smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCN1C(=O)C(=O)N(CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1=O ZINC000735425707 944648362 /nfs/dbraw/zinc/64/83/62/944648362.db2.gz DUKFGGXVOQXNSR-UHFFFAOYSA-N 0 0 398.339 -1.396 20 50 GAGDRN CC(=O)NCCNC(=O)CCC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000735474997 944664564 /nfs/dbraw/zinc/66/45/64/944664564.db2.gz SCEIUGPMIYVIMP-UHFFFAOYSA-N 0 0 388.388 -1.340 20 50 GAGDRN CC(=O)NCCNC(=O)CCC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000735475524 944664753 /nfs/dbraw/zinc/66/47/53/944664753.db2.gz WSGHPGRIVWCSCE-UHFFFAOYSA-N 0 0 388.388 -1.340 20 50 GAGDRN CC(C)(NS(C)(=O)=O)C(=O)NNC(=O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000735678793 944688349 /nfs/dbraw/zinc/68/83/49/944688349.db2.gz WLOJBZZORDWKDG-UHFFFAOYSA-N 0 0 397.417 -1.279 20 50 GAGDRN C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000736129645 944748153 /nfs/dbraw/zinc/74/81/53/944748153.db2.gz HSSBQDQEBQNYAA-MRVPVSSYSA-N 0 0 383.390 -1.669 20 50 GAGDRN C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000736129646 944747197 /nfs/dbraw/zinc/74/71/97/944747197.db2.gz HSSBQDQEBQNYAA-QMMMGPOBSA-N 0 0 383.390 -1.669 20 50 GAGDRN C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000736129655 944747779 /nfs/dbraw/zinc/74/77/79/944747779.db2.gz IHFJPZVYSYTWHK-MRVPVSSYSA-N 0 0 377.390 -1.098 20 50 GAGDRN C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000736129656 944747685 /nfs/dbraw/zinc/74/76/85/944747685.db2.gz IHFJPZVYSYTWHK-QMMMGPOBSA-N 0 0 377.390 -1.098 20 50 GAGDRN C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H](C)Oc1ccc(-c2nn[nH]n2)cc1 ZINC000736130340 944747224 /nfs/dbraw/zinc/74/72/24/944747224.db2.gz LVNGXZGCVNXKHF-BDAKNGLRSA-N 0 0 397.417 -1.281 20 50 GAGDRN C[C@@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O ZINC000736130342 944747796 /nfs/dbraw/zinc/74/77/96/944747796.db2.gz LVNGXZGCVNXKHF-DTWKUNHWSA-N 0 0 397.417 -1.281 20 50 GAGDRN C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H](C)Oc1ccc(-c2nn[nH]n2)cc1 ZINC000736130344 944748266 /nfs/dbraw/zinc/74/82/66/944748266.db2.gz LVNGXZGCVNXKHF-IUCAKERBSA-N 0 0 397.417 -1.281 20 50 GAGDRN C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H](C)Oc1ccc(-c2nn[nH]n2)cc1 ZINC000736130346 944748200 /nfs/dbraw/zinc/74/82/00/944748200.db2.gz LVNGXZGCVNXKHF-RKDXNWHRSA-N 0 0 397.417 -1.281 20 50 GAGDRN CCN1CCN(CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C(=O)C1=O ZINC000736568269 944843721 /nfs/dbraw/zinc/84/37/21/944843721.db2.gz CSYASHTUOATARQ-UHFFFAOYSA-N 0 0 386.372 -1.682 20 50 GAGDRN CCNS(=O)(=O)CCNC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736577184 944846467 /nfs/dbraw/zinc/84/64/67/944846467.db2.gz DGXZBBKVKLKPDW-UHFFFAOYSA-N 0 0 382.406 -1.250 20 50 GAGDRN CCNS(=O)(=O)CCNC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000736578064 944847420 /nfs/dbraw/zinc/84/74/20/944847420.db2.gz QTBJOFNXZSVUST-UHFFFAOYSA-N 0 0 382.406 -1.250 20 50 GAGDRN CCS(=O)(=O)NCCNC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000736666418 944865985 /nfs/dbraw/zinc/86/59/85/944865985.db2.gz ZMFKIUIGRUABAH-UHFFFAOYSA-N 0 0 382.406 -1.250 20 50 GAGDRN CN(C)CC(=O)NNC(=O)CS(=O)(=O)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000736765514 944887094 /nfs/dbraw/zinc/88/70/94/944887094.db2.gz XNPCVFDJBSMGTI-UHFFFAOYSA-N 0 0 381.418 -1.510 20 50 GAGDRN CN(CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000736784511 944891512 /nfs/dbraw/zinc/89/15/12/944891512.db2.gz SJSDGBSXRDASJK-GFCCVEGCSA-N 0 0 393.429 -1.253 20 50 GAGDRN CN(CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000736784512 944891060 /nfs/dbraw/zinc/89/10/60/944891060.db2.gz SJSDGBSXRDASJK-LBPRGKRZSA-N 0 0 393.429 -1.253 20 50 GAGDRN CN1CCO[C@H](CNC(=O)NNC(=O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736867734 