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C=C(Br)CN1C[C@@H](NC(=O)c2ncn[nH]2)[C@@H](n2ccnn2)C1 ZINC001070055856 842232334 /nfs/dbraw/zinc/23/23/34/842232334.db2.gz UFEJACYRLLFAQR-ZJUUUORDSA-N 0 1 367.211 -0.040 20 30 FBEDMN C=C(Br)CN1C[C@@H](NC(=O)c2nc[nH]n2)[C@@H](n2ccnn2)C1 ZINC001070055856 842232328 /nfs/dbraw/zinc/23/23/28/842232328.db2.gz UFEJACYRLLFAQR-ZJUUUORDSA-N 0 1 367.211 -0.040 20 30 FBEDMN C#CCCN1C[C@@H](NC(=O)Cn2c(C)csc2=O)[C@@H](n2ccnn2)C1 ZINC001070092728 842239069 /nfs/dbraw/zinc/23/90/69/842239069.db2.gz PHABPJLGUQAHDB-KGLIPLIRSA-N 0 1 360.443 -0.125 20 30 FBEDMN N#CCSCC(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC001070113087 842243950 /nfs/dbraw/zinc/24/39/50/842243950.db2.gz GKBYLNDLSTYNJR-GHMZBOCLSA-N 0 1 356.404 -0.310 20 30 FBEDMN C#CCOCCC(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC001070114496 842245294 /nfs/dbraw/zinc/24/52/94/842245294.db2.gz SXYCAKDGPJSKIZ-CHWSQXEVSA-N 0 1 353.375 -0.527 20 30 FBEDMN C=CCN1CC[C@H](N[C@@H]2CN(C(=O)C(F)F)C[C@@H]2n2ccnn2)C1=O ZINC001070115909 842244600 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359.415 -0.372 20 30 FBEDMN C#CCN[C@@H]1CN(C(=O)c2coc(S(C)(=O)=O)c2)C[C@@H]1n1ccnn1 ZINC001070198000 842260427 /nfs/dbraw/zinc/26/04/27/842260427.db2.gz GWXASQKLLVIIFX-OLZOCXBDSA-N 0 1 363.399 -0.437 20 30 FBEDMN N#CCN[C@@H]1CN(C(=O)c2cc(Br)[nH]n2)C[C@@H]1n1ccnn1 ZINC001070206760 842263620 /nfs/dbraw/zinc/26/36/20/842263620.db2.gz RXDLYNKTTROBCY-ZJUUUORDSA-N 0 1 365.195 -0.057 20 30 FBEDMN C#CCN[C@@H]1CN(C(=O)[C@H]2CCCCS2(=O)=O)C[C@@H]1n1ccnn1 ZINC001070207868 842263994 /nfs/dbraw/zinc/26/39/94/842263994.db2.gz SOIKYVUUMYQHKD-HZSPNIEDSA-N 0 1 351.432 -0.780 20 30 FBEDMN C#CCN[C@@H]1CN(C(=O)[C@@H]2CCCCS2(=O)=O)C[C@@H]1n1ccnn1 ZINC001070207869 842263538 /nfs/dbraw/zinc/26/35/38/842263538.db2.gz SOIKYVUUMYQHKD-RDBSUJKOSA-N 0 1 351.432 -0.780 20 30 FBEDMN C#CCN[C@@H]1CN(C(=O)CCn2c(C)csc2=O)C[C@@H]1n1ccnn1 ZINC001070209203 842263582 /nfs/dbraw/zinc/26/35/82/842263582.db2.gz RDIYZONVSMJKDJ-KGLIPLIRSA-N 0 1 360.443 -0.125 20 30 FBEDMN C#CCN[C@@H]1CN(C(=O)CS(=O)(=O)C2CCCC2)C[C@@H]1n1ccnn1 ZINC001070217450 842264916 /nfs/dbraw/zinc/26/49/16/842264916.db2.gz FQDCZCKFLDXAGU-CABCVRRESA-N 0 1 365.459 -0.390 20 30 FBEDMN C#CCN[C@@H]1CN(C(=O)C2CC3(C2)CS(=O)(=O)C3)C[C@@H]1n1ccnn1 ZINC001070218339 842265013 /nfs/dbraw/zinc/26/50/13/842265013.db2.gz GPKQDKSGYVQCCW-KGLIPLIRSA-N 0 1 363.443 -0.922 20 30 FBEDMN C#CCN[C@@H]1CN(C(=O)c2csc(NC(C)=O)n2)C[C@@H]1n1ccnn1 ZINC001070224404 842266435 /nfs/dbraw/zinc/26/64/35/842266435.db2.gz DWEFZGKQUQQUGI-YPMHNXCESA-N 0 1 359.415 -0.019 20 30 FBEDMN C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1n1ccnn1 ZINC001070227257 842267429 /nfs/dbraw/zinc/26/74/29/842267429.db2.gz UQTNEXMFJNVYMZ-BDAKNGLRSA-N 0 1 366.769 -0.718 20 30 FBEDMN C#CCN[C@@H]1CN(C(=O)C[C@H]2CCS(=O)(=O)C2)C[C@@H]1n1ccnn1 ZINC001070228342 842267584 /nfs/dbraw/zinc/26/75/84/842267584.db2.gz VRHGJXNJNVKEEE-MCIONIFRSA-N 0 1 351.432 -0.922 20 30 FBEDMN C#CCN[C@@H]1CN(C(=O)C[C@@H]2CCS(=O)(=O)C2)C[C@@H]1n1ccnn1 ZINC001070228343 842267227 /nfs/dbraw/zinc/26/72/27/842267227.db2.gz VRHGJXNJNVKEEE-MJBXVCDLSA-N 0 1 351.432 -0.922 20 30 FBEDMN C#CCN[C@@H]1CN(C(=O)C[C@H]2CCCS2(=O)=O)C[C@@H]1n1ccnn1 ZINC001070242560 842269838 /nfs/dbraw/zinc/26/98/38/842269838.db2.gz IAPQEOZSVPOLKO-MCIONIFRSA-N 0 1 351.432 -0.780 20 30 FBEDMN C#CCN[C@@H]1CN(C(=O)C[C@@H]2CCCS2(=O)=O)C[C@@H]1n1ccnn1 ZINC001070242561 842270405 /nfs/dbraw/zinc/27/04/05/842270405.db2.gz IAPQEOZSVPOLKO-MJBXVCDLSA-N 0 1 351.432 -0.780 20 30 FBEDMN C#CCN[C@@H]1CN(C(=O)[C@@H]2CCCS(=O)(=O)C2)C[C@@H]1n1ccnn1 ZINC001070286918 842278644 /nfs/dbraw/zinc/27/86/44/842278644.db2.gz GVUJMOUZZXYHIQ-MCIONIFRSA-N 0 1 351.432 -0.922 20 30 FBEDMN C#CCN[C@@H]1CN(C(=O)[C@H]2CCCS(=O)(=O)C2)C[C@@H]1n1ccnn1 ZINC001070286919 842279340 /nfs/dbraw/zinc/27/93/40/842279340.db2.gz GVUJMOUZZXYHIQ-MJBXVCDLSA-N 0 1 351.432 -0.922 20 30 FBEDMN C#CCN[C@@H]1CN(C(=O)C2CCS(=O)(=O)CC2)C[C@@H]1n1ccnn1 ZINC001070287159 842279723 /nfs/dbraw/zinc/27/97/23/842279723.db2.gz QQPNUAKITKQZBB-KGLIPLIRSA-N 0 1 351.432 -0.922 20 30 FBEDMN C#CCN[C@@H]1CN(C(=O)c2ccc(S(C)(=O)=O)o2)C[C@@H]1n1ccnn1 ZINC001070290846 842280322 /nfs/dbraw/zinc/28/03/22/842280322.db2.gz NJJDPTWZKZUDHI-NEPJUHHUSA-N 0 1 363.399 -0.437 20 30 FBEDMN C#CCN[C@@H]1CN(C(=O)C2(S(C)(=O)=O)CCCC2)C[C@@H]1n1ccnn1 ZINC001070293985 842280812 /nfs/dbraw/zinc/28/08/12/842280812.db2.gz FPCVMXHNGXQNME-KGLIPLIRSA-N 0 1 365.459 -0.390 20 30 FBEDMN C#CCN[C@@H]1CN(C(=O)[C@]2(C)CCCS2(=O)=O)C[C@@H]1n1ccnn1 ZINC001070294914 842280425 /nfs/dbraw/zinc/28/04/25/842280425.db2.gz BDIVWMVDSZDCBQ-IPYPFGDCSA-N 0 1 351.432 -0.780 20 30 FBEDMN C#CCN[C@@H]1CN(C(=O)[C@@]2(C)CCCS2(=O)=O)C[C@@H]1n1ccnn1 ZINC001070294915 842279969 /nfs/dbraw/zinc/27/99/69/842279969.db2.gz BDIVWMVDSZDCBQ-VNHYZAJKSA-N 0 1 351.432 -0.780 20 30 FBEDMN N#CCN[C@@H]1CN(C(=O)c2n[nH]cc2Br)C[C@@H]1n1ccnn1 ZINC001070296249 842282249 /nfs/dbraw/zinc/28/22/49/842282249.db2.gz CJCSDEJOCNAWCJ-ZJUUUORDSA-N 0 1 365.195 -0.057 20 30 FBEDMN C#CCN[C@@H]1CN(C(=O)C2(S(C)(=O)=O)CCC2)C[C@@H]1n1ccnn1 ZINC001070304386 842283450 /nfs/dbraw/zinc/28/34/50/842283450.db2.gz ZZXNWFUWTBXPAG-OLZOCXBDSA-N 0 1 351.432 -0.780 20 30 FBEDMN C#CCN[C@@H]1CN(C(=O)C[C@H]2CCCS(=O)(=O)C2)C[C@@H]1n1ccnn1 ZINC001070306969 842283496 /nfs/dbraw/zinc/28/34/96/842283496.db2.gz JPPACBHCMQIHIE-KFWWJZLASA-N 0 1 365.459 -0.532 20 30 FBEDMN C#CCN[C@@H]1CN(C(=O)C[C@@H]2CCCS(=O)(=O)C2)C[C@@H]1n1ccnn1 ZINC001070306970 842282861 /nfs/dbraw/zinc/28/28/61/842282861.db2.gz JPPACBHCMQIHIE-ZNMIVQPWSA-N 0 1 365.459 -0.532 20 30 FBEDMN C=C(Cl)C[NH2+][C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@@H]1n1ccnn1 ZINC001070316848 842284678 /nfs/dbraw/zinc/28/46/78/842284678.db2.gz BDNGTJKXQHAOIS-ZJUUUORDSA-N 0 1 368.785 -0.925 20 30 FBEDMN C#CCN[C@@H]1CN(C(=O)Cn2c(C)c(C)sc2=O)C[C@@H]1n1ccnn1 ZINC001070332578 842286499 /nfs/dbraw/zinc/28/64/99/842286499.db2.gz LKKVNVDSUKBARQ-KGLIPLIRSA-N 0 1 360.443 -0.207 20 30 FBEDMN C#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C2CS(=O)(=O)C2)CC1 ZINC001070372048 842291371 /nfs/dbraw/zinc/29/13/71/842291371.db2.gz UFZGPUSZVMOZBL-ZBFHGGJFSA-N 0 1 367.471 -0.860 20 30 FBEDMN C#CCN[C@@H]1CN(C(=O)[C@@H]2CCCCS2(=O)=O)C[C@H]1c1cn(C)cn1 ZINC001070499087 842295362 /nfs/dbraw/zinc/29/53/62/842295362.db2.gz ATWITBITHPFKDH-IMJJTQAJSA-N 0 1 364.471 -0.095 20 30 FBEDMN C#CCN[C@@H]1CN(C(=O)[C@H]2CCCCS2(=O)=O)C[C@H]1c1cn(C)cn1 