smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)CC1 ZINC001118639708 847510914 /nfs/dbraw/zinc/51/09/14/847510914.db2.gz BQGYJFNNDAWNLD-QLFBSQMISA-N 1 2 353.413 0.952 10 30 FCEELO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)CC1 ZINC001118639708 847510928 /nfs/dbraw/zinc/51/09/28/847510928.db2.gz BQGYJFNNDAWNLD-QLFBSQMISA-N 1 2 353.413 0.952 10 30 FCEELO C=C(CC)CNC(=O)C(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC001119170646 847752809 /nfs/dbraw/zinc/75/28/09/847752809.db2.gz NIUIZNMKECPLKF-UHFFFAOYSA-N 1 2 353.463 0.991 10 30 FCEELO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CC[C@H](NC(=O)OC)C1 ZINC001262947681 859074077 /nfs/dbraw/zinc/07/40/77/859074077.db2.gz QUEMBENSKWSNOS-XQQFMLRXSA-N 1 2 350.423 0.136 10 30 FCEELO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CC[C@H](NC(=O)OC)C1 ZINC001262947681 859074089 /nfs/dbraw/zinc/07/40/89/859074089.db2.gz QUEMBENSKWSNOS-XQQFMLRXSA-N 1 2 350.423 0.136 10 30 FCEELO C=CCn1c(N2CCO[C@H](COC)C2)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001262988504 859077858 /nfs/dbraw/zinc/07/78/58/859077858.db2.gz UJBOXWSLPIJTII-KEYYUXOJSA-N 1 2 351.451 0.227 10 30 FCEELO C=CCn1c(N2CCO[C@H](COC)C2)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001262988504 859077862 /nfs/dbraw/zinc/07/78/62/859077862.db2.gz UJBOXWSLPIJTII-KEYYUXOJSA-N 1 2 351.451 0.227 10 30 FCEELO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc(C(F)F)nc2)[C@H]1C ZINC001264145770 859326360 /nfs/dbraw/zinc/32/63/60/859326360.db2.gz MBDMIXGUEITXCE-YPMHNXCESA-N 1 2 350.369 0.961 10 30 FCEELO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C(F)F)nc2)[C@H]1C ZINC001264145770 859326369 /nfs/dbraw/zinc/32/63/69/859326369.db2.gz MBDMIXGUEITXCE-YPMHNXCESA-N 1 2 350.369 0.961 10 30 FCEELO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc(C(F)F)n(C)n2)[C@H]1C ZINC001264152822 859330545 /nfs/dbraw/zinc/33/05/45/859330545.db2.gz HPSZKCRQFYVYTN-MNOVXSKESA-N 1 2 355.389 0.853 10 30 FCEELO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc(C(F)F)n(C)n2)[C@H]1C ZINC001264152822 859330549 /nfs/dbraw/zinc/33/05/49/859330549.db2.gz HPSZKCRQFYVYTN-MNOVXSKESA-N 1 2 355.389 0.853 10 30 FCEELO CC(C)n1ncc(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)[C@@H]2C)c1Cl ZINC001264153895 859330786 /nfs/dbraw/zinc/33/07/86/859330786.db2.gz IMSNMPMHCPOGIQ-YPMHNXCESA-N 1 2 366.853 0.950 10 30 FCEELO CC(C)n1ncc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)[C@@H]2C)c1Cl ZINC001264153895 859330796 /nfs/dbraw/zinc/33/07/96/859330796.db2.gz IMSNMPMHCPOGIQ-YPMHNXCESA-N 1 2 366.853 0.950 10 30 FCEELO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H](C)C(F)(F)F)[C@H]1C ZINC001264155968 859332381 /nfs/dbraw/zinc/33/23/81/859332381.db2.gz HQHRFJRCNDXXDF-AXFHLTTASA-N 1 2 364.368 0.776 10 30 FCEELO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)C(F)(F)F)[C@H]1C ZINC001264155968 859332389 /nfs/dbraw/zinc/33/23/89/859332389.db2.gz HQHRFJRCNDXXDF-AXFHLTTASA-N 1 2 364.368 0.776 10 30 FCEELO C=CCOCC(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001290297354 865385693 /nfs/dbraw/zinc/38/56/93/865385693.db2.gz RRQSMDNABWBDAO-PMPSAXMXSA-N 1 2 353.463 0.263 10 30 FCEELO C=CCOCC(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001290297354 865385708 /nfs/dbraw/zinc/38/57/08/865385708.db2.gz RRQSMDNABWBDAO-PMPSAXMXSA-N 1 2 353.463 0.263 10 30 FCEELO C[C@@H]1[C@@H](NC(=O)CCn2cc(Cl)cn2)CC[N@@H+]1CC(=O)NCC#N ZINC001316799688 867503364 /nfs/dbraw/zinc/50/33/64/867503364.db2.gz XWFZNVHUNOQNPF-YPMHNXCESA-N 1 2 352.826 0.145 10 30 FCEELO C[C@@H]1[C@@H](NC(=O)CCn2cc(Cl)cn2)CC[N@H+]1CC(=O)NCC#N ZINC001316799688 867503370 /nfs/dbraw/zinc/50/33/70/867503370.db2.gz XWFZNVHUNOQNPF-YPMHNXCESA-N 1 2 352.826 0.145 10 30 FCEELO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2csc(COC)n2)[C@H]1C ZINC001316801208 867506801 /nfs/dbraw/zinc/50/68/01/867506801.db2.gz PSZHJDAGZZNQKF-NEPJUHHUSA-N 1 2 352.460 0.784 10 30 FCEELO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2csc(COC)n2)[C@H]1C ZINC001316801208 867506813 /nfs/dbraw/zinc/50/68/13/867506813.db2.gz PSZHJDAGZZNQKF-NEPJUHHUSA-N 1 2 352.460 0.784 10 30 FCEELO C=CCNC(=O)C[NH+]1CCC(N(CCC)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001317004009 867516772 /nfs/dbraw/zinc/51/67/72/867516772.db2.gz ITHWIQBCBQNUSP-HUUCEWRRSA-N 1 2 352.435 0.657 10 30 FCEELO C=C[C@](C)(O)CC(=O)N(C)CC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2CC)CC1 ZINC001356699308 868042785 /nfs/dbraw/zinc/04/27/85/868042785.db2.gz AZEFCGIDQPECGF-MDZRGWNJSA-N 1 2 351.491 0.962 10 30 FCEELO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1nnc(C(C)(C)C)o1 ZINC001320278968 868128546 /nfs/dbraw/zinc/12/85/46/868128546.db2.gz CZCUCQXWQKRRIG-XQQFMLRXSA-N 1 2 352.435 0.525 10 30 FCEELO C=CCO[C@@H]1CC[N@@H+](CC(=O)Nc2cc(S(N)(=O)=O)ccc2OC)C1 ZINC001320320285 868141058 /nfs/dbraw/zinc/14/10/58/868141058.db2.gz GHOMOXSGFCXEPP-GFCCVEGCSA-N 1 2 369.443 0.558 10 30 FCEELO C=CCO[C@@H]1CC[N@H+](CC(=O)Nc2cc(S(N)(=O)=O)ccc2OC)C1 ZINC001320320285 868141062 /nfs/dbraw/zinc/14/10/62/868141062.db2.gz GHOMOXSGFCXEPP-GFCCVEGCSA-N 1 2 369.443 0.558 10 30 FCEELO C=CCO[C@@H]1CCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC001320898913 868310678 /nfs/dbraw/zinc/31/06/78/868310678.db2.gz ODGOIKQOLPNGST-OAHLLOKOSA-N 1 2 359.492 0.482 10 30 FCEELO C#C[C@H](NC(=O)C(=O)NCc1nc(C[NH+](C)C)cs1)[C@H]1CCCO1 ZINC000930469786 674029804 /nfs/dbraw/zinc/02/98/04/674029804.db2.gz JYKSKFPIBFKYAD-QWHCGFSZSA-N 1 2 350.444 0.118 10 30 FCEELO Cc1oc(NC(=O)C[NH+]2CCC(CNS(C)(=O)=O)CC2)c(C#N)c1C ZINC000285574837 213361163 /nfs/dbraw/zinc/36/11/63/213361163.db2.gz WKGMTLQCDNCYCV-UHFFFAOYSA-N 1 2 368.459 0.968 10 30 FCEELO CN1CCO[C@@H]2CC[N@@H+]([C@H]3CC(=O)N(c4ccc(C#N)cc4)C3=O)C[C@H]21 ZINC000284145292 213083876 /nfs/dbraw/zinc/08/38/76/213083876.db2.gz YYDIRZPTRXBJSV-GVDBMIGSSA-N 1 2 354.410 0.595 10 30 FCEELO CN1CCO[C@@H]2CC[N@H+]([C@H]3CC(=O)N(c4ccc(C#N)cc4)C3=O)C[C@H]21 ZINC000284145292 213083878 /nfs/dbraw/zinc/08/38/78/213083878.db2.gz YYDIRZPTRXBJSV-GVDBMIGSSA-N 1 2 354.410 0.595 10 30 FCEELO C[N@@H+]1CCO[C@@H]2CCN([C@H]3CC(=O)N(c4ccc(C#N)cc4)C3=O)C[C@H]21 ZINC000284145292 213083881 /nfs/dbraw/zinc/08/38/81/213083881.db2.gz YYDIRZPTRXBJSV-GVDBMIGSSA-N 1 2 354.410 0.595 10 30 FCEELO C[N@H+]1CCO[C@@H]2CCN([C@H]3CC(=O)N(c4ccc(C#N)cc4)C3=O)C[C@H]21 ZINC000284145292 213083883 /nfs/dbraw/zinc/08/38/83/213083883.db2.gz YYDIRZPTRXBJSV-GVDBMIGSSA-N 1 2 354.410 0.595 10 30 FCEELO CN(C)S(=O)(=O)[C@H]1CCC[N@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000367523123 216132528 /nfs/dbraw/zinc/13/25/28/216132528.db2.gz MLOOAUDEDBPHCP-INIZCTEOSA-N 1 2 364.471 0.530 10 30 FCEELO CN(C)S(=O)(=O)[C@H]1CCC[N@@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000367523123 216132530 /nfs/dbraw/zinc/13/25/30/216132530.db2.gz MLOOAUDEDBPHCP-INIZCTEOSA-N 1 2 364.471 0.530 10 30 FCEELO CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000193205873 209310549 /nfs/dbraw/zinc/31/05/49/209310549.db2.gz HUMFBWDJKAXBCG-CQSZACIVSA-N 1 2 358.446 0.169 10 30 FCEELO Cn1cc(C[N@@H+]2CCCN(C(=O)C(=O)Nc3cccc(C#N)c3)CC2)cn1 ZINC000188870473 209241060 /nfs/dbraw/zinc/24/10/60/209241060.db2.gz LEYZXKDBVJOTFY-UHFFFAOYSA-N 1 2 366.425 0.965 10 30 FCEELO Cn1cc(C[N@H+]2CCCN(C(=O)C(=O)Nc3cccc(C#N)c3)CC2)cn1 ZINC000188870473 209241062 /nfs/dbraw/zinc/24/10/62/209241062.db2.gz LEYZXKDBVJOTFY-UHFFFAOYSA-N 1 2 366.425 0.965 10 30 FCEELO C=CCNC(=O)C[NH+]1CCN(c2nnc([C@]3(C)CCCO3)n2CC)CC1 ZINC000453435309 249345632 /nfs/dbraw/zinc/34/56/32/249345632.db2.gz ASHSBQDFMLEPEQ-SFHVURJKSA-N 1 2 362.478 0.748 10 30 FCEELO C[C@@H](NC(=O)C[N@@H+]1CCCN(c2ncccc2C#N)CC1)C(=O)N(C)C ZINC000098136894 208161364 /nfs/dbraw/zinc/16/13/64/208161364.db2.gz XQQFOGZGJWIDAY-CQSZACIVSA-N 1 2 358.446 0.058 10 30 FCEELO C[C@@H](NC(=O)C[N@H+]1CCCN(c2ncccc2C#N)CC1)C(=O)N(C)C ZINC000098136894 208161369 /nfs/dbraw/zinc/16/13/69/208161369.db2.gz XQQFOGZGJWIDAY-CQSZACIVSA-N 1 2 358.446 0.058 10 30 FCEELO Cc1cc(N2CC[C@@H]([NH+]3CCN(c4cc(C#N)ccn4)CC3)C2=O)n(C)n1 ZINC000266510134 210347881 /nfs/dbraw/zinc/34/78/81/210347881.db2.gz 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/nfs/dbraw/zinc/92/87/52/488928752.db2.gz HGNPHPRDZPWPLJ-TYILLQQXSA-N 1 2 354.410 0.965 10 30 FCEELO N#C[C@@H]1C[N@H+](C[C@H](O)CN2CCCC2=O)C[C@]12C(=O)Nc1ccccc12 ZINC000328671541 488928756 /nfs/dbraw/zinc/92/87/56/488928756.db2.gz HGNPHPRDZPWPLJ-TYILLQQXSA-N 1 2 354.410 0.965 10 30 FCEELO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc(-n4ncc(C#N)c4N)cc3)C[C@H]21 ZINC000328938348 488952943 /nfs/dbraw/zinc/95/29/43/488952943.db2.gz GRKVDFJGMCUGBV-SJORKVTESA-N 1 2 366.425 0.871 10 30 FCEELO C[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc(-n4ncc(C#N)c4N)cc3)C[C@H]21 ZINC000328938348 488952946 /nfs/dbraw/zinc/95/29/46/488952946.db2.gz GRKVDFJGMCUGBV-SJORKVTESA-N 1 2 366.425 0.871 10 30 FCEELO COCc1nc2n(n1)C[C@H]([NH+]=C([O-])N1CC[C@@H]3OCC[N@H+](C)[C@H]3C1)CC2 ZINC000329073982 488965634 /nfs/dbraw/zinc/96/56/34/488965634.db2.gz PBNJFKQDZDMFFA-RDBSUJKOSA-N 1 2 364.450 0.058 10 30 FCEELO COCc1nc2n(n1)C[C@H]([NH+]=C([O-])N1CC[C@@H]3OCC[N@@H+](C)[C@H]3C1)CC2 ZINC000329073982 488965638 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249357622 /nfs/dbraw/zinc/35/76/22/249357622.db2.gz AZEPIYVTSRYEFH-INIZCTEOSA-N 1 2 371.441 0.914 10 30 FCEELO CC[C@@H](CO)[NH+]1CCN(CCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000081515588 208099198 /nfs/dbraw/zinc/09/91/98/208099198.db2.gz JCRDKFXRQNLOOK-INIZCTEOSA-N 1 2 351.472 0.720 10 30 FCEELO Cc1c(C#N)cccc1NC(=O)C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000180256979 209092811 /nfs/dbraw/zinc/09/28/11/209092811.db2.gz CWHPJCWKSPPRSH-SUMWQHHRSA-N 1 2 356.426 0.984 10 30 FCEELO C[C@@H](C(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1)n1cnc(C#N)n1 ZINC000409524611 533303504 /nfs/dbraw/zinc/30/35/04/533303504.db2.gz ZDEVNFSXECQHFV-GOEBONIOSA-N 1 2 354.414 0.900 10 30 FCEELO CS(=O)(=O)N[C@H]1CC[N@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000116892394 229172609 /nfs/dbraw/zinc/17/26/09/229172609.db2.gz ZFHUPGSZKDXSNQ-AWEZNQCLSA-N 1 2 350.444 0.557 10 30 FCEELO CS(=O)(=O)N[C@H]1CC[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000116892394 229172614 /nfs/dbraw/zinc/17/26/14/229172614.db2.gz ZFHUPGSZKDXSNQ-AWEZNQCLSA-N 1 2 350.444 0.557 10 30 FCEELO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000279140301 488919920 /nfs/dbraw/zinc/91/99/20/488919920.db2.gz XJBIQQXOEDSTBO-MRXNPFEDSA-N 1 2 361.789 0.824 10 30 FCEELO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000279140301 488919923 /nfs/dbraw/zinc/91/99/23/488919923.db2.gz XJBIQQXOEDSTBO-MRXNPFEDSA-N 1 2 361.789 0.824 10 30 FCEELO O=C(NC[C@H](O)C[NH+]1CCOCC1)[C@H]1CSCN1C(=O)C1CCC1 ZINC000328796646 488938759 /nfs/dbraw/zinc/93/87/59/488938759.db2.gz DHZVRWQJMVUQPM-UONOGXRCSA-N 1 2 357.476 0.338 10 30 FCEELO CCS(=O)(=O)N1CCC(NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)CC1 ZINC000328869164 488945684 /nfs/dbraw/zinc/94/56/84/488945684.db2.gz HMBONFBPLWBGJC-GJZGRUSLSA-N 1 2 374.507 0.119 10 30 FCEELO CCS(=O)(=O)N1CCC(NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)CC1 ZINC000328869164 488945685 /nfs/dbraw/zinc/94/56/85/488945685.db2.gz HMBONFBPLWBGJC-GJZGRUSLSA-N 1 2 374.507 0.119 10 30 FCEELO CCC(=O)N1CSC[C@@H]1C(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000328920919 488951333 /nfs/dbraw/zinc/95/13/33/488951333.db2.gz TVBAIVWZDOKGPA-TZMCWYRMSA-N 1 2 368.503 0.950 10 30 FCEELO CN1C(=O)COc2ccc(NC(=O)N3CC[C@H]4OCC[N@H+](C)[C@@H]4C3)cc21 ZINC000328970204 488956998 /nfs/dbraw/zinc/95/69/98/488956998.db2.gz OKZNPKQGRYEZMB-GDBMZVCRSA-N 1 2 360.414 0.992 10 30 FCEELO CN1C(=O)COc2ccc(NC(=O)N3CC[C@H]4OCC[N@@H+](C)[C@@H]4C3)cc21 ZINC000328970204 488956999 /nfs/dbraw/zinc/95/69/99/488956999.db2.gz OKZNPKQGRYEZMB-GDBMZVCRSA-N 1 2 360.414 0.992 10 30 FCEELO C=CCNC(=O)C[NH+]1CCN([C@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000022812950 487624281 /nfs/dbraw/zinc/62/42/81/487624281.db2.gz CLZHJANIPVVOGA-OAHLLOKOSA-N 1 2 355.442 0.805 10 30 FCEELO C=CCNC(=O)CN1CC[NH+]([C@H](C)C(=O)NCc2cccc(OC)c2)CC1 ZINC000027902014 487701330 /nfs/dbraw/zinc/70/13/30/487701330.db2.gz WDVNVDYPMNOKGI-MRXNPFEDSA-N 1 2 374.485 0.620 10 30 FCEELO C=CC[C@H](CO)NC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000183192243 488391659 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COCC[N@@H+]1CCN(CCS(=O)(=O)c2ccc(C#N)cc2)C[C@H]1C ZINC000176232600 488857766 /nfs/dbraw/zinc/85/77/66/488857766.db2.gz WPPQKNFBNCCALJ-OAHLLOKOSA-N 1 2 351.472 0.984 10 30 FCEELO COCC[N@H+]1CCN(CCS(=O)(=O)c2ccc(C#N)cc2)C[C@H]1C ZINC000176232600 488857767 /nfs/dbraw/zinc/85/77/67/488857767.db2.gz WPPQKNFBNCCALJ-OAHLLOKOSA-N 1 2 351.472 0.984 10 30 FCEELO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(-n3cccc3)ccn2)CC1 ZINC000288771794 489014475 /nfs/dbraw/zinc/01/44/75/489014475.db2.gz DAWILUJMTBSJAT-UHFFFAOYSA-N 1 2 365.437 0.770 10 30 FCEELO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(-n3cccc3)ccn2)CC1 ZINC000288771794 489014479 /nfs/dbraw/zinc/01/44/79/489014479.db2.gz DAWILUJMTBSJAT-UHFFFAOYSA-N 1 2 365.437 0.770 10 30 FCEELO C[C@@H]1CN(c2ccc(CNC(=O)N[C@@H]3CC(=O)N(C)C3)c[nH+]2)C[C@@H](C)O1 ZINC000329941038 489052905 /nfs/dbraw/zinc/05/29/05/489052905.db2.gz UTACBSLKWFIZME-UMVBOHGHSA-N 1 2 361.446 0.930 10 30 FCEELO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cnc3cnccc3c2)CC1 ZINC000281288857 489065378 /nfs/dbraw/zinc/06/53/78/489065378.db2.gz OVWQOEQKKRBJQW-UHFFFAOYSA-N 1 2 351.410 0.527 10 30 FCEELO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cnc3cnccc3c2)CC1 ZINC000281288857 489065381 /nfs/dbraw/zinc/06/53/81/489065381.db2.gz OVWQOEQKKRBJQW-UHFFFAOYSA-N 1 2 351.410 0.527 10 30 FCEELO COC(=O)[C@@H]1CN(C(=O)NCc2[nH+]ccn2CC(F)(F)F)CCO1 ZINC000330556022 489116705 /nfs/dbraw/zinc/11/67/05/489116705.db2.gz FKXYGNIBXRLZMF-VIFPVBQESA-N 1 2 350.297 0.733 10 30 FCEELO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000292347314 489176769 /nfs/dbraw/zinc/17/67/69/489176769.db2.gz POOCDGJDLOICAE-WBVHZDCISA-N 1 2 373.457 0.531 10 30 FCEELO N#CCCOCC[NH+]1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 ZINC000292761044 489177995 /nfs/dbraw/zinc/17/79/95/489177995.db2.gz IXIVRXAQOZSEPD-UHFFFAOYSA-N 1 2 363.443 0.799 10 30 FCEELO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000367567929 489207540 /nfs/dbraw/zinc/20/75/40/489207540.db2.gz YEVSTNMINYJHOU-PXAZEXFGSA-N 1 2 362.455 0.799 10 30 FCEELO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000367567929 489207542 /nfs/dbraw/zinc/20/75/42/489207542.db2.gz YEVSTNMINYJHOU-PXAZEXFGSA-N 1 2 362.455 0.799 10 30 FCEELO N#CCOc1ccc(C[NH+]2CCN(CC(=O)N3CCOCC3)CC2)cc1 ZINC000298391424 489321872 /nfs/dbraw/zinc/32/18/72/489321872.db2.gz GLYGVWLWHJDASF-UHFFFAOYSA-N 1 2 358.442 0.565 10 30 FCEELO N#CCOc1ccc(CN2CC[NH+](CC(=O)N3CCOCC3)CC2)cc1 ZINC000298391424 489321874 /nfs/dbraw/zinc/32/18/74/489321874.db2.gz GLYGVWLWHJDASF-UHFFFAOYSA-N 1 2 358.442 0.565 10 30 FCEELO C=CCOc1ccc(C(=O)N[C@@H](CO)C[NH+]2CCOCC2)cc1OC ZINC000555529042 491252491 /nfs/dbraw/zinc/25/24/91/491252491.db2.gz ZTUJUPATEBZDHJ-OAHLLOKOSA-N 1 2 350.415 0.683 10 30 FCEELO CN1CC[NH+](C[C@H]2CN(C(=O)COc3ccccc3C#N)CCO2)CC1 ZINC000370851139 489411019 /nfs/dbraw/zinc/41/10/19/489411019.db2.gz AMSCPULFMXTKNT-KRWDZBQOSA-N 1 2 358.442 0.412 10 30 FCEELO C[C@@H]1CN(C(=O)C(=O)Nc2cc(C#N)ccc2Cl)CC[N@@H+]1CCO ZINC000427414765 489606666 /nfs/dbraw/zinc/60/66/66/489606666.db2.gz QIJLTDJWGCEYBW-LLVKDONJSA-N 1 2 350.806 0.675 10 30 FCEELO C[C@@H]1CN(C(=O)C(=O)Nc2cc(C#N)ccc2Cl)CC[N@H+]1CCO ZINC000427414765 489606669 /nfs/dbraw/zinc/60/66/69/489606669.db2.gz QIJLTDJWGCEYBW-LLVKDONJSA-N 1 2 350.806 0.675 10 30 FCEELO COCC(COC)[NH+]1CCN(S(=O)(=O)CC2(C#N)CCCC2)CC1 ZINC000416568877 489610843 /nfs/dbraw/zinc/61/08/43/489610843.db2.gz IERAFXKMVCUOJC-UHFFFAOYSA-N 1 2 359.492 0.679 10 30 FCEELO COc1cc(C#N)ccc1S(=O)(=O)N1C[C@H](C)[N@H+](CCO)C[C@H]1C ZINC000416667837 489625221 /nfs/dbraw/zinc/62/52/21/489625221.db2.gz QCCLSAISBMGDIK-QWHCGFSZSA-N 1 2 353.444 0.642 10 30 FCEELO COc1cc(C#N)ccc1S(=O)(=O)N1C[C@H](C)[N@@H+](CCO)C[C@H]1C ZINC000416667837 489625224 /nfs/dbraw/zinc/62/52/24/489625224.db2.gz QCCLSAISBMGDIK-QWHCGFSZSA-N 1 2 353.444 0.642 10 30 FCEELO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C(F)(F)C2(O)CCCCC2)CC1 ZINC000372978624 489658230 /nfs/dbraw/zinc/65/82/30/489658230.db2.gz JFHZCHHXWKKJMM-UHFFFAOYSA-N 1 2 371.428 0.601 10 30 FCEELO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C(F)(F)C2(O)CCCCC2)CC1 ZINC000372978624 489658234 /nfs/dbraw/zinc/65/82/34/489658234.db2.gz JFHZCHHXWKKJMM-UHFFFAOYSA-N 1 2 371.428 0.601 10 30 FCEELO COC(=O)CC[N@@H+]1CCN(S(=O)(=O)c2cnc(C)c(C#N)c2)[C@H](C)C1 ZINC000489724188 489726598 /nfs/dbraw/zinc/72/65/98/489726598.db2.gz XCWVRNJABGLSFS-GFCCVEGCSA-N 1 2 366.443 0.520 10 30 FCEELO COC(=O)CC[N@H+]1CCN(S(=O)(=O)c2cnc(C)c(C#N)c2)[C@H](C)C1 ZINC000489724188 489726602 /nfs/dbraw/zinc/72/66/02/489726602.db2.gz XCWVRNJABGLSFS-GFCCVEGCSA-N 1 2 366.443 0.520 10 30 FCEELO N#Cc1cnc(NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000475357740 489820983 /nfs/dbraw/zinc/82/09/83/489820983.db2.gz XNWTXHOIETYURE-UHFFFAOYSA-N 1 2 373.442 0.307 10 30 FCEELO C[C@@H]1CN(c2ccc(CNC(=O)Cn3cnc(C#N)n3)c[nH+]2)C[C@@H](C)O1 ZINC000494541858 489894515 /nfs/dbraw/zinc/89/45/15/489894515.db2.gz MACSFECPSZYOKE-CHWSQXEVSA-N 1 2 355.402 0.475 10 30 FCEELO COc1cc(C#N)ccc1OCC[NH+]1CCN(c2nccn(C)c2=O)CC1 ZINC000466711072 490207054 /nfs/dbraw/zinc/20/70/54/490207054.db2.gz QXYRESSYYMSMGJ-UHFFFAOYSA-N 1 2 369.425 0.862 10 30 FCEELO CCN(CCC#N)C(=O)CN1CC[NH+]([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000507701455 490251832 /nfs/dbraw/zinc/25/18/32/490251832.db2.gz NNRACKHYPOHWQP-INIZCTEOSA-N 1 2 363.506 0.813 10 30 FCEELO Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000508324962 490319356 /nfs/dbraw/zinc/31/93/56/490319356.db2.gz HHFPKPKYEAHLLM-INIZCTEOSA-N 1 2 363.462 0.156 10 30 FCEELO C=CCNC(=O)CN1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)CC1 ZINC000523377505 490459855 /nfs/dbraw/zinc/45/98/55/490459855.db2.gz VPOVVZLRWAWHMU-UHFFFAOYSA-N 1 2 355.442 0.632 10 30 FCEELO N#Cc1cccnc1N1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nn2)CC1 ZINC000523779884 490495172 /nfs/dbraw/zinc/49/51/72/490495172.db2.gz KQTDFHVJYXFTNE-UHFFFAOYSA-N 1 2 360.381 0.891 10 30 FCEELO C[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)[C@H]1CCN2CCO[C@H]1C2 ZINC000451139349 490520360 /nfs/dbraw/zinc/52/03/60/490520360.db2.gz OWMTWSAPXBPSSV-GJZGRUSLSA-N 1 2 350.444 0.132 10 30 FCEELO C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)[C@H]1CCN2CCO[C@H]1C2 ZINC000451139349 490520366 /nfs/dbraw/zinc/52/03/66/490520366.db2.gz OWMTWSAPXBPSSV-GJZGRUSLSA-N 1 2 350.444 0.132 10 30 FCEELO C=CCNC(=O)C[NH+]1CCN(c2nnc(C3CC3)n2C[C@H]2CCCO2)CC1 ZINC000549497697 490584670 /nfs/dbraw/zinc/58/46/70/490584670.db2.gz DTWNGKHBAQGACF-MRXNPFEDSA-N 1 2 374.489 0.759 10 30 FCEELO C=CCNC(=O)CNC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000537416227 490676873 /nfs/dbraw/zinc/67/68/73/490676873.db2.gz HTPWROFBXLVDNV-KBPBESRZSA-N 1 2 361.446 0.797 10 30 FCEELO N#Cc1ccc(CC(=O)N2CC[NH+](Cc3ccc(C(N)=O)cc3)CC2)cn1 ZINC000527988775 490770368 /nfs/dbraw/zinc/77/03/68/490770368.db2.gz YPBMECBVHXNUIJ-UHFFFAOYSA-N 1 2 363.421 0.939 10 30 FCEELO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+](C)Cc2cnc(N(C)C)nc2)CC1 ZINC000505478388 490831057 /nfs/dbraw/zinc/83/10/57/490831057.db2.gz CKFILCZJTDDVKZ-QGZVFWFLSA-N 1 2 373.505 0.667 10 30 FCEELO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+](C)Cc2cnc(N(C)C)nc2)CC1 ZINC000505478388 490831061 /nfs/dbraw/zinc/83/10/61/490831061.db2.gz CKFILCZJTDDVKZ-QGZVFWFLSA-N 1 2 373.505 0.667 10 30 FCEELO CCOC1CC(CNC(=O)Cc2ccc(C#N)nc2)([NH+]2CCOCC2)C1 ZINC000529186241 490845457 /nfs/dbraw/zinc/84/54/57/490845457.db2.gz WOSHWIJGWLCHPH-UHFFFAOYSA-N 1 2 358.442 0.882 10 30 FCEELO Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)Nc2cccc(C#N)n2)CC1 ZINC000519153398 490963560 /nfs/dbraw/zinc/96/35/60/490963560.db2.gz UHFHWRMTCDHQES-UHFFFAOYSA-N 1 2 350.382 0.944 10 30 FCEELO N#CCCN(CC[NH+]1CCOCC1)C(=O)CN1C(=O)Cc2ccccc21 ZINC000597021398 492009845 /nfs/dbraw/zinc/00/98/45/492009845.db2.gz LJRCJUCFGHEZTQ-UHFFFAOYSA-N 1 2 356.426 0.650 10 30 FCEELO N#Cc1ccc(NC(=O)C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)nc1 ZINC000565613836 491389130 /nfs/dbraw/zinc/38/91/30/491389130.db2.gz RRFYBUQPOSOFJZ-OAHLLOKOSA-N 1 2 357.414 0.605 10 30 FCEELO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@@H](CS(N)(=O)=O)C2)c1 ZINC000572859538 491398229 /nfs/dbraw/zinc/39/82/29/491398229.db2.gz SCECHDGRVJTRMZ-CQSZACIVSA-N 1 2 371.484 0.332 10 30 FCEELO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H](CS(N)(=O)=O)C2)c1 ZINC000572859538 491398230 /nfs/dbraw/zinc/39/82/30/491398230.db2.gz SCECHDGRVJTRMZ-CQSZACIVSA-N 1 2 371.484 0.332 10 30 FCEELO CC(C)[C@H](CNC(=O)C(=O)NCc1ccc(CC#N)cc1)[NH+]1CCOCC1 ZINC000565773981 491398577 /nfs/dbraw/zinc/39/85/77/491398577.db2.gz LQVBCJZWTVNEBJ-SFHVURJKSA-N 1 2 372.469 0.842 10 30 FCEELO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)Cc2ccc(CC#N)cc2)[C@@H](C)C1 ZINC000567107166 491485629 /nfs/dbraw/zinc/48/56/29/491485629.db2.gz PUCXBUIFRDNYRO-LSDHHAIUSA-N 1 2 351.472 0.969 10 30 FCEELO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)Cc2ccc(CC#N)cc2)[C@@H](C)C1 ZINC000567107166 491485632 /nfs/dbraw/zinc/48/56/32/491485632.db2.gz PUCXBUIFRDNYRO-LSDHHAIUSA-N 1 2 351.472 0.969 10 30 FCEELO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 ZINC000559968659 491512954 /nfs/dbraw/zinc/51/29/54/491512954.db2.gz KUKKLDNVTQULFX-AWEZNQCLSA-N 1 2 367.413 0.003 10 30 FCEELO CCC(=O)N1CSC[C@@H]1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000560144503 491520891 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C[C@H](C(=O)N(C)CC(=O)NC1CC1)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000193768277 488429578 /nfs/dbraw/zinc/42/95/78/488429578.db2.gz WFNGMCLDUMCNHE-CQSZACIVSA-N 1 2 370.457 0.201 10 30 FCEELO CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000554416925 491200921 /nfs/dbraw/zinc/20/09/21/491200921.db2.gz FXMBVXMJBGCAES-UHFFFAOYSA-N 1 2 350.386 1.149 10 30 FCEELO C=CCNC(=O)CN1CCN(C(=O)NCCc2cn3ccccc3[nH+]2)CC1 ZINC000114920036 488542614 /nfs/dbraw/zinc/54/26/14/488542614.db2.gz YSFQOUYFGIXQSH-UHFFFAOYSA-N 1 2 370.457 0.506 10 30 FCEELO CCOCC[NH+]1CCN(C(=O)C(=O)NCc2ccc(CC#N)cc2)CC1 ZINC000570041982 491211802 /nfs/dbraw/zinc/21/18/02/491211802.db2.gz NPZSBJVXGWAULE-UHFFFAOYSA-N 1 2 358.442 0.550 10 30 FCEELO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)cc1 ZINC000135718674 488674783 /nfs/dbraw/zinc/67/47/83/488674783.db2.gz WPCSZTAOSMLQOQ-MRXNPFEDSA-N 1 2 362.455 0.997 10 30 