944902733 /nfs/dbraw/zinc/90/27/33/944902733.db2.gz MYWVPJCXTFUZPT-CYBMUJFWSA-N 0 0 390.404 -1.094 20 50 GAGDRN CN1CCO[C@@H](CNC(=O)NNC(=O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736867736 944902929 /nfs/dbraw/zinc/90/29/29/944902929.db2.gz MYWVPJCXTFUZPT-ZDUSSCGKSA-N 0 0 390.404 -1.094 20 50 GAGDRN CN1CCO[C@H](CNC(=O)NNC(=O)COc2ccccc2-c2nn[nH]n2)C1 ZINC000736868178 944903457 /nfs/dbraw/zinc/90/34/57/944903457.db2.gz QIDKDJKBTCYGFO-LLVKDONJSA-N 0 0 390.404 -1.094 20 50 GAGDRN CN1CCO[C@@H](CNC(=O)NNC(=O)COc2ccccc2-c2nn[nH]n2)C1 ZINC000736868179 944903228 /nfs/dbraw/zinc/90/32/28/944903228.db2.gz QIDKDJKBTCYGFO-NSHDSACASA-N 0 0 390.404 -1.094 20 50 GAGDRN COCCCNC(=O)NNC(=O)CNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736985430 944926001 /nfs/dbraw/zinc/92/60/01/944926001.db2.gz FPOMVNDOXYWHQX-UHFFFAOYSA-N 0 0 376.377 -1.037 20 50 GAGDRN CS(=O)(=O)CCNC(=O)NNC(=O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000737161936 944972429 /nfs/dbraw/zinc/97/24/29/944972429.db2.gz FSSWQBJUAXKHHF-UHFFFAOYSA-N 0 0 383.390 -1.380 20 50 GAGDRN CS(=O)(=O)CCNC(=S)NNC(=O)COc1ccccc1-c1nn[nH]n1 ZINC000737161965 944972055 /nfs/dbraw/zinc/97/20/55/944972055.db2.gz GBLODRCUMHTHAF-UHFFFAOYSA-N 0 0 399.458 -1.215 20 50 GAGDRN CS(=O)(=O)CCNC(=S)NNC(=O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000737162472 944973167 /nfs/dbraw/zinc/97/31/67/944973167.db2.gz KVLJMLGIWGDJCO-UHFFFAOYSA-N 0 0 399.458 -1.215 20 50 GAGDRN CS(=O)(=O)CCNC(=O)NNC(=O)COc1ccccc1-c1nn[nH]n1 ZINC000737163484 944974254 /nfs/dbraw/zinc/97/42/54/944974254.db2.gz WFTKZRKVVLDPBG-UHFFFAOYSA-N 0 0 383.390 -1.380 20 50 GAGDRN CS(=O)(=O)N[C@@H]1CCN(C(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000737164881 944975235 /nfs/dbraw/zinc/97/52/35/944975235.db2.gz CRCCNTRFSZCNIN-LLVKDONJSA-N 0 0 394.417 -1.155 20 50 GAGDRN CS(=O)(=O)N[C@H]1CCN(C(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000737164883 944974465 /nfs/dbraw/zinc/97/44/65/944974465.db2.gz CRCCNTRFSZCNIN-NSHDSACASA-N 0 0 394.417 -1.155 20 50 GAGDRN CS(=O)(=O)N[C@@H]1CCN(C(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737165743 944973844 /nfs/dbraw/zinc/97/38/44/944973844.db2.gz NDVFFPOGCCOUTI-LLVKDONJSA-N 0 0 394.417 -1.155 20 50 GAGDRN CS(=O)(=O)N[C@H]1CCN(C(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737165744 944974496 /nfs/dbraw/zinc/97/44/96/944974496.db2.gz NDVFFPOGCCOUTI-NSHDSACASA-N 0 0 394.417 -1.155 20 50 GAGDRN CS(=O)(=O)NCCNC(=S)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000737168851 944975296 /nfs/dbraw/zinc/97/52/96/944975296.db2.gz LILRAOLSSBVHDJ-UHFFFAOYSA-N 0 0 384.447 -1.475 20 50 GAGDRN CS(=O)(=O)NCCNC(=S)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000737169180 944973999 /nfs/dbraw/zinc/97/39/99/944973999.db2.gz OZWTUFYUUJFYSZ-UHFFFAOYSA-N 0 0 384.447 -1.475 20 50 GAGDRN Cn1cc(/C=C\C(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)c(=O)n(C)c1=O ZINC000737605971 945101788 /nfs/dbraw/zinc/10/17/88/945101788.db2.gz YFKWXWHEJMZSMM-SREVYHEPSA-N 0 0 396.367 -1.262 20 50 GAGDRN Cn1cc(/C=C/C(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)c(=O)n(C)c1=O ZINC000737605977 945101984 /nfs/dbraw/zinc/10/19/84/945101984.db2.gz YFKWXWHEJMZSMM-VOTSOKGWSA-N 0 0 396.367 -1.262 20 50 GAGDRN Cn1cc(S(N)(=O)=O)cc1C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000737609779 945101581 /nfs/dbraw/zinc/10/15/81/945101581.db2.gz JFRRUVORVQKNTB-UHFFFAOYSA-N 0 0 390.385 -1.073 20 50 GAGDRN Cn1ncc2c1ncn(CC(=O)NNC(=O)c1cccc(-c3nn[nH]n3)c1)c2=O ZINC000737626919 945103822 /nfs/dbraw/zinc/10/38/22/945103822.db2.gz FZSFIUUMRCEJDI-UHFFFAOYSA-N 0 0 394.355 -1.229 20 50 GAGDRN NS(=O)(=O)N1CCC(C(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000737765215 945123000 /nfs/dbraw/zinc/12/30/00/945123000.db2.gz