ZINC001070499088 842294762 /nfs/dbraw/zinc/29/47/62/842294762.db2.gz ATWITBITHPFKDH-NUEKZKHPSA-N 0 1 364.471 -0.095 20 30 FBEDMN C#CCN[C@@H]1CN(C(=O)CC2CS(=O)(=O)C2)C[C@H]1c1cn(C)cn1 ZINC001070506639 842296932 /nfs/dbraw/zinc/29/69/32/842296932.db2.gz KUJAARQHTWFJSF-DZGCQCFKSA-N 0 1 350.444 -0.628 20 30 FBEDMN C#CCN[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)C2)C[C@H]1c1cn(C)cn1 ZINC001070510523 842296629 /nfs/dbraw/zinc/29/66/29/842296629.db2.gz DJZCHOALAIKXFW-KCQAQPDRSA-N 0 1 350.444 -0.628 20 30 FBEDMN C#CCN[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)C2)C[C@H]1c1cn(C)cn1 ZINC001070510524 842296314 /nfs/dbraw/zinc/29/63/14/842296314.db2.gz 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FBEDMN C[C@H](NC(=O)N1C[C@@H]2CS(=O)(=O)C[C@@]2(C#N)C1)[C@@H]1CN(C)CCN1C ZINC001123793372 843639225 /nfs/dbraw/zinc/63/92/25/843639225.db2.gz BMBWELSVYQJXKE-KNCOVGOOSA-N 0 1 369.491 -0.800 20 30 FBEDMN C=C[C@@H]1OCCC[C@H]1C(=O)NCCNCC(=O)N[C@H](C)C(=O)N(C)C ZINC001127612946 837172264 /nfs/dbraw/zinc/17/22/64/837172264.db2.gz HXVIHUDPTBAOPP-MCIONIFRSA-N 0 1 354.451 -0.734 20 30 FBEDMN C=C[C@@H]1OCCC[C@H]1C(=O)NCCNCC(=O)N[C@@H](C)C(=O)N(C)C ZINC001127612947 837172444 /nfs/dbraw/zinc/17/24/44/837172444.db2.gz HXVIHUDPTBAOPP-MJBXVCDLSA-N 0 1 354.451 -0.734 20 30 FBEDMN Cc1nc(CN2C[C@@H](NC(=O)CSCC#N)[C@@H](n3ccnn3)C2)n[nH]1 ZINC001128723933 837708944 /nfs/dbraw/zinc/70/89/44/837708944.db2.gz MFASKGVWZVKJAR-NEPJUHHUSA-N 0 1 361.435 -0.497 20 30 FBEDMN C=CCOCCN1C[C@@H](NC(=O)CN(C)C(C)=O)[C@@H](n2ccnn2)C1 ZINC001128730185 837711573 /nfs/dbraw/zinc/71/15/73/837711573.db2.gz FSIFEEVYFFIJCK-CABCVRRESA-N 0 1 350.423 -0.700 20 30 FBEDMN C=CCOCCN1C[C@@H](NC(=O)CNC(=O)OC)[C@@H](n2ccnn2)C1 ZINC001128746983 837715818 /nfs/dbraw/zinc/71/58/18/837715818.db2.gz QTARLUUZRKLUEO-OLZOCXBDSA-N 0 1 352.395 -0.822 20 30 FBEDMN C=CCOCCN1C[C@@H](NC(=O)CNC(=O)CC)[C@@H](n2ccnn2)C1 ZINC001128838827 837731055 /nfs/dbraw/zinc/73/10/55/837731055.db2.gz PDKLMJWXVKYNTE-KGLIPLIRSA-N 0 1 350.423 -0.652 20 30 FBEDMN C#CCNC(=O)CC(=O)N[C@@H]1CN(CC[C@@H](C)F)C[C@@H]1n1ccnn1 ZINC001128903148 837736032 /nfs/dbraw/zinc/73/60/32/837736032.db2.gz IOSSBCQCFVYHCI-MCIONIFRSA-N 0 1 350.398 -0.493 20 30 FBEDMN C#CCNC(=O)CC(=O)N[C@@H]1CN(CC[C@H](C)F)C[C@@H]1n1ccnn1 ZINC001128903149 837736066 /nfs/dbraw/zinc/73/60/66/837736066.db2.gz IOSSBCQCFVYHCI-MJBXVCDLSA-N 0 1 350.398 -0.493 20 30 FBEDMN C=CCOCCN1C[C@@H](NC(=O)CC(=O)NCC)[C@@H](n2ccnn2)C1 ZINC001128907786 837735215 /nfs/dbraw/zinc/73/52/15/837735215.db2.gz HCWOCNLBNZPRQP-KGLIPLIRSA-N 0 1 350.423 -0.652 20 30 FBEDMN C=CCCN1C[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)CC)[C@@H](n2ccnn2)C1 ZINC001129003826 837748497 /nfs/dbraw/zinc/74/84/97/837748497.db2.gz IUKREVQEBFPMFJ-MCIONIFRSA-N 0 1 370.479 -0.477 20 30 FBEDMN C=CCCN1C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)CC)[C@@H](n2ccnn2)C1 ZINC001129003827 837748654 /nfs/dbraw/zinc/74/86/54/837748654.db2.gz IUKREVQEBFPMFJ-MJBXVCDLSA-N 0 1 370.479 -0.477 20 30 FBEDMN C=CCCN1C[C@@H](NC(=O)[C@@H](C)NC(=O)COC)[C@@H](n2ccnn2)C1 ZINC001129009567 837749863 /nfs/dbraw/zinc/74/98/63/837749863.db2.gz GSQMIROVJZLPFV-MCIONIFRSA-N 0 1 350.423 -0.653 20 30 FBEDMN C=CCCN1C[C@@H](NC(=O)[C@H](C)NC(=O)COC)[C@@H](n2ccnn2)C1 ZINC001129009568 837750140 /nfs/dbraw/zinc/75/01/40/837750140.db2.gz GSQMIROVJZLPFV-MJBXVCDLSA-N 0 1 350.423 -0.653 20 30 FBEDMN C=C(C)CCN1C[C@@H](NC(=O)C(=O)NCC(F)F)[C@@H](n2ccnn2)C1 ZINC001129084608 837761126 /nfs/dbraw/zinc/76/11/26/837761126.db2.gz PGZARPQHHIFJEE-NEPJUHHUSA-N 0 1 356.377 -0.033 20 30 FBEDMN C=CCCCN1C[C@@H](NC(=O)C(=O)NCC(F)F)[C@@H](n2ccnn2)C1 ZINC001129084819 837760506 /nfs/dbraw/zinc/76/05/06/837760506.db2.gz ZZMJXJKPLNQGQP-NEPJUHHUSA-N 0 1 356.377 -0.033 20 30 FBEDMN C=CCCN1C[C@@H](NC(=O)[C@@H](CCC)S(N)(=O)=O)[C@@H](n2ccnn2)C1 ZINC001129133804 837763455 /nfs/dbraw/zinc/76/34/55/837763455.db2.gz MHNBMOQNVNABEO-HZSPNIEDSA-N 0 1 370.479 -0.347 20 30 FBEDMN C=CCCN1C[C@@H](NC(=O)[C@H](CCC)S(N)(=O)=O)[C@@H](n2ccnn2)C1 ZINC001129133805 837763711 /nfs/dbraw/zinc/76/37/11/837763711.db2.gz MHNBMOQNVNABEO-RDBSUJKOSA-N 0 1 370.479 -0.347 20 30 FBEDMN C=CCOCCN1C[C@@H](NC(=O)[C@H](C)CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001129153876 837766099 /nfs/dbraw/zinc/76/60/99/837766099.db2.gz IOEVNRYFZMWFGP-MCIONIFRSA-N 0 1 350.423 -0.666 20 30 FBEDMN C=CCOCCN1C[C@@H](NC(=O)[C@@H](C)CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001129153882 837766826 /nfs/dbraw/zinc/76/68/26/837766826.db2.gz IOEVNRYFZMWFGP-MJBXVCDLSA-N 0 1 350.423 -0.666 20 30 FBEDMN C=CCCN1C[C@@H](NC(=O)[C@@H](C)NS(C)(=O)=O)[C@@H](n2ccnn2)C1 ZINC001129283954 837804985 /nfs/dbraw/zinc/80/49/85/837804985.db2.gz DVFVICFRPHPIMR-UPJWGTAASA-N 0 1 356.452 -0.867 20 30 FBEDMN C=CCCN1C[C@@H](NC(=O)[C@H](C)NS(C)(=O)=O)[C@@H](n2ccnn2)C1 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RMWXJOYGZHKCJR-KGLIPLIRSA-N 0 1 370.479 -0.523 20 30 FBEDMN C=C(C)CCN1C[C@@H](NC(=O)CS(=O)(=O)NC)[C@@H](n2ccnn2)C1 ZINC001129438067 839504983 /nfs/dbraw/zinc/50/49/83/839504983.db2.gz MWDXCVHUDDYRHV-OLZOCXBDSA-N 0 1 356.452 -0.865 20 30 FBEDMN C=CCCCN1C[C@@H](NC(=O)CS(=O)(=O)NC)[C@@H](n2ccnn2)C1 ZINC001129445366 839502607 /nfs/dbraw/zinc/50/26/07/839502607.db2.gz JWOXIYQQOYHFHZ-OLZOCXBDSA-N 0 1 356.452 -0.865 20 30 FBEDMN C=CCCOCC(=O)N[C@@H]1CN(C[C@@H](O)COC)C[C@@H]1n1ccnn1 ZINC001129477045 839505932 /nfs/dbraw/zinc/50/59/32/839505932.db2.gz XARCRIACJOUMIU-KFWWJZLASA-N 0 1 353.423 -0.780 20 30 FBEDMN C=CCCOCC(=O)N[C@@H]1CN(C[C@H](O)COC)C[C@@H]1n1ccnn1 ZINC001129477046 839505899 /nfs/dbraw/zinc/50/58/99/839505899.db2.gz XARCRIACJOUMIU-ZNMIVQPWSA-N 0 1 353.423 -0.780 20 30 FBEDMN C=CCOCCN1C[C@@H](NC(=O)CCCC(N)=O)[C@@H](n2ccnn2)C1 ZINC001129484926 839510688 /nfs/dbraw/zinc/51/06/88/839510688.db2.gz PXEPIRLCMVXECV-KGLIPLIRSA-N 0 1 350.423 -0.522 20 30 FBEDMN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)C(C)(F)F)C[C@@H]1n1ccnn1 ZINC001129521442 839513430 /nfs/dbraw/zinc/51/34/30/839513430.db2.gz GWHRBQSMGISHKO-TUAOUCFPSA-N 0 1 354.361 -0.587 20 30 FBEDMN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)C(C)(F)F)C[C@@H]1n1ccnn1 ZINC001129521443 839513278 /nfs/dbraw/zinc/51/32/78/839513278.db2.gz GWHRBQSMGISHKO-UTUOFQBUSA-N 0 1 354.361 -0.587 20 30 FBEDMN C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)C(C)(F)F)C[C@@H]1n1ccnn1 ZINC001129521924 839513921 /nfs/dbraw/zinc/51/39/21/839513921.db2.gz