FCEELO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)cc1 ZINC000135718674 488674786 /nfs/dbraw/zinc/67/47/86/488674786.db2.gz WPCSZTAOSMLQOQ-MRXNPFEDSA-N 1 2 362.455 0.997 10 30 FCEELO C=CCS(=O)(=O)CCNC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000274209822 488690694 /nfs/dbraw/zinc/69/06/94/488690694.db2.gz NDSGDECNMPKWOK-UHFFFAOYSA-N 1 2 353.448 0.217 10 30 FCEELO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NCc1ccc(CC#N)cc1 ZINC000563115242 491217588 /nfs/dbraw/zinc/21/75/88/491217588.db2.gz OPKSTADPFIBQHZ-HNNXBMFYSA-N 1 2 358.442 0.548 10 30 FCEELO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000173827697 488845778 /nfs/dbraw/zinc/84/57/78/488845778.db2.gz DVBBDSRNZBARBW-ACJLOTCBSA-N 1 2 372.469 0.975 10 30 FCEELO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000329453209 489005845 /nfs/dbraw/zinc/00/58/45/489005845.db2.gz NPIKUCSCOPSAJO-IAGOWNOFSA-N 1 2 365.522 0.871 10 30 FCEELO C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)CN2C(=O)NC(=O)C2(C)C)CC1 ZINC000329766442 489034134 /nfs/dbraw/zinc/03/41/34/489034134.db2.gz YENYJEPJOVYAOV-LLVKDONJSA-N 1 2 365.434 0.809 10 30 FCEELO CCC[C@@H]1C[C@@H]1NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000329802934 489037671 /nfs/dbraw/zinc/03/76/71/489037671.db2.gz KTRHCMQMPHZHGZ-CABCVRRESA-N 1 2 373.523 0.199 10 30 FCEELO CCS(=O)(=O)NC1CCN(C(=O)NCc2ccc[nH+]c2N(C)C)CC1 ZINC000330394676 489096819 /nfs/dbraw/zinc/09/68/19/489096819.db2.gz DCTYYYNTBRFAKS-UHFFFAOYSA-N 1 2 369.491 0.965 10 30 FCEELO CN(C)S(=O)(=O)CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000330830013 489148087 /nfs/dbraw/zinc/14/80/87/489148087.db2.gz QFMBDHQBUPISEC-UHFFFAOYSA-N 1 2 350.444 0.094 10 30 FCEELO CS(=O)(=O)N[C@H]1CCN(C(=O)NCc2[nH+]ccn2CC(F)(F)F)C1 ZINC000330865618 489151998 /nfs/dbraw/zinc/15/19/98/489151998.db2.gz ZDWDWTBAZBABRH-VIFPVBQESA-N 1 2 369.369 0.483 10 30 FCEELO C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000292347304 489177155 /nfs/dbraw/zinc/17/71/55/489177155.db2.gz POOCDGJDLOICAE-DOTOQJQBSA-N 1 2 373.457 0.531 10 30 FCEELO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000284958530 489316064 /nfs/dbraw/zinc/31/60/64/489316064.db2.gz OQISBPPYOJNTPM-HOCLYGCPSA-N 1 2 369.425 0.981 10 30 FCEELO N#Cc1cccc(OCCCCC(=O)N[C@H](CO)C[NH+]2CCOCC2)c1 ZINC000555603037 491258860 /nfs/dbraw/zinc/25/88/60/491258860.db2.gz VVBKNBNINZLYFO-KRWDZBQOSA-N 1 2 361.442 0.917 10 30 FCEELO CC(C)Oc1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc1C#N ZINC000427442883 489608853 /nfs/dbraw/zinc/60/88/53/489608853.db2.gz RMAYCLKZUSCGLE-AWEZNQCLSA-N 1 2 374.441 0.809 10 30 FCEELO CC(C)Oc1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc1C#N ZINC000427442883 489608854 /nfs/dbraw/zinc/60/88/54/489608854.db2.gz RMAYCLKZUSCGLE-AWEZNQCLSA-N 1 2 374.441 0.809 10 30 FCEELO COCC(COC)[NH+]1CCN(S(=O)(=O)c2cnc(C)c(C#N)c2)CC1 ZINC000416566750 489611008 /nfs/dbraw/zinc/61/10/08/489611008.db2.gz DHCNUJDHVFYHMQ-UHFFFAOYSA-N 1 2 368.459 0.229 10 30 FCEELO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1S(=O)(=O)Cc1ccc(F)cc1C#N ZINC000416656482 489622325 /nfs/dbraw/zinc/62/23/25/489622325.db2.gz DSBGUDBQSLWDRP-STQMWFEESA-N 1 2 355.435 0.914 10 30 FCEELO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1S(=O)(=O)Cc1ccc(F)cc1C#N ZINC000416656482 489622327 /nfs/dbraw/zinc/62/23/27/489622327.db2.gz DSBGUDBQSLWDRP-STQMWFEESA-N 1 2 355.435 0.914 10 30 FCEELO C[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)[C@@H](C)C[N@@H+]1CCO ZINC000416670790 489626036 /nfs/dbraw/zinc/62/60/36/489626036.db2.gz UQLHSPMLURSXKX-NEPJUHHUSA-N 1 2 368.415 0.542 10 30 FCEELO C[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)[C@@H](C)C[N@H+]1CCO ZINC000416670790 489626037 /nfs/dbraw/zinc/62/60/37/489626037.db2.gz UQLHSPMLURSXKX-NEPJUHHUSA-N 1 2 368.415 0.542 10 30 FCEELO N#Cc1cccc(S(=O)(=O)CCN2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000372880901 489647223 /nfs/dbraw/zinc/64/72/23/489647223.db2.gz MDUALVLKLHSTJJ-QZTJIDSGSA-N 1 2 363.483 0.863 10 30 FCEELO CCCNC(=O)C[NH+]1CCC(NS(=O)(=O)CC2(C#N)CCC2)CC1 ZINC000563776614 491268662 /nfs/dbraw/zinc/26/86/62/491268662.db2.gz JAIVIGAPUKDKTH-UHFFFAOYSA-N 1 2 356.492 0.590 10 30 FCEELO CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000375624782 489721626 /nfs/dbraw/zinc/72/16/26/489721626.db2.gz QGTYWXAEZGVCFP-CQSZACIVSA-N 1 2 356.492 0.685 10 30 FCEELO CN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000375624782 489721630 /nfs/dbraw/zinc/72/16/30/489721630.db2.gz QGTYWXAEZGVCFP-CQSZACIVSA-N 1 2 356.492 0.685 10 30 FCEELO C(#CC[N@@H+]1CCO[C@]2(CCCOC2)C1)CN1CCO[C@]2(CCCOC2)C1 ZINC000375623022 489721888 /nfs/dbraw/zinc/72/18/88/489721888.db2.gz HTQANPLGPFWHLN-WOJBJXKFSA-N 1 2 364.486 0.753 10 30 FCEELO C(#CC[N@H+]1CCO[C@]2(CCCOC2)C1)CN1CCO[C@]2(CCCOC2)C1 ZINC000375623022 489721889 /nfs/dbraw/zinc/72/18/89/489721889.db2.gz HTQANPLGPFWHLN-WOJBJXKFSA-N 1 2 364.486 0.753 10 30 FCEELO C[C@@H]1CN(c2ccc(CNC(=O)Cn3cnc(C#N)n3)c[nH+]2)C[C@H](C)O1 ZINC000494541857 489894950 /nfs/dbraw/zinc/89/49/50/489894950.db2.gz MACSFECPSZYOKE-BETUJISGSA-N 1 2 355.402 0.475 10 30 FCEELO CCOCC[C@H](O)C[NH+]1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000434629846 489938545 /nfs/dbraw/zinc/93/85/45/489938545.db2.gz JKIZMUPILZSLJJ-INIZCTEOSA-N 1 2 367.471 0.652 10 30 FCEELO COc1ccc(C[N@@H+]2CCCN(S(=O)(=O)N(C)C)CC2)cc1C#N ZINC000377776846 489956096 /nfs/dbraw/zinc/95/60/96/489956096.db2.gz NATOYAAUHQVWJR-UHFFFAOYSA-N 1 2 352.460 0.881 10 30 FCEELO COc1ccc(C[N@H+]2CCCN(S(=O)(=O)N(C)C)CC2)cc1C#N ZINC000377776846 489956100 /nfs/dbraw/zinc/95/61/00/489956100.db2.gz NATOYAAUHQVWJR-UHFFFAOYSA-N 1 2 352.460 0.881 10 30 FCEELO C=CCNC(=O)CN1CC[NH+](Cc2cn(C)nc2-c2cccnc2)CC1 ZINC000506307574 490080032 /nfs/dbraw/zinc/08/00/32/490080032.db2.gz HGTTZGOKYCXSSR-UHFFFAOYSA-N 1 2 354.458 0.902 10 30 FCEELO C=CCNC(=O)C[NH+]1CCN(Cc2cn(C)nc2-c2cccnc2)CC1 ZINC000506307574 490080038 /nfs/dbraw/zinc/08/00/38/490080038.db2.gz HGTTZGOKYCXSSR-UHFFFAOYSA-N 1 2 354.458 0.902 10 30 FCEELO CCOC(=O)CCCNC(=O)C[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000546209451 490209027 /nfs/dbraw/zinc/20/90/27/490209027.db2.gz HSYCKRRGYLCJEN-UHFFFAOYSA-N 1 2 359.430 0.535 10 30 FCEELO CC1(C)COCC[N@@H+]1CCNC(=O)N1CCN(c2cccc(C#N)n2)CC1 ZINC000546883838 490256276 /nfs/dbraw/zinc/25/62/76/490256276.db2.gz MYARBUMZQZNQQC-UHFFFAOYSA-N 1 2 372.473 0.896 10 30 FCEELO CC1(C)COCC[N@H+]1CCNC(=O)N1CCN(c2cccc(C#N)n2)CC1 ZINC000546883838 490256283 /nfs/dbraw/zinc/25/62/83/490256283.db2.gz MYARBUMZQZNQQC-UHFFFAOYSA-N 1 2 372.473 0.896 10 30 FCEELO Cn1ccnc(N2CC[NH+](CC(=O)NCc3cccc(C#N)c3)CC2)c1=O ZINC000525820968 490638056 /nfs/dbraw/zinc/63/80/56/490638056.db2.gz WSAUTVXUVCPPGK-UHFFFAOYSA-N 1 2 366.425 0.090 10 30 FCEELO CN(C)S(=O)(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000514605724 490774827 /nfs/dbraw/zinc/77/48/27/490774827.db2.gz OSWIEUCBKRTIDC-UHFFFAOYSA-N 1 2 367.431 0.781 10 30 FCEELO CN(C)S(=O)(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000514605724 490774830 /nfs/dbraw/zinc/77/48/30/490774830.db2.gz OSWIEUCBKRTIDC-UHFFFAOYSA-N 1 2 367.431 0.781 10 30 FCEELO CNC(=O)NC[C@@H]1C[N@H+](Cn2c(C)nnc2-c2cccc(C#N)c2)CCO1 ZINC000530105841 490889036 /nfs/dbraw/zinc/88/90/36/490889036.db2.gz UVQOQUXFLJQLOI-MRXNPFEDSA-N 1 2 369.429 0.713 10 30 FCEELO CNC(=O)NC[C@@H]1C[N@@H+](Cn2c(C)nnc2-c2cccc(C#N)c2)CCO1 ZINC000530105841 490889037 /nfs/dbraw/zinc/88/90/37/490889037.db2.gz UVQOQUXFLJQLOI-MRXNPFEDSA-N 1 2 369.429 0.713 10 30 FCEELO COc1ccc2ncc(C(=O)N(CCC#N)CC[NH+]3CCOCC3)n2n1 ZINC000597023729 492010279 /nfs/dbraw/zinc/01/02/79/492010279.db2.gz ZPBSUFAIMHLKQV-UHFFFAOYSA-N 1 2 358.402 0.426 10 30 FCEELO C=C(C)Cn1c([C@@H]2COCCO2)nnc1N(C)CC[NH+]1CCOCC1 ZINC000558993330 491451103 /nfs/dbraw/zinc/45/11/03/491451103.db2.gz BCZAWLIBARSEGE-HNNXBMFYSA-N 1 2 351.451 0.711 10 30 FCEELO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)Cc2ccc(CC#N)cc2)[C@H](C)C1 ZINC000567107165 491485825 /nfs/dbraw/zinc/48/58/25/491485825.db2.gz PUCXBUIFRDNYRO-HUUCEWRRSA-N 1 2 351.472 0.969 10 30 FCEELO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)Cc2ccc(CC#N)cc2)[C@H](C)C1 ZINC000567107165 491485826 /nfs/dbraw/zinc/48/58/26/491485826.db2.gz PUCXBUIFRDNYRO-HUUCEWRRSA-N 1 2 351.472 0.969 10 30 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C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CC(N)=O)CC[C@@H]1c1cccc(F)c1 ZINC001316726187 1263436764 /nfs/dbraw/zinc/43/67/64/1263436764.db2.gz FAVSEGCEBGEBSK-GPMSIDNRSA-N 1 2 363.433 0.912 10 30 FCEELO C=CCN(CC=C)C(=O)CN1CC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001483869348 1263447531 /nfs/dbraw/zinc/44/75/31/1263447531.db2.gz UGNFIGPJBNWNDU-HZPDHXFCSA-N 1 2 357.458 0.856 10 30 FCEELO C=C(C)[C@H](CC(=O)N1C[C@@H]2C[N@@H+](Cc3nnnn3C)CC[C@@H]2C1)OCC ZINC001316753928 1263458494 /nfs/dbraw/zinc/45/84/94/1263458494.db2.gz OVQCLRNVGPLNMM-PMPSAXMXSA-N 1 2 362.478 0.862 10 30 FCEELO C=C(C)[C@H](CC(=O)N1C[C@@H]2C[N@H+](Cc3nnnn3C)CC[C@@H]2C1)OCC ZINC001316753928 1263458498 /nfs/dbraw/zinc/45/84/98/1263458498.db2.gz OVQCLRNVGPLNMM-PMPSAXMXSA-N 1 2 362.478 0.862 10 30 FCEELO CCN(CCC#N)C(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc(OC)no2)[C@H]1C ZINC001316779224 1263471206 /nfs/dbraw/zinc/47/12/06/1263471206.db2.gz FPEDUOKZBICWLB-OLZOCXBDSA-N 1 2 363.418 0.638 10 30 FCEELO CCN(CCC#N)C(=O)C[N@H+]1CC[C@H](NC(=O)c2cc(OC)no2)[C@H]1C ZINC001316779224 1263471209 /nfs/dbraw/zinc/47/12/09/1263471209.db2.gz FPEDUOKZBICWLB-OLZOCXBDSA-N 1 2 363.418 0.638 10 30 FCEELO C[C@@H]1[C@@H](NC(=O)c2ccc3c(c2)ncn3C)CC[N@@H+]1CC(=O)NCC#N ZINC001316786558 1263477155 /nfs/dbraw/zinc/47/71/55/1263477155.db2.gz FWJHGSKIWLMMDW-OCCSQVGLSA-N 1 2 354.414 0.406 10 30 FCEELO C[C@@H]1[C@@H](NC(=O)c2ccc3c(c2)ncn3C)CC[N@H+]1CC(=O)NCC#N ZINC001316786558 1263477158 /nfs/dbraw/zinc/47/71/58/1263477158.db2.gz FWJHGSKIWLMMDW-OCCSQVGLSA-N 1 2 354.414 0.406 10 30 FCEELO C[C@@H]1[C@@H](NC(=O)Cc2ccc3cnccc3c2)CC[N@@H+]1CC(=O)NCC#N ZINC001316785509 1263477265 /nfs/dbraw/zinc/47/72/65/1263477265.db2.gz JKANGUNFQJCZHG-KDOFPFPSSA-N 1 2 365.437 0.996 10 30 FCEELO C[C@@H]1[C@@H](NC(=O)Cc2ccc3cnccc3c2)CC[N@H+]1CC(=O)NCC#N ZINC001316785509 1263477268 /nfs/dbraw/zinc/47/72/68/1263477268.db2.gz JKANGUNFQJCZHG-KDOFPFPSSA-N 1 2 365.437 0.996 10 30 FCEELO C[C@@H]1[C@@H](NC(=O)c2ccnc3ccncc32)CC[N@@H+]1CC(=O)NCC#N ZINC001316788816 1263480457 /nfs/dbraw/zinc/48/04/57/1263480457.db2.gz JIYBOZQZRKWWOU-DOMZBBRYSA-N 1 2 352.398 0.462 10 30 FCEELO C[C@@H]1[C@@H](NC(=O)c2ccnc3ccncc32)CC[N@H+]1CC(=O)NCC#N ZINC001316788816 1263480460 /nfs/dbraw/zinc/48/04/60/1263480460.db2.gz JIYBOZQZRKWWOU-DOMZBBRYSA-N 1 2 352.398 0.462 10 30 FCEELO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CC(CNC(=O)[C@@H]2CCO[C@H]2C=C)C1 ZINC001318154480 1263547606 /nfs/dbraw/zinc/54/76/06/1263547606.db2.gz IXNHVJNSPTWHTC-YUELXQCFSA-N 1 2 364.446 0.026 10 30 FCEELO C#CCNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2c2ccccc2OC)C1 ZINC001318162079 1263548700 /nfs/dbraw/zinc/54/87/00/1263548700.db2.gz WUFHKCNIDBHOEJ-DLBZAZTESA-N 1 2 355.438 0.596 10 30 FCEELO C[C@H](C#N)C(=O)N1CC[NH+](CCCNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001493136715 1263704016 /nfs/dbraw/zinc/70/40/16/1263704016.db2.gz YZWPQMNJBANMIO-JHMPBIJASA-N 1 2 360.458 0.220 10 30 FCEELO C=CCO[C@H]1CCN(c2nc(NC)nc(N3CC[C@H](OCC=C)C3)[nH+]2)C1 ZINC001320898477 1263876921 /nfs/dbraw/zinc/87/69/21/1263876921.db2.gz XYZKKFLLFLCOCH-GJZGRUSLSA-N 1 2 360.462 0.898 10 30 FCEELO C=C[C@@H]1OCC[C@H]1C(=O)N(C)CC[N@H+](C)CC(=O)NC[C@H]1CCOC1 ZINC001496787225 1263898591 /nfs/dbraw/zinc/89/85/91/1263898591.db2.gz YPUGWTACSWYVKE-OAGGEKHMSA-N 1 2 353.463 0.120 10 30 FCEELO C=C[C@@H]1OCC[C@H]1C(=O)N(C)CC[N@@H+](C)CC(=O)NC[C@H]1CCOC1 ZINC001496787225 1263898610 /nfs/dbraw/zinc/89/86/10/1263898610.db2.gz YPUGWTACSWYVKE-OAGGEKHMSA-N 1 2 353.463 0.120 10 30 FCEELO C=C[C@@](C)(O)CC(=O)NCCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC1 ZINC001497426839 1263929639 /nfs/dbraw/zinc/92/96/39/1263929639.db2.gz QALLFRHQRMSMPI-SPYBWZPUSA-N 1 2 360.458 0.958 10 30 FCEELO C=CCNC(=O)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@]23C[C@H]2COC3)C1 ZINC001500611047 1264075417 /nfs/dbraw/zinc/07/54/17/1264075417.db2.gz MAYDVNORNOHCSX-ZENOOKHLSA-N 1 2 357.401 0.399 10 30 FCEELO C=CCNC(=O)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@]23C[C@H]2COC3)C1 ZINC001500611047 1264075423 /nfs/dbraw/zinc/07/54/23/1264075423.db2.gz MAYDVNORNOHCSX-ZENOOKHLSA-N 1 2 357.401 0.399 10 30 FCEELO N#Cc1cc(CN2CC(O)(CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)ccc1F ZINC001500854704 1264090509 /nfs/dbraw/zinc/09/05/09/1264090509.db2.gz BXEFNBKYEFFUTC-HUUCEWRRSA-N 1 2 369.400 0.887 10 30 FCEELO N#Cc1cc(CN2CC(O)(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)ccc1F ZINC001500854704 1264090515 /nfs/dbraw/zinc/09/05/15/1264090515.db2.gz BXEFNBKYEFFUTC-HUUCEWRRSA-N 1 2 369.400 0.887 10 30 FCEELO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)CC(=O)Nc1cc(C)nn1C ZINC001506003887 1264286722 /nfs/dbraw/zinc/28/67/22/1264286722.db2.gz ONLDKPOWLRJPMC-KFWWJZLASA-N 1 2 363.462 0.695 10 30 FCEELO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)CC(=O)Nc1cc(C)nn1C ZINC001506003887 1264286731 /nfs/dbraw/zinc/28/67/31/1264286731.db2.gz ONLDKPOWLRJPMC-KFWWJZLASA-N 1 2 363.462 0.695 10 30 FCEELO C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001507613019 1264372904 /nfs/dbraw/zinc/37/29/04/1264372904.db2.gz JDXDSAZJIHKPPG-AWEZNQCLSA-N 1 2 353.430 0.808 10 30 FCEELO C#CC[NH+]1CCN(c2nnc(CC(C)C)n2C[C@]2(O)CCO[C@@H]2C)CC1 ZINC001507729698 1264385543 /nfs/dbraw/zinc/38/55/43/1264385543.db2.gz KDKBFQCOKBNKIH-VQIMIIECSA-N 1 2 361.490 0.772 10 30 FCEELO C#CC[NH+]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C)OC)CC1 ZINC001507726217 1264385889 /nfs/dbraw/zinc/38/58/89/1264385889.db2.gz HUKJSGYXHJERJI-QGZVFWFLSA-N 1 2 371.489 0.930 10 30 FCEELO C=CCNC(=O)NC(=O)C[N@H+]1CC=C(CNC(=O)[C@]23C[C@H]2CCC3)CC1 ZINC001508214253 1264397977 /nfs/dbraw/zinc/39/79/77/1264397977.db2.gz MWMUAHWMXGNBDN-DNVCBOLYSA-N 1 2 360.458 0.937 10 30 FCEELO C=CCNC(=O)NC(=O)C[N@@H+]1CC=C(CNC(=O)[C@]23C[C@H]2CCC3)CC1 ZINC001508214253 1264397986 /nfs/dbraw/zinc/39/79/86/1264397986.db2.gz MWMUAHWMXGNBDN-DNVCBOLYSA-N 1 2 360.458 0.937 10 30 FCEELO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001510995011 1264529638 /nfs/dbraw/zinc/52/96/38/1264529638.db2.gz WEQUVRYLQDCCEE-KFWWJZLASA-N 1 2 364.446 0.111 10 30 FCEELO C#CCNC(=O)[C@@H](C)[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 ZINC001324318248 1264617578 /nfs/dbraw/zinc/61/75/78/1264617578.db2.gz IGJHNFQNGHQIPL-RBSFLKMASA-N 1 2 357.458 0.622 10 30 FCEELO C=CCOCCCC(=O)N1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001512795751 1264657023 /nfs/dbraw/zinc/65/70/23/1264657023.db2.gz JKWDMZDRXWNHJP-GVDBMIGSSA-N 1 2 365.474 0.359 10 30 FCEELO C=CCOCCCC(=O)N1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001512795751 1264657027 /nfs/dbraw/zinc/65/70/27/1264657027.db2.gz JKWDMZDRXWNHJP-GVDBMIGSSA-N 1 2 365.474 0.359 10 30 FCEELO C#CCCCCCC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1O ZINC001513022322 1264856392 /nfs/dbraw/zinc/85/63/92/1264856392.db2.gz AQLBFPQIOJORHK-YFHUEUNASA-N 1 2 372.469 0.795 10 30 FCEELO C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](NC(=O)CCn3cc[nH+]c3)C2)cn1 ZINC001513261858 1265002740 /nfs/dbraw/zinc/00/27/40/1265002740.db2.gz GCRMSNXIWYQRLX-RHSMWYFYSA-N 1 2 351.410 0.926 10 30 FCEELO C#CCCCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1OC ZINC001513365554 1265066303 /nfs/dbraw/zinc/06/63/03/1265066303.db2.gz RJJBOASAWUMWLL-DJIMGWMZSA-N 1 2 358.442 0.591 10 30 FCEELO CC(C)(C)C#CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@@H]1O ZINC001513512930 1265166953 /nfs/dbraw/zinc/16/69/53/1265166953.db2.gz XOBLNBNYJOERHK-BMFZPTHFSA-N 1 2 358.442 0.183 10 30 FCEELO COCC#CCN1CC2(C1)C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)CO2 ZINC001327413570 1265309886 /nfs/dbraw/zinc/30/98/86/1265309886.db2.gz WCPVOVFPWJXVQG-ARFHVFGLSA-N 1 2 358.442 0.133 10 30 FCEELO C#CC1(NC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CCCC1 ZINC001333562641 1266631360 /nfs/dbraw/zinc/63/13/60/1266631360.db2.gz MSXDQFFTVIPBGC-UHFFFAOYSA-N 1 2 359.430 0.216 10 30 FCEELO C#CC[NH+]1CCN(c2nnc(C3(O)CCC3)n2Cc2cc(C)on2)CC1 ZINC001528277793 1266958180 /nfs/dbraw/zinc/95/81/80/1266958180.db2.gz KJRDKTRHTDEPOT-UHFFFAOYSA-N 1 2 356.430 0.750 10 30 FCEELO C#CC[NH+]1CCN(c2nnc(-c3ncnn3C)n2Cc2cc(C)on2)CC1 ZINC001528309317 1266961416 /nfs/dbraw/zinc/96/14/16/1266961416.db2.gz VGPAUYZMKJHPOQ-UHFFFAOYSA-N 1 2 367.417 0.174 10 30 FCEELO C=C[C@@H]1OCC[C@H]1C(=O)N(C)CCN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001533011938 1267195696 /nfs/dbraw/zinc/19/56/96/1267195696.db2.gz ZLPNLWOLVMXXGA-UAGQMJEPSA-N 1 2 360.458 0.953 10 30 FCEELO C#CC[NH+]1CCN(c2nnc(C3CC3)n2CCCN2CCOC2=O)CC1 ZINC001539446047 1267428552 /nfs/dbraw/zinc/42/85/52/1267428552.db2.gz OXHVIYFXFIEVGW-UHFFFAOYSA-N 1 2 358.446 0.753 10 30 FCEELO C#CC[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@](C)(O)CCC)CC1 ZINC001539446403 1267428807 /nfs/dbraw/zinc/42/88/07/1267428807.db2.gz YAJRDQAAAUSABZ-HNAYVOBHSA-N 1 2 374.489 0.536 10 30 FCEELO C#CC[NH+]1CCN(c2nnc(COCC)n2C[C@]2(O)CCO[C@@H]2C)CC1 ZINC001539462741 1267429387 /nfs/dbraw/zinc/42/93/87/1267429387.db2.gz YIFXWJYOAZRFDI-CRAIPNDOSA-N 1 2 363.462 0.110 10 30 FCEELO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CCN(C(=O)C(C)C)CC1 ZINC001338769437 1268082627 /nfs/dbraw/zinc/08/26/27/1268082627.db2.gz AEVCNKIBQIADCO-GJZGRUSLSA-N 1 2 362.478 0.506 10 30 FCEELO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N1CCN(C(=O)C(C)C)CC1 ZINC001338769437 1268082639 /nfs/dbraw/zinc/08/26/39/1268082639.db2.gz AEVCNKIBQIADCO-GJZGRUSLSA-N 1 2 362.478 0.506 10 30 FCEELO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N(C)C1CCN(OC)CC1 ZINC001338774195 1268085093 /nfs/dbraw/zinc/08/50/93/1268085093.db2.gz SEAIFIZWXFWARK-GJZGRUSLSA-N 1 2 350.467 0.664 10 30 FCEELO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N(C)C1CCN(OC)CC1 ZINC001338774195 1268085106 /nfs/dbraw/zinc/08/51/06/1268085106.db2.gz SEAIFIZWXFWARK-GJZGRUSLSA-N 1 2 350.467 0.664 10 30 FCEELO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N1CCN(c2cccnn2)CC1 ZINC001338775092 1268089058 /nfs/dbraw/zinc/08/90/58/1268089058.db2.gz UJGGTDLJKBWWHT-GJZGRUSLSA-N 1 2 370.461 0.318 10 30 FCEELO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CCN(c2cccnn2)CC1 ZINC001338775092 1268089070 /nfs/dbraw/zinc/08/90/70/1268089070.db2.gz UJGGTDLJKBWWHT-GJZGRUSLSA-N 1 2 370.461 0.318 10 30 FCEELO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CCC(CNC(C)=O)CC1 ZINC001338894006 1268115310 /nfs/dbraw/zinc/11/53/10/1268115310.db2.gz DPBBTBYLKGWTRB-CVEARBPZSA-N 1 2 362.478 0.554 10 30 FCEELO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CCC(CNC(C)=O)CC1 ZINC001338894006 1268115313 /nfs/dbraw/zinc/11/53/13/1268115313.db2.gz DPBBTBYLKGWTRB-CVEARBPZSA-N 1 2 362.478 0.554 10 30 FCEELO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N1CCO[C@@]2(CCSC2)C1 ZINC001338894297 1268115522 /nfs/dbraw/zinc/11/55/22/1268115522.db2.gz HJMVTWWSTOGWAN-ZQIUZPCESA-N 1 2 365.503 0.914 10 30 FCEELO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CCO[C@@]2(CCSC2)C1 ZINC001338894297 1268115527 /nfs/dbraw/zinc/11/55/27/1268115527.db2.gz HJMVTWWSTOGWAN-ZQIUZPCESA-N 1 2 365.503 0.914 10 30 FCEELO C=CCn1c(N2CCN3C(=O)CC[C@@H]3C2)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001339071280 1268161322 /nfs/dbraw/zinc/16/13/22/1268161322.db2.gz ZPOQCYIWSCVVQF-QWQRMKEZSA-N 1 2 360.462 0.187 10 30 FCEELO C=CCn1c(N2CCN3C(=O)CC[C@@H]3C2)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001339071280 1268161330 /nfs/dbraw/zinc/16/13/30/1268161330.db2.gz ZPOQCYIWSCVVQF-QWQRMKEZSA-N 1 2 360.462 0.187 10 30 FCEELO C=CCn1c(N(C)C2CCN(OC)CC2)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001339069176 1268161383 /nfs/dbraw/zinc/16/13/83/1268161383.db2.gz MEIPZFMSNAEGMZ-MAUKXSAKSA-N 1 2 364.494 0.838 10 30 FCEELO C=CCn1c(N(C)C2CCN(OC)CC2)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001339069176 1268161391 /nfs/dbraw/zinc/16/13/91/1268161391.db2.gz MEIPZFMSNAEGMZ-MAUKXSAKSA-N 1 2 364.494 0.838 10 30 FCEELO C=CCn1c(N2CCO[C@H](CCF)C2)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001339068459 1268161840 /nfs/dbraw/zinc/16/18/40/1268161840.db2.gz HXTKDPWVNRNKBY-JJRVBVJISA-N 1 2 353.442 0.941 10 30 FCEELO C=CCn1c(N2CCO[C@H](CCF)C2)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001339068459 1268161845 /nfs/dbraw/zinc/16/18/45/1268161845.db2.gz HXTKDPWVNRNKBY-JJRVBVJISA-N 1 2 353.442 0.941 10 30 FCEELO C=C[C@H](O)c1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1CC ZINC001339354626 1268218943 /nfs/dbraw/zinc/21/89/43/1268218943.db2.gz QREODDSVEVQIHI-CABCVRRESA-N 1 2 362.478 0.650 10 30 FCEELO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CCN(c2cnn(C)c2)CC1 ZINC001339532321 1268262426 /nfs/dbraw/zinc/26/24/26/1268262426.db2.gz WTNACWRZUPZMFJ-CVEARBPZSA-N 1 2 372.477 0.262 10 30 FCEELO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CCN(c2cnn(C)c2)CC1 ZINC001339532321 1268262438 /nfs/dbraw/zinc/26/24/38/1268262438.db2.gz WTNACWRZUPZMFJ-CVEARBPZSA-N 1 2 372.477 0.262 10 30 FCEELO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N(C)CCNC(=O)C(C)C ZINC001339530463 1268262646 /nfs/dbraw/zinc/26/26/46/1268262646.db2.gz NNOUBNJFULGKJL-KBPBESRZSA-N 1 2 350.467 0.410 10 30 FCEELO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N(C)CCNC(=O)C(C)C ZINC001339530463 1268262655 /nfs/dbraw/zinc/26/26/55/1268262655.db2.gz NNOUBNJFULGKJL-KBPBESRZSA-N 1 2 350.467 0.410 10 30 FCEELO C#CC[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N[C@@H]3C(F)(F)F)n2C)CC1 ZINC001339943803 1268380027 /nfs/dbraw/zinc/38/00/27/1268380027.db2.gz GKWOEPGMOLJIJL-YPMHNXCESA-N 1 2 370.379 0.495 10 30 FCEELO C=CCO[C@@H]1CCN(c2nnc([C@]3(C)C[C@@H](O)C[N@@H+]3C)n2CCOC)C1 ZINC001341622691 1269115368 /nfs/dbraw/zinc/11/53/68/1269115368.db2.gz RMEVVJCVOJPSCG-RKVPGOIHSA-N 1 2 365.478 0.617 10 30 FCEELO C=CCO[C@@H]1CCN(c2nnc([C@]3(C)C[C@@H](O)C[N@H+]3C)n2CCOC)C1 ZINC001341622691 1269115382 /nfs/dbraw/zinc/11/53/82/1269115382.db2.gz RMEVVJCVOJPSCG-RKVPGOIHSA-N 1 2 365.478 0.617 10 30 FCEELO C=C[C@H](O)c1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1CCOC ZINC001341634669 1269123744 /nfs/dbraw/zinc/12/37/44/1269123744.db2.gz DTAGDAGUYUGGSR-AWEZNQCLSA-N 1 2 359.434 0.569 10 30 FCEELO C=C(C)Cn1c(N2CC(=O)N(C)[C@H](C)C2)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001341740037 1269181532 /nfs/dbraw/zinc/18/15/32/1269181532.db2.gz PZFSMUDXUQJOGU-QWQRMKEZSA-N 1 2 362.478 0.433 10 30 FCEELO C=C(C)Cn1c(N2CC(=O)N(C)[C@H](C)C2)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001341740037 1269181537 /nfs/dbraw/zinc/18/15/37/1269181537.db2.gz PZFSMUDXUQJOGU-QWQRMKEZSA-N 1 2 362.478 0.433 10 30 FCEELO C=C(C)Cn1c(N2CC(=O)N(C)[C@H](C)C2)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001341740034 1269181978 /nfs/dbraw/zinc/18/19/78/1269181978.db2.gz PZFSMUDXUQJOGU-GLJUWKHASA-N 1 2 362.478 0.433 10 30 FCEELO C=C(C)Cn1c(N2CC(=O)N(C)[C@H](C)C2)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001341740034 1269181985 /nfs/dbraw/zinc/18/19/85/1269181985.db2.gz PZFSMUDXUQJOGU-GLJUWKHASA-N 1 2 362.478 0.433 10 30 FCEELO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CCO[C@](C)(COC)C1 ZINC001342060861 1269326403 /nfs/dbraw/zinc/32/64/03/1269326403.db2.gz ABAQUNGHWPVRKC-ZQIUZPCESA-N 1 2 351.451 0.443 10 30 FCEELO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N1CCO[C@](C)(COC)C1 ZINC001342060861 1269326416 /nfs/dbraw/zinc/32/64/16/1269326416.db2.gz ABAQUNGHWPVRKC-ZQIUZPCESA-N 1 2 351.451 0.443 10 30 FCEELO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC001342062009 1269326727 /nfs/dbraw/zinc/32/67/27/1269326727.db2.gz PBIFGOVLSYNLMJ-MQYQWHSLSA-N 1 2 362.434 0.136 10 30 FCEELO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC001342062009 1269326738 /nfs/dbraw/zinc/32/67/38/1269326738.db2.gz PBIFGOVLSYNLMJ-MQYQWHSLSA-N 1 2 362.434 0.136 10 30 FCEELO C#CCOCCC(=O)N[C@@H]1CN(C(=O)Cc2c[nH+]ccc2OC)C[C@H]1C ZINC001342179343 1269384239 /nfs/dbraw/zinc/38/42/39/1269384239.db2.gz PUZYXHWXIZKYNO-GDBMZVCRSA-N 1 2 359.426 0.636 10 30 FCEELO N#Cc1ccc(CN2CC[C@@H](NC(=O)N[C@@H]3Cc4c[nH+]cn4C3)C2=O)cc1 ZINC001564689220 1269430303 /nfs/dbraw/zinc/43/03/03/1269430303.db2.gz FAVJXNQVFPQKPP-NVXWUHKLSA-N 1 2 364.409 0.780 10 30 FCEELO C#CC[N@H+]1CCCN(C(=O)CNS(=O)(=O)c2c(F)cccc2F)CC1 ZINC001565814749 1269495625 /nfs/dbraw/zinc/49/56/25/1269495625.db2.gz HIVMCNLVXOWITP-UHFFFAOYSA-N 1 2 371.409 0.411 10 30 FCEELO C#CC[N@@H+]1CCCN(C(=O)CNS(=O)(=O)c2c(F)cccc2F)CC1 ZINC001565814749 1269495630 /nfs/dbraw/zinc/49/56/30/1269495630.db2.gz HIVMCNLVXOWITP-UHFFFAOYSA-N 1 2 371.409 0.411 10 30 FCEELO C#CC[N@H+]1CCCN(C(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC001565815708 1269495671 /nfs/dbraw/zinc/49/56/71/1269495671.db2.gz OVUBBIKRGWTSDP-UHFFFAOYSA-N 1 2 366.399 0.023 10 30 FCEELO C#CC[N@@H+]1CCCN(C(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC001565815708 1269495675 /nfs/dbraw/zinc/49/56/75/1269495675.db2.gz OVUBBIKRGWTSDP-UHFFFAOYSA-N 1 2 366.399 0.023 10 30 FCEELO CNC(=O)C[N@@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@@H](C)C#N)C1 ZINC001566003769 1269541928 /nfs/dbraw/zinc/54/19/28/1269541928.db2.gz KDDRYURQVAWXDU-JQFCIGGWSA-N 1 2 358.442 0.875 10 30 FCEELO CNC(=O)C[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@@H](C)C#N)C1 ZINC001566003769 1269541932 /nfs/dbraw/zinc/54/19/32/1269541932.db2.gz KDDRYURQVAWXDU-JQFCIGGWSA-N 1 2 358.442 0.875 10 30 FCEELO CCCCS(=O)(=O)CC(=O)N1C[C@@H]2C[N@@H+](CC#CCOC)CC[C@@H]2C1 ZINC001566055107 1269589402 /nfs/dbraw/zinc/58/94/02/1269589402.db2.gz OOSBUMCHFXYWMN-SJORKVTESA-N 1 2 370.515 0.631 10 30 FCEELO CCCCS(=O)(=O)CC(=O)N1C[C@@H]2C[N@H+](CC#CCOC)CC[C@@H]2C1 ZINC001566055107 1269589407 /nfs/dbraw/zinc/58/94/07/1269589407.db2.gz OOSBUMCHFXYWMN-SJORKVTESA-N 1 2 370.515 0.631 10 30 FCEELO C=CCOCC(=O)N[C@H]1CC[N@H+]([C@H]2CCN(CC(F)(F)F)C2=O)[C@@H]1C ZINC001566082509 1269595543 /nfs/dbraw/zinc/59/55/43/1269595543.db2.gz FAJHYKMSPZRSQN-AGIUHOORSA-N 1 2 363.380 0.931 10 30 FCEELO C=CCOCC(=O)N[C@H]1CC[N@@H+]([C@H]2CCN(CC(F)(F)F)C2=O)[C@@H]1C ZINC001566082509 1269595549 /nfs/dbraw/zinc/59/55/49/1269595549.db2.gz FAJHYKMSPZRSQN-AGIUHOORSA-N 1 2 363.380 0.931 10 30 FCEELO C[C@@H]1[C@@H](NC(=O)[C@H]2CC(=O)Nc3ccccc32)CC[N@@H+]1CC(=O)NCC#N ZINC001566097703 1269599908 /nfs/dbraw/zinc/59/99/08/1269599908.db2.gz ICLDALHRHZGLSC-SNPRPXQTSA-N 1 2 369.425 0.331 10 30 FCEELO C[C@@H]1[C@@H](NC(=O)[C@H]2CC(=O)Nc3ccccc32)CC[N@H+]1CC(=O)NCC#N ZINC001566097703 1269599913 /nfs/dbraw/zinc/59/99/13/1269599913.db2.gz ICLDALHRHZGLSC-SNPRPXQTSA-N 1 2 369.425 0.331 10 30 FCEELO C[C@@H]1[C@@H](NC(=O)c2cnnn2-c2ccccc2)CC[N@@H+]1CC(=O)NCC#N ZINC001566104089 1269606170 /nfs/dbraw/zinc/60/61/70/1269606170.db2.gz KHSPOTPUAOBKJD-HIFRSBDPSA-N 1 2 367.413 0.100 10 30 FCEELO C[C@@H]1[C@@H](NC(=O)c2cnnn2-c2ccccc2)CC[N@H+]1CC(=O)NCC#N ZINC001566104089 1269606173 /nfs/dbraw/zinc/60/61/73/1269606173.db2.gz KHSPOTPUAOBKJD-HIFRSBDPSA-N 1 2 367.413 0.100 10 30 FCEELO C#CCNC(=O)[C@@H](C)[NH+]1CCN(CCNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)CC1 ZINC001566649260 1269654503 /nfs/dbraw/zinc/65/45/03/1269654503.db2.gz NLBZTDOQFNPJOK-AKHDSKFASA-N 1 2 372.513 0.460 10 30 FCEELO C=CCCO[C@H](C)C(=O)N[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1O ZINC001343235488 1269823234 /nfs/dbraw/zinc/82/32/34/1269823234.db2.gz ATHPOOJOXSLINA-KFWWJZLASA-N 1 2 364.446 0.022 10 30 FCEELO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@](CO)([NH2+]Cc2csnn2)C1 ZINC001570291661 1269864756 /nfs/dbraw/zinc/86/47/56/1269864756.db2.gz YSKWPYDCMYUZFU-IJEWVQPXSA-N 1 2 352.460 0.572 10 30 FCEELO C=CCOCCCC(=O)N1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001343494026 1269926105 /nfs/dbraw/zinc/92/61/05/1269926105.db2.gz KKYOUUDZXXKNIX-XOUADPBQSA-N 1 2 362.430 0.184 10 30 FCEELO C=CCOCCCC(=O)N1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@@H](O)C1 ZINC001343494026 1269926112 /nfs/dbraw/zinc/92/61/12/1269926112.db2.gz KKYOUUDZXXKNIX-XOUADPBQSA-N 1 2 362.430 0.184 10 30 FCEELO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1CC(NC(=O)CSCC#N)C1 ZINC001571730405 1269954846 /nfs/dbraw/zinc/95/48/46/1269954846.db2.gz NZKZOZHRCINZPV-NWINJMCUSA-N 1 2 361.471 0.791 10 30 FCEELO C#CC[NH+]1CCN(c2nnc(-c3cc(C)n(C)n3)n2C[C@H]2CCCO2)CC1 ZINC001343801645 1270015641 /nfs/dbraw/zinc/01/56/41/1270015641.db2.gz IHPACDPBNVRVGZ-MRXNPFEDSA-N 1 2 369.473 0.921 10 30 FCEELO C=C[C@](C)(O)CC(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001344207886 1270112467 /nfs/dbraw/zinc/11/24/67/1270112467.db2.gz BVNPOCPSADFURE-YHZMMZGRSA-N 1 2 360.458 0.862 10 30 FCEELO 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LVGMUHNYYIXANG-HLLBOEOZSA-N 1 2 358.442 0.449 10 30 FCEELO C=CCO[C@@H](C)C(=O)N1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]2C1 ZINC001290525485 1262463242 /nfs/dbraw/zinc/46/32/42/1262463242.db2.gz ARESPCYDFMHBRP-XHSDSOJGSA-N 1 2 360.458 0.861 10 30 FCEELO C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cc1[nH]cc[nH+]1 ZINC001292103167 1262645284 /nfs/dbraw/zinc/64/52/84/1262645284.db2.gz XMDRYYKZLZCFMX-FPCVCCKLSA-N 1 2 373.457 0.671 10 30 FCEELO C=C[C@@H]1OCC[C@H]1C(=O)NC/C=C\CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001298455209 1262928788 /nfs/dbraw/zinc/92/87/88/1262928788.db2.gz CQCBPGQPVHPBPG-PEZRCEFLSA-N 1 2 358.442 0.825 10 30 FCEELO C#CC[NH+]1CCN(c2nnc(CC3CC3)n2CC[C@H]2COCCO2)CC1 ZINC001300705863 1262995764 /nfs/dbraw/zinc/99/57/64/1262995764.db2.gz DGRPUPZRFPSJPV-KRWDZBQOSA-N 1 2 359.474 0.791 10 30 FCEELO C#CC[NH+]1CCN(c2nnc(CC3CC3)n2C[C@]2(C)CN(C)C2=O)CC1 ZINC001300706978 1262995882 /nfs/dbraw/zinc/99/58/82/1262995882.db2.gz VFIWSMAILAYWJN-IBGZPJMESA-N 1 2 356.474 0.464 10 30 FCEELO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cc2nc(C)sc2C)[C@@H](O)C1 ZINC001479131931 1263170195 /nfs/dbraw/zinc/17/01/95/1263170195.db2.gz DMVFDTYIJZLXMP-KMUNFCNLSA-N 1 2 366.487 0.154 10 30 FCEELO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2nc(C)sc2C)[C@@H](O)C1 ZINC001479131931 1263170199 /nfs/dbraw/zinc/17/01/99/1263170199.db2.gz DMVFDTYIJZLXMP-KMUNFCNLSA-N 1 2 366.487 0.154 10 30 FCEELO C#CCNC(=O)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H](C)OC)C1 ZINC001479616829 1263272800 /nfs/dbraw/zinc/27/28/00/1263272800.db2.gz IGVKUIFEODSGJQ-KBAYOESNSA-N 1 2 357.454 0.745 10 30 FCEELO C#CCNC(=O)C[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H](C)OC)C1 ZINC001479616829 1263272806 /nfs/dbraw/zinc/27/28/06/1263272806.db2.gz IGVKUIFEODSGJQ-KBAYOESNSA-N 1 2 357.454 0.745 10 30 FCEELO CC[C@@H]1[C@@H](NC(=O)c2ccc3[nH]ccc3n2)CC[N@@H+]1CC(=O)NCC#N ZINC001479638959 1263288825 /nfs/dbraw/zinc/28/88/25/1263288825.db2.gz YNWLPFZZKFTWMA-GOEBONIOSA-N 1 2 354.414 0.785 10 30 FCEELO CC[C@@H]1[C@@H](NC(=O)c2ccc3[nH]ccc3n2)CC[N@H+]1CC(=O)NCC#N ZINC001479638959 1263288828 /nfs/dbraw/zinc/28/88/28/1263288828.db2.gz YNWLPFZZKFTWMA-GOEBONIOSA-N 1 2 354.414 0.785 10 30 FCEELO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2coc(Br)c2)[C@H]1C ZINC001479710391 1263368677 /nfs/dbraw/zinc/36/86/77/1263368677.db2.gz QZOHMRMNEJJLFI-PWSUYJOCSA-N 1 2 368.231 0.984 10 30 FCEELO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2coc(Br)c2)[C@H]1C ZINC001479710391 1263368684 /nfs/dbraw/zinc/36/86/84/1263368684.db2.gz QZOHMRMNEJJLFI-PWSUYJOCSA-N 1 2 368.231 0.984 10 30 FCEELO C#CCNC(=O)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCOC2)C1 ZINC001316641526 1263388208 /nfs/dbraw/zinc/38/82/08/1263388208.db2.gz GHRYYKHGBTUPFR-FGTMMUONSA-N 1 2 355.438 0.357 10 30 FCEELO C#CCNC(=O)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCOC2)C1 ZINC001316641526 1263388217 /nfs/dbraw/zinc/38/82/17/1263388217.db2.gz GHRYYKHGBTUPFR-FGTMMUONSA-N 1 2 355.438 0.357 10 30 FCEELO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc(C(N)=O)s2)[C@H]1C ZINC001479721461 1263392208 /nfs/dbraw/zinc/39/22/08/1263392208.db2.gz IEBFMHVIRPZZAY-MNOVXSKESA-N 1 2 350.444 0.342 10 30 FCEELO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C(N)=O)s2)[C@H]1C ZINC001479721461 1263392214 /nfs/dbraw/zinc/39/22/14/1263392214.db2.gz IEBFMHVIRPZZAY-MNOVXSKESA-N 1 2 350.444 0.342 10 30 FCEELO N#CCNC(=O)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001316645331 1263392813 /nfs/dbraw/zinc/39/28/13/1263392813.db2.gz ROZAIIUBTBKDKJ-DOEOUOAPSA-N 1 2 368.437 0.103 10 30 FCEELO N#CCNC(=O)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001316645331 1263392821 /nfs/dbraw/zinc/39/28/21/1263392821.db2.gz ROZAIIUBTBKDKJ-DOEOUOAPSA-N 1 2 368.437 0.103 10 30 FCEELO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](CC(N)=O)CC[C@@H]1c1cccc(F)c1 ZINC001316726188 1263437973 /nfs/dbraw/zinc/43/79/73/1263437973.db2.gz FAVSEGCEBGEBSK-MDZRGWNJSA-N 1 2 363.433 0.912 10 30 FCEELO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CC(N)=O)CC[C@@H]1c1cccc(F)c1 ZINC001316726188 1263437977 /nfs/dbraw/zinc/43/79/77/1263437977.db2.gz FAVSEGCEBGEBSK-MDZRGWNJSA-N 1 2 363.433 0.912 10 30 FCEELO C=C[C@@H]1OCC[C@H]1C(=O)N(CCC)[C@H]1CC[N@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001481407178 1263441327 /nfs/dbraw/zinc/44/13/27/1263441327.db2.gz AAMGUGPGZORONU-ZNMIVQPWSA-N 1 2 363.462 0.512 10 30 FCEELO C=C[C@@H]1OCC[C@H]1C(=O)N(CCC)[C@H]1CC[N@@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001481407178 1263441332 /nfs/dbraw/zinc/44/13/32/1263441332.db2.gz AAMGUGPGZORONU-ZNMIVQPWSA-N 1 2 363.462 0.512 10 30 FCEELO CC[C@@H]1[C@@H](NC(=O)c2cn3c(cccc3C)n2)CC[N@@H+]1CC(=O)NCC#N ZINC001316740238 1263447919 /nfs/dbraw/zinc/44/79/19/1263447919.db2.gz CWFWNNVLAALWIX-GOEBONIOSA-N 1 2 368.441 0.865 10 30 FCEELO CC[C@@H]1[C@@H](NC(=O)c2cn3c(cccc3C)n2)CC[N@H+]1CC(=O)NCC#N ZINC001316740238 1263447923 /nfs/dbraw/zinc/44/79/23/1263447923.db2.gz CWFWNNVLAALWIX-GOEBONIOSA-N 1 2 368.441 0.865 10 30 FCEELO C#CCN(C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C1CC[NH+](Cc2cn(C)nn2)CC1 ZINC001483987343 1263451906 /nfs/dbraw/zinc/45/19/06/1263451906.db2.gz MSKVEVQMKUJYRQ-KURKYZTESA-N 1 2 357.458 0.809 10 30 FCEELO C#CCN(C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001483987626 1263452697 /nfs/dbraw/zinc/45/26/97/1263452697.db2.gz XSNMODWQUMGABO-ZACQAIPSSA-N 1 2 368.499 0.525 10 30 FCEELO CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC[C@@]1(O)CC[N@H+](CC(=O)NCC#N)C1 ZINC001484216733 1263459834 /nfs/dbraw/zinc/45/98/34/1263459834.db2.gz OCECHZXCGIGFAV-IYOUNJFTSA-N 1 2 350.463 0.251 10 30 FCEELO CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)NCC#N)C1 ZINC001484216733 1263459839 /nfs/dbraw/zinc/45/98/39/1263459839.db2.gz OCECHZXCGIGFAV-IYOUNJFTSA-N 1 2 350.463 0.251 10 30 FCEELO N#Cc1ccccc1CN1CC(O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001484278395 1263464737 /nfs/dbraw/zinc/46/47/37/1263464737.db2.gz LCSXBWNKBVNJID-HZPDHXFCSA-N 1 2 351.410 0.748 10 30 FCEELO N#Cc1ccccc1CN1CC(O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001484278395 1263464740 /nfs/dbraw/zinc/46/47/40/1263464740.db2.gz LCSXBWNKBVNJID-HZPDHXFCSA-N 1 2 351.410 0.748 10 30 FCEELO C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1CC(=O)NCc1ccco1 ZINC001316780461 1263471179 /nfs/dbraw/zinc/47/11/79/1263471179.db2.gz UJKJDMJNMJUQQJ-DOMZBBRYSA-N 1 2 355.398 0.988 10 30 FCEELO C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@H+]1CC(=O)NCc1ccco1 ZINC001316780461 1263471184 /nfs/dbraw/zinc/47/11/84/1263471184.db2.gz UJKJDMJNMJUQQJ-DOMZBBRYSA-N 1 2 355.398 0.988 10 30 FCEELO C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)[N@H+](C)Cc1cc(F)ccc1C#N ZINC001485349841 1263501592 /nfs/dbraw/zinc/50/15/92/1263501592.db2.gz IZESKNKSXNXOLY-XFBWCDHKSA-N 1 2 362.405 0.667 10 30 FCEELO C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)[N@@H+](C)Cc1cc(F)ccc1C#N ZINC001485349841 1263501599 /nfs/dbraw/zinc/50/15/99/1263501599.db2.gz IZESKNKSXNXOLY-XFBWCDHKSA-N 1 2 362.405 0.667 10 30 FCEELO COc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@@H](C)C1C[NH+](CC(=O)NCC#N)C1 ZINC001485527626 1263510090 /nfs/dbraw/zinc/51/00/90/1263510090.db2.gz VRJNFTFMPJXYPT-RRQGHBQHSA-N 1 2 370.453 0.875 10 30 FCEELO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]Cc1noc2c1COCC2 ZINC001486043041 1263525435 /nfs/dbraw/zinc/52/54/35/1263525435.db2.gz CRZKRWAUAAGSDC-DCGLDWPTSA-N 1 2 365.430 0.295 10 30 FCEELO C=C[C@](C)(O)CC(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001487419109 1263603159 /nfs/dbraw/zinc/60/31/59/1263603159.db2.gz WUXIMLQHCNGNFW-GEVJBBTPSA-N 1 2 360.458 0.862 10 30 FCEELO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccncc2)C1 ZINC001494755891 1263780493 /nfs/dbraw/zinc/78/04/93/1263780493.db2.gz CTGNVYUDDXGHBB-OWCLPIDISA-N 1 2 371.441 0.387 10 30 FCEELO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccncc2)C1 ZINC001494755891 1263780497 /nfs/dbraw/zinc/78/04/97/1263780497.db2.gz CTGNVYUDDXGHBB-OWCLPIDISA-N 1 2 371.441 0.387 10 30 FCEELO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCN(C)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC001496088915 1263853020 /nfs/dbraw/zinc/85/30/20/1263853020.db2.gz GEZWHOSWKIIVSX-HOTGVXAUSA-N 1 2 367.490 0.653 10 30 FCEELO C#Cc1ccc(C(=O)NCCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)nc1 ZINC001496343691 1263874368 /nfs/dbraw/zinc/87/43/68/1263874368.db2.gz OLZGLQRRESFBSC-HUUCEWRRSA-N 1 2 351.410 0.788 10 30 FCEELO C#CCN(C(=O)[C@H]1C[C@H]1C(N)=O)C1CC[NH+]([C@@H](C)c2nc(C)no2)CC1 ZINC001500047520 1264054033 /nfs/dbraw/zinc/05/40/33/1264054033.db2.gz RNOIYNPQCNHLOC-GLQYFDAESA-N 1 2 359.430 0.487 10 30 FCEELO C#CC[NH+]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](C)OC)CC1 ZINC001507726214 1264385371 /nfs/dbraw/zinc/38/53/71/1264385371.db2.gz HUKJSGYXHJERJI-KRWDZBQOSA-N 1 2 371.489 0.930 10 30 FCEELO C#CC[NH+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(O)CC2)CC1 ZINC001507725917 1264385434 /nfs/dbraw/zinc/38/54/34/1264385434.db2.gz DCUHBUTVPNOWSH-UHFFFAOYSA-N 1 2 369.473 0.420 10 30 FCEELO C#CC[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@]2(C)CN(C)C2=O)CC1 ZINC001507724295 1264386493 /nfs/dbraw/zinc/38/64/93/1264386493.db2.gz BPQPTMFNHOHUSS-IBGZPJMESA-N 1 2 367.457 0.507 10 30 FCEELO C=CC(C)(C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001512988490 1264801133 /nfs/dbraw/zinc/80/11/33/1264801133.db2.gz KQYKRAWIHGGTGM-RRFJBIMHSA-N 1 2 360.458 0.736 10 30 FCEELO C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1OC ZINC001513363551 1265062929 /nfs/dbraw/zinc/06/29/29/1265062929.db2.gz ICNATADUTJJRHK-IIDMSEBBSA-N 1 2 364.446 0.332 10 30 FCEELO C#CCO[C@H](C)C(=O)N1C[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@H](OC)C1 ZINC001513388612 1265084819 /nfs/dbraw/zinc/08/48/19/1265084819.db2.gz DYKBQSCROGDVTP-BZUAXINKSA-N 1 2 362.430 0.044 10 30 FCEELO C=CCCO[C@H](C)C(=O)N[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1O ZINC001513469672 1265139797 /nfs/dbraw/zinc/13/97/97/1265139797.db2.gz NCQMFWRCBBNYCG-BMFZPTHFSA-N 1 2 364.446 0.022 10 30 FCEELO C#CCOCCNC(=O)C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC001332639565 1266448458 /nfs/dbraw/zinc/44/84/58/1266448458.db2.gz HHPHFYFHJMUPAD-INIZCTEOSA-N 1 2 359.426 0.152 10 30 FCEELO C#CCOCCNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC001332639565 1266448462 /nfs/dbraw/zinc/44/84/62/1266448462.db2.gz HHPHFYFHJMUPAD-INIZCTEOSA-N 1 2 359.426 0.152 10 30 FCEELO CC(C)[C@H](CNC(=O)C(=O)N1Cc2ccc(C#N)cc2C1)[NH+]1CCOCC1 ZINC001332990223 1266517344 /nfs/dbraw/zinc/51/73/44/1266517344.db2.gz AYZNNFYKWJGHHR-SFHVURJKSA-N 1 2 370.453 0.873 10 30 FCEELO C#CC[NH+]1CCN(c2nnc(-c3nn[nH]n3)n2Cc2cccs2)CC1 ZINC001525506010 1266761007 /nfs/dbraw/zinc/76/10/07/1266761007.db2.gz ZPCUBKGVBCAASF-UHFFFAOYSA-N 1 2 355.431 0.323 10 30 FCEELO C[N@@H+]1C[C@H](O)C[C@]1(C)c1nnc(N2CCC[C@@H](C#N)C2)n1C[C@@H]1CCOC1 ZINC001526326706 1266800297 /nfs/dbraw/zinc/80/02/97/1266800297.db2.gz JCNSALFYXYRNMV-YIOZNXECSA-N 1 2 374.489 0.966 10 30 FCEELO C[N@H+]1C[C@H](O)C[C@]1(C)c1nnc(N2CCC[C@@H](C#N)C2)n1C[C@@H]1CCOC1 ZINC001526326706 1266800309 /nfs/dbraw/zinc/80/03/09/1266800309.db2.gz JCNSALFYXYRNMV-YIOZNXECSA-N 1 2 374.489 0.966 10 30 FCEELO C=CCn1cc(C(=O)N[C@H](C)CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)nn1 ZINC001527620374 1266910520 /nfs/dbraw/zinc/91/05/20/1266910520.db2.gz ABRZOSQTZVMDKU-JHJVBQTASA-N 1 2 357.418 0.616 10 30 FCEELO C=CCn1cc(C(=O)N[C@H](C)CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)nn1 ZINC001527620374 1266910526 /nfs/dbraw/zinc/91/05/26/1266910526.db2.gz ABRZOSQTZVMDKU-JHJVBQTASA-N 1 2 357.418 0.616 10 30 FCEELO C=CCCC(=O)N1CC[NH+](CCN(C)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001530111312 1267096545 /nfs/dbraw/zinc/09/65/45/1267096545.db2.gz ZPBKYAPYNJBNQD-BCDMZGRMSA-N 1 2 361.486 0.979 10 30 FCEELO C=CCCC(=O)N(C)CCN(C)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001532917621 1267191660 /nfs/dbraw/zinc/19/16/60/1267191660.db2.gz LFIUEEBFTAIXQO-SJORKVTESA-N 1 2 367.490 0.749 10 30 FCEELO C#CCOCCC(=O)N[C@]1(C)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001536818101 1267339757 /nfs/dbraw/zinc/33/97/57/1267339757.db2.gz BXGGONAPBPTDQN-SPYBWZPUSA-N 1 2 358.442 0.671 10 30 FCEELO C#CC[NH+]1CCN(c2nnc(C)n2Cc2ccc(NC(C)=O)nc2)CC1 ZINC001539430295 1267427464 /nfs/dbraw/zinc/42/74/64/1267427464.db2.gz HYJXLPQIAIFCPC-UHFFFAOYSA-N 1 2 353.430 0.743 10 30 FCEELO C#CC[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCCOCC)CC1 ZINC001539446054 1267428367 /nfs/dbraw/zinc/42/83/67/1267428367.db2.gz PDEGFBWZOPDKIY-MRXNPFEDSA-N 1 2 374.489 0.801 10 30 FCEELO C#CC[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](COC)OC)CC1 ZINC001539444887 1267428413 /nfs/dbraw/zinc/42/84/13/1267428413.db2.gz XCUBZQAWPFQCGF-INIZCTEOSA-N 1 2 373.461 0.095 10 30 FCEELO C#CC[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCOCC)CC1 ZINC001539446053 1267428771 /nfs/dbraw/zinc/42/87/71/1267428771.db2.gz PDEGFBWZOPDKIY-INIZCTEOSA-N 1 2 374.489 0.801 10 30 FCEELO C=CCn1c([C@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CCN(C(=O)C(C)C)CC1 ZINC001338769444 1268081983 /nfs/dbraw/zinc/08/19/83/1268081983.db2.gz AEVCNKIBQIADCO-LSDHHAIUSA-N 1 2 362.478 0.506 10 30 FCEELO C=CCn1c([C@H]2C[C@H](O)C[N@H+]2C)nnc1N1CCN(C(=O)C(C)C)CC1 ZINC001338769444 1268081995 /nfs/dbraw/zinc/08/19/95/1268081995.db2.gz AEVCNKIBQIADCO-LSDHHAIUSA-N 1 2 362.478 0.506 10 30 FCEELO C=CCn1c([C@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CCN(C(=O)N(C)C)CC1 ZINC001338771338 1268084271 /nfs/dbraw/zinc/08/42/71/1268084271.db2.gz HTDBVMQWMJLQNQ-ZIAGYGMSSA-N 1 2 363.466 0.005 10 30 FCEELO C=CCn1c([C@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CCN(C(=O)N(C)C)CC1 ZINC001338771338 1268084280 /nfs/dbraw/zinc/08/42/80/1268084280.db2.gz HTDBVMQWMJLQNQ-ZIAGYGMSSA-N 1 2 363.466 0.005 10 30 FCEELO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CCC(N2CCCC2=O)CC1 ZINC001338772035 1268086387 /nfs/dbraw/zinc/08/63/87/1268086387.db2.gz JPEIVSLQXPHTQO-CVEARBPZSA-N 1 2 374.489 0.793 10 30 FCEELO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CCC(N2CCCC2=O)CC1 ZINC001338772035 1268086397 /nfs/dbraw/zinc/08/63/97/1268086397.db2.gz JPEIVSLQXPHTQO-CVEARBPZSA-N 1 2 374.489 0.793 10 30 FCEELO C=CCn1c(N2CCN(C3CC3)C(=O)C2)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001339194985 1268182343 /nfs/dbraw/zinc/18/23/43/1268182343.db2.gz FHCUMEXKQNKBTM-KBXCAEBGSA-N 1 2 360.462 0.187 10 30 FCEELO C=CCn1c(N2CCN(C3CC3)C(=O)C2)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001339194985 1268182348 /nfs/dbraw/zinc/18/23/48/1268182348.db2.gz FHCUMEXKQNKBTM-KBXCAEBGSA-N 1 2 360.462 0.187 10 30 FCEELO C=CCn1c(N2CC[C@@H]3NC(=O)CC[C@@H]3C2)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001339196396 1268183679 /nfs/dbraw/zinc/18/36/79/1268183679.db2.gz MARHYMRLMVFXQH-BKEDOTJMSA-N 1 2 374.489 0.481 10 30 FCEELO C=CCn1c(N2CC[C@@H]3NC(=O)CC[C@@H]3C2)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001339196396 1268183682 /nfs/dbraw/zinc/18/36/82/1268183682.db2.gz MARHYMRLMVFXQH-BKEDOTJMSA-N 1 2 374.489 0.481 10 30 FCEELO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N(C)CCNC(=O)C(C)C ZINC001339530466 1268262355 /nfs/dbraw/zinc/26/23/55/1268262355.db2.gz NNOUBNJFULGKJL-KGLIPLIRSA-N 1 2 350.467 0.410 10 30 FCEELO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N(C)CCNC(=O)C(C)C ZINC001339530466 1268262364 /nfs/dbraw/zinc/26/23/64/1268262364.db2.gz NNOUBNJFULGKJL-KGLIPLIRSA-N 1 2 350.467 0.410 10 30 FCEELO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CCC(C(=O)OCC)CC1 ZINC001339532789 1268262568 /nfs/dbraw/zinc/26/25/68/1268262568.db2.gz ZFTYBQLWTMRSGS-CABCVRRESA-N 1 2 363.462 0.981 10 30 FCEELO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CCC(C(=O)OCC)CC1 ZINC001339532789 1268262580 /nfs/dbraw/zinc/26/25/80/1268262580.db2.gz ZFTYBQLWTMRSGS-CABCVRRESA-N 1 2 363.462 0.981 10 30 FCEELO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N(C[C@H]1CCC(=O)N1)C(C)C ZINC001340259134 1268489890 /nfs/dbraw/zinc/48/98/90/1268489890.db2.gz TYBCGFFQEXDWTH-KFWWJZLASA-N 1 2 362.478 0.695 10 30 FCEELO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N(C[C@H]1CCC(=O)N1)C(C)C ZINC001340259134 1268489896 /nfs/dbraw/zinc/48/98/96/1268489896.db2.gz TYBCGFFQEXDWTH-KFWWJZLASA-N 1 2 362.478 0.695 10 30 FCEELO C#CCOCCC(=O)N1C[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001341070496 1268770054 /nfs/dbraw/zinc/77/00/54/1268770054.db2.gz LBMVPCAMYQTWIZ-XYJFISCASA-N 1 2 370.453 0.545 10 30 FCEELO C=CCOCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001341647574 