ODBHPZGJFYBRJQ-UHFFFAOYSA-N 0 0 394.417 -1.457 20 50 GAGDRN NS(=O)(=O)c1cnn(CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000737769907 945122607 /nfs/dbraw/zinc/12/26/07/945122607.db2.gz QMYKTCDSFLDSMJ-UHFFFAOYSA-N 0 0 391.373 -1.828 20 50 GAGDRN O=C(CCN1C(=O)CCC1=O)NNC(=O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000737837554 945137072 /nfs/dbraw/zinc/13/70/72/945137072.db2.gz IIIUGQOOINVJPU-UHFFFAOYSA-N 0 0 387.356 -1.068 20 50 GAGDRN O=C(CN1CCS(=O)(=O)CC1)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000737885144 945144989 /nfs/dbraw/zinc/14/49/89/945144989.db2.gz UDRHYBMNGAWBMN-UHFFFAOYSA-N 0 0 379.402 -1.642 20 50 GAGDRN O=C(CNC(=O)c1ccc(-c2nn[nH]n2)cc1)NNC(=O)C(=O)N1CCCC1 ZINC000737889146 945144832 /nfs/dbraw/zinc/14/48/32/945144832.db2.gz KKFSQPDLXZEWSP-UHFFFAOYSA-N 0 0 386.372 -1.634 20 50 GAGDRN O=C(CNc1ccc(-c2nn[nH]n2)cc1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000737893650 945146370 /nfs/dbraw/zinc/14/63/70/945146370.db2.gz CSYXDTYISZMYBH-LLVKDONJSA-N 0 0 394.417 -1.204 20 50 GAGDRN O=C(CNc1ccc(-c2nn[nH]n2)cc1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000737893651 945146647 /nfs/dbraw/zinc/14/66/47/945146647.db2.gz CSYXDTYISZMYBH-NSHDSACASA-N 0 0 394.417 -1.204 20 50 GAGDRN O=C(CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)NNC(=O)c1ccc[nH]1 ZINC000737895070 945148649 /nfs/dbraw/zinc/14/86/49/945148649.db2.gz KPTFGBCHJSBMBH-UHFFFAOYSA-N 0 0 390.385 -1.066 20 50 GAGDRN O=C(CNc1ccc(-c2nn[nH]n2)cc1)NNC(=O)[C@H]1CCS(=O)(=O)C1 ZINC000737895842 945148206 /nfs/dbraw/zinc/14/82/06/945148206.db2.gz RTGXYXLMCCPFST-JTQLQIEISA-N 0 0 379.402 -1.139 20 50 GAGDRN O=C(CNc1ccc(-c2nn[nH]n2)cc1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000737895843 945149000 /nfs/dbraw/zinc/14/90/00/945149000.db2.gz RTGXYXLMCCPFST-SNVBAGLBSA-N 0 0 379.402 -1.139 20 50 GAGDRN O=C(COc1ccc(-c2nn[nH]n2)cc1)NNC(=O)CN1CCC(=O)NC1=O ZINC000737918365 945150012 /nfs/dbraw/zinc/15/00/12/945150012.db2.gz CBEONUCQUOOTFT-UHFFFAOYSA-N 0 0 388.344 -1.665 20 50 GAGDRN O=C(COc1ccc(-c2nn[nH]n2)cc1)NNC(=O)[C@H]1CCS(=O)(=O)C1 ZINC000737918469 945151844 /nfs/dbraw/zinc/15/18/44/945151844.db2.gz GIQHQCJRNZLURE-JTQLQIEISA-N 0 0 380.386 -1.172 20 50 GAGDRN O=C(COc1ccc(-c2nn[nH]n2)cc1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000737918470 945151685 /nfs/dbraw/zinc/15/16/85/945151685.db2.gz GIQHQCJRNZLURE-SNVBAGLBSA-N 0 0 380.386 -1.172 20 50 GAGDRN O=C(COc1ccccc1-c1nn[nH]n1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000737932271 945159893 /nfs/dbraw/zinc/15/98/93/945159893.db2.gz WGYYAXALQKHYMI-SECBINFHSA-N 0 0 380.386 -1.172 20 50 GAGDRN O=C(COc1ccccc1-c1nn[nH]n1)NNC(=O)[C@H]1CCS(=O)(=O)C1 ZINC000737932273 945160287 /nfs/dbraw/zinc/16/02/87/945160287.db2.gz WGYYAXALQKHYMI-VIFPVBQESA-N 0 0 380.386 -1.172 20 50 GAGDRN O=C(NCCN1CCCS1(=O)=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000738075452 945181267 /nfs/dbraw/zinc/18/12/67/945181267.db2.gz OAPVLAYPRWUTCK-UHFFFAOYSA-N 0 0 394.417 -1.154 20 50 GAGDRN O=C(COC(=O)C1=NNC(=O)CC1)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000738303011 945259250 /nfs/dbraw/zinc/25/92/50/945259250.db2.gz YQKOEDWARPTDTG-UHFFFAOYSA-N 0 0 386.328 -1.563 20 50 GAGDRN CC(=O)N(C)CC(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000819789503 945292537 /nfs/dbraw/zinc/29/25/37/945292537.db2.gz QXJMYBXTINAAKE-UHFFFAOYSA-N 0 0 375.345 -1.351 20 50 GAGDRN CC(=O)N(C)CC(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000819789797 945291858 /nfs/dbraw/zinc/29/18/58/945291858.db2.gz YDNMAFDCFHMXGW-UHFFFAOYSA-N 0 0 375.345 -1.351 20 50 GAGDRN C[C@H](C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)S(C)(=O)=O ZINC000819882487 945306835 /nfs/dbraw/zinc/30/68/35/945306835.db2.gz ANNDKPZJPOLPHL-MRVPVSSYSA-N 0 0 396.385 -1.396 20 50 GAGDRN