XPLBKDWJYRSLFV-TUAOUCFPSA-N 0 1 356.377 -0.035 20 30 FBEDMN C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)C(C)(F)F)C[C@@H]1n1ccnn1 ZINC001129521925 839513024 /nfs/dbraw/zinc/51/30/24/839513024.db2.gz XPLBKDWJYRSLFV-UTUOFQBUSA-N 0 1 356.377 -0.035 20 30 FBEDMN C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CCOC)C[C@@H]1n1ccnn1 ZINC001129525780 839511733 /nfs/dbraw/zinc/51/17/33/839511733.db2.gz PTOYMFJVNNKRJA-MCIONIFRSA-N 0 1 350.423 -0.653 20 30 FBEDMN C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CCOC)C[C@@H]1n1ccnn1 ZINC001129525781 839512021 /nfs/dbraw/zinc/51/20/21/839512021.db2.gz PTOYMFJVNNKRJA-MJBXVCDLSA-N 0 1 350.423 -0.653 20 30 FBEDMN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)C(C)(C)F)C[C@@H]1n1ccnn1 ZINC001129526011 839511846 /nfs/dbraw/zinc/51/18/46/839511846.db2.gz WEZYVLJANGAHQL-UPJWGTAASA-N 0 1 350.398 -0.494 20 30 FBEDMN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)C(C)(C)F)C[C@@H]1n1ccnn1 ZINC001129526012 839511950 /nfs/dbraw/zinc/51/19/50/839511950.db2.gz WEZYVLJANGAHQL-XQQFMLRXSA-N 0 1 350.398 -0.494 20 30 FBEDMN N#CCNC(=O)CN[C@@H]1CN(C(=O)c2cccs2)C[C@@H]1n1ccnn1 ZINC001129537356 839517533 /nfs/dbraw/zinc/51/75/33/839517533.db2.gz VIWLLMPLAVDTBT-NEPJUHHUSA-N 0 1 359.415 -0.365 20 30 FBEDMN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cccs2)C[C@@H]1n1ccnn1 ZINC001129537549 839517176 /nfs/dbraw/zinc/51/71/76/839517176.db2.gz ZNVVUJCLPJABNV-OLZOCXBDSA-N 0 1 358.427 -0.256 20 30 FBEDMN C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CSC)C[C@@H]1n1ccnn1 ZINC001129547736 839514442 /nfs/dbraw/zinc/51/44/42/839514442.db2.gz KHTXITLUAWHQKT-UPJWGTAASA-N 0 1 352.464 -0.327 20 30 FBEDMN C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CSC)C[C@@H]1n1ccnn1 ZINC001129547737 839514727 /nfs/dbraw/zinc/51/47/27/839514727.db2.gz KHTXITLUAWHQKT-XQQFMLRXSA-N 0 1 352.464 -0.327 20 30 FBEDMN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CSC)C[C@@H]1n1ccnn1 ZINC001129547840 839514412 /nfs/dbraw/zinc/51/44/12/839514412.db2.gz OXWIBNBXFYPMGU-UPJWGTAASA-N 0 1 350.448 -0.880 20 30 FBEDMN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CSC)C[C@@H]1n1ccnn1 ZINC001129547841 839514766 /nfs/dbraw/zinc/51/47/66/839514766.db2.gz OXWIBNBXFYPMGU-XQQFMLRXSA-N 0 1 350.448 -0.880 20 30 FBEDMN C=CCNC(=O)CN[C@@H]1CN(C(=O)CCSC)C[C@@H]1n1ccnn1 ZINC001129553098 839515880 /nfs/dbraw/zinc/51/58/80/839515880.db2.gz PBXCEYYLFLYMEF-OLZOCXBDSA-N 0 1 352.464 -0.325 20 30 FBEDMN C#CCNC(=O)CN[C@@H]1CN(C(=O)CCSC)C[C@@H]1n1ccnn1 ZINC001129553208 839515803 /nfs/dbraw/zinc/51/58/03/839515803.db2.gz UPVKXDJPNCLDII-OLZOCXBDSA-N 0 1 350.448 -0.878 20 30 FBEDMN CSCCC(=O)N1C[C@@H](NCC(=O)NCC#N)[C@@H](n2ccnn2)C1 ZINC001129553251 839515692 /nfs/dbraw/zinc/51/56/92/839515692.db2.gz WJFZKASWMYLQGN-NEPJUHHUSA-N 0 1 351.436 -0.988 20 30 FBEDMN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CCSC)C[C@@H]1n1ccnn1 ZINC001129556029 839516221 /nfs/dbraw/zinc/51/62/21/839516221.db2.gz FHTOKHHMIVXCBH-MCIONIFRSA-N 0 1 364.475 -0.489 20 30 FBEDMN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CCSC)C[C@@H]1n1ccnn1 ZINC001129556030 839515977 /nfs/dbraw/zinc/51/59/77/839515977.db2.gz FHTOKHHMIVXCBH-MJBXVCDLSA-N 0 1 364.475 -0.489 20 30 FBEDMN N#CCNC(=O)CN[C@@H]1CN(C(=O)c2ccsc2)C[C@@H]1n1ccnn1 ZINC001129559124 839520113 /nfs/dbraw/zinc/52/01/13/839520113.db2.gz NVLOJNPOGBTANZ-OLZOCXBDSA-N 0 1 359.415 -0.365 20 30 FBEDMN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2ccsc2)C[C@@H]1n1ccnn1 ZINC001129559233 839519582 /nfs/dbraw/zinc/51/95/82/839519582.db2.gz UEULLHLMSBVMET-KGLIPLIRSA-N 0 1 358.427 -0.256 20 30 FBEDMN COCC#CCN[C@@H]1CN(C(=O)c2snnc2C)C[C@@H]1n1ccnn1 ZINC001129564841 839518192 /nfs/dbraw/zinc/51/81/92/839518192.db2.gz JRFFXHPGQBALPU-OLZOCXBDSA-N 0 1 361.431 -0.257 20 30 FBEDMN C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)COCC)C[C@@H]1n1ccnn1 ZINC001129565037 839518539 /nfs/dbraw/zinc/51/85/39/839518539.db2.gz NPPIIYLLLBBPEW-MCIONIFRSA-N 0 1 350.423 -0.653 20 30 FBEDMN C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)COCC)C[C@@H]1n1ccnn1 ZINC001129565038 839518326 /nfs/dbraw/zinc/51/83/26/839518326.db2.gz NPPIIYLLLBBPEW-MJBXVCDLSA-N 0 1 350.423 -0.653 20 30 FBEDMN CC(C)SCC(=O)N1C[C@@H](NCC(=O)NCC#N)[C@@H](n2ccnn2)C1 ZINC001129589740 839522977 /nfs/dbraw/zinc/52/29/77/839522977.db2.gz VPHUROLXPXTZSS-OLZOCXBDSA-N 0 1 365.463 -0.599 20 30 FBEDMN C[C@@H](N[C@@H]1CN(C(=O)CSCC#N)C[C@@H]1n1ccnn1)C(=O)N(C)C ZINC001129603575 839520319 /nfs/dbraw/zinc/52/03/19/839520319.db2.gz BYNLDRFETDSVCA-UPJWGTAASA-N 0 1 365.463 -0.647 20 30 FBEDMN C[C@H](N[C@@H]1CN(C(=O)CSCC#N)C[C@@H]1n1ccnn1)C(=O)N(C)C ZINC001129603578 839520061 /nfs/dbraw/zinc/52/00/61/839520061.db2.gz BYNLDRFETDSVCA-XQQFMLRXSA-N 0 1 365.463 -0.647 20 30 FBEDMN CN1CC[C@@H](N[C@@H]2CN(C(=O)CSCC#N)C[C@@H]2n2ccnn2)C1=O ZINC001129603597 839520339 /nfs/dbraw/zinc/52/03/39/839520339.db2.gz CIHLAYILWYDSEU-UPJWGTAASA-N 0 1 363.447 -0.893 20 30 FBEDMN CN1CC[C@H](N[C@@H]2CN(C(=O)CSCC#N)C[C@@H]2n2ccnn2)C1=O ZINC001129603598 839520383 /nfs/dbraw/zinc/52/03/83/839520383.db2.gz CIHLAYILWYDSEU-XQQFMLRXSA-N 0 1 363.447 -0.893 20 30 FBEDMN C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H](C)SC)C[C@@H]1n1ccnn1 ZINC001129603639 839519873 /nfs/dbraw/zinc/51/98/73/839519873.db2.gz CXGAPNCMCPJQJA-UPJWGTAASA-N 0 1 350.448 -0.880 20 30 FBEDMN C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@H](C)SC)C[C@@H]1n1ccnn1 ZINC001129603640 839520135 /nfs/dbraw/zinc/52/01/35/839520135.db2.gz CXGAPNCMCPJQJA-XQQFMLRXSA-N 0 1 350.448 -0.880 20 30 FBEDMN CNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CSCC#N)C[C@@H]1n1ccnn1 ZINC001129603752 839519856 /nfs/dbraw/zinc/51/98/56/839519856.db2.gz ISFHORKPLNMHGU-TUAOUCFPSA-N 0 1 351.436 -0.989 20 30 FBEDMN CNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CSCC#N)C[C@@H]1n1ccnn1 ZINC001129603753 839519362 /nfs/dbraw/zinc/51/93/62/839519362.db2.gz ISFHORKPLNMHGU-UTUOFQBUSA-N 0 1 351.436 -0.989 20 30 FBEDMN Cc1nc(CN[C@@H]2CN(C(=O)CSCC#N)C[C@@H]2n2ccnn2)n[nH]1 ZINC001129603759 839520079 /nfs/dbraw/zinc/52/00/79/839520079.db2.gz JDTRPRMETAFSIE-NEPJUHHUSA-N 0 1 361.435 -0.497 20 30 FBEDMN CC[C@H](N[C@@H]1CN(C(=O)CSCC#N)C[C@@H]1n1ccnn1)C(N)=O ZINC001129603790 839519659 /nfs/dbraw/zinc/51/96/59/839519659.db2.gz KMXLDIQSDBIIDJ-TUAOUCFPSA-N 0 1 351.436 -0.860 20 30 FBEDMN CC[C@@H](N[C@@H]1CN(C(=O)CSCC#N)C[C@@H]1n1ccnn1)C(N)=O ZINC001129603791 