1269130337 /nfs/dbraw/zinc/13/03/37/1269130337.db2.gz YOJIJZXYACPNCD-IAGOWNOFSA-N 1 2 370.409 0.376 10 30 FCEELO C=CCC1(O)CC[NH+](CC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC001560155475 1269192672 /nfs/dbraw/zinc/19/26/72/1269192672.db2.gz MHXHKKWBLRWLBU-UHFFFAOYSA-N 1 2 353.444 0.676 10 30 FCEELO C=C(C)Cn1c(N(C)CC(=O)NC(C)C)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001342520868 1269500565 /nfs/dbraw/zinc/50/05/65/1269500565.db2.gz BLCBJWGCEWPNOY-RDTXWAMCSA-N 1 2 364.494 0.727 10 30 FCEELO C=C(C)Cn1c(N(C)CC(=O)NC(C)C)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001342520868 1269500572 /nfs/dbraw/zinc/50/05/72/1269500572.db2.gz BLCBJWGCEWPNOY-RDTXWAMCSA-N 1 2 364.494 0.727 10 30 FCEELO Cc1c[nH]nc1C(=O)N[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1c1ccccc1 ZINC001565882756 1269501997 /nfs/dbraw/zinc/50/19/97/1269501997.db2.gz KSMVDDWHSITOMQ-JKSUJKDBSA-N 1 2 366.425 0.556 10 30 FCEELO Cc1c[nH]nc1C(=O)N[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1c1ccccc1 ZINC001565882756 1269502002 /nfs/dbraw/zinc/50/20/02/1269502002.db2.gz KSMVDDWHSITOMQ-JKSUJKDBSA-N 1 2 366.425 0.556 10 30 FCEELO N#CCNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cncc3nc[nH]c32)C1 ZINC001565895884 1269509538 /nfs/dbraw/zinc/50/95/38/1269509538.db2.gz LVGYIWYYMNASFK-NWDGAFQWSA-N 1 2 355.402 0.086 10 30 FCEELO CC[C@@H]1[C@@H](NC(=O)c2cnc3n2CCCC3)CC[N@@H+]1CC(=O)NCC#N ZINC001566020043 1269558000 /nfs/dbraw/zinc/55/80/00/1269558000.db2.gz AEGSLGNJQATORB-UONOGXRCSA-N 1 2 358.446 0.442 10 30 FCEELO CC[C@@H]1[C@@H](NC(=O)c2cnc3n2CCCC3)CC[N@H+]1CC(=O)NCC#N ZINC001566020043 1269558003 /nfs/dbraw/zinc/55/80/03/1269558003.db2.gz AEGSLGNJQATORB-UONOGXRCSA-N 1 2 358.446 0.442 10 30 FCEELO C[C@@H]1[C@@H](NC(=O)COc2ccc(F)cc2F)CC[N@@H+]1CC(=O)NCC#N ZINC001566092518 1269596867 /nfs/dbraw/zinc/59/68/67/1269596867.db2.gz ZEAABVMCEBYUHQ-RISCZKNCSA-N 1 2 366.368 0.562 10 30 FCEELO C[C@@H]1[C@@H](NC(=O)COc2ccc(F)cc2F)CC[N@H+]1CC(=O)NCC#N ZINC001566092518 1269596874 /nfs/dbraw/zinc/59/68/74/1269596874.db2.gz ZEAABVMCEBYUHQ-RISCZKNCSA-N 1 2 366.368 0.562 10 30 FCEELO Cc1c(Cl)c(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)[C@@H]2C)nn1C ZINC001566103839 1269606320 /nfs/dbraw/zinc/60/63/20/1269606320.db2.gz ANCNEXAXKMYGFU-KOLCDFICSA-N 1 2 352.826 0.214 10 30 FCEELO Cc1c(Cl)c(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)[C@@H]2C)nn1C ZINC001566103839 1269606326 /nfs/dbraw/zinc/60/63/26/1269606326.db2.gz ANCNEXAXKMYGFU-KOLCDFICSA-N 1 2 352.826 0.214 10 30 FCEELO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC(=O)NCCC)[C@@H]2C)nc1 ZINC001566109476 1269609863 /nfs/dbraw/zinc/60/98/63/1269609863.db2.gz OHTNOWUHBQYLLY-HIFRSBDPSA-N 1 2 371.441 0.491 10 30 FCEELO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC(=O)NC(=O)NCCC)[C@@H]2C)nc1 ZINC001566109476 1269609872 /nfs/dbraw/zinc/60/98/72/1269609872.db2.gz OHTNOWUHBQYLLY-HIFRSBDPSA-N 1 2 371.441 0.491 10 30 FCEELO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)C1 ZINC001566665546 1269655746 /nfs/dbraw/zinc/65/57/46/1269655746.db2.gz XXTCXRRDZOPHJC-QXAKKESOSA-N 1 2 371.437 0.083 10 30 FCEELO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)C1 ZINC001566665546 1269655752 /nfs/dbraw/zinc/65/57/52/1269655752.db2.gz XXTCXRRDZOPHJC-QXAKKESOSA-N 1 2 371.437 0.083 10 30 FCEELO C=CCNC(=O)[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001566753534 1269662903 /nfs/dbraw/zinc/66/29/03/1269662903.db2.gz OWDDLBVIBANRAH-BGNOBWFTSA-N 1 2 359.470 0.776 10 30 FCEELO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001566753534 1269662907 /nfs/dbraw/zinc/66/29/07/1269662907.db2.gz OWDDLBVIBANRAH-BGNOBWFTSA-N 1 2 359.470 0.776 10 30 FCEELO C#CCO[C@@H](C)C(=O)N[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1OC ZINC001342888499 1269664358 /nfs/dbraw/zinc/66/43/58/1269664358.db2.gz XGFQNIDRTSTLFQ-SQWLQELKSA-N 1 2 370.409 0.328 10 30 FCEELO CO[C@@H]1CN(C(=O)CSCC#N)C[C@H]1NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 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FCEELO C=CCn1c(N2CCO[C@]3(CCOC3)C2)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001339198189 1268184026 /nfs/dbraw/zinc/18/40/26/1268184026.db2.gz VNJLTTAFJZJPIC-FHLIZLRMSA-N 1 2 363.462 0.371 10 30 FCEELO C=CCn1c(N2CCO[C@]3(CCOC3)C2)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001339198189 1268184029 /nfs/dbraw/zinc/18/40/29/1268184029.db2.gz VNJLTTAFJZJPIC-FHLIZLRMSA-N 1 2 363.462 0.371 10 30 FCEELO C=CCn1c(N2CC[C@@H]3NC(=O)CC[C@@H]3C2)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001339196400 1268184037 /nfs/dbraw/zinc/18/40/37/1268184037.db2.gz MARHYMRLMVFXQH-MMMWYMCRSA-N 1 2 374.489 0.481 10 30 FCEELO C=CCn1c(N2CC[C@@H]3NC(=O)CC[C@@H]3C2)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001339196400 1268184040 /nfs/dbraw/zinc/18/40/40/1268184040.db2.gz MARHYMRLMVFXQH-MMMWYMCRSA-N 1 2 374.489 0.481 10 30 FCEELO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 ZINC001339530068 1268263040 /nfs/dbraw/zinc/26/30/40/1268263040.db2.gz LUWJWHOIVUAIBM-PMPSAXMXSA-N 1 2 362.478 0.506 10 30 FCEELO 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C=CCn1c(N(C)CC(=O)NC(C)C)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001340572625 1268590209 /nfs/dbraw/zinc/59/02/09/1268590209.db2.gz UBQJAAMVJDDDAL-GUYCJALGSA-N 1 2 350.467 0.337 10 30 FCEELO C=CCn1c(N(C)CC(=O)NC(C)C)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001340572625 1268590213 /nfs/dbraw/zinc/59/02/13/1268590213.db2.gz UBQJAAMVJDDDAL-GUYCJALGSA-N 1 2 350.467 0.337 10 30 FCEELO C=CCn1c(N(C)CCNC(=O)C(C)C)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001340573084 1268590262 /nfs/dbraw/zinc/59/02/62/1268590262.db2.gz VNFVEYADYXFFAH-KSSFIOAISA-N 1 2 364.494 0.584 10 30 FCEELO C=CCn1c(N(C)CCNC(=O)C(C)C)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001340573084 1268590271 /nfs/dbraw/zinc/59/02/71/1268590271.db2.gz VNFVEYADYXFFAH-KSSFIOAISA-N 1 2 364.494 0.584 10 30 FCEELO C=CCn1c(N(C)CCNC(=O)C(C)C)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001340573086 1268590671 /nfs/dbraw/zinc/59/06/71/1268590671.db2.gz VNFVEYADYXFFAH-RDTXWAMCSA-N 1 2 364.494 0.584 10 30 FCEELO C=CCn1c(N(C)CCNC(=O)C(C)C)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001340573086 1268590675 /nfs/dbraw/zinc/59/06/75/1268590675.db2.gz VNFVEYADYXFFAH-RDTXWAMCSA-N 1 2 364.494 0.584 10 30 FCEELO C=CCn1c(N2CCC3(CCNC3=O)CC2)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001340716911 1268633373 /nfs/dbraw/zinc/63/33/73/1268633373.db2.gz VIPKMMZTAGOZAW-RDTXWAMCSA-N 1 2 374.489 0.482 10 30 FCEELO C=CCn1c(N2CCC3(CCNC3=O)CC2)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001340716911 1268633378 /nfs/dbraw/zinc/63/33/78/1268633378.db2.gz VIPKMMZTAGOZAW-RDTXWAMCSA-N 1 2 374.489 0.482 10 30 FCEELO C=CCn1c(N2CCN(c3cc[nH+]c(C)n3)CC2)nnc1[C@]1(O)CCOC1 ZINC001340772866 1268651361 /nfs/dbraw/zinc/65/13/61/1268651361.db2.gz VCVYOWAYWMLYOD-SFHVURJKSA-N 1 2 371.445 0.497 10 30 FCEELO C#CCOCCC(=O)N1C[C@@H]2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC001341070717 1268770932 /nfs/dbraw/zinc/77/09/32/1268770932.db2.gz MNUYJRHMOKXLPS-XYJFISCASA-N 1 2 370.453 0.545 10 30 FCEELO Cc1nc(N2CCN(C(=O)C(=O)NCc3ccc(C#N)cc3)CC2)cc[nH+]1 ZINC001341415984 1268983611 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365.499 0.647 10 30 FCEELO C=CCN(C(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000637945129 492882847 /nfs/dbraw/zinc/88/28/47/492882847.db2.gz QJPPFUMCLYDGBS-IRXDYDNUSA-N 1 2 365.499 0.647 10 30 FCEELO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCO[C@@H](CC(N)=O)C2)c(OC)c1 ZINC000626083592 492929000 /nfs/dbraw/zinc/92/90/00/492929000.db2.gz XYQGGTUKLJEPIK-HOTGVXAUSA-N 1 2 364.442 0.740 10 30 FCEELO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCO[C@@H](CC(N)=O)C2)c(OC)c1 ZINC000626083592 492929006 /nfs/dbraw/zinc/92/90/06/492929006.db2.gz XYQGGTUKLJEPIK-HOTGVXAUSA-N 1 2 364.442 0.740 10 30 FCEELO C=CC(C)(C)CCNC(=O)C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000632749184 493084034 /nfs/dbraw/zinc/08/40/34/493084034.db2.gz TVBJSIQRTKJVKL-UHFFFAOYSA-N 1 2 359.474 0.882 10 30 FCEELO C=C(C)CS(=O)(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000189650596 526676896 /nfs/dbraw/zinc/67/68/96/526676896.db2.gz NXNSRXCNHIUEHA-MRXNPFEDSA-N 1 2 354.472 0.950 10 30 FCEELO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)CC1 ZINC000180706313 528338114 /nfs/dbraw/zinc/33/81/14/528338114.db2.gz ZLTVHCBGPCHGBU-UKRRQHHQSA-N 1 2 362.396 0.678 10 30 FCEELO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@](O)(C(F)(F)F)C2)CC1 ZINC000180706313 528338120 /nfs/dbraw/zinc/33/81/20/528338120.db2.gz ZLTVHCBGPCHGBU-UKRRQHHQSA-N 1 2 362.396 0.678 10 30 FCEELO COCCN(CCC#N)S(=O)(=O)N1CC[N@H+](CCOC)CC1(C)C ZINC000593657468 546728932 /nfs/dbraw/zinc/72/89/32/546728932.db2.gz NDVRZPDYSPJXMM-UHFFFAOYSA-N 1 2 362.496 0.136 10 30 FCEELO COCCN(CCC#N)S(=O)(=O)N1CC[N@@H+](CCOC)CC1(C)C ZINC000593657468 546728935 /nfs/dbraw/zinc/72/89/35/546728935.db2.gz NDVRZPDYSPJXMM-UHFFFAOYSA-N 1 2 362.496 0.136 10 30 FCEELO CN(C)C(=O)C[NH+]1CCC(NS(=O)(=O)c2ccsc2C#N)CC1 ZINC000593541031 546971845 /nfs/dbraw/zinc/97/18/45/546971845.db2.gz HLZQSVYEHPDOGP-UHFFFAOYSA-N 1 2 356.473 0.451 10 30 FCEELO C#C[C@H]([NH2+]CC(=O)Nc1cc(S(C)(=O)=O)ccc1F)[C@@H]1CCCO1 ZINC000775793012 668230587 /nfs/dbraw/zinc/23/05/87/668230587.db2.gz UMBMLKNGGMARJJ-ZFWWWQNUSA-N 1 2 354.403 0.938 10 30 FCEELO N#Cc1ccc([C@@H](O)C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)cc1 ZINC000780906832 668494249 /nfs/dbraw/zinc/49/42/49/668494249.db2.gz LHDLNXRQKWPZBS-SJLPKXTDSA-N 1 2 361.467 0.916 10 30 FCEELO C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCc3c[nH+]cn3C2)cc1 ZINC000804331556 669375677 /nfs/dbraw/zinc/37/56/77/669375677.db2.gz BNMCMMSRAJTTNL-AWEZNQCLSA-N 1 2 358.423 0.539 10 30 FCEELO N#Cc1cc(F)cc(S(=O)(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1 ZINC000867068739 669812333 /nfs/dbraw/zinc/81/23/33/669812333.db2.gz BGDXCDOQSUZQKU-JKSUJKDBSA-N 1 2 353.419 0.917 10 30 FCEELO CC(=NNCCCn1cc[nH+]c1)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000848416472 671273901 /nfs/dbraw/zinc/27/39/01/671273901.db2.gz MDXMTFRRWNITNJ-UHFFFAOYSA-N 1 2 363.443 0.546 10 30 FCEELO C#CC[N@@H+](C[C@H](O)P(=O)(OCC)OCC)[C@@H]1CCS(=O)(=O)C1 ZINC000851839722 671472906 /nfs/dbraw/zinc/47/29/06/671472906.db2.gz BWAAXDDFVXTWNS-CHWSQXEVSA-N 1 2 353.377 0.693 10 30 FCEELO C#CC[N@H+](C[C@H](O)P(=O)(OCC)OCC)[C@@H]1CCS(=O)(=O)C1 ZINC000851839722 671472908 /nfs/dbraw/zinc/47/29/08/671472908.db2.gz BWAAXDDFVXTWNS-CHWSQXEVSA-N 1 2 353.377 0.693 10 30 FCEELO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@](O)(Cc2nc(CC)no2)C1 ZINC000856670457 671694299 /nfs/dbraw/zinc/69/42/99/671694299.db2.gz KWCWHUFPVSPXSX-INIZCTEOSA-N 1 2 351.407 0.013 10 30 FCEELO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@](O)(Cc2nc(CC)no2)C1 ZINC000856670457 671694300 /nfs/dbraw/zinc/69/43/00/671694300.db2.gz KWCWHUFPVSPXSX-INIZCTEOSA-N 1 2 351.407 0.013 10 30 FCEELO C#CCC[NH+]1CCN(C(=O)c2c(Br)nc3n2CCOC3)CC1 ZINC000857040190 671714645 /nfs/dbraw/zinc/71/46/45/671714645.db2.gz ORPVILAHQKDTQA-UHFFFAOYSA-N 1 2 367.247 0.957 10 30 FCEELO C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)ccc1F ZINC000857887585 671745394 /nfs/dbraw/zinc/74/53/94/671745394.db2.gz MSSWTAOJXXFOJY-LBPRGKRZSA-N 1 2 364.402 0.841 10 30 FCEELO C=CCNS(=O)(=O)c1ccc(CC(=O)NCCn2cc[nH+]c2)s1 ZINC000874010825 672755715 /nfs/dbraw/zinc/75/57/15/672755715.db2.gz MJUDCTZTSQAWQJ-UHFFFAOYSA-N 1 2 354.457 0.768 10 30 FCEELO O=C(C[N@H+]1CC[C@@H](O)[C@@H](O)C1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000879610034 673130645 /nfs/dbraw/zinc/13/06/45/673130645.db2.gz CXLXBPDJAWHDFY-CABCVRRESA-N 1 2 356.344 0.601 10 30 FCEELO O=C(C[N@@H+]1CC[C@@H](O)[C@@H](O)C1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000879610034 673130647 /nfs/dbraw/zinc/13/06/47/673130647.db2.gz CXLXBPDJAWHDFY-CABCVRRESA-N 1 2 356.344 0.601 10 30 FCEELO C#CCNC(=O)CC(=O)N1CC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)[C@H]1C ZINC001719613791 1170347537 /nfs/dbraw/zinc/34/75/37/1170347537.db2.gz JZEBXBLTCYSDJX-KFWWJZLASA-N 1 2 359.430 0.079 10 30 FCEELO C#CC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2CCOCC)CC1 ZINC001748971008 1172132389 /nfs/dbraw/zinc/13/23/89/1172132389.db2.gz AAAIULZNMASDBH-UHFFFAOYSA-N 1 2 360.462 0.306 10 30 FCEELO N#CCNCC[C@@H]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001269752374 1187865896 /nfs/dbraw/zinc/86/58/96/1187865896.db2.gz XEQBKHGXDQFTSW-KSZLIROESA-N 1 2 364.490 0.608 10 30 FCEELO C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001719896022 1189867209 /nfs/dbraw/zinc/86/72/09/1189867209.db2.gz QVUDKRBQHHNCJL-YJNKXOJESA-N 1 2 358.442 0.974 10 30 FCEELO N#Cc1ccccc1C[N@H+]1CCC[C@@](CO)(NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001271981460 1190796603 /nfs/dbraw/zinc/79/66/03/1190796603.db2.gz GDXAQPVXVFNJCY-JTDSTZFVSA-N 1 2 356.426 0.123 10 30 FCEELO N#Cc1ccccc1C[N@@H+]1CCC[C@@](CO)(NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001271981460 1190796604 /nfs/dbraw/zinc/79/66/04/1190796604.db2.gz GDXAQPVXVFNJCY-JTDSTZFVSA-N 1 2 356.426 0.123 10 30 FCEELO C#CCOCCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCc3c[nH+]cn3C1)C2 ZINC001719907707 1191016662 /nfs/dbraw/zinc/01/66/62/1191016662.db2.gz DYYGUHAAGRLSCY-IDCNUPLLSA-N 1 2 370.453 0.734 10 30 FCEELO C/C(=C\C(=O)N1CCN(c2cccc(C#N)n2)CC1)C[NH+]1CCOCC1 ZINC000907383955 1195691868 /nfs/dbraw/zinc/69/18/68/1195691868.db2.gz UJKIQDUXTWMXCN-DTQAZKPQSA-N 1 2 355.442 0.880 10 30 FCEELO C/C(=C/C(=O)N1CCN(c2cccc(C#N)n2)CC1)C[NH+]1CCOCC1 ZINC000907383956 1195692068 /nfs/dbraw/zinc/69/20/68/1195692068.db2.gz UJKIQDUXTWMXCN-SSZFMOIBSA-N 1 2 355.442 0.880 10 30 FCEELO C#CC[NH+]1CCN(c2nnc(-c3ccc(=O)n(C)c3)n2CCOC)CC1 ZINC000909216227 1195784641 /nfs/dbraw/zinc/78/46/41/1195784641.db2.gz MFRYPTMGAFQIQR-UHFFFAOYSA-N 1 2 356.430 0.045 10 30 FCEELO C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000587036075 1196463663 /nfs/dbraw/zinc/46/36/63/1196463663.db2.gz GSWCZYMYHCQTID-GXTWGEPZSA-N 1 2 373.438 0.553 10 30 FCEELO N#CCC(=O)N1CC[NH+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1 ZINC000594001163 1196683335 /nfs/dbraw/zinc/68/33/35/1196683335.db2.gz OJJSPYVFIFFIKB-UHFFFAOYSA-N 1 2 373.369 0.951 10 30 FCEELO N#Cc1cccc2c1CN(C(=O)[C@@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)C2 ZINC000593892834 1196837244 /nfs/dbraw/zinc/83/72/44/1196837244.db2.gz WPFWDPYCPDODCM-QGZVFWFLSA-N 1 2 368.437 0.581 10 30 FCEELO C#C[C@@H](NC(=O)C(=O)NC1CCN(c2cccc[nH+]2)CC1)[C@H]1CCCO1 ZINC000788651822 1200970802 /nfs/dbraw/zinc/97/08/02/1200970802.db2.gz MRGQSRMJFOVWAJ-HZPDHXFCSA-N 1 2 356.426 0.464 10 30 FCEELO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCc3cccc(O)c32)CC1 ZINC000815439357 1203038851 /nfs/dbraw/zinc/03/88/51/1203038851.db2.gz MHWHOAOVHGXKFJ-MRXNPFEDSA-N 1 2 355.438 0.706 10 30 FCEELO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCc3cccc(O)c32)CC1 ZINC000815439357 1203038854 /nfs/dbraw/zinc/03/88/54/1203038854.db2.gz MHWHOAOVHGXKFJ-MRXNPFEDSA-N 1 2 355.438 0.706 10 30 FCEELO C#CCN1C(=O)C[C@@H](N2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)C1=O ZINC000821771469 1203216430 /nfs/dbraw/zinc/21/64/30/1203216430.db2.gz AEVGFVGWXCZXNZ-QGZVFWFLSA-N 1 2 374.485 0.013 10 30 FCEELO CN(C[C@H](O)c1cccc(C#N)c1)C(=O)C(=O)N1CCn2c[nH+]cc2C1 ZINC000846282587 1204608963 /nfs/dbraw/zinc/60/89/63/1204608963.db2.gz SGUAQNVUUOSUPX-INIZCTEOSA-N 1 2 353.382 0.289 10 30 FCEELO C=CCOCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1OC[C@@H]3COCC[C@H]13)CO2 ZINC001273704607 1208035786 /nfs/dbraw/zinc/03/57/86/1208035786.db2.gz MQZPUTLIDBJLEF-LUKYLMHMSA-N 1 2 366.458 0.200 10 30 FCEELO C=CCNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cncc3nc[nH]c32)C1 ZINC001488912412 1208566381 /nfs/dbraw/zinc/56/63/81/1208566381.db2.gz OGQAQMGCTJXWIC-QWHCGFSZSA-N 1 2 356.430 0.748 10 30 FCEELO CC[C@@H]1[C@@H](NC(=O)c2cncnc2C(C)C)CC[N@@H+]1CC(=O)NCC#N ZINC001489145477 1208644005 /nfs/dbraw/zinc/64/40/05/1208644005.db2.gz SIHJHKPGEXHCNH-LSDHHAIUSA-N 1 2 358.446 0.822 10 30 FCEELO CC[C@@H]1[C@@H](NC(=O)c2cncnc2C(C)C)CC[N@H+]1CC(=O)NCC#N ZINC001489145477 1208644013 /nfs/dbraw/zinc/64/40/13/1208644013.db2.gz SIHJHKPGEXHCNH-LSDHHAIUSA-N 1 2 358.446 0.822 10 30 FCEELO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2nnc3ccccc3n2)[C@H]1C ZINC001489278779 1208756189 /nfs/dbraw/zinc/75/61/89/1208756189.db2.gz VXCLGACTEKGYFS-OLZOCXBDSA-N 1 2 354.414 0.520 10 30 FCEELO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2nnc3ccccc3n2)[C@H]1C ZINC001489278779 1208756191 /nfs/dbraw/zinc/75/61/91/1208756191.db2.gz VXCLGACTEKGYFS-OLZOCXBDSA-N 1 2 354.414 0.520 10 30 FCEELO 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COCCNC(=O)C[NH+]1CCN(c2cc(C#N)c3ccccc3n2)CC1 ZINC000609890842 492226792 /nfs/dbraw/zinc/22/67/92/492226792.db2.gz SGZVXCQJNIEKRO-UHFFFAOYSA-N 1 2 353.426 0.991 10 30 FCEELO C[N@H+](CCN1CCCS1(=O)=O)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000610615276 492254617 /nfs/dbraw/zinc/25/46/17/492254617.db2.gz YXPVJCJSQIFPTP-INIZCTEOSA-N 1 2 362.455 0.631 10 30 FCEELO C[N@@H+](CCN1CCCS1(=O)=O)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000610615276 492254618 /nfs/dbraw/zinc/25/46/18/492254618.db2.gz YXPVJCJSQIFPTP-INIZCTEOSA-N 1 2 362.455 0.631 10 30 FCEELO CC(C)(CO)[NH+]1CCN(CCS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000611089626 492277870 /nfs/dbraw/zinc/27/78/70/492277870.db2.gz BHEMLBSCJVFFLD-UHFFFAOYSA-N 1 2 351.472 0.720 10 30 FCEELO C=C(C)[C@@H](CO)[NH+]1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 ZINC000649363393 492548022 /nfs/dbraw/zinc/54/80/22/492548022.db2.gz KGNQORYXCTVGCY-CQSZACIVSA-N 1 2 350.444 0.806 10 30 FCEELO C=CCNC(=O)C[NH+]1CCN(c2nnc(-c3cn[nH]c3)n2CC=C)CC1 ZINC000624844895 492690447 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FCEELO C=CCCOCCNC(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1[nH+]ccn1C ZINC000626273857 492956079 /nfs/dbraw/zinc/95/60/79/492956079.db2.gz KHNLFPOWIUBCIU-GJZGRUSLSA-N 1 2 350.419 0.417 10 30 FCEELO C=CCNC(=O)C[NH+]1CCN(c2nnc([C@H]3CCO[C@@H]3C)n2CC=C)CC1 ZINC000647372416 493197326 /nfs/dbraw/zinc/19/73/26/493197326.db2.gz MBCYZXFMJJQOCS-CVEARBPZSA-N 1 2 374.489 0.781 10 30 FCEELO C=CCNC(=O)C[NH+]1CCN(c2nnc([C@H]3CCO[C@@H]3C)n2CC)CC1 ZINC000647387077 493200758 /nfs/dbraw/zinc/20/07/58/493200758.db2.gz OSYZOZMDCAXFSH-CABCVRRESA-N 1 2 362.478 0.615 10 30 FCEELO C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000667043591 493254412 /nfs/dbraw/zinc/25/44/12/493254412.db2.gz IOUWCWFGVCKBCA-WBVHZDCISA-N 1 2 355.504 0.781 10 30 FCEELO C=CCOCCCNC(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000668891995 493429474 /nfs/dbraw/zinc/42/94/74/493429474.db2.gz XHRKPBGFJUINNP-HOTGVXAUSA-N 1 2 353.463 0.455 10 30 FCEELO C=CCOCCCNC(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000668891997 493429492 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/nfs/dbraw/zinc/29/55/26/1262295526.db2.gz VSWBREHPXNXBCL-SQNIBIBYSA-N 1 2 359.470 0.356 10 30 FCEELO C#CCCCCCC(=O)N1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC#C)[C@@H](O)C1 ZINC001289662850 1262295537 /nfs/dbraw/zinc/29/55/37/1262295537.db2.gz VSWBREHPXNXBCL-SQNIBIBYSA-N 1 2 359.470 0.356 10 30 FCEELO C=C[C@@](C)(O)CC(=O)N1C[C@H]2CCN(C(=O)CCc3c[nH+]cn3C)C[C@H]21 ZINC001289788525 1262342350 /nfs/dbraw/zinc/34/23/50/1262342350.db2.gz YYKZUUTWSTXDBP-IDHHARJASA-N 1 2 360.458 0.739 10 30 FCEELO C#CCOCCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCc3c[nH+]cn3C1)C2 ZINC001291912355 1262609200 /nfs/dbraw/zinc/60/92/00/1262609200.db2.gz DYYGUHAAGRLSCY-MVJTYMMSSA-N 1 2 370.453 0.734 10 30 FCEELO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)c1cnn(CCC#N)c1C)C2 ZINC001297645887 1262887308 /nfs/dbraw/zinc/88/73/08/1262887308.db2.gz LMVNZDJGCAUHNJ-AWEZNQCLSA-N 1 2 356.430 0.890 10 30 FCEELO C#CC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2CC(F)(F)F)CC1 ZINC001300680731 1262994367 /nfs/dbraw/zinc/99/43/67/1262994367.db2.gz CYTVDKHGNXHUGQ-UHFFFAOYSA-N 1 2 370.379 0.832 10 30 FCEELO C#CC[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2CCC(C)(C)O)CC1 ZINC001300681316 1262994788 /nfs/dbraw/zinc/99/47/88/1262994788.db2.gz MRSHQCVXIQMVSY-UHFFFAOYSA-N 1 2 362.478 0.333 10 30 FCEELO C#CC[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCSC2)CC1 ZINC001300698663 1262994913 /nfs/dbraw/zinc/99/49/13/1262994913.db2.gz XMKKVVXRKWGDHR-LSDHHAIUSA-N 1 2 374.514 0.738 10 30 FCEELO C#CCNC(=O)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H](C)OC)C1 ZINC001479616827 1263272209 /nfs/dbraw/zinc/27/22/09/1263272209.db2.gz IGVKUIFEODSGJQ-CGTJXYLNSA-N 1 2 357.454 0.745 10 30 FCEELO C#CCNC(=O)C[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H](C)OC)C1 ZINC001479616827 1263272221 /nfs/dbraw/zinc/27/22/21/1263272221.db2.gz IGVKUIFEODSGJQ-CGTJXYLNSA-N 1 2 357.454 0.745 10 30 FCEELO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)C2(F)CCOCC2)[C@H]1C ZINC001479710542 1263367694 /nfs/dbraw/zinc/36/76/94/1263367694.db2.gz XVJVGHYMSYIKJC-OLZOCXBDSA-N 1 2 370.425 0.096 10 30 FCEELO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)C2(F)CCOCC2)[C@H]1C ZINC001479710542 1263367703 /nfs/dbraw/zinc/36/77/03/1263367703.db2.gz XVJVGHYMSYIKJC-OLZOCXBDSA-N 1 2 370.425 0.096 10 30 FCEELO C[C@@H]1[C@@H](NC(=O)CCOc2cccc(F)c2)CC[N@@H+]1CC(=O)NCC#N ZINC001479710603 1263369484 /nfs/dbraw/zinc/36/94/84/1263369484.db2.gz ZWJRGBFSLUMQDH-CJNGLKHVSA-N 1 2 362.405 0.813 10 30 FCEELO C[C@@H]1[C@@H](NC(=O)CCOc2cccc(F)c2)CC[N@H+]1CC(=O)NCC#N ZINC001479710603 1263369493 /nfs/dbraw/zinc/36/94/93/1263369493.db2.gz ZWJRGBFSLUMQDH-CJNGLKHVSA-N 1 2 362.405 0.813 10 30 FCEELO C[C@@H]1[C@@H](NC(=O)c2cccc(C(=O)N(C)C)c2)CC[N@@H+]1CC(=O)NCC#N ZINC001479724760 1263400153 /nfs/dbraw/zinc/40/01/53/1263400153.db2.gz NYOJGFQEHRVCIS-CJNGLKHVSA-N 1 2 371.441 0.221 10 30 FCEELO C[C@@H]1[C@@H](NC(=O)c2cccc(C(=O)N(C)C)c2)CC[N@H+]1CC(=O)NCC#N ZINC001479724760 1263400156 /nfs/dbraw/zinc/40/01/56/1263400156.db2.gz NYOJGFQEHRVCIS-CJNGLKHVSA-N 1 2 371.441 0.221 10 30 FCEELO C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1CC[N@H+](Cc2cn(C)nn2)[C@@H]1CC ZINC001316738177 1263446351 /nfs/dbraw/zinc/44/63/51/1263446351.db2.gz KIKZDVXKONACIO-GVDBMIGSSA-N 1 2 362.478 0.755 10 30 FCEELO C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1CC[N@@H+](Cc2cn(C)nn2)[C@@H]1CC ZINC001316738177 1263446352 /nfs/dbraw/zinc/44/63/52/1263446352.db2.gz KIKZDVXKONACIO-GVDBMIGSSA-N 1 2 362.478 0.755 10 30 FCEELO CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC[C@]1(O)CC[N@H+](CC(=O)NCC#N)C1 ZINC001484216734 1263459851 /nfs/dbraw/zinc/45/98/51/1263459851.db2.gz OCECHZXCGIGFAV-PMUMKWKESA-N 1 2 