C[C@@H](C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)S(C)(=O)=O ZINC000819882494 945305028 /nfs/dbraw/zinc/30/50/28/945305028.db2.gz ANNDKPZJPOLPHL-QMMMGPOBSA-N 0 0 396.385 -1.396 20 50 GAGDRN C[C@H](C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)S(C)(=O)=O ZINC000819884552 945308748 /nfs/dbraw/zinc/30/87/48/945308748.db2.gz XARGYSAIOJXPRL-MRVPVSSYSA-N 0 0 396.385 -1.396 20 50 GAGDRN C[C@@H](C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)S(C)(=O)=O ZINC000819884553 945308134 /nfs/dbraw/zinc/30/81/34/945308134.db2.gz XARGYSAIOJXPRL-QMMMGPOBSA-N 0 0 396.385 -1.396 20 50 GAGDRN C[C@@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)NNC(=O)CN(C)C ZINC000820445420 945451042 /nfs/dbraw/zinc/45/10/42/945451042.db2.gz PUFMUAWQTZSIAV-SECBINFHSA-N 0 0 396.433 -1.758 20 50 GAGDRN C[C@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)NNC(=O)CN(C)C ZINC000820445426 945451004 /nfs/dbraw/zinc/45/10/04/945451004.db2.gz PUFMUAWQTZSIAV-VIFPVBQESA-N 0 0 396.433 -1.758 20 50 GAGDRN C[C@@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)NNC(=O)N(C)C ZINC000820446611 945453190 /nfs/dbraw/zinc/45/31/90/945453190.db2.gz WHXJCTXSNWXPRI-MRVPVSSYSA-N 0 0 382.406 -1.164 20 50 GAGDRN C[C@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)NNC(=O)N(C)C ZINC000820446630 945452271 /nfs/dbraw/zinc/45/22/71/945452271.db2.gz WHXJCTXSNWXPRI-QMMMGPOBSA-N 0 0 382.406 -1.164 20 50 GAGDRN C[C@@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)NNC(=O)N(C)C ZINC000820449931 945453444 /nfs/dbraw/zinc/45/34/44/945453444.db2.gz DQPTZEUEFVOOJN-MRVPVSSYSA-N 0 0 382.406 -1.164 20 50 GAGDRN C[C@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)NNC(=O)N(C)C ZINC000820449932 945452837 /nfs/dbraw/zinc/45/28/37/945452837.db2.gz DQPTZEUEFVOOJN-QMMMGPOBSA-N 0 0 382.406 -1.164 20 50 GAGDRN C[C@@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)NNC(=O)CN(C)C ZINC000820450988 945453097 /nfs/dbraw/zinc/45/30/97/945453097.db2.gz QKSCTRIQIRAFEA-SECBINFHSA-N 0 0 396.433 -1.758 20 50 GAGDRN C[C@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)NNC(=O)CN(C)C ZINC000820450989 945452469 /nfs/dbraw/zinc/45/24/69/945452469.db2.gz QKSCTRIQIRAFEA-VIFPVBQESA-N 0 0 396.433 -1.758 20 50 GAGDRN C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)COc1ccccc1-c1nn[nH]n1 ZINC000820451723 945454938 /nfs/dbraw/zinc/45/49/38/945454938.db2.gz WZIBQLIGFVMFRD-MRVPVSSYSA-N 0 0 383.390 -1.669 20 50 GAGDRN C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)COc1ccccc1-c1nn[nH]n1 ZINC000820451735 945455814 /nfs/dbraw/zinc/45/58/14/945455814.db2.gz WZIBQLIGFVMFRD-QMMMGPOBSA-N 0 0 383.390 -1.669 20 50 GAGDRN C[C@@H](O)CN1CCN(CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000820480062 945460677 /nfs/dbraw/zinc/46/06/77/945460677.db2.gz FPPYCQVDSKRDGI-GFCCVEGCSA-N 0 0 388.432 -1.374 20 50 GAGDRN C[C@H](O)CN1CCN(CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000820480071 945459711 /nfs/dbraw/zinc/45/97/11/945459711.db2.gz FPPYCQVDSKRDGI-LBPRGKRZSA-N 0 0 388.432 -1.374 20 50 GAGDRN C[C@@H](O)CN1CCN(CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820480564 945459346 /nfs/dbraw/zinc/45/93/46/945459346.db2.gz MGVVWQHQNDHCFD-GFCCVEGCSA-N 0 0 388.432 -1.374 20 50 GAGDRN C[C@H](O)CN1CCN(CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820480565 945460740 /nfs/dbraw/zinc/46/07/40/945460740.db2.gz MGVVWQHQNDHCFD-LBPRGKRZSA-N 0 0 388.432 -1.374 20 50 GAGDRN C[C@@H](O)c1cn(CC(=O)NNC(=O)COc2ccc(-c3nn[nH]n3)cc2)nn1 ZINC000820480752 945459982 /nfs/dbraw/zinc/45/99/82/945459982.db2.gz OHUFEAFEZIXNLK-SECBINFHSA-N 0 0 387.360 -1.262 20 50 GAGDRN C[C@H](O)c1cn(CC(=O)NNC(=O)COc2ccc(-c3nn[nH]n3)cc2)nn1 ZINC000820480753 945460355 /nfs/dbraw/zinc/46/03/55/945460355.db2.gz OHUFEAFEZIXNLK-VIFPVBQESA-N 0 0 387.360 -1.262 20 50 GAGDRN C[C@H]1CN(CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)CCS1(=O)=O