839520228 /nfs/dbraw/zinc/52/02/28/839520228.db2.gz KMXLDIQSDBIIDJ-UTUOFQBUSA-N 0 1 351.436 -0.860 20 30 FBEDMN N#CCSCC(=O)N1C[C@@H](N[C@@H]2CCCNC2=O)[C@@H](n2ccnn2)C1 ZINC001129603950 839520794 /nfs/dbraw/zinc/52/07/94/839520794.db2.gz QTFSNWCQSBHGMP-UPJWGTAASA-N 0 1 363.447 -0.845 20 30 FBEDMN N#CCSCC(=O)N1C[C@@H](N[C@H]2CCCNC2=O)[C@@H](n2ccnn2)C1 ZINC001129603951 839521397 /nfs/dbraw/zinc/52/13/97/839521397.db2.gz QTFSNWCQSBHGMP-XQQFMLRXSA-N 0 1 363.447 -0.845 20 30 FBEDMN C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H](C)SC)C[C@@H]1n1ccnn1 ZINC001129604021 839521150 /nfs/dbraw/zinc/52/11/50/839521150.db2.gz UOTRYVDYGJFHTC-UPJWGTAASA-N 0 1 352.464 -0.327 20 30 FBEDMN C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@H](C)SC)C[C@@H]1n1ccnn1 ZINC001129604022 839520771 /nfs/dbraw/zinc/52/07/71/839520771.db2.gz UOTRYVDYGJFHTC-XQQFMLRXSA-N 0 1 352.464 -0.327 20 30 FBEDMN CS[C@@H](C)C(=O)N1C[C@@H](NCC(=O)NCC#N)[C@@H](n2ccnn2)C1 ZINC001129604112 839521134 /nfs/dbraw/zinc/52/11/34/839521134.db2.gz XDHXPDDOZNBKLC-TUAOUCFPSA-N 0 1 351.436 -0.989 20 30 FBEDMN CS[C@H](C)C(=O)N1C[C@@H](NCC(=O)NCC#N)[C@@H](n2ccnn2)C1 ZINC001129604113 839521442 /nfs/dbraw/zinc/52/14/42/839521442.db2.gz XDHXPDDOZNBKLC-UTUOFQBUSA-N 0 1 351.436 -0.989 20 30 FBEDMN CCCNC(=O)CN[C@@H]1CN(C(=O)CSCC#N)C[C@@H]1n1ccnn1 ZINC001129604180 839521039 /nfs/dbraw/zinc/52/10/39/839521039.db2.gz ZOFSHGHKBXJWID-OLZOCXBDSA-N 0 1 365.463 -0.597 20 30 FBEDMN CC(C)NC(=O)CN[C@@H]1CN(C(=O)CSCC#N)C[C@@H]1n1ccnn1 ZINC001129607860 839521371 /nfs/dbraw/zinc/52/13/71/839521371.db2.gz FLPRYDDSAYBKLP-OLZOCXBDSA-N 0 1 365.463 -0.599 20 30 FBEDMN C#CCNC(=O)CN[C@@H]1CN(C(=O)CSC(C)C)C[C@@H]1n1ccnn1 ZINC001129607925 839520927 /nfs/dbraw/zinc/52/09/27/839520927.db2.gz FYLIVQXBYRCRBU-KGLIPLIRSA-N 0 1 364.475 -0.489 20 30 FBEDMN CCNC(=O)CN[C@@H]1CN(C(=O)CSCC#N)C[C@@H]1n1ccnn1 ZINC001129607950 839521756 /nfs/dbraw/zinc/52/17/56/839521756.db2.gz GGENIXKMQFJTAH-NEPJUHHUSA-N 0 1 351.436 -0.988 20 30 FBEDMN N#CCSCC(=O)N1C[C@@H](NCC(=O)NC2CC2)[C@@H](n2ccnn2)C1 ZINC001129607985 839521861 /nfs/dbraw/zinc/52/18/61/839521861.db2.gz HBGJCORYCVLBTQ-OLZOCXBDSA-N 0 1 363.447 -0.845 20 30 FBEDMN Cn1nccc1CN[C@@H]1CN(C(=O)CSCC#N)C[C@@H]1n1ccnn1 ZINC001129608020 839521190 /nfs/dbraw/zinc/52/11/90/839521190.db2.gz HSTNBBJENNXDDE-KGLIPLIRSA-N 0 1 360.447 -0.190 20 30 FBEDMN C=CCNC(=O)CN[C@@H]1CN(C(=O)CSCC#N)C[C@@H]1n1ccnn1 ZINC001129608135 839522299 /nfs/dbraw/zinc/52/22/99/839522299.db2.gz MLOHGIVCAZAPMF-OLZOCXBDSA-N 0 1 363.447 -0.821 20 30 FBEDMN Cn1cncc1CN[C@@H]1CN(C(=O)CSCC#N)C[C@@H]1n1ccnn1 ZINC001129608140 839523047 /nfs/dbraw/zinc/52/30/47/839523047.db2.gz MOWMEZSXCZUSIT-KGLIPLIRSA-N 0 1 360.447 -0.190 20 30 FBEDMN Cn1cc(CN[C@@H]2CN(C(=O)CSCC#N)C[C@@H]2n2ccnn2)cn1 ZINC001129608202 839523072 /nfs/dbraw/zinc/52/30/72/839523072.db2.gz NSZZIXUNFZNLAN-KGLIPLIRSA-N 0 1 360.447 -0.190 20 30 FBEDMN N#CCSCC(=O)N1C[C@@H](NCC(=O)N2CCC2)[C@@H](n2ccnn2)C1 ZINC001129608441 839522706 /nfs/dbraw/zinc/52/27/06/839522706.db2.gz QDJYHOUOGATCPY-OLZOCXBDSA-N 0 1 363.447 -0.891 20 30 FBEDMN C=CCNC(=O)CN[C@@H]1CN(C(=O)c2cnns2)C[C@@H]1n1ccnn1 ZINC001129608456 839522812 /nfs/dbraw/zinc/52/28/12/839522812.db2.gz RBPQINBXYMFTKU-MNOVXSKESA-N 0 1 362.419 -0.913 20 30 FBEDMN CCN(C)C(=O)CN[C@@H]1CN(C(=O)CSCC#N)C[C@@H]1n1ccnn1 ZINC001129608652 839522852 /nfs/dbraw/zinc/52/28/52/839522852.db2.gz VPNHTYZABUNHNY-OLZOCXBDSA-N 0 1 365.463 -0.645 20 30 FBEDMN C=CCNC(=O)CN[C@@H]1CN(C(=O)c2cnsn2)C[C@@H]1n1ccnn1 ZINC001129612649 839527652 /nfs/dbraw/zinc/52/76/52/839527652.db2.gz AFCFCJKHZRZGON-NEPJUHHUSA-N 0 1 362.419 -0.913 20 30 FBEDMN C#CCNC(=O)CN[C@@H]1CN(C(=O)CCSCC)C[C@@H]1n1ccnn1 ZINC001129612757 839527008 /nfs/dbraw/zinc/52/70/08/839527008.db2.gz CDCQULZEEIXMMV-KGLIPLIRSA-N 0 1 364.475 -0.488 20 30 FBEDMN CCSCCC(=O)N1C[C@@H](NCC(=O)NCC#N)[C@@H](n2ccnn2)C1 ZINC001129613509 839524177 /nfs/dbraw/zinc/52/41/77/839524177.db2.gz UWODSHYFPHUWCZ-OLZOCXBDSA-N 0 1 365.463 -0.597 20 30 FBEDMN C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H](C)OCC)C[C@@H]1n1ccnn1 ZINC001129617588 839524027 /nfs/dbraw/zinc/52/40/27/839524027.db2.gz DGBSKLPEGRIWHM-MCIONIFRSA-N 0 1 350.423 -0.653 20 30 FBEDMN C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@H](C)OCC)C[C@@H]1n1ccnn1 ZINC001129617589 839524115 /nfs/dbraw/zinc/52/41/15/839524115.db2.gz DGBSKLPEGRIWHM-MJBXVCDLSA-N 0 1 350.423 -0.653 20 30 FBEDMN N#CCNC(=O)CN[C@@H]1CN(C(=O)c2cncs2)C[C@@H]1n1ccnn1 ZINC001129623952 839525369 /nfs/dbraw/zinc/52/53/69/839525369.db2.gz CNIMUJZJDOKYNR-MNOVXSKESA-N 0 1 360.403 -0.970 20 30 FBEDMN C=CCNC(=O)CN[C@@H]1CN(C(=O)c2cncs2)C[C@@H]1n1ccnn1 ZINC001129624171 839525489 /nfs/dbraw/zinc/52/54/89/839525489.db2.gz GMNFBFZBNRIXOA-NEPJUHHUSA-N 0 1 361.431 -0.308 20 30 FBEDMN CCCSCC(=O)N1C[C@@H](NCC(=O)NCC#N)[C@@H](n2ccnn2)C1 ZINC001129633084 839526454 /nfs/dbraw/zinc/52/64/54/839526454.db2.gz DGILDQMPYNYYFA-OLZOCXBDSA-N 0 1 365.463 -0.597 20 30 FBEDMN C#CCNC(=O)CN[C@@H]1CN(C(=O)CSCCC)C[C@@H]1n1ccnn1 ZINC001129633238 839526565 /nfs/dbraw/zinc/52/65/65/839526565.db2.gz HSPYFEGESOOFRQ-KGLIPLIRSA-N 0 1 364.475 -0.488 20 30 FBEDMN C#CCNC(=O)CN[C@@H]1CN(C(=O)CC(F)(F)F)C[C@@H]1n1ccnn1 ZINC001129637805 839526072 /nfs/dbraw/zinc/52/60/72/839526072.db2.gz JBGLXIGPMCSMLE-MNOVXSKESA-N 0 1 358.324 -0.679 20 30 FBEDMN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cncs2)C[C@@H]1n1ccnn1 ZINC001129637882 839526416 /nfs/dbraw/zinc/52/64/16/839526416.db2.gz LGXAKYGQADYPCT-NEPJUHHUSA-N 0 1 359.415 -0.861 20 30 FBEDMN N#CCNC(=O)CN[C@@H]1CN(C(=O)CC(F)(F)F)C[C@@H]1n1ccnn1 ZINC001129650506 839529778 /nfs/dbraw/zinc/52/97/78/839529778.db2.gz IXYNRSMTQNPNLM-ZJUUUORDSA-N 0 1 359.312 -0.788 20 30 FBEDMN C=CCNC(=O)CN[C@@H]1CN(C(=O)CC(F)(F)F)C[C@@H]1n1ccnn1 ZINC001129651208 839529748 /nfs/dbraw/zinc/52/97/48/839529748.db2.gz PSMRTVCEUGQQQH-MNOVXSKESA-N 0 1 360.340 -0.126 20 30 FBEDMN C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H](CC)OC)C[C@@H]1n1ccnn1 ZINC001129657108 839531980 /nfs/dbraw/zinc/53/19/80/839531980.db2.gz YPWUSZGTFXIJSG-HZSPNIEDSA-N 0 1 350.423 -0.653 20 30 FBEDMN C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@H](CC)OC)C[C@@H]1n1ccnn1 ZINC001129657111 839531706 /nfs/dbraw/zinc/53/17/06/839531706.db2.gz YPWUSZGTFXIJSG-RDBSUJKOSA-N 0 1 350.423 -0.653 20 30 FBEDMN C=CCNC(=O)CN[C@@H]1CN(C(=O)COC(C)C)C[C@@H]1n1ccnn1 ZINC001129664703 839528426 /nfs/dbraw/zinc/52/84/26/839528426.db2.gz