350.463 0.251 10 30 FCEELO CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC[C@]1(O)CC[N@@H+](CC(=O)NCC#N)C1 ZINC001484216734 1263459855 /nfs/dbraw/zinc/45/98/55/1263459855.db2.gz OCECHZXCGIGFAV-PMUMKWKESA-N 1 2 350.463 0.251 10 30 FCEELO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)c2c(C)ccn2C)[C@H]1C ZINC001316781494 1263473459 /nfs/dbraw/zinc/47/34/59/1263473459.db2.gz QECMLLXNRNJPGT-KGLIPLIRSA-N 1 2 361.446 0.538 10 30 FCEELO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2c(C)ccn2C)[C@H]1C ZINC001316781494 1263473462 /nfs/dbraw/zinc/47/34/62/1263473462.db2.gz QECMLLXNRNJPGT-KGLIPLIRSA-N 1 2 361.446 0.538 10 30 FCEELO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cn(CCCC)nc2C)[C@H]1C ZINC001316794421 1263483649 /nfs/dbraw/zinc/48/36/49/1263483649.db2.gz NRIWUDRXBQGFAJ-WBVHZDCISA-N 1 2 359.474 0.934 10 30 FCEELO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cn(CCCC)nc2C)[C@H]1C ZINC001316794421 1263483651 /nfs/dbraw/zinc/48/36/51/1263483651.db2.gz NRIWUDRXBQGFAJ-WBVHZDCISA-N 1 2 359.474 0.934 10 30 FCEELO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(C)cc2)[C@H]1C ZINC001316798790 1263488009 /nfs/dbraw/zinc/48/80/09/1263488009.db2.gz STTQTUYCKCKYJJ-ZBFHGGJFSA-N 1 2 356.426 0.262 10 30 FCEELO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(C)cc2)[C@H]1C ZINC001316798790 1263488016 /nfs/dbraw/zinc/48/80/16/1263488016.db2.gz STTQTUYCKCKYJJ-ZBFHGGJFSA-N 1 2 356.426 0.262 10 30 FCEELO C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+]([C@H](C)C(=O)NC(=O)NC(C)C)C1 ZINC001318155857 1263547808 /nfs/dbraw/zinc/54/78/08/1263547808.db2.gz VRPAKCCVHWBSKH-YUELXQCFSA-N 1 2 366.462 0.248 10 30 FCEELO C=C[C@@H]1OCC[C@H]1C(=O)NCCC[NH+]1CCN(C(=O)[C@H](F)CC)CC1 ZINC001493137999 1263704895 /nfs/dbraw/zinc/70/48/95/1263704895.db2.gz IEZPNBIIZBMODR-OAGGEKHMSA-N 1 2 355.454 0.976 10 30 FCEELO C=CCO[C@@H]1CC[N@@H+](CC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)C1 ZINC001320039877 1263757161 /nfs/dbraw/zinc/75/71/61/1263757161.db2.gz QOFJPFHMNMLENW-CYBMUJFWSA-N 1 2 364.446 0.245 10 30 FCEELO C=CCO[C@@H]1CC[N@H+](CC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)C1 ZINC001320039877 1263757164 /nfs/dbraw/zinc/75/71/64/1263757164.db2.gz QOFJPFHMNMLENW-CYBMUJFWSA-N 1 2 364.446 0.245 10 30 FCEELO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2CC)C1 ZINC001494910983 1263791336 /nfs/dbraw/zinc/79/13/36/1263791336.db2.gz RMSOVHGTFMKNJM-QLFBSQMISA-N 1 2 350.463 0.967 10 30 FCEELO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2CC)C1 ZINC001494910983 1263791340 /nfs/dbraw/zinc/79/13/40/1263791340.db2.gz RMSOVHGTFMKNJM-QLFBSQMISA-N 1 2 350.463 0.967 10 30 FCEELO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1([NH2+]Cc2nnc3n2CCOC3)CC1 ZINC001499390357 1264030006 /nfs/dbraw/zinc/03/00/06/1264030006.db2.gz WYRIVRNBHGCERQ-BBRMVZONSA-N 1 2 361.446 0.528 10 30 FCEELO C#CCN(C(=O)C[C@@H]1C[C@H]1C1CC1)C1CC[NH+](Cc2nc(=O)n(C)[nH]2)CC1 ZINC001500043709 1264053089 /nfs/dbraw/zinc/05/30/89/1264053089.db2.gz RNGZOXDHMBISMK-RDJZCZTQSA-N 1 2 371.485 0.971 10 30 FCEELO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]1(CO)CCC[N@H+](CC(=O)NCC2CC2)C1 ZINC001501350144 1264115784 /nfs/dbraw/zinc/11/57/84/1264115784.db2.gz SZKXJGTXCWDPCF-GJYPPUQNSA-N 1 2 365.474 0.047 10 30 FCEELO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]1(CO)CCC[N@@H+](CC(=O)NCC2CC2)C1 ZINC001501350144 1264115792 /nfs/dbraw/zinc/11/57/92/1264115792.db2.gz SZKXJGTXCWDPCF-GJYPPUQNSA-N 1 2 365.474 0.047 10 30 FCEELO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH2+]Cc1nc(C(C)(C)C)no1 ZINC001507504616 1264368075 /nfs/dbraw/zinc/36/80/75/1264368075.db2.gz BZOAFGCGDBXVAG-MJBXVCDLSA-N 1 2 366.462 0.867 10 30 FCEELO C#CC[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2CC(F)(F)F)CC1 ZINC001507716905 1264383996 /nfs/dbraw/zinc/38/39/96/1264383996.db2.gz VYSBRUCWOXEKGK-UHFFFAOYSA-N 1 2 358.368 0.734 10 30 FCEELO C#CC[NH+]1CCN(c2nnc(CC(C)(C)C)n2Cc2nncn2C)CC1 ZINC001507730569 1264386110 /nfs/dbraw/zinc/38/61/10/1264386110.db2.gz TZXVVYWIVICUFQ-UHFFFAOYSA-N 1 2 356.478 0.799 10 30 FCEELO C#CC[NH+]1CCN(c2nnc(C(C)C)n2CC2(C(N)=O)CCOCC2)CC1 ZINC001507722120 1264386189 /nfs/dbraw/zinc/38/61/89/1264386189.db2.gz PNGAPXYOJKSRJR-UHFFFAOYSA-N 1 2 374.489 0.439 10 30 FCEELO C#CCOCCC(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H]2C1 ZINC001512856725 1264698058 /nfs/dbraw/zinc/69/80/58/1264698058.db2.gz YSOVNESFRMVAAP-BVIKNXMNSA-N 1 2 370.453 0.623 10 30 FCEELO C=CC(C)(C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001512988483 1264800335 /nfs/dbraw/zinc/80/03/35/1264800335.db2.gz KQYKRAWIHGGTGM-RBSFLKMASA-N 1 2 360.458 0.736 10 30 FCEELO C=C[C@@H](CC)CC(=O)N1C[C@@H](NC(=O)Cc2c[nH+]ccc2OC)[C@@H](O)C1 ZINC001513557256 1265205452 /nfs/dbraw/zinc/20/54/52/1265205452.db2.gz DWAPGKGMRVNQTC-IMJJTQAJSA-N 1 2 361.442 0.923 10 30 FCEELO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001327506841 1265346577 /nfs/dbraw/zinc/34/65/77/1265346577.db2.gz IGBKNCYOMGMRHN-QRVBRYPASA-N 1 2 369.465 0.976 10 30 FCEELO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001327506841 1265346589 /nfs/dbraw/zinc/34/65/89/1265346589.db2.gz IGBKNCYOMGMRHN-QRVBRYPASA-N 1 2 369.465 0.976 10 30 FCEELO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C(F)(F)F)[C@H](NC(=O)[C@H](C)C#N)C1 ZINC001522390319 1266537204 /nfs/dbraw/zinc/53/72/04/1266537204.db2.gz LJXFWGNAESTBKE-HLUHBDAQSA-N 1 2 357.336 0.926 10 30 FCEELO C=CCCn1cc(C(=O)NCCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)nn1 ZINC001522669990 1266570808 /nfs/dbraw/zinc/57/08/08/1266570808.db2.gz GBBLZHXHNGLQQN-CHWSQXEVSA-N 1 2 357.418 0.237 10 30 FCEELO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CCN(c2nncn2C)CC1 ZINC001523797513 1266663124 /nfs/dbraw/zinc/66/31/24/1266663124.db2.gz ZAJGFAWHCFHKQS-UHFFFAOYSA-N 1 2 371.493 0.905 10 30 FCEELO C#CC[NH+]1CCN(c2nnc(-c3cc(CO)on3)n2C[C@@H]2CCCO2)CC1 ZINC001525207980 1266746673 /nfs/dbraw/zinc/74/66/73/1266746673.db2.gz GCIIOAJSLWCQHH-AWEZNQCLSA-N 1 2 372.429 0.360 10 30 FCEELO C[C@H](CC#N)N(C)c1nnc([C@]2(C)C[C@H](O)C[N@@H+]2C)n1C[C@@H]1CCOC1 ZINC001526327428 1266801732 /nfs/dbraw/zinc/80/17/32/1266801732.db2.gz QQTYZNDIWMNOJP-LLDVTBCESA-N 1 2 362.478 0.965 10 30 FCEELO C[C@H](CC#N)N(C)c1nnc([C@]2(C)C[C@H](O)C[N@H+]2C)n1C[C@@H]1CCOC1 ZINC001526327428 1266801739 /nfs/dbraw/zinc/80/17/39/1266801739.db2.gz QQTYZNDIWMNOJP-LLDVTBCESA-N 1 2 362.478 0.965 10 30 FCEELO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CCCN1C(=O)CSCC#N ZINC001529430774 1267060335 /nfs/dbraw/zinc/06/03/35/1267060335.db2.gz VAKHCTNFFBFREI-MGPQQGTHSA-N 1 2 361.471 0.888 10 30 FCEELO C=CCn1cc(C(=O)N[C@@H](C)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)nn1 ZINC001534136683 1267251032 /nfs/dbraw/zinc/25/10/32/1267251032.db2.gz ZYTYBRPEYVSNEY-YNEHKIRRSA-N 1 2 357.418 0.236 10 30 FCEELO C#CC[NH+]1CCN(c2nnc([C@@H]3CCOC3)n2CCCn2ccnn2)CC1 ZINC001539447470 1267428501 /nfs/dbraw/zinc/42/85/01/1267428501.db2.gz SFJISXKZXZGRHN-MRXNPFEDSA-N 1 2 370.461 0.219 10 30 FCEELO C#CC[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@](C)(O)CCC)CC1 ZINC001539446401 1267428507 /nfs/dbraw/zinc/42/85/07/1267428507.db2.gz YAJRDQAAAUSABZ-BEFAXECRSA-N 1 2 374.489 0.536 10 30 FCEELO C#CC[NH+]1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCC(=O)N2)CC1 ZINC001539452004 1267429616 /nfs/dbraw/zinc/42/96/16/1267429616.db2.gz IHLZTDLSGXJMQB-OAHLLOKOSA-N 1 2 358.490 0.901 10 30 FCEELO C#CC[NH+]1CCN(c2nnc(COCC)n2CC[C@@H]2COCCO2)CC1 ZINC001539461981 1267429773 /nfs/dbraw/zinc/42/97/73/1267429773.db2.gz AEBAFXCQUMDTBJ-MRXNPFEDSA-N 1 2 363.462 0.375 10 30 FCEELO C#CC[NH+]1CCN(c2nnc(COCC)n2C[C@](C)(O)CCOC)CC1 ZINC001539461746 1267429920 /nfs/dbraw/zinc/42/99/20/1267429920.db2.gz 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0.706 10 30 FCEELO COC(=O)CCN1CCC[C@@H]([NH+]2CCN(c3cnccc3C#N)CC2)C1=O ZINC000595502636 491938116 /nfs/dbraw/zinc/93/81/16/491938116.db2.gz UUDCMNRATMXDLI-MRXNPFEDSA-N 1 2 371.441 0.629 10 30 FCEELO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CCC(CO)(CO)C1 ZINC000595808239 491954835 /nfs/dbraw/zinc/95/48/35/491954835.db2.gz VIEQAWYJGDPIAJ-UHFFFAOYSA-N 1 2 355.398 0.359 10 30 FCEELO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CCC(CO)(CO)C1 ZINC000595808239 491954837 /nfs/dbraw/zinc/95/48/37/491954837.db2.gz VIEQAWYJGDPIAJ-UHFFFAOYSA-N 1 2 355.398 0.359 10 30 FCEELO C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000613420489 491981197 /nfs/dbraw/zinc/98/11/97/491981197.db2.gz ZIHIPKVHEQRKRN-LSDHHAIUSA-N 1 2 361.446 0.498 10 30 FCEELO Cc1cc(C#N)nc(NC[C@]2(CO)COCC[N@@H+]2Cc2ccccc2)n1 ZINC000596514236 491988318 /nfs/dbraw/zinc/98/83/18/491988318.db2.gz DDBBGIGJEKCIBR-IBGZPJMESA-N 1 2 353.426 1.332 10 30 FCEELO Cc1cc(C#N)nc(NC[C@]2(CO)COCC[N@H+]2Cc2ccccc2)n1 ZINC000596514236 491988319 /nfs/dbraw/zinc/98/83/19/491988319.db2.gz DDBBGIGJEKCIBR-IBGZPJMESA-N 1 2 353.426 1.332 10 30 FCEELO CN1CC[N@H+](Cc2ccccc2)[C@@H](CNC(=O)N2CCO[C@H](C#N)C2)C1 ZINC000596945414 492006295 /nfs/dbraw/zinc/00/62/95/492006295.db2.gz JCRFDJHESIYXAP-ZWKOTPCHSA-N 1 2 357.458 0.737 10 30 FCEELO CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNC(=O)N2CCO[C@H](C#N)C2)C1 ZINC000596945414 492006297 /nfs/dbraw/zinc/00/62/97/492006297.db2.gz JCRFDJHESIYXAP-ZWKOTPCHSA-N 1 2 357.458 0.737 10 30 FCEELO CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)N2CCO[C@@H](C#N)C2)C1 ZINC000596945404 492006411 /nfs/dbraw/zinc/00/64/11/492006411.db2.gz JCRFDJHESIYXAP-MSOLQXFVSA-N 1 2 357.458 0.737 10 30 FCEELO CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)N2CCO[C@@H](C#N)C2)C1 ZINC000596945404 492006413 /nfs/dbraw/zinc/00/64/13/492006413.db2.gz JCRFDJHESIYXAP-MSOLQXFVSA-N 1 2 357.458 0.737 10 30 FCEELO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1ccc2c(n1)OCCO2 ZINC000597037222 492011060 /nfs/dbraw/zinc/01/10/60/492011060.db2.gz CINNAXTWAMMFHO-UHFFFAOYSA-N 1 2 361.402 0.933 10 30 FCEELO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NCC1(C#N)CCCCC1 ZINC000597400556 492036224 /nfs/dbraw/zinc/03/62/24/492036224.db2.gz ZDFZDMRUFGTJSJ-OAHLLOKOSA-N 1 2 350.463 0.756 10 30 FCEELO C[C@H](CC#N)C(=O)NCCN(CC[NH+]1CCOCC1)C(=O)[C@H](C)CC#N ZINC000597508756 492043255 /nfs/dbraw/zinc/04/32/55/492043255.db2.gz CEVSLPUSGDLVDE-HZPDHXFCSA-N 1 2 363.462 0.363 10 30 FCEELO C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCN(c2ccc(F)cc2C(N)=O)CC1 ZINC000598647862 492112227 /nfs/dbraw/zinc/11/22/27/492112227.db2.gz NDSIKCXRXBQIIK-CYBMUJFWSA-N 1 2 373.432 0.998 10 30 FCEELO C[N@@H+]1CCOC[C@@H]1CNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000599193558 492140622 /nfs/dbraw/zinc/14/06/22/492140622.db2.gz LQQQVTPHVFCUFB-IRXDYDNUSA-N 1 2 371.441 0.683 10 30 FCEELO C[N@H+]1CCOC[C@@H]1CNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000599193558 492140624 /nfs/dbraw/zinc/14/06/24/492140624.db2.gz LQQQVTPHVFCUFB-IRXDYDNUSA-N 1 2 371.441 0.683 10 30 FCEELO CC(C)Nc1nc(N2CCc3c(CC#N)cccc3C2)nc(NCCO)[nH+]1 ZINC000599195832 492141406 /nfs/dbraw/zinc/14/14/06/492141406.db2.gz XXWHDGZQDUFSEV-UHFFFAOYSA-N 1 2 367.457 0.569 10 30 FCEELO CC(C)Nc1nc(NCCO)[nH+]c(N2CCc3c(CC#N)cccc3C2)n1 ZINC000599195832 492141409 /nfs/dbraw/zinc/14/14/09/492141409.db2.gz XXWHDGZQDUFSEV-UHFFFAOYSA-N 1 2 367.457 0.569 10 30 FCEELO CC(C)Nc1nc(NCCO)nc(N2CCc3c(CC#N)cccc3C2)[nH+]1 ZINC000599195832 492141410 /nfs/dbraw/zinc/14/14/10/492141410.db2.gz XXWHDGZQDUFSEV-UHFFFAOYSA-N 1 2 367.457 0.569 10 30 FCEELO COc1ccc(C[N@@H+]2CC[C@H]2CNS(=O)(=O)N(C)CCC#N)cc1 ZINC000599409558 492169923 /nfs/dbraw/zinc/16/99/23/492169923.db2.gz QUAHNNYUEBJJFC-HNNXBMFYSA-N 1 2 352.460 0.949 10 30 FCEELO COc1ccc(C[N@H+]2CC[C@H]2CNS(=O)(=O)N(C)CCC#N)cc1 ZINC000599409558 492169924 /nfs/dbraw/zinc/16/99/24/492169924.db2.gz QUAHNNYUEBJJFC-HNNXBMFYSA-N 1 2 352.460 0.949 10 30 FCEELO CNS(=O)(=O)C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000599691266 492199807 /nfs/dbraw/zinc/19/98/07/492199807.db2.gz CRZUYEPIQMCOSC-AWEZNQCLSA-N 1 2 350.444 0.758 10 30 FCEELO CNS(=O)(=O)C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000599691266 492199810 /nfs/dbraw/zinc/19/98/10/492199810.db2.gz CRZUYEPIQMCOSC-AWEZNQCLSA-N 1 2 350.444 0.758 10 30 FCEELO CNS(=O)(=O)C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000599691267 492200309 /nfs/dbraw/zinc/20/03/09/492200309.db2.gz CRZUYEPIQMCOSC-CQSZACIVSA-N 1 2 350.444 0.758 10 30 FCEELO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000599691267 492200311 /nfs/dbraw/zinc/20/03/11/492200311.db2.gz CRZUYEPIQMCOSC-CQSZACIVSA-N 1 2 350.444 0.758 10 30 FCEELO CCN1C(=O)CO[C@H](C(=O)N2CCC[C@H](CC#N)C2)[C@H]1c1[nH+]ccn1C ZINC000600094698 492243917 /nfs/dbraw/zinc/24/39/17/492243917.db2.gz YNIIYUIQXHGNNP-KBMXLJTQSA-N 1 2 359.430 0.861 10 30 FCEELO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000619942273 492283548 /nfs/dbraw/zinc/28/35/48/492283548.db2.gz RAHRSEXFCKQNSM-WSTZPKSXSA-N 1 2 360.454 0.957 10 30 FCEELO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000619942273 492283550 /nfs/dbraw/zinc/28/35/50/492283550.db2.gz RAHRSEXFCKQNSM-WSTZPKSXSA-N 1 2 360.454 0.957 10 30 FCEELO N#Cc1cc(C[N@H+]2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)ccn1 ZINC000611533143 492289787 /nfs/dbraw/zinc/28/97/87/492289787.db2.gz XNDXGHIBTGFJAM-INIZCTEOSA-N 1 2 350.444 0.580 10 30 FCEELO N#Cc1cc(C[N@@H+]2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)ccn1 ZINC000611533143 492289788 /nfs/dbraw/zinc/28/97/88/492289788.db2.gz XNDXGHIBTGFJAM-INIZCTEOSA-N 1 2 350.444 0.580 10 30 FCEELO C=CC(C)(C)CCNC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000627686820 492362455 /nfs/dbraw/zinc/36/24/55/492362455.db2.gz FGLFSOBGXGZTSR-UHFFFAOYSA-N 1 2 363.462 0.872 10 30 FCEELO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCO[C@@H](CC(N)=O)C2)c(OC)c1 ZINC000626083591 492928610 /nfs/dbraw/zinc/92/86/10/492928610.db2.gz XYQGGTUKLJEPIK-CVEARBPZSA-N 1 2 364.442 0.740 10 30 FCEELO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCO[C@@H](CC(N)=O)C2)c(OC)c1 ZINC000626083591 492928613 /nfs/dbraw/zinc/92/86/13/492928613.db2.gz XYQGGTUKLJEPIK-CVEARBPZSA-N 1 2 364.442 0.740 10 30 FCEELO C=CCOCCCNC(=O)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000658533104 492932996 /nfs/dbraw/zinc/93/29/96/492932996.db2.gz LWRKBHUKASEVKP-MRXNPFEDSA-N 1 2 353.463 0.409 10 30 FCEELO CC#CC[NH2+]Cc1cn(Cc2ccc(S(=O)(=O)N(C)C)s2)nn1 ZINC000641144165 493171414 /nfs/dbraw/zinc/17/14/14/493171414.db2.gz IQAOKDJEDIFJLU-UHFFFAOYSA-N 1 2 353.473 0.751 10 30 FCEELO C=CCN1C(=O)c2ccc(C(=O)N3CC[NH+](CCOC)CC3)cc2C1=O ZINC000684815467 493431759 /nfs/dbraw/zinc/43/17/59/493431759.db2.gz DHJQDSMRKIYWDR-UHFFFAOYSA-N 1 2 357.410 0.873 10 30 FCEELO C=CCn1c(-c2cn(C)nn2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC000669039997 493456639 /nfs/dbraw/zinc/45/66/39/493456639.db2.gz UTDXBWWQYIHFQP-UHFFFAOYSA-N 1 2 369.433 0.878 10 30 FCEELO CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](CO)C[NH+]2CCCC2)c1 ZINC000935983956 674336848 /nfs/dbraw/zinc/33/68/48/674336848.db2.gz GOHZOGSJFOGKHS-MRXNPFEDSA-N 1 2 364.467 0.670 10 30 FCEELO C=CCNC(=O)NC(=O)C[N@@H+]1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000106151456 526590312 /nfs/dbraw/zinc/59/03/12/526590312.db2.gz CRKGKXZDPVHXDU-UHFFFAOYSA-N 1 2 362.434 0.467 10 30 FCEELO C=CCNC(=O)NC(=O)C[N@H+]1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000106151456 526590323 /nfs/dbraw/zinc/59/03/23/526590323.db2.gz CRKGKXZDPVHXDU-UHFFFAOYSA-N 1 2 362.434 0.467 10 30 FCEELO C#CCN(CC#C)C(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000190427630 526838737 /nfs/dbraw/zinc/83/87/37/526838737.db2.gz UUFBZMMXNFQSTG-UHFFFAOYSA-N 1 2 352.438 0.468 10 30 FCEELO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000411748409 527626741 /nfs/dbraw/zinc/62/67/41/527626741.db2.gz RYLWGGDKYCSPQN-OAHLLOKOSA-N 1 2 358.508 0.390 10 30 FCEELO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000411748409 527626746 /nfs/dbraw/zinc/62/67/46/527626746.db2.gz RYLWGGDKYCSPQN-OAHLLOKOSA-N 1 2 358.508 0.390 10 30 FCEELO COC(=O)c1cc(C#N)ccc1S(=O)(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000593582390 546980036 /nfs/dbraw/zinc/98/00/36/546980036.db2.gz SQOYZWBBAMGEOT-LBPRGKRZSA-N 1 2 367.427 0.032 10 30 FCEELO COC(=O)c1cc(C#N)ccc1S(=O)(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000593582390 546980038 /nfs/dbraw/zinc/98/00/38/546980038.db2.gz SQOYZWBBAMGEOT-LBPRGKRZSA-N 1 2 367.427 0.032 10 30 FCEELO O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000898485009 665880129 /nfs/dbraw/zinc/88/01/29/665880129.db2.gz YAYBRMJWYYRKFX-GFCCVEGCSA-N 1 2 368.434 0.275 10 30 FCEELO O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000898485009 665880130 /nfs/dbraw/zinc/88/01/30/665880130.db2.gz YAYBRMJWYYRKFX-GFCCVEGCSA-N 1 2 368.434 0.275 10 30 FCEELO C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC[N@@H+](CCF)C2)cc1 ZINC000898485695 665880177 /nfs/dbraw/zinc/88/01/77/665880177.db2.gz MGQDGWUVDDQYEQ-OAHLLOKOSA-N 1 2 367.446 0.762 10 30 FCEELO C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC[N@H+](CCF)C2)cc1 ZINC000898485695 665880179 /nfs/dbraw/zinc/88/01/79/665880179.db2.gz MGQDGWUVDDQYEQ-OAHLLOKOSA-N 1 2 367.446 0.762 10 30 FCEELO C=C(C)CN(CC)C(=O)COC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000923779659 663973150 /nfs/dbraw/zinc/97/31/50/663973150.db2.gz COAOXDPGWHZIJL-CVEARBPZSA-N 1 2 354.447 0.834 10 30 FCEELO COC(=O)[C@H]1[C@@H](C[NH+]2CCN(c3c(C#N)c(C)nn3C)CC2)C1(F)F ZINC000894537074 664970553 /nfs/dbraw/zinc/97/05/53/664970553.db2.gz HLECAWPUFVJLSE-CHWSQXEVSA-N 1 2 353.373 0.777 10 30 FCEELO C#CCNS(=O)(=O)N1CC[NH+](Cc2cc(C)nc3c2CCCC3)CC1 ZINC000895925377 665065117 /nfs/dbraw/zinc/06/51/17/665065117.db2.gz XTBYCZIDCXOACV-UHFFFAOYSA-N 1 2 362.499 0.854 10 30 FCEELO C=CCc1cc(C[N@@H+]2CCN3[C@@H](CNS3(=O)=O)C2)cc(OC)c1O ZINC000897283913 665163812 /nfs/dbraw/zinc/16/38/12/665163812.db2.gz NQPOCKOIJWNNMY-AWEZNQCLSA-N 1 2 353.444 0.464 10 30 FCEELO C=CCc1cc(C[N@H+]2CCN3[C@@H](CNS3(=O)=O)C2)cc(OC)c1O ZINC000897283913 665163814 /nfs/dbraw/zinc/16/38/14/665163814.db2.gz NQPOCKOIJWNNMY-AWEZNQCLSA-N 1 2 353.444 0.464 10 30 FCEELO CN(C)S(=O)(=O)N1CC([NH2+]Cc2cc(C#N)ccc2Br)C1 ZINC000922295957 667634582 /nfs/dbraw/zinc/63/45/82/667634582.db2.gz QRZHEDIEBPVHKT-UHFFFAOYSA-N 1 2 373.276 0.901 10 30 FCEELO C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2Cc3c[nH+]cn3C2)s1 ZINC000823348134 669337692 /nfs/dbraw/zinc/33/76/92/669337692.db2.gz QZNHGUQWPYKXIB-NSHDSACASA-N 1 2 366.468 0.693 10 30 FCEELO C#C[C@H]1CCC[N@@H+](CC(=O)Nc2cc(S(N)(=O)=O)ccc2OC)C1 ZINC000847021466 671166924 /nfs/dbraw/zinc/16/69/24/671166924.db2.gz MBVCJGKPEVYZLP-LBPRGKRZSA-N 1 2 351.428 0.626 10 30 FCEELO C#C[C@H]1CCC[N@H+](CC(=O)Nc2cc(S(N)(=O)=O)ccc2OC)C1 ZINC000847021466 671166927 /nfs/dbraw/zinc/16/69/27/671166927.db2.gz MBVCJGKPEVYZLP-LBPRGKRZSA-N 1 2 351.428 0.626 10 30 FCEELO C#C[C@@H](NC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)C1CCOCC1 ZINC000852001145 671480739 /nfs/dbraw/zinc/48/07/39/671480739.db2.gz DKDACEXMSGFHAN-SJLPKXTDSA-N 1 2 367.515 0.922 10 30 FCEELO C=CCS(=O)(=O)CCNC(=O)N1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000858356409 671759535 /nfs/dbraw/zinc/75/95/35/671759535.db2.gz VKQOOKYJGYXJTO-UHFFFAOYSA-N 1 2 373.519 0.874 10 30 FCEELO C=C(Cl)C[C@H](NS(=O)(=O)CCC[NH+]1CCOCC1)C(=O)OCC ZINC000867592052 672344275 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C#CCN(C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001506353118 1264312486 /nfs/dbraw/zinc/31/24/86/1264312486.db2.gz RDEJADQPCMZRND-ZACQAIPSSA-N 1 2 370.453 0.973 10 30 FCEELO C#CCN(C(=O)c1cnon1)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001506350764 1264313971 /nfs/dbraw/zinc/31/39/71/1264313971.db2.gz NIYVXCBHVIHMGF-ZIAGYGMSSA-N 1 2 368.397 0.663 10 30 FCEELO C#CCN(C(=O)c1cnon1)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001506350764 1264313985 /nfs/dbraw/zinc/31/39/85/1264313985.db2.gz NIYVXCBHVIHMGF-ZIAGYGMSSA-N 1 2 368.397 0.663 10 30 FCEELO C#CC[NH+]1CCN(c2nnc(C)n2CC2(C(=O)N(C)C)CCCC2)CC1 ZINC001507718814 1264384188 /nfs/dbraw/zinc/38/41/88/1264384188.db2.gz IADFJJSIJZQYPY-UHFFFAOYSA-N 1 2 358.490 0.990 10 30 FCEELO C#CC[NH+]1CCN(c2nnc(CC(C)C)n2C[C@@]2(O)CCO[C@H]2C)CC1 ZINC001507729694 1264385233 /nfs/dbraw/zinc/38/52/33/1264385233.db2.gz KDKBFQCOKBNKIH-LPHOPBHVSA-N 1 2 361.490 0.772 10 30 FCEELO C#CC[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](OC)C(C)C)CC1 ZINC001507723479 1264385622 /nfs/dbraw/zinc/38/56/22/1264385622.db2.gz JROILXSFBPSOML-JKSUJKDBSA-N 1 2 374.489 0.655 10 30 FCEELO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1(O)CN(CC#Cc2ccccc2)C1 ZINC001325274101 1264831680 /nfs/dbraw/zinc/83/16/80/1264831680.db2.gz PKGMEZGFVSOYFU-QZTJIDSGSA-N 1 2 364.449 0.738 10 30 FCEELO C=CCOCC(=O)N[C@@H]1CN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C[C@@H]1O ZINC001513478587 1265145577 /nfs/dbraw/zinc/14/55/77/1265145577.db2.gz KNQOQBFGPVMPNX-OAGGEKHMSA-N 1 2 364.446 0.361 10 30 FCEELO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@@]4(C3)NC(=O)NC4=O)o2)c1 ZINC001326720633 1265157692 /nfs/dbraw/zinc/15/76/92/1265157692.db2.gz MCRBZIZYDHJTIV-KRWDZBQOSA-N 1 2 352.354 0.782 10 30 FCEELO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@@]4(C3)NC(=O)NC4=O)o2)c1 ZINC001326720633 1265157697 /nfs/dbraw/zinc/15/76/97/1265157697.db2.gz MCRBZIZYDHJTIV-KRWDZBQOSA-N 1 2 352.354 0.782 10 30 FCEELO C=CC(C)(C)CC(=O)N1C[C@@H](NC(=O)Cc2c[nH+]ccc2OC)[C@@H](O)C1 ZINC001513558434 1265206866 /nfs/dbraw/zinc/20/68/66/1265206866.db2.gz SGRUQGQJJYKFSC-CABCVRRESA-N 1 2 361.442 0.923 10 30 FCEELO Cc1nc(N2CCN(C(=O)C(=O)NCC#Cc3ccccc3)CC2)cc[nH+]1 ZINC001327378530 1265295998 /nfs/dbraw/zinc/29/59/98/1265295998.db2.gz HZGKRHKKWYJTCL-UHFFFAOYSA-N 1 2 363.421 0.602 10 30 FCEELO C=CCn1c(=O)c2ccc(C(=O)N3CC[NH2+]C[C@@H]3COC)cc2[nH]c1=S ZINC001523585015 1266642917 /nfs/dbraw/zinc/64/29/17/1266642917.db2.gz CQYIMWFFNABXRV-CYBMUJFWSA-N 1 2 374.466 0.932 10 30 FCEELO COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)C(=O)N2CCO[C@@H](C#N)C2)cc1 ZINC001335007138 1267274961 /nfs/dbraw/zinc/27/49/61/1267274961.db2.gz SPZRVVWSXMURLB-WBVHZDCISA-N 1 2 372.425 0.137 10 30 FCEELO COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)C(=O)N2CCO[C@@H](C#N)C2)cc1 ZINC001335007138 1267274973 /nfs/dbraw/zinc/27/49/73/1267274973.db2.gz SPZRVVWSXMURLB-WBVHZDCISA-N 1 2 372.425 0.137 10 30 FCEELO C#CC[NH+]1CCN(c2nnc(C)n2Cc2ncn(-c3ccccc3)n2)CC1 ZINC001539430758 1267427742 /nfs/dbraw/zinc/42/77/42/1267427742.db2.gz NHASJFRTFOBNDX-UHFFFAOYSA-N 1 2 362.441 0.971 10 30 FCEELO C#CC[NH+]1CCN(c2nnc([C@H]3CCCOC3)n2CC2(C)COC2)CC1 ZINC001539447952 1267429942 /nfs/dbraw/zinc/42/99/42/1267429942.db2.gz ZPRBYAUSUKKCCM-INIZCTEOSA-N 1 2 359.474 0.964 10 30 FCEELO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N1CCC[C@@H](N2CCCC2=O)C1 