ZINC000820752004 945548824 /nfs/dbraw/zinc/54/88/24/945548824.db2.gz JPJLCHCXHTWCTO-JTQLQIEISA-N 0 0 393.429 -1.253 20 50 GAGDRN C[C@@H]1CN(CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)CCS1(=O)=O ZINC000820752007 945549227 /nfs/dbraw/zinc/54/92/27/945549227.db2.gz JPJLCHCXHTWCTO-SNVBAGLBSA-N 0 0 393.429 -1.253 20 50 GAGDRN C[C@H]1CN(CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CCS1(=O)=O ZINC000820752913 945550446 /nfs/dbraw/zinc/55/04/46/945550446.db2.gz UBMKNZVNZUWHKB-JTQLQIEISA-N 0 0 393.429 -1.253 20 50 GAGDRN C[C@@H]1CN(CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CCS1(=O)=O ZINC000820752914 945552122 /nfs/dbraw/zinc/55/21/22/945552122.db2.gz UBMKNZVNZUWHKB-SNVBAGLBSA-N 0 0 393.429 -1.253 20 50 GAGDRN C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CCN1CC(=O)NNC(=O)C1CC1 ZINC000820789025 945558595 /nfs/dbraw/zinc/55/85/95/945558595.db2.gz UBIGZQPXBHFHEN-JTQLQIEISA-N 0 0 386.420 -1.275 20 50 GAGDRN C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CCN1CC(=O)NNC(=O)C1CC1 ZINC000820789026 945557929 /nfs/dbraw/zinc/55/79/29/945557929.db2.gz UBIGZQPXBHFHEN-SNVBAGLBSA-N 0 0 386.420 -1.275 20 50 GAGDRN CCNC(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000821293236 945665165 /nfs/dbraw/zinc/66/51/65/945665165.db2.gz ISLGJAFTNGBGBP-MRVPVSSYSA-N 0 0 382.406 -1.116 20 50 GAGDRN CCNC(=O)NNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000821293240 945664000 /nfs/dbraw/zinc/66/40/00/945664000.db2.gz ISLGJAFTNGBGBP-QMMMGPOBSA-N 0 0 382.406 -1.116 20 50 GAGDRN CCNC(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821294697 945665913 /nfs/dbraw/zinc/66/59/13/945665913.db2.gz XLHVWTFNPTXSSQ-MRVPVSSYSA-N 0 0 382.406 -1.116 20 50 GAGDRN CCNC(=O)NNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821294699 945666223 /nfs/dbraw/zinc/66/62/23/945666223.db2.gz XLHVWTFNPTXSSQ-QMMMGPOBSA-N 0 0 382.406 -1.116 20 50 GAGDRN CCOCCS(=O)(=O)NCC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821383331 945685901 /nfs/dbraw/zinc/68/59/01/945685901.db2.gz DDPVEDOHZFMQKH-UHFFFAOYSA-N 0 0 397.417 -1.416 20 50 GAGDRN CCOCCS(=O)(=O)NCC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000821384523 945687149 /nfs/dbraw/zinc/68/71/49/945687149.db2.gz YQQFMKOSACVDCO-UHFFFAOYSA-N 0 0 397.417 -1.416 20 50 GAGDRN CCS(=O)(=O)CC(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000821442366 945696994 /nfs/dbraw/zinc/69/69/94/945696994.db2.gz RBGYESFRGTYQTB-UHFFFAOYSA-N 0 0 396.385 -1.394 20 50 GAGDRN CCS(=O)(=O)CC(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821442904 945698609 /nfs/dbraw/zinc/69/86/09/945698609.db2.gz XAXUCYHUFSUQPH-UHFFFAOYSA-N 0 0 396.385 -1.394 20 50 GAGDRN CN(CCN1CCOCC1)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000821602711 945737940 /nfs/dbraw/zinc/73/79/40/945737940.db2.gz PRDILKONLJWOAK-UHFFFAOYSA-N 0 0 388.432 -1.108 20 50 GAGDRN CN(CCN1CCOCC1)CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821602723 945737792 /nfs/dbraw/zinc/73/77/92/945737792.db2.gz QCRFAZSIUBKQJY-UHFFFAOYSA-N 0 0 388.432 -1.108 20 50 GAGDRN CN(CCS(C)(=O)=O)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000821604978 945739854 /nfs/dbraw/zinc/73/98/54/945739854.db2.gz PNSJPNUQKXRMHR-UHFFFAOYSA-N 0 0 381.418 -1.396 20 50 GAGDRN CN(CCS(C)(=O)=O)CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821605219 945740823 /nfs/dbraw/zinc/74/08/23/945740823.db2.gz ZUFNYICVAVOMDI-UHFFFAOYSA-N 0 0 381.418 -1.396 20 50 GAGDRN CN1C[C@H](C(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)CC1=O ZINC000821620468 945748549 /nfs/dbraw/zinc/74/85/49/945748549.db2.gz KKMQRPPBFNGUHS-LLVKDONJSA-N 0 0 387.356 -1.351 20 50 GAGDRN CN1C[C@@H](C(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)CC1=O ZINC000821620469 945748622 /nfs/dbraw/zinc/74/86/22/945748622.db2.gz