NZWDPRJJMYFSFW-KGLIPLIRSA-N 0 1 350.423 -0.653 20 30 FBEDMN C=CCNC(=O)CN[C@@H]1CN(C(=O)CCCOC)C[C@@H]1n1ccnn1 ZINC001129664928 839529148 /nfs/dbraw/zinc/52/91/48/839529148.db2.gz WZCZZTRHDYFIKP-KGLIPLIRSA-N 0 1 350.423 -0.652 20 30 FBEDMN C=CCCC(=O)N1C[C@@H](NCCN(C)S(C)(=O)=O)[C@@H](n2ccnn2)C1 ZINC001129666906 839528910 /nfs/dbraw/zinc/52/89/10/839528910.db2.gz MCLRKQLGWQCBDT-KGLIPLIRSA-N 0 1 370.479 -0.523 20 30 FBEDMN C=CCCC(=O)N1C[C@@H](NCCNS(=O)(=O)CC)[C@@H](n2ccnn2)C1 ZINC001129671095 839528955 /nfs/dbraw/zinc/52/89/55/839528955.db2.gz FQCKYOCVQCEQBA-KGLIPLIRSA-N 0 1 370.479 -0.475 20 30 FBEDMN C=CCCC(=O)N1C[C@@H](NCCNS(C)(=O)=O)[C@@H](n2ccnn2)C1 ZINC001129671280 839528699 /nfs/dbraw/zinc/52/86/99/839528699.db2.gz MDPSQLGEESDPKI-OLZOCXBDSA-N 0 1 356.452 -0.865 20 30 FBEDMN C=CCNC(=O)CN[C@@H]1CN(C(=O)C[C@@H](C)OC)C[C@@H]1n1ccnn1 ZINC001129671603 839528489 /nfs/dbraw/zinc/52/84/89/839528489.db2.gz VITXQXLGQQZFOD-MCIONIFRSA-N 0 1 350.423 -0.653 20 30 FBEDMN C=CCNC(=O)CN[C@@H]1CN(C(=O)C[C@H](C)OC)C[C@@H]1n1ccnn1 ZINC001129671604 839528563 /nfs/dbraw/zinc/52/85/63/839528563.db2.gz VITXQXLGQQZFOD-MJBXVCDLSA-N 0 1 350.423 -0.653 20 30 FBEDMN N#CCNC(=O)CN[C@@H]1CN(C(=O)c2cscn2)C[C@@H]1n1ccnn1 ZINC001129674929 839535033 /nfs/dbraw/zinc/53/50/33/839535033.db2.gz ASAGYQVJZUGHRH-PWSUYJOCSA-N 0 1 360.403 -0.970 20 30 FBEDMN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cscn2)C[C@@H]1n1ccnn1 ZINC001129674961 839535267 /nfs/dbraw/zinc/53/52/67/839535267.db2.gz BXRNTBBQRDEONH-YPMHNXCESA-N 0 1 359.415 -0.861 20 30 FBEDMN C=CCNC(=O)CN[C@@H]1CN(C(=O)CCOCC)C[C@@H]1n1ccnn1 ZINC001129675067 839534877 /nfs/dbraw/zinc/53/48/77/839534877.db2.gz FYLRCRSEFZGAOR-KGLIPLIRSA-N 0 1 350.423 -0.652 20 30 FBEDMN C=CCNC(=O)CN[C@@H]1CN(C(=O)c2cscn2)C[C@@H]1n1ccnn1 ZINC001129675093 839535246 /nfs/dbraw/zinc/53/52/46/839535246.db2.gz HEZHOVUQLFXGIX-YPMHNXCESA-N 0 1 361.431 -0.308 20 30 FBEDMN C=CCCO[C@H](C)C(=O)N1C[C@@H](NCC(=O)NC)[C@@H](n2ccnn2)C1 ZINC001129675699 839535659 /nfs/dbraw/zinc/53/56/59/839535659.db2.gz WEYYZMRVTLHFRF-MCIONIFRSA-N 0 1 350.423 -0.653 20 30 FBEDMN C=CCCO[C@@H](C)C(=O)N1C[C@@H](NCC(=O)NC)[C@@H](n2ccnn2)C1 ZINC001129675701 839535206 /nfs/dbraw/zinc/53/52/06/839535206.db2.gz WEYYZMRVTLHFRF-MJBXVCDLSA-N 0 1 350.423 -0.653 20 30 FBEDMN C=CCOCC(=O)N1C[C@@H](NCC(=O)N(C)CC)[C@@H](n2ccnn2)C1 ZINC001129678058 839536946 /nfs/dbraw/zinc/53/69/46/839536946.db2.gz TWYHPAOKNHYCLG-KGLIPLIRSA-N 0 1 350.423 -0.700 20 30 FBEDMN C=CCOCC(=O)N1C[C@@H](NCC(=O)NCCC)[C@@H](n2ccnn2)C1 ZINC001129681056 839531990 /nfs/dbraw/zinc/53/19/90/839531990.db2.gz KBYSGJFOAAGPBI-KGLIPLIRSA-N 0 1 350.423 -0.652 20 30 FBEDMN C=CCOCC(=O)N1C[C@@H](NCC(=O)NC(C)C)[C@@H](n2ccnn2)C1 ZINC001129681518 839531722 /nfs/dbraw/zinc/53/17/22/839531722.db2.gz SMAFYUFJJWCQAU-KGLIPLIRSA-N 0 1 350.423 -0.653 20 30 FBEDMN C=CCOCC(=O)N1C[C@@H](N[C@H](C)C(=O)N(C)C)[C@@H](n2ccnn2)C1 ZINC001129681589 839530968 /nfs/dbraw/zinc/53/09/68/839530968.db2.gz VEUBJLBTWLZRPQ-MCIONIFRSA-N 0 1 350.423 -0.701 20 30 FBEDMN C=CCOCC(=O)N1C[C@@H](N[C@@H](C)C(=O)N(C)C)[C@@H](n2ccnn2)C1 ZINC001129681590 839531800 /nfs/dbraw/zinc/53/18/00/839531800.db2.gz VEUBJLBTWLZRPQ-MJBXVCDLSA-N 0 1 350.423 -0.701 20 30 FBEDMN C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@H](C)COC)C[C@@H]1n1ccnn1 ZINC001129681714 839531750 /nfs/dbraw/zinc/53/17/50/839531750.db2.gz WQTKEAHNLGABSP-MCIONIFRSA-N 0 1 350.423 -0.796 20 30 FBEDMN C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H](C)COC)C[C@@H]1n1ccnn1 ZINC001129681715 839531829 /nfs/dbraw/zinc/53/18/29/839531829.db2.gz WQTKEAHNLGABSP-MJBXVCDLSA-N 0 1 350.423 -0.796 20 30 FBEDMN C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@H](C)CSC)C[C@@H]1n1ccnn1 ZINC001129683935 839531685 /nfs/dbraw/zinc/53/16/85/839531685.db2.gz CVDOFWWFDIKYNP-MCIONIFRSA-N 0 1 364.475 -0.632 20 30 FBEDMN C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H](C)CSC)C[C@@H]1n1ccnn1 ZINC001129683936 839531304 /nfs/dbraw/zinc/53/13/04/839531304.db2.gz CVDOFWWFDIKYNP-MJBXVCDLSA-N 0 1 364.475 -0.632 20 30 FBEDMN C=CCNC(=O)CN[C@@H]1CN(C(=O)COCCC)C[C@@H]1n1ccnn1 ZINC001129696059 839533156 /nfs/dbraw/zinc/53/31/56/839533156.db2.gz LAEWHIUVIXRFNI-KGLIPLIRSA-N 0 1 350.423 -0.652 20 30 FBEDMN C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@H](C)CSC)C[C@@H]1n1ccnn1 ZINC001129703896 839534767 /nfs/dbraw/zinc/53/47/67/839534767.db2.gz NJPUIPOWCMJKRJ-MCIONIFRSA-N 0 1 366.491 -0.079 20 30 FBEDMN C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H](C)CSC)C[C@@H]1n1ccnn1 ZINC001129703897 839535508 /nfs/dbraw/zinc/53/55/08/839535508.db2.gz NJPUIPOWCMJKRJ-MJBXVCDLSA-N 0 1 366.491 -0.079 20 30 FBEDMN CSC[C@@H](C)C(=O)N1C[C@@H](NCC(=O)NCC#N)[C@@H](n2ccnn2)C1 ZINC001129704329 839535535 /nfs/dbraw/zinc/53/55/35/839535535.db2.gz YAKDRAXBGPYQER-UPJWGTAASA-N 0 1 365.463 -0.742 20 30 FBEDMN CSC[C@H](C)C(=O)N1C[C@@H](NCC(=O)NCC#N)[C@@H](n2ccnn2)C1 ZINC001129704330 839535440 /nfs/dbraw/zinc/53/54/40/839535440.db2.gz YAKDRAXBGPYQER-XQQFMLRXSA-N 0 1 365.463 -0.742 20 30 FBEDMN C=CCOCCCC(=O)N1C[C@@H](N[C@H](C)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001129732582 839538410 /nfs/dbraw/zinc/53/84/10/839538410.db2.gz BMXMZDJTLJHMOV-MCIONIFRSA-N 0 1 350.423 -0.524 20 30 FBEDMN C=CCOCCCC(=O)N1C[C@@H](N[C@@H](C)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001129732588 839538376 /nfs/dbraw/zinc/53/83/76/839538376.db2.gz BMXMZDJTLJHMOV-MJBXVCDLSA-N 0 1 350.423 -0.524 20 30 FBEDMN C=CCOCCCC(=O)N1C[C@@H](NCC(=O)NC)[C@@H](n2ccnn2)C1 ZINC001129733405 839538488 /nfs/dbraw/zinc/53/84/88/839538488.db2.gz UAWHEZOCCQXVON-KGLIPLIRSA-N 0 1 350.423 -0.652 20 30 FBEDMN C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H](CC)SC)C[C@@H]1n1ccnn1 ZINC001129753124 839538203 /nfs/dbraw/zinc/53/82/03/839538203.db2.gz GVAJPSWCPZSGOM-HZSPNIEDSA-N 0 1 364.475 -0.489 20 30 FBEDMN C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@H](CC)SC)C[C@@H]1n1ccnn1 ZINC001129753125 839538325 /nfs/dbraw/zinc/53/83/25/839538325.db2.gz GVAJPSWCPZSGOM-RDBSUJKOSA-N 0 1 364.475 -0.489 20 30 FBEDMN CS[C@H](C)CC(=O)N1C[C@@H](NCC(=O)NCC#N)[C@@H](n2ccnn2)C1 ZINC001129753352 839539314 /nfs/dbraw/zinc/53/93/14/839539314.db2.gz ISQDRTCYOKNUOL-UPJWGTAASA-N 0 1 365.463 -0.599 20 30 FBEDMN CS[C@@H](C)CC(=O)N1C[C@@H](NCC(=O)NCC#N)[C@@H](n2ccnn2)C1 ZINC001129753353 839539534 /nfs/dbraw/zinc/53/95/34/839539534.db2.gz ISQDRTCYOKNUOL-XQQFMLRXSA-N 0 1 365.463 -0.599 20 30 FBEDMN