ZINC001338770383 1268084223 /nfs/dbraw/zinc/08/42/23/1268084223.db2.gz FAMYOOSCLSMBGZ-PMPSAXMXSA-N 1 2 374.489 0.793 10 30 FCEELO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CCC[C@@H](N2CCCC2=O)C1 ZINC001338770383 1268084232 /nfs/dbraw/zinc/08/42/32/1268084232.db2.gz FAMYOOSCLSMBGZ-PMPSAXMXSA-N 1 2 374.489 0.793 10 30 FCEELO C=CCn1c([C@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CCN(C(=O)OC)CC1 ZINC001338775062 1268088210 /nfs/dbraw/zinc/08/82/10/1268088210.db2.gz SVYWSNONASQENF-QWHCGFSZSA-N 1 2 350.423 0.090 10 30 FCEELO C=CCn1c([C@H]2C[C@H](O)C[N@H+]2C)nnc1N1CCN(C(=O)OC)CC1 ZINC001338775062 1268088222 /nfs/dbraw/zinc/08/82/22/1268088222.db2.gz SVYWSNONASQENF-QWHCGFSZSA-N 1 2 350.423 0.090 10 30 FCEELO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CCN(c2cccnn2)CC1 ZINC001338775091 1268089356 /nfs/dbraw/zinc/08/93/56/1268089356.db2.gz UJGGTDLJKBWWHT-CABCVRRESA-N 1 2 370.461 0.318 10 30 FCEELO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CCN(c2cccnn2)CC1 ZINC001338775091 1268089365 /nfs/dbraw/zinc/08/93/65/1268089365.db2.gz UJGGTDLJKBWWHT-CABCVRRESA-N 1 2 370.461 0.318 10 30 FCEELO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CCO[C@]2(CCSC2)C1 ZINC001338894295 1268115366 /nfs/dbraw/zinc/11/53/66/1268115366.db2.gz HJMVTWWSTOGWAN-JKIFEVAISA-N 1 2 365.503 0.914 10 30 FCEELO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CCO[C@]2(CCSC2)C1 ZINC001338894295 1268115370 /nfs/dbraw/zinc/11/53/70/1268115370.db2.gz HJMVTWWSTOGWAN-JKIFEVAISA-N 1 2 365.503 0.914 10 30 FCEELO C=CCn1c(N2CCC3=C(CCC(=O)N3)C2)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001339197202 1268183821 /nfs/dbraw/zinc/18/38/21/1268183821.db2.gz PDOICTSMFWKNCH-KUHUBIRLSA-N 1 2 372.473 0.750 10 30 FCEELO C=CCn1c(N2CCC3=C(CCC(=O)N3)C2)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001339197202 1268183825 /nfs/dbraw/zinc/18/38/25/1268183825.db2.gz PDOICTSMFWKNCH-KUHUBIRLSA-N 1 2 372.473 0.750 10 30 FCEELO C=CCn1c([C@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CCN(c2ncccn2)CC1 ZINC001340250812 1268486262 /nfs/dbraw/zinc/48/62/62/1268486262.db2.gz LMKFMJLLOOPPNJ-HUUCEWRRSA-N 1 2 370.461 0.318 10 30 FCEELO C=CCn1c([C@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CCN(c2ncccn2)CC1 ZINC001340250812 1268486268 /nfs/dbraw/zinc/48/62/68/1268486268.db2.gz LMKFMJLLOOPPNJ-HUUCEWRRSA-N 1 2 370.461 0.318 10 30 FCEELO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N(C[C@H]1CCC(=O)N1)C(C)C ZINC001340259133 1268489933 /nfs/dbraw/zinc/48/99/33/1268489933.db2.gz TYBCGFFQEXDWTH-ILXRZTDVSA-N 1 2 362.478 0.695 10 30 FCEELO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N(C[C@H]1CCC(=O)N1)C(C)C ZINC001340259133 1268489938 /nfs/dbraw/zinc/48/99/38/1268489938.db2.gz TYBCGFFQEXDWTH-ILXRZTDVSA-N 1 2 362.478 0.695 10 30 FCEELO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC001340374919 1268527263 /nfs/dbraw/zinc/52/72/63/1268527263.db2.gz JEIQLAJYPKIJAP-XGUBFFRZSA-N 1 2 360.462 0.449 10 30 FCEELO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC001340374919 1268527271 /nfs/dbraw/zinc/52/72/71/1268527271.db2.gz JEIQLAJYPKIJAP-XGUBFFRZSA-N 1 2 360.462 0.449 10 30 FCEELO C=CCn1c(N2CC[C@H](N3CCCC3=O)C2)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001340571912 1268589924 /nfs/dbraw/zinc/58/99/24/1268589924.db2.gz PABWJTARCOFQAM-QMTMVMCOSA-N 1 2 374.489 0.577 10 30 FCEELO C=CCn1c(N2CC[C@H](N3CCCC3=O)C2)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001340571912 1268589932 /nfs/dbraw/zinc/58/99/32/1268589932.db2.gz PABWJTARCOFQAM-QMTMVMCOSA-N 1 2 374.489 0.577 10 30 FCEELO C=CCn1c(N(C)CCNC(=O)C(C)C)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001340573082 1268590156 /nfs/dbraw/zinc/59/01/56/1268590156.db2.gz VNFVEYADYXFFAH-KDOFPFPSSA-N 1 2 364.494 0.584 10 30 FCEELO C=CCn1c(N(C)CCNC(=O)C(C)C)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001340573082 1268590161 /nfs/dbraw/zinc/59/01/61/1268590161.db2.gz VNFVEYADYXFFAH-KDOFPFPSSA-N 1 2 364.494 0.584 10 30 FCEELO C=C[C@@](C)(O)CC(=O)N1CC[C@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@H]21 ZINC001340996051 1268738158 /nfs/dbraw/zinc/73/81/58/1268738158.db2.gz MIZFYQYHXRGRQA-ZSZQSSIHSA-N 1 2 360.458 0.739 10 30 FCEELO Cn1nccc1C1(O)CC[NH+](CC(=O)NCc2cccc(C#N)c2)CC1 ZINC001560115448 1269188293 /nfs/dbraw/zinc/18/82/93/1269188293.db2.gz ZYPDPTHYEOQRHT-UHFFFAOYSA-N 1 2 353.426 0.892 10 30 FCEELO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CCO[C@@H](C(=O)OCC)C1 ZINC001341867681 1269249488 /nfs/dbraw/zinc/24/94/88/1269249488.db2.gz ADEXNOLRIBWTPH-CQSZACIVSA-N 1 2 374.445 0.947 10 30 FCEELO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC001342062010 1269326262 /nfs/dbraw/zinc/32/62/62/1269326262.db2.gz PBIFGOVLSYNLMJ-RFGFWPKPSA-N 1 2 362.434 0.136 10 30 FCEELO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC001342062010 1269326273 /nfs/dbraw/zinc/32/62/73/1269326273.db2.gz PBIFGOVLSYNLMJ-RFGFWPKPSA-N 1 2 362.434 0.136 10 30 FCEELO C=CCn1c(N(CCOC)CCOC)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001342384466 1269452554 /nfs/dbraw/zinc/45/25/54/1269452554.db2.gz JZEYGRAFRMAXDN-RHSMWYFYSA-N 1 2 353.467 0.475 10 30 FCEELO C=CCn1c(N(CCOC)CCOC)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001342384466 1269452557 /nfs/dbraw/zinc/45/25/57/1269452557.db2.gz JZEYGRAFRMAXDN-RHSMWYFYSA-N 1 2 353.467 0.475 10 30 FCEELO C#CCNC(=O)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)COC(C)C)C1 ZINC001565880966 1269499605 /nfs/dbraw/zinc/49/96/05/1269499605.db2.gz JHWHLJGBPUMPGI-ZWKOTPCHSA-N 1 2 357.454 0.745 10 30 FCEELO C#CCNC(=O)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)COC(C)C)C1 ZINC001565880966 1269499609 /nfs/dbraw/zinc/49/96/09/1269499609.db2.gz JHWHLJGBPUMPGI-ZWKOTPCHSA-N 1 2 357.454 0.745 10 30 FCEELO C=CCNC(=O)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cncn2C)C1 ZINC001565883749 1269502389 /nfs/dbraw/zinc/50/23/89/1269502389.db2.gz YMYMLGJWCCJKOE-DLBZAZTESA-N 1 2 367.453 0.920 10 30 FCEELO C=CCNC(=O)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cncn2C)C1 ZINC001565883749 1269502391 /nfs/dbraw/zinc/50/23/91/1269502391.db2.gz YMYMLGJWCCJKOE-DLBZAZTESA-N 1 2 367.453 0.920 10 30 FCEELO C=CCNC(=O)[C@H](C)[NH+]1CCN(CCN(C)C(=O)[C@@H]2C[C@H]2C2CC2)CC1 ZINC001567719733 1269704065 /nfs/dbraw/zinc/70/40/65/1269704065.db2.gz YSJUSNPWBSNEPJ-RYQLBKOJSA-N 1 2 362.518 0.799 10 30 FCEELO C=CCNC(=O)[C@H](C)N1CC[NH+](CCN(C)C(=O)[C@@H]2C[C@H]2C2CC2)CC1 ZINC001567719733 1269704069 /nfs/dbraw/zinc/70/40/69/1269704069.db2.gz YSJUSNPWBSNEPJ-RYQLBKOJSA-N 1 2 362.518 0.799 10 30 FCEELO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1CCO[C@@H](CC(N)=O)C1 ZINC001342977450 1269710532 /nfs/dbraw/zinc/71/05/32/1269710532.db2.gz FSHFVDVCTSLPFM-HNNXBMFYSA-N 1 2 362.478 0.921 10 30 FCEELO C#CCN(CC#C)c1nnc(C[NH+]2CCC(C(N)=O)CC2)n1CC(C)C ZINC001343042885 1269743393 /nfs/dbraw/zinc/74/33/93/1269743393.db2.gz STGWRTYSONKYMA-UHFFFAOYSA-N 1 2 356.474 0.704 10 30 FCEELO C#C[C@@H]1CCCCN1c1nnc(C[NH+]2CCC(C(N)=O)CC2)n1CCOC ZINC001343135004 1269789764 /nfs/dbraw/zinc/78/97/64/1269789764.db2.gz QIYKABWPKMAHPF-MRXNPFEDSA-N 1 2 374.489 0.614 10 30 FCEELO C#CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](Cc2cnc(C)cn2)CC1 ZINC001569587145 1269790539 /nfs/dbraw/zinc/79/05/39/1269790539.db2.gz HXXVGJVIWKZBHF-IAGOWNOFSA-N 1 2 357.414 0.876 10 30 FCEELO N#Cc1ccc(CN2CC(O)(CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)c(F)c1 ZINC001569777478 1269806802 /nfs/dbraw/zinc/80/68/02/1269806802.db2.gz YQMOMIUVTXNHBZ-HUUCEWRRSA-N 1 2 369.400 0.887 10 30 FCEELO N#Cc1ccc(CN2CC(O)(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)c(F)c1 ZINC001569777478 1269806812 /nfs/dbraw/zinc/80/68/12/1269806812.db2.gz YQMOMIUVTXNHBZ-HUUCEWRRSA-N 1 2 369.400 0.887 10 30 FCEELO C=CCOCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)CO2 ZINC001570246330 1269856168 /nfs/dbraw/zinc/85/61/68/1269856168.db2.gz 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C#CCC1(C(=O)N[C@@H](CO)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CCC1 ZINC001572357225 1270052656 /nfs/dbraw/zinc/05/26/56/1270052656.db2.gz ZPHKFJACTFUWGQ-RBSFLKMASA-N 1 2 358.442 0.311 10 30 FCEELO C=CCCn1cc(C(=O)N[C@@H]2CC[C@H](CNC(=O)Cc3[nH]cc[nH+]3)C2)nn1 ZINC001344311207 1270143597 /nfs/dbraw/zinc/14/35/97/1270143597.db2.gz NJXBDLXXHPYLFM-UONOGXRCSA-N 1 2 371.445 0.835 10 30 FCEELO C=C(C)[C@@H](CC(=O)N[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1O)OCC ZINC001572824825 1270198679 /nfs/dbraw/zinc/19/86/79/1270198679.db2.gz USLPSSVIFMHNLT-BZUAXINKSA-N 1 2 364.446 0.332 10 30 FCEELO C=CC(C)(C)C(=O)N[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@H]1O ZINC001572843824 1270244223 /nfs/dbraw/zinc/24/42/23/1270244223.db2.gz OHIUBCCIBGFGKG-HZPDHXFCSA-N 1 2 369.425 0.781 10 30 FCEELO C[C@@H](C#N)C(=O)N[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@H]1O ZINC001572850700 1270259398 /nfs/dbraw/zinc/25/93/98/1270259398.db2.gz SFZANOXMZDTUBZ-APHBMKBZSA-N 1 2 353.382 0.333 10 30 FCEELO 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C=C[C@@H]1OCC[C@H]1C(=O)NC[C@]1(C)CCC[N@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001484169437 1263457639 /nfs/dbraw/zinc/45/76/39/1263457639.db2.gz WSZVECWBSUQGKZ-GLJUWKHASA-N 1 2 363.462 0.418 10 30 FCEELO CC(C)Oc1ccc(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)[C@@H]2C)cn1 ZINC001316784291 1263475421 /nfs/dbraw/zinc/47/54/21/1263475421.db2.gz GPSXNOGCQOMAFB-HIFRSBDPSA-N 1 2 359.430 0.701 10 30 FCEELO CC(C)Oc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)[C@@H]2C)cn1 ZINC001316784291 1263475424 /nfs/dbraw/zinc/47/54/24/1263475424.db2.gz GPSXNOGCQOMAFB-HIFRSBDPSA-N 1 2 359.430 0.701 10 30 FCEELO C[C@@H]1[C@@H](NC(=O)[C@@H]2OCCc3ccccc32)CC[N@@H+]1CC(=O)NCC#N ZINC001316788727 1263479054 /nfs/dbraw/zinc/47/90/54/1263479054.db2.gz VPCNJHXWHMOGGE-RPVQJOFSSA-N 1 2 356.426 0.519 10 30 FCEELO C[C@@H]1[C@@H](NC(=O)[C@@H]2OCCc3ccccc32)CC[N@H+]1CC(=O)NCC#N ZINC001316788727 1263479056 /nfs/dbraw/zinc/47/90/56/1263479056.db2.gz VPCNJHXWHMOGGE-RPVQJOFSSA-N 1 2 356.426 0.519 10 30 FCEELO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1)CO2 ZINC001484799434 1263486782 /nfs/dbraw/zinc/48/67/82/1263486782.db2.gz KUHXLAKLSGXRQX-KFWWJZLASA-N 1 2 351.447 0.335 10 30 FCEELO C[C@@H]1[C@@H](NC(=O)Cn2ccc3ccccc32)CC[N@@H+]1CC(=O)NCC#N ZINC001316798873 1263488885 /nfs/dbraw/zinc/48/88/85/1263488885.db2.gz FGAAZSCEVKNSHB-ZBFHGGJFSA-N 1 2 353.426 0.860 10 30 FCEELO C[C@@H]1[C@@H](NC(=O)Cn2ccc3ccccc32)CC[N@H+]1CC(=O)NCC#N ZINC001316798873 1263488888 /nfs/dbraw/zinc/48/88/88/1263488888.db2.gz FGAAZSCEVKNSHB-ZBFHGGJFSA-N 1 2 353.426 0.860 10 30 FCEELO C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)[N@H+](C)Cc1cc(F)ccc1C#N ZINC001485349839 1263501455 /nfs/dbraw/zinc/50/14/55/1263501455.db2.gz IZESKNKSXNXOLY-KNXALSJPSA-N 1 2 362.405 0.667 10 30 FCEELO C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)[N@@H+](C)Cc1cc(F)ccc1C#N ZINC001485349839 1263501470 /nfs/dbraw/zinc/50/14/70/1263501470.db2.gz IZESKNKSXNXOLY-KNXALSJPSA-N 1 2 362.405 0.667 10 30 FCEELO CCCN(C(=O)[C@@H]1CCO[C@H]1C1CC1)[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001317761038 1263521014 /nfs/dbraw/zinc/52/10/14/1263521014.db2.gz CPRGYWXKIVZCCP-NUJGCVRESA-N 1 2 362.474 0.754 10 30 FCEELO CCCN(C(=O)[C@@H]1CCO[C@H]1C1CC1)[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001317761038 1263521019 /nfs/dbraw/zinc/52/10/19/1263521019.db2.gz CPRGYWXKIVZCCP-NUJGCVRESA-N 1 2 362.474 0.754 10 30 FCEELO C=CCCC(=O)NCCN1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001493152268 1263706074 /nfs/dbraw/zinc/70/60/74/1263706074.db2.gz FZXFMXSSALNKNM-HZPDHXFCSA-N 1 2 359.474 0.750 10 30 FCEELO C=CCNC(=O)C[N@H+]1CCC[C@@](CO)(NC(=O)[C@H]2OCC[C@H]2CC)C1 ZINC001501332310 1264115089 /nfs/dbraw/zinc/11/50/89/1264115089.db2.gz ZVNHPVVPXFHFCY-UWWQBHOKSA-N 1 2 353.463 0.047 10 30 FCEELO C=CCNC(=O)C[N@@H+]1CCC[C@@](CO)(NC(=O)[C@H]2OCC[C@H]2CC)C1 ZINC001501332310 1264115092 /nfs/dbraw/zinc/11/50/92/1264115092.db2.gz ZVNHPVVPXFHFCY-UWWQBHOKSA-N 1 2 353.463 0.047 10 30 FCEELO C=CCOCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)O2 ZINC001502437428 1264171931 /nfs/dbraw/zinc/17/19/31/1264171931.db2.gz YRWBRXLLBUTXPZ-ZXXIGWHRSA-N 1 2 362.470 0.962 10 30 FCEELO C=C(Cl)C[NH+]1CCC(CO)(NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1 ZINC001505384717 1264270664 /nfs/dbraw/zinc/27/06/64/1264270664.db2.gz UJMUSWUHQLPVHK-SOUVJXGZSA-N 1 2 358.866 0.734 10 30 FCEELO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](CCCS(C)(=O)=O)C1 ZINC001506660854 1264334592 /nfs/dbraw/zinc/33/45/92/1264334592.db2.gz OJHWTYLAEQITPR-KBMXLJTQSA-N 1 2 358.504 0.839 10 30 FCEELO C#CC[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](CC)OC)CC1 ZINC001507715519 1264383597 /nfs/dbraw/zinc/38/35/97/1264383597.db2.gz CICBNAGLPUXWAE-HNNXBMFYSA-N 1 2 362.478 0.597 10 30 FCEELO C#CC[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](CC)OC)CC1 ZINC001507715521 1264383826 /nfs/dbraw/zinc/38/38/26/1264383826.db2.gz CICBNAGLPUXWAE-OAHLLOKOSA-N 1 2 362.478 0.597 10 30 FCEELO C#CC[NH+]1CCN(c2nnc([C@@H](C)CC)n2CCNS(C)(=O)=O)CC1 ZINC001507722118 1264386135 /nfs/dbraw/zinc/38/61/35/1264386135.db2.gz PLROCERHRWIMID-AWEZNQCLSA-N 1 2 368.507 0.096 10 30 FCEELO C#CC[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2Cc2nncn2CC)CC1 ZINC001507725595 1264386783 /nfs/dbraw/zinc/38/67/83/1264386783.db2.gz XMAZYFKZQVOBAR-UHFFFAOYSA-N 1 2 365.445 0.688 10 30 FCEELO C=C[C@@H]1OCC[C@H]1C(=O)NCC1([NH2+]Cc2nnnn2-c2ccccc2)CC1 ZINC001323540420 1264451249 /nfs/dbraw/zinc/45/12/49/1264451249.db2.gz BUYQWTQFAVEVMB-CVEARBPZSA-N 1 2 368.441 0.992 10 30 FCEELO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2OCC[C@H]2CC)C1 ZINC001324618692 1264680151 /nfs/dbraw/zinc/68/01/51/1264680151.db2.gz CNFFDAXIRKULIK-QIIPPGSGSA-N 1 2 366.462 0.394 10 30 FCEELO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2OCC[C@H]2CC)C1 ZINC001324618692 1264680155 /nfs/dbraw/zinc/68/01/55/1264680155.db2.gz CNFFDAXIRKULIK-QIIPPGSGSA-N 1 2 366.462 0.394 10 30 FCEELO C=C[C@@H](C(=O)N[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1O)c1ccccc1 ZINC001512965221 1264775696 /nfs/dbraw/zinc/77/56/96/1264775696.db2.gz OSCHKFBWKQYXJZ-BRWVUGGUSA-N 1 2 354.410 0.541 10 30 FCEELO C=C[C@H](CC(=O)N[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1O)c1ccccc1 ZINC001512966414 1264776695 /nfs/dbraw/zinc/77/66/95/1264776695.db2.gz IMDZCMIJQFREDM-ZTFGCOKTSA-N 1 2 368.437 1.000 10 30 FCEELO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@]1(O)CC[N@@H+](Cc2cn(CC)nn2)C1 ZINC001325139881 1264785092 /nfs/dbraw/zinc/78/50/92/1264785092.db2.gz CIPMUXPZLGBVKP-XYJFISCASA-N 1 2 363.462 0.332 10 30 FCEELO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@]1(O)CC[N@H+](Cc2cn(CC)nn2)C1 ZINC001325139881 1264785097 /nfs/dbraw/zinc/78/50/97/1264785097.db2.gz CIPMUXPZLGBVKP-XYJFISCASA-N 1 2 363.462 0.332 10 30 FCEELO C=CCCOCC(=O)N[C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@H]1O ZINC001512986182 1264797328 /nfs/dbraw/zinc/79/73/28/1264797328.db2.gz XNCAWLFXBMFGOI-RRFJBIMHSA-N 1 2 350.419 0.115 10 30 FCEELO CC#CCCCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001512988189 1264799455 /nfs/dbraw/zinc/79/94/55/1264799455.db2.gz JWMIIXDYSADQOV-ARFHVFGLSA-N 1 2 358.442 0.327 10 30 FCEELO C#CCCCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1OC ZINC001513365558 1265065797 /nfs/dbraw/zinc/06/57/97/1265065797.db2.gz RJJBOASAWUMWLL-USXIJHARSA-N 1 2 358.442 0.591 10 30 FCEELO C=CCN1C(=O)c2ccc(C(=O)N3CC[NH2+]C[C@@H]3C(=O)OCC)cc2C1=O ZINC001326309240 1265095729 /nfs/dbraw/zinc/09/57/29/1265095729.db2.gz JGJCHVNCRIGKMM-OAHLLOKOSA-N 1 2 371.393 0.446 10 30 FCEELO C=CCC1(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@@H]2O)CCC1 ZINC001513679734 1265256631 /nfs/dbraw/zinc/25/66/31/1265256631.db2.gz NGKGKCJJQULKJI-ANQUJSFKSA-N 1 2 372.469 0.958 10 30 FCEELO O=C(NCC#C[C@H]1CCCCO1)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001332981575 1266515988 /nfs/dbraw/zinc/51/59/88/1266515988.db2.gz SITJCMFUJHYFIW-QGZVFWFLSA-N 1 2 361.446 0.909 10 30 FCEELO C#CCO[C@H](C)C(=O)N1C[C@@H]2CCC[C@]2(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001522407198 1266546279 /nfs/dbraw/zinc/54/62/79/1266546279.db2.gz CNPBQPMTDGNKDW-GJYPPUQNSA-N 1 2 358.442 0.666 10 30 FCEELO C#CC[NH+]1CCN(c2nnc(-c3ncnn3C)n2C[C@@H]2CCCO2)CC1 ZINC001525082561 1266737958 /nfs/dbraw/zinc/73/79/58/1266737958.db2.gz RQWNVGSINRZFFB-AWEZNQCLSA-N 1 2 356.434 0.008 10 30 FCEELO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](O)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001533289268 1267210725 /nfs/dbraw/zinc/21/07/25/1267210725.db2.gz JNWQDLNVMYMLOU-ZNMIVQPWSA-N 1 2 364.446 0.111 10 30 FCEELO C=CCCn1cc(C(=O)N[C@@H](C)CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)nn1 ZINC001534160222 1267251572 /nfs/dbraw/zinc/25/15/72/1267251572.db2.gz RDKNGQCFFOGDJU-YNEHKIRRSA-N 1 2 357.418 0.616 10 30 FCEELO C=CCCn1cc(C(=O)N[C@@H](C)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)nn1 ZINC001534160222 1267251580 /nfs/dbraw/zinc/25/15/80/1267251580.db2.gz RDKNGQCFFOGDJU-YNEHKIRRSA-N 1 2 357.418 0.616 10 30 FCEELO N#Cc1cc(C(=O)NC[C@]2(O)CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)c[nH]1 ZINC001537339179 1267367957 /nfs/dbraw/zinc/36/79/57/1267367957.db2.gz TWCAGXIHKHUUBL-HBUWYVDXSA-N 1 2 368.397 0.106 10 30 FCEELO N#Cc1cc(C(=O)NC[C@]2(O)CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)c[nH]1 ZINC001537339179 1267367968 /nfs/dbraw/zinc/36/79/68/1267367968.db2.gz TWCAGXIHKHUUBL-HBUWYVDXSA-N 1 2 368.397 0.106 10 30 FCEELO C#CCN(C(=O)NCc1nc(C[NH+](C)C)cs1)[C@@H]1CCS(=O)(=O)C1 ZINC001335211363 1267405737 /nfs/dbraw/zinc/40/57/37/1267405737.db2.gz NCNGACKHEZSZPH-CYBMUJFWSA-N 1 2 370.500 0.537 10 30 FCEELO C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001539324276 1267425311 /nfs/dbraw/zinc/42/53/11/1267425311.db2.gz SJIVRDHAHNSACW-QZTJIDSGSA-N 1 2 371.485 0.966 10 30 FCEELO C#CC[NH+]1CCN(c2nnc([C@@H]3CCCCO3)n2CC(=O)NCCC)CC1 ZINC001539447158 1267428395 /nfs/dbraw/zinc/42/83/95/1267428395.db2.gz OZAWVJNPHWSYDM-INIZCTEOSA-N 1 2 374.489 0.801 10 30 FCEELO C#CC[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](COC)OC)CC1 ZINC001539444888 1267428741 /nfs/dbraw/zinc/42/87/41/1267428741.db2.gz XCUBZQAWPFQCGF-MRXNPFEDSA-N 1 2 373.461 0.095 10 30 FCEELO C#CC[NH+]1CCN(c2nnc([C@H]3CCCO3)n2C[C@H]2COCCO2)CC1 ZINC001539463355 1267429974 /nfs/dbraw/zinc/42/99/74/1267429974.db2.gz YVZGBSYOIIIPPE-JKSUJKDBSA-N 1 2 361.446 0.300 10 30 FCEELO C#CC[N@H+]1CCCN(C(=O)CSc2nnnn2CC(F)(F)F)CC1 ZINC001544079444 1267569068 /nfs/dbraw/zinc/56/90/68/1267569068.db2.gz RJSARLPYDFZZOY-UHFFFAOYSA-N 1 2 362.381 0.495 10 30 FCEELO C#CC[N@@H+]1CCCN(C(=O)CSc2nnnn2CC(F)(F)F)CC1 ZINC001544079444 1267569072 /nfs/dbraw/zinc/56/90/72/1267569072.db2.gz RJSARLPYDFZZOY-UHFFFAOYSA-N 1 2 362.381 0.495 10 30 FCEELO C=CCn1c([C@H]2C[C@H](O)C[N@H+]2C)nnc1N1CCN(c2cccnn2)CC1 ZINC001338775094 1268088251 /nfs/dbraw/zinc/08/82/51/1268088251.db2.gz UJGGTDLJKBWWHT-LSDHHAIUSA-N 1 2 370.461 0.318 10 30 FCEELO C=CCn1c([C@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CCN(c2cccnn2)CC1 ZINC001338775094 1268088263 /nfs/dbraw/zinc/08/82/63/1268088263.db2.gz UJGGTDLJKBWWHT-LSDHHAIUSA-N 1 2 370.461 0.318 10 30 FCEELO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N1CC[C@H](C(=O)NC)C1 ZINC001339605888 1268280485 /nfs/dbraw/zinc/28/04/85/1268280485.db2.gz AYSPWHZKHVIKDY-HNNXBMFYSA-N 1 2 362.478 0.241 10 30 FCEELO C=CCn1c(N2CC[C@H](NC(=O)OC)C2)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001339853655 1268348131 /nfs/dbraw/zinc/34/81/31/1268348131.db2.gz IXLCFDUXHTWBMB-GDZNZVCISA-N 1 2 364.450 0.310 10 30 FCEELO C=CCn1c(N2CC[C@H](NC(=O)OC)C2)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001339853655 1268348139 /nfs/dbraw/zinc/34/81/39/1268348139.db2.gz IXLCFDUXHTWBMB-GDZNZVCISA-N 1 2 364.450 0.310 10 30 FCEELO C#CC[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N[C@H]3C(F)(F)F)n2C)CC1 ZINC001339943799 1268379677 /nfs/dbraw/zinc/37/96/77/1268379677.db2.gz GKWOEPGMOLJIJL-DGCLKSJQSA-N 1 2 370.379 0.495 10 30 FCEELO C=CCn1c(N(C)CC[NH+]2CCOCC2)nnc1[C@]1(C)CCC(=O)NC1 ZINC001340242121 1268482283 /nfs/dbraw/zinc/48/22/83/1268482283.db2.gz PKGYICCBBIMFDI-GOSISDBHSA-N 1 2 362.478 0.400 10 30 FCEELO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CC[C@@H](C(=O)OC)[C@@H](C)C1 ZINC001340374778 1268526947 /nfs/dbraw/zinc/52/69/47/1268526947.db2.gz ICUXUIUTNOKSAM-XQLPTFJDSA-N 1 2 363.462 0.837 10 30 FCEELO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N1CC[C@@H](C(=O)OC)[C@@H](C)C1 ZINC001340374778 1268526956 /nfs/dbraw/zinc/52/69/56/1268526956.db2.gz ICUXUIUTNOKSAM-XQLPTFJDSA-N 1 2 363.462 0.837 10 30 FCEELO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC001340375369 1268527110 /nfs/dbraw/zinc/52/71/10/1268527110.db2.gz MMOZGTWNHRQDNS-QPSCCSFWSA-N 1 2 360.462 0.307 10 30 FCEELO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC001340375369 1268527117 /nfs/dbraw/zinc/52/71/17/1268527117.db2.gz MMOZGTWNHRQDNS-QPSCCSFWSA-N 1 2 360.462 0.307 10 30 FCEELO C=CCn1c(N2CCn3nc(C)nc3C2)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001340701783 1268628794 /nfs/dbraw/zinc/62/87/94/1268628794.db2.gz OKQYWVPKLSBPNS-GUYCJALGSA-N 1 2 358.450 0.296 10 30 FCEELO C=CCn1c(N2CCn3nc(C)nc3C2)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001340701783 1268628801 /nfs/dbraw/zinc/62/88/01/1268628801.db2.gz OKQYWVPKLSBPNS-GUYCJALGSA-N 1 2 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ZINC000598506794 492102116 /nfs/dbraw/zinc/10/21/16/492102116.db2.gz QYOMBXIQCSAHIC-MRXNPFEDSA-N 1 2 353.430 0.082 10 30 FCEELO CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)Cn2cnc(C#N)n2)C1 ZINC000598506794 492102118 /nfs/dbraw/zinc/10/21/18/492102118.db2.gz QYOMBXIQCSAHIC-MRXNPFEDSA-N 1 2 353.430 0.082 10 30 FCEELO N#CC1(NC(=O)C[NH+]2CCN(c3ccc(F)cc3C(N)=O)CC2)CCC1 ZINC000598648432 492112095 /nfs/dbraw/zinc/11/20/95/492112095.db2.gz QYCQRELGGZEDET-UHFFFAOYSA-N 1 2 359.405 0.609 10 30 FCEELO Cc1nsc(N2CCN(C(=O)NC[C@H]3COCC[N@H+]3C)CC2)c1C#N ZINC000599195397 492141349 /nfs/dbraw/zinc/14/13/49/492141349.db2.gz VZLABZDHUZZTGD-ZDUSSCGKSA-N 1 2 364.475 0.485 10 30 FCEELO Cc1nsc(N2CCN(C(=O)NC[C@H]3COCC[N@@H+]3C)CC2)c1C#N ZINC000599195397 492141352 /nfs/dbraw/zinc/14/13/52/492141352.db2.gz VZLABZDHUZZTGD-ZDUSSCGKSA-N 1 2 364.475 0.485 10 30 FCEELO CCS(=O)(=O)N1CC[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)[C@H](C)C1 ZINC000599417553 492170700 /nfs/dbraw/zinc/17/07/00/492170700.db2.gz ZFWDATHQCBMPAG-CABCVRRESA-N 1 2 359.492 0.414 10 30 FCEELO CCS(=O)(=O)N1CC[N@@H+](C[C@@H](O)CC2(C#N)CCOCC2)[C@H](C)C1 ZINC000599417553 492170702 /nfs/dbraw/zinc/17/07/02/492170702.db2.gz ZFWDATHQCBMPAG-CABCVRRESA-N 1 2 359.492 0.414 10 30 FCEELO