KKMQRPPBFNGUHS-NSHDSACASA-N 0 0 387.356 -1.351 20 50 GAGDRN CN1C[C@H](C(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CC1=O ZINC000821620898 945750964 /nfs/dbraw/zinc/75/09/64/945750964.db2.gz ZDJWQHOVLCUWIE-LLVKDONJSA-N 0 0 387.356 -1.351 20 50 GAGDRN CN1C[C@@H](C(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CC1=O ZINC000821620899 945750408 /nfs/dbraw/zinc/75/04/08/945750408.db2.gz ZDJWQHOVLCUWIE-NSHDSACASA-N 0 0 387.356 -1.351 20 50 GAGDRN CN1CCO[C@H]2CN(CC(=O)NNC(=O)c3cccc(-c4nn[nH]n4)c3)C[C@@H]21 ZINC000821628153 945756293 /nfs/dbraw/zinc/75/62/93/945756293.db2.gz BKWNSOAZSDZRPZ-KBPBESRZSA-N 0 0 386.416 -1.358 20 50 GAGDRN CN1CCO[C@H]2CN(CC(=O)NNC(=O)c3cccc(-c4nn[nH]n4)c3)C[C@H]21 ZINC000821628154 945755936 /nfs/dbraw/zinc/75/59/36/945755936.db2.gz BKWNSOAZSDZRPZ-KGLIPLIRSA-N 0 0 386.416 -1.358 20 50 GAGDRN CN1CCO[C@@H]2CN(CC(=O)NNC(=O)c3cccc(-c4nn[nH]n4)c3)C[C@@H]21 ZINC000821628155 945755585 /nfs/dbraw/zinc/75/55/85/945755585.db2.gz BKWNSOAZSDZRPZ-UONOGXRCSA-N 0 0 386.416 -1.358 20 50 GAGDRN CN1CCO[C@@H]2CN(CC(=O)NNC(=O)c3cccc(-c4nn[nH]n4)c3)C[C@H]21 ZINC000821628156 945755082 /nfs/dbraw/zinc/75/50/82/945755082.db2.gz BKWNSOAZSDZRPZ-ZIAGYGMSSA-N 0 0 386.416 -1.358 20 50 GAGDRN CN(CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)C[C@@H]1CN(C)CCO1 ZINC000821628268 945756467 /nfs/dbraw/zinc/75/64/67/945756467.db2.gz DVCNNXYFZHIKDT-AWEZNQCLSA-N 0 0 388.432 -1.110 20 50 GAGDRN CN(CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)C[C@H]1CN(C)CCO1 ZINC000821628269 945754664 /nfs/dbraw/zinc/75/46/64/945754664.db2.gz DVCNNXYFZHIKDT-CQSZACIVSA-N 0 0 388.432 -1.110 20 50 GAGDRN CN(CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)C[C@@H]1CN(C)CCO1 ZINC000821628639 945756484 /nfs/dbraw/zinc/75/64/84/945756484.db2.gz NGVVPKZJOACPQN-AWEZNQCLSA-N 0 0 388.432 -1.110 20 50 GAGDRN CN(CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)C[C@H]1CN(C)CCO1 ZINC000821628640 945755499 /nfs/dbraw/zinc/75/54/99/945755499.db2.gz NGVVPKZJOACPQN-CQSZACIVSA-N 0 0 388.432 -1.110 20 50 GAGDRN CN1CCO[C@H]2CN(CC(=O)NNC(=O)c3ccc(-c4nn[nH]n4)cc3)C[C@@H]21 ZINC000821628767 945755282 /nfs/dbraw/zinc/75/52/82/945755282.db2.gz PWDKNCJDVTYKEZ-KBPBESRZSA-N 0 0 386.416 -1.358 20 50 GAGDRN CN1CCO[C@H]2CN(CC(=O)NNC(=O)c3ccc(-c4nn[nH]n4)cc3)C[C@H]21 ZINC000821628768 945758785 /nfs/dbraw/zinc/75/87/85/945758785.db2.gz PWDKNCJDVTYKEZ-KGLIPLIRSA-N 0 0 386.416 -1.358 20 50 GAGDRN CN1CCO[C@@H]2CN(CC(=O)NNC(=O)c3ccc(-c4nn[nH]n4)cc3)C[C@@H]21 ZINC000821628769 945759068 /nfs/dbraw/zinc/75/90/68/945759068.db2.gz PWDKNCJDVTYKEZ-UONOGXRCSA-N 0 0 386.416 -1.358 20 50 GAGDRN CN1CCO[C@@H]2CN(CC(=O)NNC(=O)c3ccc(-c4nn[nH]n4)cc3)C[C@H]21 ZINC000821628770 945759080 /nfs/dbraw/zinc/75/90/80/945759080.db2.gz PWDKNCJDVTYKEZ-ZIAGYGMSSA-N 0 0 386.416 -1.358 20 50 GAGDRN CNC(=O)C1(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821631255 945761364 /nfs/dbraw/zinc/76/13/64/945761364.db2.gz CRIXQSAQKQXSQB-UHFFFAOYSA-N 0 0 387.356 -1.303 20 50 GAGDRN CNC(=O)C1(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000821631583 945760649 /nfs/dbraw/zinc/76/06/49/945760649.db2.gz MTZZSEGXPBFUPQ-UHFFFAOYSA-N 0 0 387.356 -1.303 20 50 GAGDRN CNC(=O)N1CCN(CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821633801 945762651 /nfs/dbraw/zinc/76/26/51/945762651.db2.gz DOMFXGFIZVHMQK-UHFFFAOYSA-N 0 0 387.404 -1.415 20 50 GAGDRN CNC(=O)N1CCN(CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000821634223 945763507 /nfs/dbraw/zinc/76/35/07/945763507.db2.gz XVWVRPLANUQUHH-UHFFFAOYSA-N 0 0 387.404 -1.415 20 50 GAGDRN COC(=O)[C@@H]1C[C@H]1C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000821654081 945779574 /nfs/dbraw/zinc/77/95/74/945779574.db2.gz SRDJVGMTRFBQAF-GHMZBOCLSA-N 0 0 388.340 -1.020 20 50 GAGDRN COC(=O)[C@@H]1C[C@@H]1C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000821654082 