CC[C@H](SC)C(=O)N1C[C@@H](NCC(=O)NCC#N)[C@@H](n2ccnn2)C1 ZINC001129753376 839539330 /nfs/dbraw/zinc/53/93/30/839539330.db2.gz JUDKJSIEVUKWJG-AGIUHOORSA-N 0 1 365.463 -0.599 20 30 FBEDMN CC[C@@H](SC)C(=O)N1C[C@@H](NCC(=O)NCC#N)[C@@H](n2ccnn2)C1 ZINC001129753377 839539257 /nfs/dbraw/zinc/53/92/57/839539257.db2.gz JUDKJSIEVUKWJG-FRRDWIJNSA-N 0 1 365.463 -0.599 20 30 FBEDMN C#CCNC(=O)CN[C@@H]1CN(C(=O)C[C@@H](C)SC)C[C@@H]1n1ccnn1 ZINC001129754001 839539108 /nfs/dbraw/zinc/53/91/08/839539108.db2.gz UKVMCQSGXVCHGM-MCIONIFRSA-N 0 1 364.475 -0.489 20 30 FBEDMN C#CCNC(=O)CN[C@@H]1CN(C(=O)C[C@H](C)SC)C[C@@H]1n1ccnn1 ZINC001129754002 839539504 /nfs/dbraw/zinc/53/95/04/839539504.db2.gz UKVMCQSGXVCHGM-MJBXVCDLSA-N 0 1 364.475 -0.489 20 30 FBEDMN C#CCCCCC(=O)N1C[C@@H](NCCS(C)(=O)=O)[C@@H](n2ccnn2)C1 ZINC001129757056 839539427 /nfs/dbraw/zinc/53/94/27/839539427.db2.gz SYPSJZYDBFDSFV-CABCVRRESA-N 0 1 367.475 -0.142 20 30 FBEDMN C#CCNC(=O)CC(=O)N1C[C@@H](NC/C=C/Cl)[C@@H](n2ccnn2)C1 ZINC001129774665 839542749 /nfs/dbraw/zinc/54/27/49/839542749.db2.gz OBBLBRQLYMPTGU-HNFMAKEJSA-N 0 1 350.810 -0.488 20 30 FBEDMN C#CCNC(=O)CC(=O)N1C[C@@H](NC/C=C\Cl)[C@@H](n2ccnn2)C1 ZINC001129774667 839542706 /nfs/dbraw/zinc/54/27/06/839542706.db2.gz OBBLBRQLYMPTGU-JXLSXLBDSA-N 0 1 350.810 -0.488 20 30 FBEDMN C#CCNC(=O)CC(=O)N1C[C@@H](NC[C@H](F)CC)[C@@H](n2ccnn2)C1 ZINC001129775370 839543854 /nfs/dbraw/zinc/54/38/54/839543854.db2.gz YUGJAXBAOPEQHY-MCIONIFRSA-N 0 1 350.398 -0.493 20 30 FBEDMN C#CCNC(=O)CC(=O)N1C[C@@H](NC[C@@H](F)CC)[C@@H](n2ccnn2)C1 ZINC001129775371 839544405 /nfs/dbraw/zinc/54/44/05/839544405.db2.gz YUGJAXBAOPEQHY-MJBXVCDLSA-N 0 1 350.398 -0.493 20 30 FBEDMN C=CCNC(=O)CN[C@@H]1CN(C(=O)CC(C)(C)O)C[C@@H]1n1ccnn1 ZINC001129791720 839542201 /nfs/dbraw/zinc/54/22/01/839542201.db2.gz OXSRBZBHADZUJV-OLZOCXBDSA-N 0 1 350.423 -0.917 20 30 FBEDMN C=C[C@@](C)(O)CC(=O)N1C[C@@H](NCC(=O)N(C)C)[C@@H](n2ccnn2)C1 ZINC001129795366 839541394 /nfs/dbraw/zinc/54/13/94/839541394.db2.gz GXIQHHFGWVPIOC-DVOMOZLQSA-N 0 1 350.423 -0.965 20 30 FBEDMN C=C[C@](C)(O)CC(=O)N1C[C@@H](NCC(=O)N(C)C)[C@@H](n2ccnn2)C1 ZINC001129795367 839541951 /nfs/dbraw/zinc/54/19/51/839541951.db2.gz GXIQHHFGWVPIOC-WWGRRREGSA-N 0 1 350.423 -0.965 20 30 FBEDMN C=C[C@@](C)(O)CC(=O)N1C[C@@H](NCC(=O)NCC)[C@@H](n2ccnn2)C1 ZINC001129795838 839541697 /nfs/dbraw/zinc/54/16/97/839541697.db2.gz QZBNXJLUPVSQTF-DVOMOZLQSA-N 0 1 350.423 -0.917 20 30 FBEDMN C=C[C@](C)(O)CC(=O)N1C[C@@H](NCC(=O)NCC)[C@@H](n2ccnn2)C1 ZINC001129795839 839542221 /nfs/dbraw/zinc/54/22/21/839542221.db2.gz QZBNXJLUPVSQTF-WWGRRREGSA-N 0 1 350.423 -0.917 20 30 FBEDMN C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CC2(F)F)C[C@@H]1n1ccnn1 ZINC001129811113 839545056 /nfs/dbraw/zinc/54/50/56/839545056.db2.gz BYEZCBOQAPHFSJ-TUAOUCFPSA-N 0 1 354.361 -0.423 20 30 FBEDMN C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CC2(F)F)C[C@@H]1n1ccnn1 ZINC001129811114 839545257 /nfs/dbraw/zinc/54/52/57/839545257.db2.gz BYEZCBOQAPHFSJ-UTUOFQBUSA-N 0 1 354.361 -0.423 20 30 FBEDMN C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CC2(F)F)C[C@@H]1n1ccnn1 ZINC001129811447 839546273 /nfs/dbraw/zinc/54/62/73/839546273.db2.gz IAJZBILJDVHFIL-TUAOUCFPSA-N 0 1 352.345 -0.976 20 30 FBEDMN C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CC2(F)F)C[C@@H]1n1ccnn1 ZINC001129811448 839546841 /nfs/dbraw/zinc/54/68/41/839546841.db2.gz IAJZBILJDVHFIL-UTUOFQBUSA-N 0 1 352.345 -0.976 20 30 FBEDMN CS(=O)(=O)CCN[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1n1ccnn1 ZINC001129816862 839546741 /nfs/dbraw/zinc/54/67/41/839546741.db2.gz LISQHAWAKZFSDF-KGLIPLIRSA-N 0 1 351.432 -0.922 20 30 FBEDMN CC(C)(C)C#CC(=O)N1C[C@@H](NCCS(C)(=O)=O)[C@@H](n2ccnn2)C1 ZINC001129822272 839546292 /nfs/dbraw/zinc/54/62/92/839546292.db2.gz NUGTZPFIWULVIN-KGLIPLIRSA-N 0 1 367.475 -0.286 20 30 FBEDMN CC(C)C#CC(=O)N1C[C@@H](NCCS(C)(=O)=O)[C@@H](n2ccnn2)C1 ZINC001129825046 839546889 /nfs/dbraw/zinc/54/68/89/839546889.db2.gz LHGSBCMRVYIAAI-KGLIPLIRSA-N 0 1 353.448 -0.676 20 30 FBEDMN C#CCCCC(=O)N1C[C@@H](NCCS(C)(=O)=O)[C@@H](n2ccnn2)C1 ZINC001129829703 839546376 /nfs/dbraw/zinc/54/63/76/839546376.db2.gz MYDUWUNRFXIPSC-KGLIPLIRSA-N 0 1 353.448 -0.532 20 30 FBEDMN C#CCN[C@@H]1CN(C(=O)CC2(CS(C)(=O)=O)CC2)C[C@@H]1n1ccnn1 ZINC001129846256 839547897 /nfs/dbraw/zinc/54/78/97/839547897.db2.gz XLESHNBRBKOWFP-KGLIPLIRSA-N 0 1 365.459 -0.532 20 30 FBEDMN C=C(C)[C@@H](CC(=O)N1C[C@@H](NCC(N)=O)[C@@H](n2ccnn2)C1)OCC ZINC001129878742 839549617 /nfs/dbraw/zinc/54/96/17/839549617.db2.gz CLWVSPLGPULHHB-HZSPNIEDSA-N 0 1 350.423 -0.524 20 30 FBEDMN C=C(C)[C@H](CC(=O)N1C[C@@H](NCC(N)=O)[C@@H](n2ccnn2)C1)OCC ZINC001129878743 839549660 /nfs/dbraw/zinc/54/96/60/839549660.db2.gz CLWVSPLGPULHHB-RDBSUJKOSA-N 0 1 350.423 -0.524 20 30 FBEDMN C=C(C)CCC(=O)N1C[C@@H](NCCNS(C)(=O)=O)[C@@H](n2ccnn2)C1 ZINC001129881306 839550622 /nfs/dbraw/zinc/55/06/22/839550622.db2.gz FUHOPKLXOGZZOB-KGLIPLIRSA-N 0 1 370.479 -0.475 20 30 FBEDMN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2ccns2)C[C@@H]1n1ccnn1 ZINC001129881657 839550582 /nfs/dbraw/zinc/55/05/82/839550582.db2.gz NSYCVYIKRRUNEB-NEPJUHHUSA-N 0 1 359.415 -0.861 20 30 FBEDMN C=CCNC(=O)CN[C@@H]1CN(C(=O)c2ccns2)C[C@@H]1n1ccnn1 ZINC001129881688 839550282 /nfs/dbraw/zinc/55/02/82/839550282.db2.gz OYPVAMXCWWTEDN-NEPJUHHUSA-N 0 1 361.431 -0.308 20 30 FBEDMN N#CCNC(=O)CN[C@@H]1CN(C(=O)c2ccns2)C[C@@H]1n1ccnn1 ZINC001129881969 839551643 /nfs/dbraw/zinc/55/16/43/839551643.db2.gz ZDPHTLABSICUEO-MNOVXSKESA-N 0 1 360.403 -0.970 20 30 FBEDMN CC#CCN[C@@H]1CN(C(=O)[C@@H]2CCCCS2(=O)=O)C[C@@H]1n1ccnn1 ZINC001129896263 839555888 /nfs/dbraw/zinc/55/58/88/839555888.db2.gz WICIOXQMSUWVCK-ILXRZTDVSA-N 0 1 365.459 -0.390 20 30 FBEDMN CC#CCN[C@@H]1CN(C(=O)[C@H]2CCCCS2(=O)=O)C[C@@H]1n1ccnn1 ZINC001129896264 839555980 /nfs/dbraw/zinc/55/59/80/839555980.db2.gz WICIOXQMSUWVCK-QLFBSQMISA-N 0 1 365.459 -0.390 20 30 FBEDMN COCC#CCN[C@@H]1CN(C(=O)Cc2cncs2)C[C@@H]1n1ccnn1 ZINC001129902285 839557392 /nfs/dbraw/zinc/55/73/92/839557392.db2.gz CJMJEBUXHGCFPT-CABCVRRESA-N 0 1 360.443 -0.031 20 30 FBEDMN N#CCNC(=O)CN[C@@H]1CN(C(=O)c2ccsn2)C[C@@H]1n1ccnn1 ZINC001129906929 839554763 /nfs/dbraw/zinc/55/47/63/839554763.db2.gz HLQQPWDTWZQUGH-NEPJUHHUSA-N 0 1 360.403 -0.970 20 30 FBEDMN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2ccsn2)C[C@@H]1n1ccnn1 ZINC001129907219 839554449 /nfs/dbraw/zinc/55/44/49/839554449.db2.gz XOTJVFJXNBQUCH-OLZOCXBDSA-N 