N#CC1(C[C@@H](O)C[NH+]2CCN(S(=O)(=O)C3CC3)CC2)CCOCC1 ZINC000599537894 492185040 /nfs/dbraw/zinc/18/50/40/492185040.db2.gz BLHZQHCVVUCUCV-CQSZACIVSA-N 1 2 357.476 0.168 10 30 FCEELO COC[C@@]1(C)C[N@H+](CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CCO1 ZINC000599692877 492199722 /nfs/dbraw/zinc/19/97/22/492199722.db2.gz FLYGZFXWLIKCRF-SJLPKXTDSA-N 1 2 352.479 0.416 10 30 FCEELO COC[C@@]1(C)C[N@@H+](CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CCO1 ZINC000599692877 492199724 /nfs/dbraw/zinc/19/97/24/492199724.db2.gz FLYGZFXWLIKCRF-SJLPKXTDSA-N 1 2 352.479 0.416 10 30 FCEELO C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@H]2COCC[N@@H+]2C)cc1 ZINC000599794388 492208967 /nfs/dbraw/zinc/20/89/67/492208967.db2.gz ZQEYPXPTVBBTFT-JSGCOSHPSA-N 1 2 366.443 0.824 10 30 FCEELO C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@H]2COCC[N@H+]2C)cc1 ZINC000599794388 492208970 /nfs/dbraw/zinc/20/89/70/492208970.db2.gz ZQEYPXPTVBBTFT-JSGCOSHPSA-N 1 2 366.443 0.824 10 30 FCEELO N#CCCn1cc(C[N@@H+]2CCO[C@@H](CC(N)=O)C2)c(-c2ccncc2)n1 ZINC000600208614 492249800 /nfs/dbraw/zinc/24/98/00/492249800.db2.gz ONKQCPGGWKIQQK-INIZCTEOSA-N 1 2 354.414 0.935 10 30 FCEELO N#CCCn1cc(C[N@H+]2CCO[C@@H](CC(N)=O)C2)c(-c2ccncc2)n1 ZINC000600208614 492249802 /nfs/dbraw/zinc/24/98/02/492249802.db2.gz ONKQCPGGWKIQQK-INIZCTEOSA-N 1 2 354.414 0.935 10 30 FCEELO CN(C)C(=O)CCN1CC[NH+](C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000610764497 492261694 /nfs/dbraw/zinc/26/16/94/492261694.db2.gz DAZXAMLKKUOLDW-SFHVURJKSA-N 1 2 374.485 0.588 10 30 FCEELO C=CCCCN(C)C(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000625517516 492808099 /nfs/dbraw/zinc/80/80/99/492808099.db2.gz NGIXNCIVWHHLON-QGZVFWFLSA-N 1 2 360.458 0.823 10 30 FCEELO C=CCCCN(C)C(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000625517516 492808102 /nfs/dbraw/zinc/80/81/02/492808102.db2.gz NGIXNCIVWHHLON-QGZVFWFLSA-N 1 2 360.458 0.823 10 30 FCEELO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCO[C@H](CC(N)=O)C2)c(OC)c1 ZINC000626083594 492929091 /nfs/dbraw/zinc/92/90/91/492929091.db2.gz XYQGGTUKLJEPIK-JKSUJKDBSA-N 1 2 364.442 0.740 10 30 FCEELO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCO[C@H](CC(N)=O)C2)c(OC)c1 ZINC000626083594 492929096 /nfs/dbraw/zinc/92/90/96/492929096.db2.gz XYQGGTUKLJEPIK-JKSUJKDBSA-N 1 2 364.442 0.740 10 30 FCEELO C=CCN(CCOC)C(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1[nH+]ccn1C ZINC000626638898 493004246 /nfs/dbraw/zinc/00/42/46/493004246.db2.gz WWVKLYVGRWHNSY-GJZGRUSLSA-N 1 2 350.419 0.370 10 30 FCEELO C=CCn1c(-c2cn(C)nn2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000669039567 493456455 /nfs/dbraw/zinc/45/64/55/493456455.db2.gz COXDVMISIWSZCU-UHFFFAOYSA-N 1 2 366.433 0.685 10 30 FCEELO C=CCc1ccc(OC[C@H](O)C[N@@H+]2C[C@H](O)C[C@H]2C(N)=O)c(OC)c1 ZINC000665034296 493696395 /nfs/dbraw/zinc/69/63/95/493696395.db2.gz GJBHDDPBYXLWDV-KFWWJZLASA-N 1 2 350.415 0.084 10 30 FCEELO C=CCc1ccc(OC[C@H](O)C[N@H+]2C[C@H](O)C[C@H]2C(N)=O)c(OC)c1 ZINC000665034296 493696397 /nfs/dbraw/zinc/69/63/97/493696397.db2.gz GJBHDDPBYXLWDV-KFWWJZLASA-N 1 2 350.415 0.084 10 30 FCEELO C=CCn1c(N2CC[NH+](CC(=O)NC3CC3)CC2)nnc1[C@@]1(C)CCCO1 ZINC000453445265 534441966 /nfs/dbraw/zinc/44/19/66/534441966.db2.gz UNRKOHGGDXTZBN-LJQANCHMSA-N 1 2 374.489 0.890 10 30 FCEELO C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000329356269 546553191 /nfs/dbraw/zinc/55/31/91/546553191.db2.gz GZEXWLISZLWFRI-QLFBSQMISA-N 1 2 371.503 0.853 10 30 FCEELO C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)[N@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000329356269 546553196 /nfs/dbraw/zinc/55/31/96/546553196.db2.gz GZEXWLISZLWFRI-QLFBSQMISA-N 1 2 371.503 0.853 10 30 FCEELO CNC(=O)[C@]1(COC)CCC[N@@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000591645928 546596686 /nfs/dbraw/zinc/59/66/86/546596686.db2.gz FMCZVKBAHPXNDU-GOSISDBHSA-N 1 2 350.463 0.898 10 30 FCEELO CNC(=O)[C@]1(COC)CCC[N@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000591645928 546596690 /nfs/dbraw/zinc/59/66/90/546596690.db2.gz FMCZVKBAHPXNDU-GOSISDBHSA-N 1 2 350.463 0.898 10 30 FCEELO CNC(=O)[C@@]1(COC)CCC[N@@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000591645929 546596815 /nfs/dbraw/zinc/59/68/15/546596815.db2.gz FMCZVKBAHPXNDU-SFHVURJKSA-N 1 2 350.463 0.898 10 30 FCEELO CNC(=O)[C@@]1(COC)CCC[N@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000591645929 546596820 /nfs/dbraw/zinc/59/68/20/546596820.db2.gz FMCZVKBAHPXNDU-SFHVURJKSA-N 1 2 350.463 0.898 10 30 FCEELO COC(=O)c1cc(C#N)ccc1S(=O)(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000593566910 546977344 /nfs/dbraw/zinc/97/73/44/546977344.db2.gz OIQMYAKSXWSRHO-SMDDNHRTSA-N 1 2 367.427 0.342 10 30 FCEELO COC(=O)c1cc(C#N)ccc1S(=O)(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000593566910 546977348 /nfs/dbraw/zinc/97/73/48/546977348.db2.gz OIQMYAKSXWSRHO-SMDDNHRTSA-N 1 2 367.427 0.342 10 30 FCEELO C#CC[NH+]1CCC(NS(=O)(=O)c2ccc(Cl)nc2C(=O)OC)CC1 ZINC000921438976 666452510 /nfs/dbraw/zinc/45/25/10/666452510.db2.gz OCWIJBYZKORLPY-UHFFFAOYSA-N 1 2 371.846 0.898 10 30 FCEELO C#CC[NH+]1CCC(NS(=O)(=O)c2ccc(CNC(C)=O)s2)CC1 ZINC000921439912 666453044 /nfs/dbraw/zinc/45/30/44/666453044.db2.gz MZOVAUWXUPJFEO-UHFFFAOYSA-N 1 2 355.485 0.760 10 30 FCEELO C=CCNS(=O)(=O)c1cc(C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)ccc1F ZINC000913552460 666536639 /nfs/dbraw/zinc/53/66/39/666536639.db2.gz OPAXIBPWPRRLRK-CYBMUJFWSA-N 1 2 371.434 0.039 10 30 FCEELO C=CCNS(=O)(=O)c1cc(C(=O)N2CC[N@H+](C)[C@@H](CO)C2)ccc1F ZINC000913552460 666536642 /nfs/dbraw/zinc/53/66/42/666536642.db2.gz OPAXIBPWPRRLRK-CYBMUJFWSA-N 1 2 371.434 0.039 10 30 FCEELO N#Cc1cc(CS(=O)(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cs1 ZINC000914345101 666743645 /nfs/dbraw/zinc/74/36/45/666743645.db2.gz XHULRRWXMWCBFL-HUUCEWRRSA-N 1 2 355.485 0.981 10 30 FCEELO C#C[C@H](CO)[NH2+]CCS(=O)(=O)c1ccccc1S(=O)(=O)CCC ZINC000843105693 670775488 /nfs/dbraw/zinc/77/54/88/670775488.db2.gz WFZYSTMHGZUJPK-CYBMUJFWSA-N 1 2 359.469 0.228 10 30 FCEELO CC(C)(C)OC(=O)N1CC[C@](O)(C[NH+]2CCN(C(=O)CC#N)CC2)C1 ZINC000846955578 671161843 /nfs/dbraw/zinc/16/18/43/671161843.db2.gz FNOOAXIVVOIHSH-KRWDZBQOSA-N 1 2 352.435 0.416 10 30 FCEELO C#CC[N@@H+](C[C@@H](O)P(=O)(OCC)OCC)[C@H]1CCS(=O)(=O)C1 ZINC000851839725 671472921 /nfs/dbraw/zinc/47/29/21/671472921.db2.gz BWAAXDDFVXTWNS-STQMWFEESA-N 1 2 353.377 0.693 10 30 FCEELO C#CC[N@H+](C[C@@H](O)P(=O)(OCC)OCC)[C@H]1CCS(=O)(=O)C1 ZINC000851839725 671472922 /nfs/dbraw/zinc/47/29/22/671472922.db2.gz BWAAXDDFVXTWNS-STQMWFEESA-N 1 2 353.377 0.693 10 30 FCEELO C#C[C@H]1CC[C@H](NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC000872887661 672681006 /nfs/dbraw/zinc/68/10/06/672681006.db2.gz MLVFGLQHSQBFGF-SHTZXODSSA-N 1 2 355.504 0.987 10 30 FCEELO C#CC[NH+]1CCC(C(=O)Nc2ccc3c(c2)S(=O)(=O)CC(=O)N3)CC1 ZINC000874890226 672805955 /nfs/dbraw/zinc/80/59/55/672805955.db2.gz WCMKEALFPBFZKT-UHFFFAOYSA-N 1 2 361.423 0.696 10 30 FCEELO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CC(=O)NC(=O)NC)C1 ZINC001481537746 1186251292 /nfs/dbraw/zinc/25/12/92/1186251292.db2.gz VNGSHAUDRRTNOG-YDHLFZDLSA-N 1 2 352.435 0.004 10 30 FCEELO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CC(=O)NC(=O)NC)C1 ZINC001481537746 1186251295 /nfs/dbraw/zinc/25/12/95/1186251295.db2.gz VNGSHAUDRRTNOG-YDHLFZDLSA-N 1 2 352.435 0.004 10 30 FCEELO C#CCN(C(=O)[C@H]1CC[C@@H](C(N)=O)C1)C1CC[NH+](Cc2nccn2C)CC1 ZINC001270345705 1188109921 /nfs/dbraw/zinc/10/99/21/1188109921.db2.gz LQNLZUGMYOLTRC-CVEARBPZSA-N 1 2 371.485 0.748 10 30 FCEELO C#CC[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1cn[nH]n1)C2 ZINC001719935530 1191222090 /nfs/dbraw/zinc/22/20/90/1191222090.db2.gz SOMAXKTXDCIZSS-NCOADZHNSA-N 1 2 370.457 0.083 10 30 FCEELO C#CC[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1cn[nH]n1)C2 ZINC001719935530 1191222094 /nfs/dbraw/zinc/22/20/94/1191222094.db2.gz SOMAXKTXDCIZSS-NCOADZHNSA-N 1 2 370.457 0.083 10 30 FCEELO C#CC[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1c[nH]nn1)C2 ZINC001719935530 1191222097 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0.301 10 30 FCEELO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1S(=O)(=O)Cc1ccc(CC#N)cc1 ZINC000569336181 491652929 /nfs/dbraw/zinc/65/29/29/491652929.db2.gz XDLWQVZOHAFZED-LSDHHAIUSA-N 1 2 351.472 0.969 10 30 FCEELO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1S(=O)(=O)Cc1ccc(CC#N)cc1 ZINC000569336181 491652931 /nfs/dbraw/zinc/65/29/31/491652931.db2.gz XDLWQVZOHAFZED-LSDHHAIUSA-N 1 2 351.472 0.969 10 30 FCEELO C=CCNC(=O)C[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2CC)CC1 ZINC000579863280 491707249 /nfs/dbraw/zinc/70/72/49/491707249.db2.gz JWXMBPAIDZLOLM-UHFFFAOYSA-N 1 2 358.450 0.123 10 30 FCEELO CC1(C)C[N@H+](CCNC(=O)C(=O)NCc2ccc(C#N)cc2F)CCO1 ZINC000586860032 491734349 /nfs/dbraw/zinc/73/43/49/491734349.db2.gz POSFHQKDLVLCBF-UHFFFAOYSA-N 1 2 362.405 0.541 10 30 FCEELO CC1(C)C[N@@H+](CCNC(=O)C(=O)NCc2ccc(C#N)cc2F)CCO1 ZINC000586860032 491734351 /nfs/dbraw/zinc/73/43/51/491734351.db2.gz POSFHQKDLVLCBF-UHFFFAOYSA-N 1 2 362.405 0.541 10 30 FCEELO C=CCCCN(C)C(=O)C(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000580673116 491741141 /nfs/dbraw/zinc/74/11/41/491741141.db2.gz VEFBXRYGIDNHNY-CQSZACIVSA-N 1 2 361.446 0.452 10 30 FCEELO Cc1ncc(S(=O)(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1C#N ZINC000589907695 491766923 /nfs/dbraw/zinc/76/69/23/491766923.db2.gz AKAILULUHALSAJ-HZPDHXFCSA-N 1 2 350.444 0.481 10 30 FCEELO C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CC)CC1 ZINC000584324734 491862952 /nfs/dbraw/zinc/86/29/52/491862952.db2.gz KIFARJGJEDVCIX-AWEZNQCLSA-N 1 2 353.492 0.898 10 30 FCEELO N#Cc1ccc(NCC(=O)NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)nc1 ZINC000600679896 491874998 /nfs/dbraw/zinc/87/49/98/491874998.db2.gz BSGYYTKZFFOAAF-QGZVFWFLSA-N 1 2 366.425 0.777 10 30 FCEELO N#Cc1ccc(NCC(=O)NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)nc1 ZINC000600679896 491875001 /nfs/dbraw/zinc/87/50/01/491875001.db2.gz BSGYYTKZFFOAAF-QGZVFWFLSA-N 1 2 366.425 0.777 10 30 FCEELO N#Cc1cc(N2CC[NH+](CC(=O)N3CCOCC3)CC2)nc(C2CC2)n1 ZINC000601100995 491896201 /nfs/dbraw/zinc/89/62/01/491896201.db2.gz SJBKNOGWJXQJIE-UHFFFAOYSA-N 1 2 356.430 0.206 10 30 FCEELO COC(=O)CCN1CCC[C@H]([NH+]2CCN([C@@H](C#N)C(C)C)CC2)C1=O ZINC000595397504 491928221 /nfs/dbraw/zinc/92/82/21/491928221.db2.gz KBGZDPSOBYHOHT-HOTGVXAUSA-N 1 2 350.463 0.706 10 30 FCEELO COC(=O)CCN1CC[C@H]([NH+]2CCN(c3cccc(C#N)n3)CC2)C1=O ZINC000595434936 491930774 /nfs/dbraw/zinc/93/07/74/491930774.db2.gz IELXPTPCCWPTMF-HNNXBMFYSA-N 1 2 357.414 0.239 10 30 FCEELO C=CCNC(=O)C[NH+]1CCN(c2nnc(-c3cc[nH]n3)n2CC2CC2)CC1 ZINC000613085906 491966094 /nfs/dbraw/zinc/96/60/94/491966094.db2.gz DNLQNVOPEDZDAY-UHFFFAOYSA-N 1 2 370.461 0.502 10 30 FCEELO N#Cc1ccc(NC[C@@]2(CO)COCC[N@@H+]2Cc2ccccc2)nc1N ZINC000596516148 491988206 /nfs/dbraw/zinc/98/82/06/491988206.db2.gz RMUJWFUFUIXTCZ-LJQANCHMSA-N 1 2 353.426 1.211 10 30 FCEELO N#Cc1ccc(NC[C@@]2(CO)COCC[N@H+]2Cc2ccccc2)nc1N ZINC000596516148 491988208 /nfs/dbraw/zinc/98/82/08/491988208.db2.gz RMUJWFUFUIXTCZ-LJQANCHMSA-N 1 2 353.426 1.211 10 30 FCEELO C[C@@H](CC#N)C(=O)NCc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000597262803 492025657 /nfs/dbraw/zinc/02/56/57/492025657.db2.gz SUVLJQZUBVDDSG-AWEZNQCLSA-N 1 2 364.471 0.789 10 30 FCEELO Cn1c(C#N)ccc1C(=O)NC[C@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000598365801 492096228 /nfs/dbraw/zinc/09/62/28/492096228.db2.gz YBFXTMCCJDTBHV-FQEVSTJZSA-N 1 2 368.437 0.890 10 30 FCEELO Cn1c(C#N)ccc1C(=O)NC[C@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000598365801 492096230 /nfs/dbraw/zinc/09/62/30/492096230.db2.gz YBFXTMCCJDTBHV-FQEVSTJZSA-N 1 2 368.437 0.890 10 30 FCEELO N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)cc1 ZINC000598940861 492125922 /nfs/dbraw/zinc/12/59/22/492125922.db2.gz AXDXUDUZKOUQMR-CYBMUJFWSA-N 1 2 359.411 0.430 10 30 FCEELO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccnc(C#N)c2)C1 ZINC000617063807 492153329 /nfs/dbraw/zinc/15/33/29/492153329.db2.gz OPRKZQOATUNROK-MRXNPFEDSA-N 1 2 352.460 0.826 10 30 FCEELO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccnc(C#N)c2)C1 ZINC000617063807 492153330 /nfs/dbraw/zinc/15/33/30/492153330.db2.gz OPRKZQOATUNROK-MRXNPFEDSA-N 1 2 352.460 0.826 10 30 FCEELO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(NS(N)(=O)=O)CC1 ZINC000599648364 492196585 /nfs/dbraw/zinc/19/65/85/492196585.db2.gz WEWHEDXIJHSOCI-LLVKDONJSA-N 1 2 351.432 0.143 10 30 FCEELO CNS(=O)(=O)C[C@@H]1CCC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000599690860 492199450 /nfs/dbraw/zinc/19/94/50/492199450.db2.gz AIORNUOIIJCPPZ-LLVKDONJSA-N 1 2 356.473 0.819 10 30 FCEELO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000599690860 492199451 /nfs/dbraw/zinc/19/94/51/492199451.db2.gz AIORNUOIIJCPPZ-LLVKDONJSA-N 1 2 356.473 0.819 10 30 FCEELO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)CCN1CCCS1(=O)=O ZINC000610615190 492254796 /nfs/dbraw/zinc/25/47/96/492254796.db2.gz RHXUUAUQFDNDQH-CYBMUJFWSA-N 1 2 350.444 0.853 10 30 FCEELO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)CCN1CCCS1(=O)=O ZINC000610615190 492254798 /nfs/dbraw/zinc/25/47/98/492254798.db2.gz RHXUUAUQFDNDQH-CYBMUJFWSA-N 1 2 350.444 0.853 10 30 FCEELO C=CCc1ccc(OCC(=O)N[C@H](CO)C[NH+]2CCOCC2)c(OC)c1 ZINC000647662364 492342190 /nfs/dbraw/zinc/34/21/90/492342190.db2.gz ZARHHYPMCGZTLK-INIZCTEOSA-N 1 2 364.442 0.612 10 30 FCEELO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1[nH+]ccn1C ZINC000627830473 492395221 /nfs/dbraw/zinc/39/52/21/492395221.db2.gz VBJLZQPYWROYNC-SDADXPQNSA-N 1 2 362.430 0.416 10 30 FCEELO C=C(C)[C@H](CO)[NH+]1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 ZINC000649363392 492548214 /nfs/dbraw/zinc/54/82/14/492548214.db2.gz KGNQORYXCTVGCY-AWEZNQCLSA-N 1 2 350.444 0.806 10 30 FCEELO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCO[C@H](CC(N)=O)C2)c(OC)c1 ZINC000626083593 492929339 /nfs/dbraw/zinc/92/93/39/492929339.db2.gz XYQGGTUKLJEPIK-HZPDHXFCSA-N 1 2 364.442 0.740 10 30 FCEELO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCO[C@H](CC(N)=O)C2)c(OC)c1 ZINC000626083593 492929342 /nfs/dbraw/zinc/92/93/42/492929342.db2.gz XYQGGTUKLJEPIK-HZPDHXFCSA-N 1 2 364.442 0.740 10 30 FCEELO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(CCOC)[C@@H]1CCS(=O)(=O)C1 ZINC000662081683 493487373 /nfs/dbraw/zinc/48/73/73/493487373.db2.gz QWXXEAXRRMGPPP-OWCLPIDISA-N 1 2 356.488 0.832 10 30 FCEELO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(CCOC)[C@@H]1CCS(=O)(=O)C1 ZINC000662081683 493487375 /nfs/dbraw/zinc/48/73/75/493487375.db2.gz QWXXEAXRRMGPPP-OWCLPIDISA-N 1 2 356.488 0.832 10 30 FCEELO COCC#CC[NH+]1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 ZINC000679559132 493687043 /nfs/dbraw/zinc/68/70/43/493687043.db2.gz JEXVASMWSVJMSM-KRWDZBQOSA-N 1 2 359.474 0.491 10 30 FCEELO COCC#CCN1CC[NH+]([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 ZINC000679559132 493687044 /nfs/dbraw/zinc/68/70/44/493687044.db2.gz JEXVASMWSVJMSM-KRWDZBQOSA-N 1 2 359.474 0.491 10 30 FCEELO C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000665786972 493737424 /nfs/dbraw/zinc/73/74/24/493737424.db2.gz BGUWRKLORHRHNZ-CJNGLKHVSA-N 1 2 350.463 0.269 10 30 FCEELO C=CCn1c(N2CC[NH+](CC(=O)NCC)CC2)nnc1[C@@]1(C)CCCO1 ZINC000453443626 534441820 /nfs/dbraw/zinc/44/18/20/534441820.db2.gz RCNXRJDGYHUGDV-GOSISDBHSA-N 1 2 362.478 0.748 10 30 FCEELO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCN([C@@H](C)c2nc(CC)no2)CC1 ZINC000106137686 526601308 /nfs/dbraw/zinc/60/13/08/526601308.db2.gz IVXBCEMUWJOWSN-OLZOCXBDSA-N 1 2 364.450 0.711 10 30 FCEELO C=CCNC(=O)NC(=O)[C@H](C)N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000106090246 526609566 /nfs/dbraw/zinc/60/95/66/526609566.db2.gz MTDASRNEYCOPQF-LBPRGKRZSA-N 1 2 351.476 0.969 10 30 FCEELO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000329413542 546554869 /nfs/dbraw/zinc/55/48/69/546554869.db2.gz CJMPCPPIVJPMIK-HZPDHXFCSA-N 1 2 352.479 0.956 10 30 FCEELO CCOC(=O)c1snc2c1ncn(C[C@H](O)C[N@H+](C)CCC#N)c2=O ZINC000593000368 546682845 /nfs/dbraw/zinc/68/28/45/546682845.db2.gz MVWXNBKLCXHLSH-SNVBAGLBSA-N 1 2 365.415 0.236 10 30 FCEELO CCOC(=O)c1snc2c1ncn(C[C@H](O)C[N@@H+](C)CCC#N)c2=O ZINC000593000368 546682848 /nfs/dbraw/zinc/68/28/48/546682848.db2.gz MVWXNBKLCXHLSH-SNVBAGLBSA-N 1 2 365.415 0.236 10 30 FCEELO CN(C)C(=O)CC[NH+]1CCN(S(=O)(=O)c2ccsc2C#N)CC1 ZINC000593563376 546976094 /nfs/dbraw/zinc/97/60/94/546976094.db2.gz VFYBGGFRKQGSOE-UHFFFAOYSA-N 1 2 356.473 0.404 10 30 FCEELO COC(=O)c1cc(C#N)ccc1S(=O)(=O)NCC[N@@H+]1CCCOCC1 ZINC000593587855 546979479 /nfs/dbraw/zinc/97/94/79/546979479.db2.gz HWRPKRGCQRUWSJ-UHFFFAOYSA-N 1 2 367.427 0.345 10 30 FCEELO COC(=O)c1cc(C#N)ccc1S(=O)(=O)NCC[N@H+]1CCCOCC1 ZINC000593587855 546979484 /nfs/dbraw/zinc/97/94/84/546979484.db2.gz HWRPKRGCQRUWSJ-UHFFFAOYSA-N 1 2 367.427 0.345 10 30 FCEELO COC(=O)c1cc(C#N)ccc1S(=O)(=O)NCC[NH+]1CCC(O)CC1 ZINC000593609393 546983648 /nfs/dbraw/zinc/98/36/48/546983648.db2.gz OLMNNDXWLDDFEQ-UHFFFAOYSA-N 1 2 367.427 0.080 10 30 FCEELO CON(C)C(=O)CC[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000788021186 665188692 /nfs/dbraw/zinc/18/86/92/665188692.db2.gz ZHFDVAVDMZDMSI-UHFFFAOYSA-N 1 2 366.443 0.274 10 30 FCEELO C#CC[NH+]1CCC(NS(=O)(=O)c2sc(C(=O)OC)cc2OC)CC1 ZINC000921438584 666452623 /nfs/dbraw/zinc/45/26/23/666452623.db2.gz FINZRMNCAYQISM-UHFFFAOYSA-N 1 2 372.468 0.919 10 30 FCEELO 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N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)C1 ZINC001479958797 1263420028 /nfs/dbraw/zinc/42/00/28/1263420028.db2.gz LMWWORINGSUPBQ-VHDGCEQUSA-N 1 2 362.380 0.899 10 30 FCEELO CC[C@@H]1[C@@H](NC(=O)c2cnc3n[nH]cc3c2)CC[N@@H+]1CC(=O)NCC#N ZINC001316733728 1263441936 /nfs/dbraw/zinc/44/19/36/1263441936.db2.gz RPRXCKUNSTYSDV-UONOGXRCSA-N 1 2 355.402 0.180 10 30 FCEELO CC[C@@H]1[C@@H](NC(=O)c2cnc3n[nH]cc3c2)CC[N@H+]1CC(=O)NCC#N ZINC001316733728 1263441941 /nfs/dbraw/zinc/44/19/41/1263441941.db2.gz RPRXCKUNSTYSDV-UONOGXRCSA-N 1 2 355.402 0.180 10 30 FCEELO CCN(CCC#N)C(=O)C[N@@H+]1CC[C@H](NC(=O)c2nnn(C)c2C)[C@H]1C ZINC001316778836 1263469836 /nfs/dbraw/zinc/46/98/36/1263469836.db2.gz DBZHLAURVPCMCO-OCCSQVGLSA-N 1 2 361.450 0.078 10 30 FCEELO CCN(CCC#N)C(=O)C[N@H+]1CC[C@H](NC(=O)c2nnn(C)c2C)[C@H]1C ZINC001316778836 1263469841 /nfs/dbraw/zinc/46/98/41/1263469841.db2.gz DBZHLAURVPCMCO-OCCSQVGLSA-N 1 2 361.450 0.078 10 30 FCEELO C#CCO[C@@H](C)C(=O)N[C@H]1CC[N@H+](CC(=O)Nc2ccc(O)cc2)[C@@H]1C ZINC001316783590 1263473835 /nfs/dbraw/zinc/47/38/35/1263473835.db2.gz WFDFYXZVLOFIKS-KEYYUXOJSA-N 1 2 359.426 0.948 10 30 FCEELO C#CCO[C@@H](C)C(=O)N[C@H]1CC[N@@H+](CC(=O)Nc2ccc(O)cc2)[C@@H]1C ZINC001316783590 1263473841 /nfs/dbraw/zinc/47/38/41/1263473841.db2.gz WFDFYXZVLOFIKS-KEYYUXOJSA-N 1 2 359.426 0.948 10 30 FCEELO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc(-c3cn[nH]c3)cn2)[C@H]1C ZINC001316787659 1263478192 /nfs/dbraw/zinc/47/81/92/1263478192.db2.gz OGCINFMJINNNNS-CJNGLKHVSA-N 1 2 366.425 0.414 10 30 FCEELO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc(-c3cn[nH]c3)cn2)[C@H]1C ZINC001316787659 1263478199 /nfs/dbraw/zinc/47/81/99/1263478199.db2.gz OGCINFMJINNNNS-CJNGLKHVSA-N 1 2 366.425 0.414 10 30 FCEELO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H](Cc2ccccc2)OC)[C@H]1C ZINC001316799583 1263489350 /nfs/dbraw/zinc/48/93/50/1263489350.db2.gz WBNPBCRNFLIDNF-NJAFHUGGSA-N 1 2 357.454 0.573 10 30 FCEELO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H](Cc2ccccc2)OC)[C@H]1C ZINC001316799583 1263489353 /nfs/dbraw/zinc/48/93/53/1263489353.db2.gz WBNPBCRNFLIDNF-NJAFHUGGSA-N 1 2 357.454 0.573 10 30 FCEELO C#Cc1cccc(NC(=O)C[N@H+](CC)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001317480033 1263514804 /nfs/dbraw/zinc/51/48/04/1263514804.db2.gz NJGQZMOOLSCKFU-HZPDHXFCSA-N 1 2 358.398 0.710 10 30 FCEELO C#Cc1cccc(NC(=O)C[N@@H+](CC)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001317480033 1263514814 /nfs/dbraw/zinc/51/48/14/1263514814.db2.gz NJGQZMOOLSCKFU-HZPDHXFCSA-N 1 2 358.398 0.710 10 30 FCEELO C=CCOCC[NH+]1CC(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1 ZINC001318070279 1263543711 /nfs/dbraw/zinc/54/37/11/1263543711.db2.gz WYALWZMMMZOIGF-FUHWJXTLSA-N 1 2 358.442 0.604 10 30 FCEELO COc1cccc([C@@H]2C[C@H]2C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C2)c1 ZINC001318284740 1263558651 /nfs/dbraw/zinc/55/86/51/1263558651.db2.gz VFGHIHBBFIOBEL-BHYGNILZSA-N 1 2 356.426 0.629 10 30 FCEELO COc1cccc([C@@H]2C[C@H]2C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C2)c1 ZINC001318284740 1263558661 /nfs/dbraw/zinc/55/86/61/1263558661.db2.gz VFGHIHBBFIOBEL-BHYGNILZSA-N 1 2 356.426 0.629 10 30 FCEELO C#CCCCC(=O)N1CC[NH+](CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001493132703 1263702528 /nfs/dbraw/zinc/70/25/28/1263702528.db2.gz JSCMZAXSQRTDND-HUUCEWRRSA-N 1 2 350.419 0.106 10 30 FCEELO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@]1(O)CC[N@@H+](Cc2ccn(CC)n2)C1 ZINC001500735804 1264086381 /nfs/dbraw/zinc/08/63/81/1264086381.db2.gz HOYVNEQAIKCWDU-JENIJYKNSA-N 1 2 362.474 0.937 10 30 FCEELO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@]1(O)CC[N@H+](Cc2ccn(CC)n2)C1 ZINC001500735804 1264086387 /nfs/dbraw/zinc/08/63/87/1264086387.db2.gz HOYVNEQAIKCWDU-JENIJYKNSA-N 1 2 362.474 0.937 10 30 FCEELO C=CCNC(=O)C[N@H+]1CCC[C@](CO)(NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC001501338775 1264116224 /nfs/dbraw/zinc/11/62/24/1264116224.db2.gz XOIIYRYPAULIMP-BVYOLEPJSA-N 1 2 365.474 0.047 10 30 FCEELO C=CCNC(=O)C[N@@H+]1CCC[C@](CO)(NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC001501338775 1264116232 /nfs/dbraw/zinc/11/62/32/1264116232.db2.gz XOIIYRYPAULIMP-BVYOLEPJSA-N 1 2 365.474 0.047 10 30 FCEELO C=CCNC(=O)C[N@H+]1CCC[C@](CO)(NC(=O)[C@@H]2CCO[C@H]2CC)C1 ZINC001501337590 1264117096 /nfs/dbraw/zinc/11/70/96/1264117096.db2.gz MQZDLQLFIDGIDE-VKJFTORMSA-N 1 2 353.463 0.047 10 30 FCEELO C=CCNC(=O)C[N@@H+]1CCC[C@](CO)(NC(=O)[C@@H]2CCO[C@H]2CC)C1 ZINC001501337590 1264117102 /nfs/dbraw/zinc/11/71/02/1264117102.db2.gz MQZDLQLFIDGIDE-VKJFTORMSA-N 1 2 353.463 0.047 10 30 FCEELO C#CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001506348642 1264313040 /nfs/dbraw/zinc/31/30/40/1264313040.db2.gz GESBHSYHBWGXTL-HUUCEWRRSA-N 1 2 359.386 0.001 10 30 FCEELO C#CCNC(=O)CC(=O)NC[C@]1(C)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001506578447 1264329398 /nfs/dbraw/zinc/32/93/98/1264329398.db2.gz FPUVOFFJJAHASS-LPMFXHHGSA-N 1 2 371.441 0.008 10 30 FCEELO C#CCNC(=O)CC(=O)NC[C@]1(C)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001506578447 