945779340 /nfs/dbraw/zinc/77/93/40/945779340.db2.gz SRDJVGMTRFBQAF-MNOVXSKESA-N 0 0 388.340 -1.020 20 50 GAGDRN COC(=O)[C@H]1C[C@@H]1C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000821654083 945779035 /nfs/dbraw/zinc/77/90/35/945779035.db2.gz SRDJVGMTRFBQAF-QWRGUYRKSA-N 0 0 388.340 -1.020 20 50 GAGDRN COC(=O)[C@H]1C[C@H]1C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000821654084 945778504 /nfs/dbraw/zinc/77/85/04/945778504.db2.gz SRDJVGMTRFBQAF-WDEREUQCSA-N 0 0 388.340 -1.020 20 50 GAGDRN COC(=O)[C@@H]1C[C@H]1C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821654263 945779187 /nfs/dbraw/zinc/77/91/87/945779187.db2.gz YVJHDTSZZSCJFW-GHMZBOCLSA-N 0 0 388.340 -1.020 20 50 GAGDRN COC(=O)[C@@H]1C[C@@H]1C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821654264 945779264 /nfs/dbraw/zinc/77/92/64/945779264.db2.gz YVJHDTSZZSCJFW-MNOVXSKESA-N 0 0 388.340 -1.020 20 50 GAGDRN COC(=O)[C@H]1C[C@@H]1C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821654265 945778671 /nfs/dbraw/zinc/77/86/71/945778671.db2.gz YVJHDTSZZSCJFW-QWRGUYRKSA-N 0 0 388.340 -1.020 20 50 GAGDRN COC(=O)[C@H]1C[C@H]1C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821654266 945779170 /nfs/dbraw/zinc/77/91/70/945779170.db2.gz YVJHDTSZZSCJFW-WDEREUQCSA-N 0 0 388.340 -1.020 20 50 GAGDRN COC(=O)[C@H]1CN(CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC000821655280 945778735 /nfs/dbraw/zinc/77/87/35/945778735.db2.gz IPRGTVDCBZDOQE-GFCCVEGCSA-N 0 0 389.372 -1.499 20 50 GAGDRN COC(=O)[C@@H]1CN(CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC000821655281 945778695 /nfs/dbraw/zinc/77/86/95/945778695.db2.gz IPRGTVDCBZDOQE-LBPRGKRZSA-N 0 0 389.372 -1.499 20 50 GAGDRN COC(=O)[C@H]1CN(CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CCO1 ZINC000821655629 945778396 /nfs/dbraw/zinc/77/83/96/945778396.db2.gz ONPUTCKJFQFELF-GFCCVEGCSA-N 0 0 389.372 -1.499 20 50 GAGDRN COC(=O)[C@@H]1CN(CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CCO1 ZINC000821655630 945779764 /nfs/dbraw/zinc/77/97/64/945779764.db2.gz ONPUTCKJFQFELF-LBPRGKRZSA-N 0 0 389.372 -1.499 20 50 GAGDRN COC(=O)N(C)CC(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821663722 945783568 /nfs/dbraw/zinc/78/35/68/945783568.db2.gz LCYOPJUFUXZXST-UHFFFAOYSA-N 0 0 391.344 -1.131 20 50 GAGDRN COC(=O)N(C)CC(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000821663971 945783961 /nfs/dbraw/zinc/78/39/61/945783961.db2.gz WVLNSHZSMJZKSO-UHFFFAOYSA-N 0 0 391.344 -1.131 20 50 GAGDRN COC(=O)NCCC(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000821664662 945785723 /nfs/dbraw/zinc/78/57/23/945785723.db2.gz DGDVUAJSNIUYCD-UHFFFAOYSA-N 0 0 391.344 -1.083 20 50 GAGDRN COC(=O)NCC(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000821664709 945786227 /nfs/dbraw/zinc/78/62/27/945786227.db2.gz FWTTXPHKGCTSLK-UHFFFAOYSA-N 0 0 377.317 -1.473 20 50 GAGDRN COC(=O)NCCC(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821665173 945786528 /nfs/dbraw/zinc/78/65/28/945786528.db2.gz YWUUAUDOIXECIW-UHFFFAOYSA-N 0 0 391.344 -1.083 20 50 GAGDRN COC(=O)NCC(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821665203 945786801 /nfs/dbraw/zinc/78/68/01/945786801.db2.gz ZYWXFCWJPRCQOM-UHFFFAOYSA-N 0 0 377.317 -1.473 20 50 GAGDRN COC[C@](C)(O)C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821681776 945803436 /nfs/dbraw/zinc/80/34/36/945803436.db2.gz RTVPYJJUPMPKIY-HNNXBMFYSA-N 0 0 378.345 -1.432 20 50 GAGDRN COC[C@@](C)(O)C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821681777 945804311 /nfs/dbraw/zinc/80/43/11/945804311.db2.gz RTVPYJJUPMPKIY-OAHLLOKOSA-N 0 0 378.345 -1.432 20 50 GAGDRN COC[C@](C)(O)C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000821681944 945805180 /nfs/dbraw/zinc/80/51/80/945805180.db2.gz WMJRNBIQTRYYGF-HNNXBMFYSA-N 