0 1 359.415 -0.861 20 30 FBEDMN C=CCNC(=O)CN[C@@H]1CN(C(=O)c2ccsn2)C[C@@H]1n1ccnn1 ZINC001129907274 839554748 /nfs/dbraw/zinc/55/47/48/839554748.db2.gz ZQGSQRZNBFUBPK-OLZOCXBDSA-N 0 1 361.431 -0.308 20 30 FBEDMN CC#CCN[C@@H]1CN(C(=O)CS(=O)(=O)CC(C)C)C[C@@H]1n1ccnn1 ZINC001129914894 839554814 /nfs/dbraw/zinc/55/48/14/839554814.db2.gz MBJKJAUVBZLPMQ-CABCVRRESA-N 0 1 367.475 -0.286 20 30 FBEDMN C#CCN[C@@H]1CN(C(=O)CS(=O)(=O)CC(C)C)C[C@@H]1n1ccnn1 ZINC001129914982 839555462 /nfs/dbraw/zinc/55/54/62/839555462.db2.gz QUOXRBSHXQCVDH-KGLIPLIRSA-N 0 1 353.448 -0.676 20 30 FBEDMN C#CCN[C@@H]1CN(C(=O)CCS(=O)(=O)CC(C)C)C[C@@H]1n1ccnn1 ZINC001129915003 839556044 /nfs/dbraw/zinc/55/60/44/839556044.db2.gz SJAXRIVIYYWWIH-CABCVRRESA-N 0 1 367.475 -0.286 20 30 FBEDMN CC#CCN[C@@H]1CN(C(=O)CC2CS(=O)(=O)C2)C[C@@H]1n1ccnn1 ZINC001129917219 839555903 /nfs/dbraw/zinc/55/59/03/839555903.db2.gz OFGYTPRXBTYKTA-KGLIPLIRSA-N 0 1 351.432 -0.922 20 30 FBEDMN C#CCN[C@@H]1CN(C(=O)COCc2nnc(C)s2)C[C@@H]1n1ccnn1 ZINC001129925248 839561160 /nfs/dbraw/zinc/56/11/60/839561160.db2.gz VVXCAXRAUXUSCM-OLZOCXBDSA-N 0 1 361.431 -0.370 20 30 FBEDMN CC#CCN[C@@H]1CN(C(=O)C[C@H]2CCS(=O)(=O)C2)C[C@@H]1n1ccnn1 ZINC001129926723 839561202 /nfs/dbraw/zinc/56/12/02/839561202.db2.gz CNMFQHWQTMNLGX-KFWWJZLASA-N 0 1 365.459 -0.532 20 30 FBEDMN CC#CCN[C@@H]1CN(C(=O)C[C@@H]2CCS(=O)(=O)C2)C[C@@H]1n1ccnn1 ZINC001129926725 839560869 /nfs/dbraw/zinc/56/08/69/839560869.db2.gz CNMFQHWQTMNLGX-ZNMIVQPWSA-N 0 1 365.459 -0.532 20 30 FBEDMN CC#CCN[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)C2)C[C@@H]1n1ccnn1 ZINC001129927404 839561380 /nfs/dbraw/zinc/56/13/80/839561380.db2.gz WRUJWAAFCXGJAW-MCIONIFRSA-N 0 1 351.432 -0.922 20 30 FBEDMN CC#CCN[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)C2)C[C@@H]1n1ccnn1 ZINC001129927405 839561547 /nfs/dbraw/zinc/56/15/47/839561547.db2.gz WRUJWAAFCXGJAW-MJBXVCDLSA-N 0 1 351.432 -0.922 20 30 FBEDMN C=CCNC(=O)CN[C@@H]1CN(C(=O)CCC(F)F)C[C@@H]1n1ccnn1 ZINC001129934079 839557785 /nfs/dbraw/zinc/55/77/85/839557785.db2.gz NOFWPQAFQJMODC-NEPJUHHUSA-N 0 1 356.377 -0.033 20 30 FBEDMN C#CCNC(=O)CN[C@@H]1CN(C(=O)CCC(F)F)C[C@@H]1n1ccnn1 ZINC001129934123 839557236 /nfs/dbraw/zinc/55/72/36/839557236.db2.gz PPLJQHOFYHYFGR-NEPJUHHUSA-N 0 1 354.361 -0.586 20 30 FBEDMN N#CCNC(=O)CN[C@@H]1CN(C(=O)CCC(F)F)C[C@@H]1n1ccnn1 ZINC001129934187 839558907 /nfs/dbraw/zinc/55/89/07/839558907.db2.gz SURWJGFITVBQJT-MNOVXSKESA-N 0 1 355.349 -0.695 20 30 FBEDMN CC#CCN[C@@H]1CN(C(=O)[C@@H](CCC)S(N)(=O)=O)C[C@@H]1n1ccnn1 ZINC001129941233 839558557 /nfs/dbraw/zinc/55/85/57/839558557.db2.gz PQWVIKNXDOLLCI-HZSPNIEDSA-N 0 1 368.463 -0.900 20 30 FBEDMN CC#CCN[C@@H]1CN(C(=O)[C@H](CCC)S(N)(=O)=O)C[C@@H]1n1ccnn1 ZINC001129941234 839558526 /nfs/dbraw/zinc/55/85/26/839558526.db2.gz PQWVIKNXDOLLCI-RDBSUJKOSA-N 0 1 368.463 -0.900 20 30 FBEDMN C=C[C@](C)(CCOC)C(=O)N1C[C@@H](NCC(N)=O)[C@@H](n2ccnn2)C1 ZINC001129945088 839563544 /nfs/dbraw/zinc/56/35/44/839563544.db2.gz BQCBGKHABZSEIC-DVOMOZLQSA-N 0 1 350.423 -0.666 20 30 FBEDMN C=C[C@@](C)(CCOC)C(=O)N1C[C@@H](NCC(N)=O)[C@@H](n2ccnn2)C1 ZINC001129945089 839563603 /nfs/dbraw/zinc/56/36/03/839563603.db2.gz BQCBGKHABZSEIC-WWGRRREGSA-N 0 1 350.423 -0.666 20 30 FBEDMN COCC#CCN[C@@H]1CN(C(=O)COCC(F)F)C[C@@H]1n1ccnn1 ZINC001129947491 839563385 /nfs/dbraw/zinc/56/33/85/839563385.db2.gz BUURNJTUDGPMCZ-OLZOCXBDSA-N 0 1 357.361 -0.449 20 30 FBEDMN C=CCNC(=O)CN[C@@H]1CN(C(=O)c2csnn2)C[C@@H]1n1ccnn1 ZINC001129952414 839562799 /nfs/dbraw/zinc/56/27/99/839562799.db2.gz SMNFZUJGLCTEPU-PWSUYJOCSA-N 0 1 362.419 -0.913 20 30 FBEDMN CC#CCN[C@@H]1CN(C(=O)C[C@H]2CCCS2(=O)=O)C[C@@H]1n1ccnn1 ZINC001129954344 839562370 /nfs/dbraw/zinc/56/23/70/839562370.db2.gz JLERSRAQVQLXGS-KFWWJZLASA-N 0 1 365.459 -0.390 20 30 FBEDMN CC#CCN[C@@H]1CN(C(=O)C[C@@H]2CCCS2(=O)=O)C[C@@H]1n1ccnn1 ZINC001129954345 839562093 /nfs/dbraw/zinc/56/20/93/839562093.db2.gz JLERSRAQVQLXGS-ZNMIVQPWSA-N 0 1 365.459 -0.390 20 30 FBEDMN C=CC(C)(C)C(=O)N1C[C@@H](NCCNS(C)(=O)=O)[C@@H](n2ccnn2)C1 ZINC001129959016 839563997 /nfs/dbraw/zinc/56/39/97/839563997.db2.gz BUUXZLBEDAKSLK-OLZOCXBDSA-N 0 1 370.479 -0.619 20 30 FBEDMN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CCCF)C[C@@H]1n1ccnn1 ZINC001129961558 839563659 /nfs/dbraw/zinc/56/36/59/839563659.db2.gz SCXYSKLHTNCUDM-MCIONIFRSA-N 0 1 350.398 -0.493 20 30 FBEDMN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CCCF)C[C@@H]1n1ccnn1 ZINC001129961559 839564128 /nfs/dbraw/zinc/56/41/28/839564128.db2.gz SCXYSKLHTNCUDM-MJBXVCDLSA-N 0 1 350.398 -0.493 20 30 FBEDMN C=CC(C)(C)C(=O)N1C[C@@H](NCCS(C)(=O)=O)[C@@H](n2ccnn2)C1 ZINC001129963768 839564064 /nfs/dbraw/zinc/56/40/64/839564064.db2.gz DICCLTFUYGQAGQ-OLZOCXBDSA-N 0 1 355.464 -0.124 20 30 FBEDMN C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H](F)C(C)C)C[C@@H]1n1ccnn1 ZINC001129969040 839565451 /nfs/dbraw/zinc/56/54/51/839565451.db2.gz APXQLPPVLSRDGH-IPYPFGDCSA-N 0 1 350.398 -0.637 20 30 FBEDMN C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@H](F)C(C)C)C[C@@H]1n1ccnn1 ZINC001129969041 839565194 /nfs/dbraw/zinc/56/51/94/839565194.db2.gz APXQLPPVLSRDGH-VNHYZAJKSA-N 0 1 350.398 -0.637 20 30 FBEDMN C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H](F)C(C)C)C[C@@H]1n1ccnn1 ZINC001129969075 839564896 /nfs/dbraw/zinc/56/48/96/839564896.db2.gz CKDQKNXPGXKRQU-IPYPFGDCSA-N 0 1 352.414 -0.084 20 30 FBEDMN C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@H](F)C(C)C)C[C@@H]1n1ccnn1 ZINC001129969076 839565386 /nfs/dbraw/zinc/56/53/86/839565386.db2.gz CKDQKNXPGXKRQU-VNHYZAJKSA-N 0 1 352.414 -0.084 20 30 FBEDMN CC(C)[C@H](F)C(=O)N1C[C@@H](NCC(=O)NCC#N)[C@@H](n2ccnn2)C1 ZINC001129969080 839565473 /nfs/dbraw/zinc/56/54/73/839565473.db2.gz CQOJGFITVMTOFK-DYEKYZERSA-N 0 1 351.386 -0.747 20 30 FBEDMN CC(C)[C@@H](F)C(=O)N1C[C@@H](NCC(=O)NCC#N)[C@@H](n2ccnn2)C1 ZINC001129969081 839565404 /nfs/dbraw/zinc/56/54/04/839565404.db2.gz CQOJGFITVMTOFK-MBNYWOFBSA-N 0 1 351.386 -0.747 20 30 FBEDMN CC#CCCCC(=O)N1C[C@@H](NCCS(C)(=O)=O)[C@@H](n2ccnn2)C1 ZINC001129972572 839566493 /nfs/dbraw/zinc/56/64/93/839566493.db2.gz BTLNGLXZPMWHDZ-CABCVRRESA-N 0 1 367.475 -0.142 20 30 FBEDMN COCC#CCN[C@@H]1CN(C(=O)[C@@]2(F)CCOC2)C[C@@H]1n1ccnn1 ZINC001129977690 839566439 /nfs/dbraw/zinc/56/64/39/839566439.db2.gz BQSOLWMVOZQCFQ-IJEWVQPXSA-N 0 1 351.382 -0.602 20 30 FBEDMN COCC#CCN[C@@H]1CN(C(=O)[C@]2(F)CCOC2)C[C@@H]1n1ccnn1 ZINC001129977691 839566084 /nfs/dbraw/zinc/56/60/84/839566084.db2.gz BQSOLWMVOZQCFQ-YCPHGPKFSA-N 0 1 351.382 -0.602 20 30 FBEDMN COCC#CCN[C@@H]1CN(C(=O)c2csc(=O)[nH]2)C[C@@H]1n1ccnn1 ZINC001129978007 839566279 /nfs/dbraw/zinc/56/62/79/839566279.db2.gz NSPQLRYXCVSMNS-YPMHNXCESA-N 0 1 362.415 -0.255 20 30 FBEDMN C=CCCCC(=O)N1C[C@@H](NCCNS(C)(=O)=O)[C@@H](n2ccnn2)C1 ZINC001129986525 839568991 /nfs/dbraw/zinc/56/89/91/839568991.db2.gz DTEDNBLENBMALA-KGLIPLIRSA-N 0 1 370.479 -0.475 20 30 FBEDMN C=CCNC(=O)CN[C@@H]1CN(C(=O)CC(C)(F)F)C[C@@H]1n1ccnn1 ZINC001129999001 839567591 /nfs/dbraw/zinc/56/75/91/839567591.db2.gz DUFJHGJAUMFTDB-NEPJUHHUSA-N 0 1 356.377 -0.033 20 30 FBEDMN C#CCNC(=O)CN[C@@H]1CN(C(=O)CC(C)(F)F)C[C@@H]1n1ccnn1 ZINC001129999095 839567971 /nfs/dbraw/zinc/56/79/71/839567971.db2.gz KLHSXGMKOOFKQP-NEPJUHHUSA-N 0 1 354.361 -0.586 20 30 FBEDMN CC(F)(F)CC(=O)N1C[C@@H](NCC(=O)NCC#N)[C@@H](n2ccnn2)C1 ZINC001129999122 839567628 /nfs/dbraw/zinc/56/76/28/839567628.db2.gz LRNOJGUJVMACME-MNOVXSKESA-N 0 1 355.349 -0.695 20 30 FBEDMN C=CCNC(=O)CN[C@@H]1CN(C(=O)C2(CF)CC2)C[C@@H]1n1ccnn1 ZINC001130000972 839567542 /nfs/dbraw/zinc/56/75/42/839567542.db2.gz YGJNPLXIWRBZKR-OLZOCXBDSA-N 0 1 350.398 -0.329 20 30 FBEDMN CC#CCN[C@@H]1CN(C(=O)[C@@H]2CCCS(=O)(=O)C2)C[C@@H]1n1ccnn1 ZINC001130024628 839572714 /nfs/dbraw/zinc/57/27/14/839572714.db2.gz ZLMIRAFAYVWQCQ-KFWWJZLASA-N 0 1 365.459 -0.532 20 30 FBEDMN CC#CCN[C@@H]1CN(C(=O)[C@H]2CCCS(=O)(=O)C2)C[C@@H]1n1ccnn1 ZINC001130024629 839573093 /nfs/dbraw/zinc/57/30/93/839573093.db2.gz ZLMIRAFAYVWQCQ-ZNMIVQPWSA-N 0 1 365.459 -0.532 20 30 FBEDMN CC#CCN[C@@H]1CN(C(=O)C(C)(C)S(C)(=O)=O)C[C@@H]1n1ccnn1 ZINC001130026269 839572922 /nfs/dbraw/zinc/57/29/22/839572922.db2.gz JIHLQMTXXVZTBS-OLZOCXBDSA-N 0 1 353.448 -0.534 20 30 FBEDMN CC#CCN[C@@H]1CN(C(=O)C2CCS(=O)(=O)CC2)C[C@@H]1n1ccnn1 ZINC001130026490 839572446 /nfs/dbraw/zinc/57/24/46/839572446.db2.gz RLPIYUAJJNMONV-CABCVRRESA-N 0 1 365.459 -0.532 20 30 FBEDMN COCC#CCN[C@@H]1CN(C(=O)Cc2cscn2)C[C@@H]1n1ccnn1 ZINC001130027936 839573078 /nfs/dbraw/zinc/57/30/78/839573078.db2.gz CZFZLHDKUUSYBW-CABCVRRESA-N 0 1 360.443 -0.031 20 30 FBEDMN CC#CCN[C@@H]1CN(C(=O)[C@@]2(C)CCCS2(=O)=O)C[C@@H]1n1ccnn1 ZINC001130038005 839574025 /nfs/dbraw/zinc/57/40/25/839574025.db2.gz HKIFHFBSQOBUKN-IJEWVQPXSA-N 0 1 365.459 -0.390 20 30 FBEDMN CC#CCN[C@@H]1CN(C(=O)[C@]2(C)CCCS2(=O)=O)C[C@@H]1n1ccnn1 ZINC001130038006 839573537 /nfs/dbraw/zinc/57/35/37/839573537.db2.gz HKIFHFBSQOBUKN-YCPHGPKFSA-N 0 1 365.459 -0.390 20 30 FBEDMN CC#CCN[C@@H]1CN(C(=O)CCCS(C)(=O)=O)C[C@@H]1n1ccnn1 ZINC001130047103 839575034 /nfs/dbraw/zinc/57/50/34/839575034.db2.gz VYSMFYZHHQYMDL-KGLIPLIRSA-N 0 1 353.448 -0.532 20 30 FBEDMN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2nccs2)C[C@@H]1n1ccnn1 ZINC001130050001 839575095 /nfs/dbraw/zinc/57/50/95/839575095.db2.gz CZNGOSIXQJISFC-NEPJUHHUSA-N 0 1 359.415 -0.861 20 30 FBEDMN C=CCNC(=O)CN[C@@H]1CN(C(=O)c2nccs2)C[C@@H]1n1ccnn1 ZINC001130050010 839575265 /nfs/dbraw/zinc/57/52/65/839575265.db2.gz DPMAXKZOOJFXGV-NEPJUHHUSA-N 0 1 361.431 -0.308 20 30 FBEDMN N#CCNC(=O)CN[C@@H]1CN(C(=O)c2nccs2)C[C@@H]1n1ccnn1 ZINC001130050352 839575426 /nfs/dbraw/zinc/57/54/26/839575426.db2.gz UXTZFDQMHAAIMS-MNOVXSKESA-N 0 1 360.403 -0.970 20 30 FBEDMN C#CCN[C@@H]1CN(C(=O)CC(=O)NCC(F)(F)F)C[C@@H]1n1ccnn1 ZINC001130062354 839576576 /nfs/dbraw/zinc/57/65/76/839576576.db2.gz BBHRTFYSOXJRNA-MNOVXSKESA-N 0 1 358.324 -0.679 20 30 FBEDMN CC#CCN[C@@H]1CN(C(=O)C(=O)NCC(F)(F)F)C[C@@H]1n1ccnn1 ZINC001130065707 839576064 /nfs/dbraw/zinc/57/60/64/839576064.db2.gz PLZWQLLFNMWJCE-MNOVXSKESA-N 0 1 358.324 -0.679 20 30 FBEDMN CC#CCN[C@@H]1CN(C(=O)C2(S(C)(=O)=O)CCC2)C[C@@H]1n1ccnn1 ZINC001130067159 839576595 /nfs/dbraw/zinc/57/65/95/839576595.db2.gz WKOLESDOVSILKZ-KGLIPLIRSA-N 0 1 365.459 -0.390 20 30 FBEDMN C#CCN[C@@H]1CN(C(=O)CNC(=O)c2cscn2)C[C@@H]1n1ccnn1 ZINC001130077435 839578357 /nfs/dbraw/zinc/57/83/57/839578357.db2.gz IOEFLWGBJUFGBR-YPMHNXCESA-N 0 1 359.415 -0.861 20 30 FBEDMN CC#CCN[C@@H]1CN(C(=O)CS(=O)(=O)C(C)(C)C)C[C@@H]1n1ccnn1 ZINC001130088730 839578919 /nfs/dbraw/zinc/57/89/19/839578919.db2.gz GFQPDBUDAGPRJN-KGLIPLIRSA-N 0 1 367.475 -0.144 20 30 FBEDMN C#CCN[C@@H]1CN(C(=O)CS(=O)(=O)C(C)(C)C)C[C@@H]1n1ccnn1 ZINC001130088967 839578423 /nfs/dbraw/zinc/57/84/23/839578423.db2.gz RSCLFPZQLXMRIM-OLZOCXBDSA-N 0 1 353.448 -0.534 20 30 FBEDMN C#CCN[C@@H]1CN(C(=O)CS(=O)(=O)CCCCC)C[C@@H]1n1ccnn1 ZINC001130094630 839579683 /nfs/dbraw/zinc/57/96/83/839579683.db2.gz NFDOPVUDRJUIKM-CABCVRRESA-N 0 1 367.475 -0.142 20 30 FBEDMN C#CCN[C@@H]1CN(C(=O)CNC(=O)c2cccs2)C[C@@H]1n1ccnn1 ZINC001130111939 839580887 /nfs/dbraw/zinc/58/08/87/839580887.db2.gz NVLHCUHMSXKDOW-OLZOCXBDSA-N 0 1 358.427 -0.256 20 30 FBEDMN CC#CCN[C@@H]1CN(C(=O)Cn2c(C)csc2=O)C[C@@H]1n1ccnn1 ZINC001130118834 839582301 /nfs/dbraw/zinc/58/23/01/839582301.db2.gz QKEUCOHOPIXKSA-KGLIPLIRSA-N 0 1 360.443 -0.125 20 30 FBEDMN C#CCN[C@@H]1CN(C(=O)CNC(=O)c2ccsc2)C[C@@H]1n1ccnn1 ZINC001130128044 839582183 /nfs/dbraw/zinc/58/21/83/839582183.db2.gz WYINWUGYRQHRKY-KGLIPLIRSA-N 0 1 358.427 -0.256 20 30 FBEDMN CC#CCN[C@@H]1CN(C(=O)CS(=O)(=O)C(C)C)C[C@@H]1n1ccnn1 ZINC001130129296 839582240 /nfs/dbraw/zinc/58/22/40/839582240.db2.gz AQPRTOCQGUOEEN-KGLIPLIRSA-N 0 1 353.448 -0.534 20 30 FBEDMN CC#CCN[C@@H]1CN(C(=O)CS(=O)(=O)CCC)C[C@@H]1n1ccnn1 ZINC001130132703 839583380 /nfs/dbraw/zinc/58/33/80/839583380.db2.gz LLPUFYSSSWMZBJ-KGLIPLIRSA-N 0 1 353.448 -0.532 20 30 FBEDMN CC#CCN[C@@H]1CN(C(=O)[C@H]2CCCS2(=O)=O)C[C@@H]1n1ccnn1 ZINC001130132807 839583586 /nfs/dbraw/zinc/58/35/86/839583586.db2.gz QOZSOCCVPFDITD-HZSPNIEDSA-N 0 1 351.432 -0.780 20 30 FBEDMN CC#CCN[C@@H]1CN(C(=O)[C@@H]2CCCS2(=O)=O)C[C@@H]1n1ccnn1 ZINC001130132808 839583534 /nfs/dbraw/zinc/58/35/34/839583534.db2.gz QOZSOCCVPFDITD-RDBSUJKOSA-N 0 1 351.432 -0.780 20 30 FBEDMN C#CCN[C@@H]1CN(C(=O)CS(=O)(=O)CCCC)C[C@@H]1n1ccnn1 ZINC001130139617 839585112 /nfs/dbraw/zinc/58/51/12/839585112.db2.gz FRTVUVAJEJGPDC-KGLIPLIRSA-N 0 1 353.448 -0.532 20 30 FBEDMN CC#CCN[C@@H]1CN(C(=O)CS(=O)(=O)CCCC)C[C@@H]1n1ccnn1 ZINC001130140055 839585438 /nfs/dbraw/zinc/58/54/38/839585438.db2.gz PTQNLNIWFYZXMR-CABCVRRESA-N 0 1 367.475 -0.142 20 30 FBEDMN CC#CCN[C@@H]1CN(C(=O)[C@H](C)CS(C)(=O)=O)C[C@@H]1n1ccnn1 ZINC001130143453 839586608 /nfs/dbraw/zinc/58/66/08/839586608.db2.gz URWPJLDHEXJSSR-MCIONIFRSA-N 0 1 353.448 -0.676 20 30 FBEDMN 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