1264329407 /nfs/dbraw/zinc/32/94/07/1264329407.db2.gz FPUVOFFJJAHASS-LPMFXHHGSA-N 1 2 371.441 0.008 10 30 FCEELO C#CC[NH+]1CCN(c2nnc(-c3cccc(C)n3)n2CC(=O)N(C)C)CC1 ZINC001507723623 1264386802 /nfs/dbraw/zinc/38/68/02/1264386802.db2.gz OSPWKRYWFXGVJA-UHFFFAOYSA-N 1 2 367.457 0.492 10 30 FCEELO CCN(CCC#N)C(=O)C[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001324309183 1264615684 /nfs/dbraw/zinc/61/56/84/1264615684.db2.gz KGTYIOKFIRDSIE-ZIAGYGMSSA-N 1 2 365.434 0.384 10 30 FCEELO C#CCC1(C(=O)N2C[C@@H](O)[C@H](NC(=O)C[C@H](C)n3cc[nH+]c3)C2)CCC1 ZINC001512948063 1264758640 /nfs/dbraw/zinc/75/86/40/1264758640.db2.gz LSJLTFHKMWXBNW-ARFHVFGLSA-N 1 2 358.442 0.716 10 30 FCEELO C=CCC1(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)CCC1 ZINC001513075904 1264916651 /nfs/dbraw/zinc/91/66/51/1264916651.db2.gz WPQKMLUTSIUDLF-KCYZZUKISA-N 1 2 372.469 0.958 10 30 FCEELO C#CCOCCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC001513197097 1264954510 /nfs/dbraw/zinc/95/45/10/1264954510.db2.gz UBEPLKACQNXSGJ-OWCLPIDISA-N 1 2 358.442 0.449 10 30 FCEELO C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1OC ZINC001513365361 1265066149 /nfs/dbraw/zinc/06/61/49/1265066149.db2.gz QDNDDLRQKJXWHL-CKEIUWERSA-N 1 2 350.419 0.011 10 30 FCEELO C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1OC ZINC001513365361 1265066159 /nfs/dbraw/zinc/06/61/59/1265066159.db2.gz QDNDDLRQKJXWHL-CKEIUWERSA-N 1 2 350.419 0.011 10 30 FCEELO C=CCn1cc(C(=O)NCCN(CC)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)nn1 ZINC001528862785 1267002648 /nfs/dbraw/zinc/00/26/48/1267002648.db2.gz RUTKWRWPQWWGBF-ZIAGYGMSSA-N 1 2 371.445 0.580 10 30 FCEELO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001533289267 1267210875 /nfs/dbraw/zinc/21/08/75/1267210875.db2.gz JNWQDLNVMYMLOU-KFWWJZLASA-N 1 2 364.446 0.111 10 30 FCEELO C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CC[NH+](CC#C)CC1 ZINC001539044915 1267417802 /nfs/dbraw/zinc/41/78/02/1267417802.db2.gz MWINZSYOZZSLPO-UHFFFAOYSA-N 1 2 356.474 0.975 10 30 FCEELO C#CC[NH+]1CCN(c2nnc(C(C)C)n2Cc2ccc(C(N)=O)nc2)CC1 ZINC001539429877 1267427594 /nfs/dbraw/zinc/42/75/94/1267427594.db2.gz FMCSLQLUVJNONH-UHFFFAOYSA-N 1 2 367.457 0.699 10 30 FCEELO CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001542978533 1267517950 /nfs/dbraw/zinc/51/79/50/1267517950.db2.gz RREBJYHREJGESJ-ZIAGYGMSSA-N 1 2 366.462 0.359 10 30 FCEELO CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001542978533 1267517960 /nfs/dbraw/zinc/51/79/60/1267517960.db2.gz RREBJYHREJGESJ-ZIAGYGMSSA-N 1 2 366.462 0.359 10 30 FCEELO C=CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N(C)[C@H]1C[C@@H](C(N)=O)C1 ZINC001338693959 1268046407 /nfs/dbraw/zinc/04/64/07/1268046407.db2.gz SBSJADHSRHFQEE-ZNMIVQPWSA-N 1 2 362.478 0.946 10 30 FCEELO C=CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N(C)[C@H]1C[C@@H](C(N)=O)C1 ZINC001338693959 1268046420 /nfs/dbraw/zinc/04/64/20/1268046420.db2.gz SBSJADHSRHFQEE-ZNMIVQPWSA-N 1 2 362.478 0.946 10 30 FCEELO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CCN(C(=O)C(C)C)CC1 ZINC001338769433 1268082336 /nfs/dbraw/zinc/08/23/36/1268082336.db2.gz AEVCNKIBQIADCO-CABCVRRESA-N 1 2 362.478 0.506 10 30 FCEELO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CCN(C(=O)C(C)C)CC1 ZINC001338769433 1268082342 /nfs/dbraw/zinc/08/23/42/1268082342.db2.gz AEVCNKIBQIADCO-CABCVRRESA-N 1 2 362.478 0.506 10 30 FCEELO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CCC[C@@H](N2CCCC2=O)C1 ZINC001338770382 1268082878 /nfs/dbraw/zinc/08/28/78/1268082878.db2.gz FAMYOOSCLSMBGZ-OAGGEKHMSA-N 1 2 374.489 0.793 10 30 FCEELO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CCC[C@@H](N2CCCC2=O)C1 ZINC001338770382 1268082891 /nfs/dbraw/zinc/08/28/91/1268082891.db2.gz FAMYOOSCLSMBGZ-OAGGEKHMSA-N 1 2 374.489 0.793 10 30 FCEELO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CCN(C(=O)OC)CC1 ZINC001338775061 1268088760 /nfs/dbraw/zinc/08/87/60/1268088760.db2.gz SVYWSNONASQENF-OLZOCXBDSA-N 1 2 350.423 0.090 10 30 FCEELO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CCN(C(=O)OC)CC1 ZINC001338775061 1268088773 /nfs/dbraw/zinc/08/87/73/1268088773.db2.gz SVYWSNONASQENF-OLZOCXBDSA-N 1 2 350.423 0.090 10 30 FCEELO C=CCn1c([C@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CCN(c2cccnn2)CC1 ZINC001338775093 1268088862 /nfs/dbraw/zinc/08/88/62/1268088862.db2.gz UJGGTDLJKBWWHT-HUUCEWRRSA-N 1 2 370.461 0.318 10 30 FCEELO C=CCn1c([C@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CCN(c2cccnn2)CC1 ZINC001338775093 1268088873 /nfs/dbraw/zinc/08/88/73/1268088873.db2.gz UJGGTDLJKBWWHT-HUUCEWRRSA-N 1 2 370.461 0.318 10 30 FCEELO C=CCn1c([C@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CCN(C(=O)OC)CC1 ZINC001338775060 1268089472 /nfs/dbraw/zinc/08/94/72/1268089472.db2.gz SVYWSNONASQENF-CHWSQXEVSA-N 1 2 350.423 0.090 10 30 FCEELO C=CCn1c([C@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CCN(C(=O)OC)CC1 ZINC001338775060 1268089485 /nfs/dbraw/zinc/08/94/85/1268089485.db2.gz SVYWSNONASQENF-CHWSQXEVSA-N 1 2 350.423 0.090 10 30 FCEELO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CCC[C@@H](n2ccnn2)C1 ZINC001338893985 1268115833 /nfs/dbraw/zinc/11/58/33/1268115833.db2.gz DEZJHDWPRJPLPG-KFWWJZLASA-N 1 2 358.450 0.635 10 30 FCEELO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CCC[C@@H](n2ccnn2)C1 ZINC001338893985 1268115837 /nfs/dbraw/zinc/11/58/37/1268115837.db2.gz DEZJHDWPRJPLPG-KFWWJZLASA-N 1 2 358.450 0.635 10 30 FCEELO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CC[C@@H](OCCOC)C1 ZINC001338894668 1268115879 /nfs/dbraw/zinc/11/58/79/1268115879.db2.gz KQNCWCNPEQIWEV-KFWWJZLASA-N 1 2 351.451 0.443 10 30 FCEELO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CC[C@@H](OCCOC)C1 ZINC001338894668 1268115881 /nfs/dbraw/zinc/11/58/81/1268115881.db2.gz KQNCWCNPEQIWEV-KFWWJZLASA-N 1 2 351.451 0.443 10 30 FCEELO C=CCn1c(N2CCN(C3CC3)C(=O)C2)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001339194992 1268183492 /nfs/dbraw/zinc/18/34/92/1268183492.db2.gz FHCUMEXKQNKBTM-KSSFIOAISA-N 1 2 360.462 0.187 10 30 FCEELO C=CCn1c(N2CCN(C3CC3)C(=O)C2)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001339194992 1268183495 /nfs/dbraw/zinc/18/34/95/1268183495.db2.gz FHCUMEXKQNKBTM-KSSFIOAISA-N 1 2 360.462 0.187 10 30 FCEELO C=CCn1c(C[NH+]2CCC(C(N)=O)CC2)nnc1N1C[C@@H]2COC[C@]2(C)C1 ZINC001339219990 1268188560 /nfs/dbraw/zinc/18/85/60/1268188560.db2.gz VFPIEOXDUVGFOI-BEFAXECRSA-N 1 2 374.489 0.634 10 30 FCEELO C=C[C@@H](O)c1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1CC ZINC001339354634 1268218541 /nfs/dbraw/zinc/21/85/41/1268218541.db2.gz QREODDSVEVQIHI-LSDHHAIUSA-N 1 2 362.478 0.650 10 30 FCEELO C=C[C@@H](O)c1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1CC ZINC001339354631 1268219295 /nfs/dbraw/zinc/21/92/95/1268219295.db2.gz QREODDSVEVQIHI-HUUCEWRRSA-N 1 2 362.478 0.650 10 30 FCEELO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CCC(C(=O)NOC)CC1 ZINC001339528911 1268260915 /nfs/dbraw/zinc/26/09/15/1268260915.db2.gz FQSAIHODZVSWCB-KGLIPLIRSA-N 1 2 364.450 0.096 10 30 FCEELO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CCC(C(=O)NOC)CC1 ZINC001339528911 1268260918 /nfs/dbraw/zinc/26/09/18/1268260918.db2.gz FQSAIHODZVSWCB-KGLIPLIRSA-N 1 2 364.450 0.096 10 30 FCEELO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CCC[C@H](OCCOC)C1 ZINC001339528469 1268261104 /nfs/dbraw/zinc/26/11/04/1268261104.db2.gz BXWJMQHKNCVDOU-PMPSAXMXSA-N 1 2 365.478 0.833 10 30 FCEELO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CCC[C@H](OCCOC)C1 ZINC001339528469 1268261112 /nfs/dbraw/zinc/26/11/12/1268261112.db2.gz BXWJMQHKNCVDOU-PMPSAXMXSA-N 1 2 365.478 0.833 10 30 FCEELO C=CCn1c(N2CC[C@H](NC(=O)OC)C2)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001339853646 1268347101 /nfs/dbraw/zinc/34/71/01/1268347101.db2.gz IXLCFDUXHTWBMB-AHIWAGSCSA-N 1 2 364.450 0.310 10 30 FCEELO C=CCn1c(N2CC[C@H](NC(=O)OC)C2)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001339853646 1268347108 /nfs/dbraw/zinc/34/71/08/1268347108.db2.gz IXLCFDUXHTWBMB-AHIWAGSCSA-N 1 2 364.450 0.310 10 30 FCEELO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCN(c2cccnn2)CC1 ZINC001339880535 1268355947 /nfs/dbraw/zinc/35/59/47/1268355947.db2.gz RXGHGZJSICVTAD-UHFFFAOYSA-N 1 2 365.445 0.905 10 30 FCEELO C=CCn1c(N(C)CC[NH+]2CCOCC2)nnc1[C@@]1(C)CCC(=O)NC1 ZINC001340242122 1268482357 /nfs/dbraw/zinc/48/23/57/1268482357.db2.gz PKGYICCBBIMFDI-SFHVURJKSA-N 1 2 362.478 0.400 10 30 FCEELO C#CCNC(=O)C1CCN(c2nnc([C@@]3(C)C[C@@H](O)C[N@@H+]3C)n2CC)CC1 ZINC001340883855 1268693219 /nfs/dbraw/zinc/69/32/19/1268693219.db2.gz HSLNXSSATNEVRS-DNVCBOLYSA-N 1 2 374.489 0.175 10 30 FCEELO C#CCNC(=O)C1CCN(c2nnc([C@@]3(C)C[C@@H](O)C[N@H+]3C)n2CC)CC1 ZINC001340883855 1268693225 /nfs/dbraw/zinc/69/32/25/1268693225.db2.gz HSLNXSSATNEVRS-DNVCBOLYSA-N 1 2 374.489 0.175 10 30 FCEELO C=C(C)C(C)(C)C(=O)N[C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1O ZINC001341681660 1269149461 /nfs/dbraw/zinc/14/94/61/1269149461.db2.gz OARHQOOHHBUBHS-NUEKZKHPSA-N 1 2 360.458 0.736 10 30 FCEELO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CCO[C@](C)(COC)C1 ZINC001342060859 1269325906 /nfs/dbraw/zinc/32/59/06/1269325906.db2.gz ABAQUNGHWPVRKC-KEYYUXOJSA-N 1 2 351.451 0.443 10 30 FCEELO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CCO[C@](C)(COC)C1 ZINC001342060859 1269325913 /nfs/dbraw/zinc/32/59/13/1269325913.db2.gz ABAQUNGHWPVRKC-KEYYUXOJSA-N 1 2 351.451 0.443 10 30 FCEELO C#CCNC(=O)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc[nH]2)C1 ZINC001565880436 1269499669 /nfs/dbraw/zinc/49/96/69/1269499669.db2.gz QADGLCHTGRDPEN-FUHWJXTLSA-N 1 2 350.422 0.962 10 30 FCEELO C#CCNC(=O)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc[nH]2)C1 ZINC001565880436 1269499675 /nfs/dbraw/zinc/49/96/75/1269499675.db2.gz QADGLCHTGRDPEN-FUHWJXTLSA-N 1 2 350.422 0.962 10 30 FCEELO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cn(C)nn2)C[C@H]1c1ccccc1 ZINC001565882559 1269502422 /nfs/dbraw/zinc/50/24/22/1269502422.db2.gz CJMFYACSLVVNMV-AYOQOUSVSA-N 1 2 367.453 0.938 10 30 FCEELO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cn(C)nn2)C[C@H]1c1ccccc1 ZINC001565882559 1269502424 /nfs/dbraw/zinc/50/24/24/1269502424.db2.gz CJMFYACSLVVNMV-AYOQOUSVSA-N 1 2 367.453 0.938 10 30 FCEELO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)c2coc(C)n2)[C@H]1CC ZINC001566010209 1269546913 /nfs/dbraw/zinc/54/69/13/1269546913.db2.gz DKHUPOXWYAJCRJ-GXTWGEPZSA-N 1 2 363.418 0.578 10 30 FCEELO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2coc(C)n2)[C@H]1CC ZINC001566010209 1269546915 /nfs/dbraw/zinc/54/69/15/1269546915.db2.gz DKHUPOXWYAJCRJ-GXTWGEPZSA-N 1 2 363.418 0.578 10 30 FCEELO CC[C@@H]1[C@@H](NC(=O)c2ccc3ncn(C)c3n2)CC[N@@H+]1CC(=O)NCC#N ZINC001566021775 1269559286 /nfs/dbraw/zinc/55/92/86/1269559286.db2.gz PAAOERJPCQXSAT-SWLSCSKDSA-N 1 2 369.429 0.191 10 30 FCEELO CC[C@@H]1[C@@H](NC(=O)c2ccc3ncn(C)c3n2)CC[N@H+]1CC(=O)NCC#N ZINC001566021775 1269559292 /nfs/dbraw/zinc/55/92/92/1269559292.db2.gz PAAOERJPCQXSAT-SWLSCSKDSA-N 1 2 369.429 0.191 10 30 FCEELO C#CC[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N[C@@H]3C)n2CCOC)CC1 ZINC001342678767 1269561531 /nfs/dbraw/zinc/56/15/31/1269561531.db2.gz NLOMJSHYIHKRJK-HUUCEWRRSA-N 1 2 360.462 0.062 10 30 FCEELO C[C@@H]1[C@@H](NC(=O)c2cnc(-c3ccccc3)[nH]2)CC[N@@H+]1CC(=O)NCC#N ZINC001566104108 1269606240 /nfs/dbraw/zinc/60/62/40/1269606240.db2.gz KYYRKGKMDBWTDU-HIFRSBDPSA-N 1 2 366.425 0.909 10 30 FCEELO C[C@@H]1[C@@H](NC(=O)c2cnc(-c3ccccc3)[nH]2)CC[N@H+]1CC(=O)NCC#N ZINC001566104108 1269606246 /nfs/dbraw/zinc/60/62/46/1269606246.db2.gz KYYRKGKMDBWTDU-HIFRSBDPSA-N 1 2 366.425 0.909 10 30 FCEELO C[C@@H]1[C@@H](NC(=O)c2c[nH]nc2-c2cccnc2)CC[N@@H+]1CC(=O)NCC#N ZINC001566107158 1269608772 /nfs/dbraw/zinc/60/87/72/1269608772.db2.gz XQHKYZPQWQVRDN-DOMZBBRYSA-N 1 2 367.413 0.304 10 30 FCEELO C[C@@H]1[C@@H](NC(=O)c2c[nH]nc2-c2cccnc2)CC[N@H+]1CC(=O)NCC#N ZINC001566107158 1269608777 /nfs/dbraw/zinc/60/87/77/1269608777.db2.gz XQHKYZPQWQVRDN-DOMZBBRYSA-N 1 2 367.413 0.304 10 30 FCEELO C[C@@H](NC(=O)CC(C)(C)C)C(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)[C@@H]1C ZINC001566108496 1269610285 /nfs/dbraw/zinc/61/02/85/1269610285.db2.gz BBSZGAVLYCCUKC-MCIONIFRSA-N 1 2 365.478 0.146 10 30 FCEELO C[C@@H](NC(=O)CC(C)(C)C)C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)[C@@H]1C ZINC001566108496 1269610291 /nfs/dbraw/zinc/61/02/91/1269610291.db2.gz BBSZGAVLYCCUKC-MCIONIFRSA-N 1 2 365.478 0.146 10 30 FCEELO C[C@H](NC(=O)CC(C)(C)C)C(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)[C@@H]1C ZINC001566108497 1269610412 /nfs/dbraw/zinc/61/04/12/1269610412.db2.gz BBSZGAVLYCCUKC-MJBXVCDLSA-N 1 2 365.478 0.146 10 30 FCEELO C[C@H](NC(=O)CC(C)(C)C)C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)[C@@H]1C ZINC001566108497 1269610417 /nfs/dbraw/zinc/61/04/17/1269610417.db2.gz BBSZGAVLYCCUKC-MJBXVCDLSA-N 1 2 365.478 0.146 10 30 FCEELO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001566753535 1269661892 /nfs/dbraw/zinc/66/18/92/1269661892.db2.gz OWDDLBVIBANRAH-FUWXOQDFSA-N 1 2 359.470 0.776 10 30 FCEELO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001566753535 1269661898 /nfs/dbraw/zinc/66/18/98/1269661898.db2.gz OWDDLBVIBANRAH-FUWXOQDFSA-N 1 2 359.470 0.776 10 30 FCEELO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[N@@H+](C)CC1(CS(C)(=O)=O)CC1 ZINC001567308109 1269687533 /nfs/dbraw/zinc/68/75/33/1269687533.db2.gz RZKOEVSIZBATIX-GJZGRUSLSA-N 1 2 358.504 0.840 10 30 FCEELO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[N@H+](C)CC1(CS(C)(=O)=O)CC1 ZINC001567308109 1269687543 /nfs/dbraw/zinc/68/75/43/1269687543.db2.gz RZKOEVSIZBATIX-GJZGRUSLSA-N 1 2 358.504 0.840 10 30 FCEELO C=C[C@](C)(CCOC)C(=O)N1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](OC)C1 ZINC001342954883 1269699165 /nfs/dbraw/zinc/69/91/65/1269699165.db2.gz APOHWHXAJJFGAT-IIDMSEBBSA-N 1 2 364.446 0.454 10 30 FCEELO CO[C@@H]1CN(C(=O)CSCC#N)C[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001342956269 1269700864 /nfs/dbraw/zinc/70/08/64/1269700864.db2.gz UIVRGOILLIGZHE-ZIAGYGMSSA-N 1 2 365.459 0.262 10 30 FCEELO C#CC[NH+]1CCN(c2nnc([C@]3(C)CCC(=O)NC3)n2CC(=C)C)CC1 ZINC001342964992 1269703950 /nfs/dbraw/zinc/70/39/50/1269703950.db2.gz HAVXNPJPCLQJBU-LJQANCHMSA-N 1 2 356.474 0.777 10 30 FCEELO C#CC[NH+]1CCN(c2nnc([C@](C)(O)COC)n2C[C@@H]2CCCO2)CC1 ZINC001343221211 1269818348 /nfs/dbraw/zinc/81/83/48/1269818348.db2.gz KXPKSSMGBWCVPO-MAUKXSAKSA-N 1 2 363.462 0.066 10 30 FCEELO C=CCOCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)CO2 ZINC001570246329 1269856481 /nfs/dbraw/zinc/85/64/81/1269856481.db2.gz YHHAIYRRNGWVPT-IXDOHACOSA-N 1 2 360.458 0.686 10 30 FCEELO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@](CO)([NH2+]Cc2ncccn2)C1 ZINC001570292170 1269866442 /nfs/dbraw/zinc/86/64/42/1269866442.db2.gz ATYIEQZHJWHCHC-IEZWGBDMSA-N 1 2 360.458 0.901 10 30 FCEELO C=C(C)Cn1c(N(C)CCCC(=O)NC)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001343404042 1269899301 /nfs/dbraw/zinc/89/93/01/1269899301.db2.gz IQBCVHCYHZFBHX-KBXCAEBGSA-N 1 2 364.494 0.728 10 30 FCEELO C=C(C)Cn1c(N(C)CCCC(=O)NC)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001343404042 1269899313 /nfs/dbraw/zinc/89/93/13/1269899313.db2.gz IQBCVHCYHZFBHX-KBXCAEBGSA-N 1 2 364.494 0.728 10 30 FCEELO C=CCCC(=O)N[C@H](C)CN(C)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001572287032 1270023721 /nfs/dbraw/zinc/02/37/21/1270023721.db2.gz NJRAMEHWIKPXNX-ZACQAIPSSA-N 1 2 367.490 0.796 10 30 FCEELO C=CCOCC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001343895117 1270043356 /nfs/dbraw/zinc/04/33/56/1270043356.db2.gz KZWXPGZXBNJXDB-BFYDXBDKSA-N 1 2 358.442 0.707 10 30 FCEELO CCO[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1CNC(=O)C#CC1CC1 ZINC001344408917 1270173224 /nfs/dbraw/zinc/17/32/24/1270173224.db2.gz FFUDURQVMRFKJU-YFHUEUNASA-N 1 2 370.453 0.906 10 30 FCEELO CCO[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1CNC(=O)C#CC1CC1 ZINC001344408917 1270173230 /nfs/dbraw/zinc/17/32/30/1270173230.db2.gz FFUDURQVMRFKJU-YFHUEUNASA-N 1 2 370.453 0.906 10 30 FCEELO C#CCC1(C(=O)N[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2O)CCCCC1 ZINC001572829457 1270210893 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N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000278879995 488902556 /nfs/dbraw/zinc/90/25/56/488902556.db2.gz NATMBNGNFGIOCB-LJQANCHMSA-N 1 2 364.409 0.894 10 30 FCEELO CCc1nn(C)c(OC)c1CNC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000328852422 488943549 /nfs/dbraw/zinc/94/35/49/488943549.db2.gz BUDRKGQAFYGWID-GJZGRUSLSA-N 1 2 351.451 0.810 10 30 FCEELO CCc1nn(C)c(OC)c1CNC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000328852422 488943553 /nfs/dbraw/zinc/94/35/53/488943553.db2.gz BUDRKGQAFYGWID-GJZGRUSLSA-N 1 2 351.451 0.810 10 30 FCEELO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029451477 487724734 /nfs/dbraw/zinc/72/47/34/487724734.db2.gz DHDNZSBZBBPVSH-AWEZNQCLSA-N 1 2 370.457 0.201 10 30 FCEELO C=CCNC(=O)C[NH+](CC(=O)NCC=C)C1CCN(c2ncccn2)CC1 ZINC000047045463 488009856 /nfs/dbraw/zinc/00/98/56/488009856.db2.gz OIVDRZNPUZAVLD-UHFFFAOYSA-N 1 2 372.473 0.352 10 30 FCEELO C=CCNC(=O)C[NH+]1CCN(Cc2nnnn2-c2c(C)cccc2C)CC1 ZINC000060466404 488290146 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10 30 FCEELO C=CCNC(=O)CN1CCN(C(=O)NCc2cn3ccccc3[nH+]2)CC1 ZINC000114914387 488542656 /nfs/dbraw/zinc/54/26/56/488542656.db2.gz VBSLYEHRQNJIOG-UHFFFAOYSA-N 1 2 356.430 0.464 10 30 FCEELO COCC[N@@H+]1CCN(CCS(=O)(=O)c2cccc(C#N)c2)C[C@@H]1C ZINC000128619243 488625857 /nfs/dbraw/zinc/62/58/57/488625857.db2.gz NITVUDKUFGMESC-HNNXBMFYSA-N 1 2 351.472 0.984 10 30 FCEELO COCC[N@H+]1CCN(CCS(=O)(=O)c2cccc(C#N)c2)C[C@@H]1C ZINC000128619243 488625859 /nfs/dbraw/zinc/62/58/59/488625859.db2.gz NITVUDKUFGMESC-HNNXBMFYSA-N 1 2 351.472 0.984 10 30 FCEELO CC(C)C[C@H](CNS(=O)(=O)c1ccc(C#N)nc1)[NH+]1CCOCC1 ZINC000170658215 488814937 /nfs/dbraw/zinc/81/49/37/488814937.db2.gz FTJUWADVGVOKDU-OAHLLOKOSA-N 1 2 352.460 0.978 10 30 FCEELO C[C@@H](O)C[N@@H+]1CCN(CCS(=O)(=O)c2ccc(C#N)cc2)C[C@H]1C ZINC000176232414 488857900 /nfs/dbraw/zinc/85/79/00/488857900.db2.gz XXXDZLNUEWSKDX-HUUCEWRRSA-N 1 2 351.472 0.719 10 30 FCEELO C[C@@H](O)C[N@H+]1CCN(CCS(=O)(=O)c2ccc(C#N)cc2)C[C@H]1C ZINC000176232414 488857901 /nfs/dbraw/zinc/85/79/01/488857901.db2.gz XXXDZLNUEWSKDX-HUUCEWRRSA-N 1 2 351.472 0.719 10 30 FCEELO Cn1cc(C#N)cc1C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000177795437 488859757 /nfs/dbraw/zinc/85/97/57/488859757.db2.gz BTHULXFTXCCYEX-UHFFFAOYSA-N 1 2 350.386 0.536 10 30 FCEELO C=CCCCNC(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000288485980 488985287 /nfs/dbraw/zinc/98/52/87/488985287.db2.gz CKNOKBKCVHALQB-UHFFFAOYSA-N 1 2 357.418 0.094 10 30 FCEELO CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000329744421 489032266 /nfs/dbraw/zinc/03/22/66/489032266.db2.gz QRQYLSZZFRHVEV-XEZPLFJOSA-N 1 2 361.446 0.893 10 30 FCEELO CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000329744421 489032269 /nfs/dbraw/zinc/03/22/69/489032269.db2.gz QRQYLSZZFRHVEV-XEZPLFJOSA-N 1 2 361.446 0.893 10 30 FCEELO CN(C)c1[nH+]cccc1CNC(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000330472025 489105960 /nfs/dbraw/zinc/10/59/60/489105960.db2.gz YDXQDXFKJZWARA-ZDUSSCGKSA-N 1 2 369.491 0.823 10 30 FCEELO CCNC(=O)NC(=O)CN1CC[NH+]([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000330592377 489121267 /nfs/dbraw/zinc/12/12/67/489121267.db2.gz OZRMLKNMIHWLTF-ZDUSSCGKSA-N 1 2 353.467 0.101 10 30 FCEELO CS(=O)(=O)CC[C@@H]1CCCC[N@@H+]1CC(=O)N(CCC#N)CCC#N ZINC000368320226 489218025 /nfs/dbraw/zinc/21/80/25/489218025.db2.gz AWALTNSBMWJLNQ-HNNXBMFYSA-N 1 2 354.476 0.932 10 30 FCEELO CS(=O)(=O)CC[C@@H]1CCCC[N@H+]1CC(=O)N(CCC#N)CCC#N ZINC000368320226 489218027 /nfs/dbraw/zinc/21/80/27/489218027.db2.gz AWALTNSBMWJLNQ-HNNXBMFYSA-N 1 2 354.476 0.932 10 30 FCEELO C=CCCCN(C)C(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000297844879 489250679 /nfs/dbraw/zinc/25/06/79/489250679.db2.gz OBOAADCYIAITRK-UHFFFAOYSA-N 1 2 371.445 0.437 10 30 FCEELO N#Cc1ccc(O[C@H]2CCN(C(=O)C(=O)N3CC[NH+](C4CC4)CC3)C2)nc1 ZINC000297932435 489265138 /nfs/dbraw/zinc/26/51/38/489265138.db2.gz CTHCBPOFYALBTH-INIZCTEOSA-N 1 2 369.425 0.240 10 30 FCEELO C=CCOC[C@H]1NC(=O)N([C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)C1=O ZINC000348609835 489275805 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0.809 10 30 FCEELO COC(=O)CN(CC[NH+]1CCOCC1)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459360352 489728908 /nfs/dbraw/zinc/72/89/08/489728908.db2.gz FODPUFOWLYPKAN-UHFFFAOYSA-N 1 2 362.386 0.774 10 30 FCEELO N#Cc1ccc(OCCNC(=O)N(CCO)CC[NH+]2CCOCC2)cc1 ZINC000491323143 489800365 /nfs/dbraw/zinc/80/03/65/489800365.db2.gz MEBGBSOFEZBOBH-UHFFFAOYSA-N 1 2 362.430 0.273 10 30 FCEELO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)Cc2ccc(C#N)cc2F)[C@@H](C)C1 ZINC000433371700 489879879 /nfs/dbraw/zinc/87/98/79/489879879.db2.gz MUMHWEPZNIOLGY-STQMWFEESA-N 1 2 355.435 0.914 10 30 FCEELO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)Cc2ccc(C#N)cc2F)[C@@H](C)C1 ZINC000433371700 489879883 /nfs/dbraw/zinc/87/98/83/489879883.db2.gz MUMHWEPZNIOLGY-STQMWFEESA-N 1 2 355.435 0.914 10 30 FCEELO N#Cc1ccc(CN2C(=O)C(=O)N(CCC[NH+]3CCOCC3)C2=O)cc1F ZINC000478722482 490033864 /nfs/dbraw/zinc/03/38/64/490033864.db2.gz UOTPLSMVXDETOE-UHFFFAOYSA-N 1 2 374.372 0.710 10 30 FCEELO Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)CC1 ZINC000440207844 490046651 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FCEELO C=CCNC(=O)CNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000537416237 490676534 /nfs/dbraw/zinc/67/65/34/490676534.db2.gz HTPWROFBXLVDNV-ZIAGYGMSSA-N 1 2 361.446 0.797 10 30 FCEELO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CC[C@](O)(C(N)=O)C2)c1C#N ZINC000502881927 490727433 /nfs/dbraw/zinc/72/74/33/490727433.db2.gz VBBWBQLHFDZZRK-LJQANCHMSA-N 1 2 373.457 0.952 10 30 FCEELO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CC[C@](O)(C(N)=O)C2)c1C#N ZINC000502881927 490727436 /nfs/dbraw/zinc/72/74/36/490727436.db2.gz VBBWBQLHFDZZRK-LJQANCHMSA-N 1 2 373.457 0.952 10 30 FCEELO N#CC1(C[C@H](O)C[NH+]2CCN(S(=O)(=O)Cc3ccon3)CC2)CC1 ZINC000528388570 490793382 /nfs/dbraw/zinc/79/33/82/490793382.db2.gz JIYMBRQKILCZQC-AWEZNQCLSA-N 1 2 354.432 0.177 10 30 FCEELO CNC(=O)NC[C@@H]1C[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)CCO1 ZINC000528623741 490814570 /nfs/dbraw/zinc/81/45/70/490814570.db2.gz SMAAQCLWWGOGGL-DOTOQJQBSA-N 1 2 362.430 0.122 10 30 FCEELO CNC(=O)NC[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)CCO1 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