0 0 378.345 -1.432 20 50 GAGDRN COC[C@@](C)(O)C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000821681945 945804250 /nfs/dbraw/zinc/80/42/50/945804250.db2.gz WMJRNBIQTRYYGF-OAHLLOKOSA-N 0 0 378.345 -1.432 20 50 GAGDRN COC[C@H]1CN(CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CCO1 ZINC000821684562 945810869 /nfs/dbraw/zinc/81/08/69/945810869.db2.gz DAKYHWHFIILRGQ-CYBMUJFWSA-N 0 0 375.389 -1.025 20 50 GAGDRN COC[C@@H]1CN(CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CCO1 ZINC000821684563 945810947 /nfs/dbraw/zinc/81/09/47/945810947.db2.gz DAKYHWHFIILRGQ-ZDUSSCGKSA-N 0 0 375.389 -1.025 20 50 GAGDRN COC[C@H]1CN(CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC000821684617 945809791 /nfs/dbraw/zinc/80/97/91/945809791.db2.gz FRQOBEOFBDJGNI-CYBMUJFWSA-N 0 0 375.389 -1.025 20 50 GAGDRN COC[C@@H]1CN(CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC000821684618 945809936 /nfs/dbraw/zinc/80/99/36/945809936.db2.gz FRQOBEOFBDJGNI-ZDUSSCGKSA-N 0 0 375.389 -1.025 20 50 GAGDRN COCCCS(=O)(=O)NCC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000821688266 945814375 /nfs/dbraw/zinc/81/43/75/945814375.db2.gz DWVWVLRIETYCMR-UHFFFAOYSA-N 0 0 397.417 -1.416 20 50 GAGDRN COCCCS(=O)(=O)NCC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821688488 945814847 /nfs/dbraw/zinc/81/48/47/945814847.db2.gz MPRKXKMCBNOGCJ-UHFFFAOYSA-N 0 0 397.417 -1.416 20 50 GAGDRN COCCN1CCN(CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000821691227 945821404 /nfs/dbraw/zinc/82/14/04/945821404.db2.gz NEFONZWUQPZPBQ-UHFFFAOYSA-N 0 0 388.432 -1.108 20 50 GAGDRN COCCN1CCN(CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821691404 945819542 /nfs/dbraw/zinc/81/95/42/945819542.db2.gz SUVSJZYKJHCMQB-UHFFFAOYSA-N 0 0 388.432 -1.108 20 50 GAGDRN COCCOCC(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000821691986 945824603 /nfs/dbraw/zinc/82/46/03/945824603.db2.gz MDRZUKYZGWSMIH-UHFFFAOYSA-N 0 0 378.345 -1.166 20 50 GAGDRN COCCOCC(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821692062 945822754 /nfs/dbraw/zinc/82/27/54/945822754.db2.gz NLLLDYAZMJBMFV-UHFFFAOYSA-N 0 0 378.345 -1.166 20 50 GAGDRN COc1cc(-c2nn[nH]n2)ccc1OCC(=O)NNC(=O)[C@H]1COCCO1 ZINC000821701710 945835153 /nfs/dbraw/zinc/83/51/53/945835153.db2.gz ZQWBIEMNHWCDQQ-GFCCVEGCSA-N 0 0 378.345 -1.183 20 50 GAGDRN COc1cc(-c2nn[nH]n2)ccc1OCC(=O)NNC(=O)[C@@H]1COCCO1 ZINC000821701711 945834696 /nfs/dbraw/zinc/83/46/96/945834696.db2.gz ZQWBIEMNHWCDQQ-LBPRGKRZSA-N 0 0 378.345 -1.183 20 50 GAGDRN CS(=O)(=O)CC(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821919811 945903213 /nfs/dbraw/zinc/90/32/13/945903213.db2.gz FRFNCVJTKRAPCJ-UHFFFAOYSA-N 0 0 382.358 -1.785 20 50 GAGDRN CS(=O)(=O)CC(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000821920694 945904579 /nfs/dbraw/zinc/90/45/79/945904579.db2.gz WQBMEZLDFKHHTA-UHFFFAOYSA-N 0 0 382.358 -1.785 20 50 GAGDRN CS(=O)(=O)N1CCN(C(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000821932578 945907516 /nfs/dbraw/zinc/90/75/16/945907516.db2.gz NWJFQFBMOUOXFF-UHFFFAOYSA-N 0 0 394.417 -1.202 20 50 GAGDRN CS(=O)(=O)N1CCN(C(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821933125 945907715 /nfs/dbraw/zinc/90/77/15/945907715.db2.gz VHPYEZZEGQNGQG-UHFFFAOYSA-N 0 0 394.417 -1.202 20 50 GAGDRN CS(=O)(=O)c1nccn1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000821942052 945906880 /nfs/dbraw/zinc/90/68/80/945906880.db2.gz KSOMRHORENUZKR-UHFFFAOYSA-N 0 0 390.385 -1.072 20 50 GAGDRN CS(=O)(=O)c1nccn1CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821942796 945907798 /nfs/dbraw/zinc/90/77/98/945907798.db2.gz RHNKVQSLCYEADX-UHFFFAOYSA-N 0 0 390.385 -1.072 20 50 GAGDRN Cc1c(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)nnn1C ZINC000822020879 945922538 /nfs/dbraw/zinc/92/25/38/945922538.db2.gz MHSNRLSHJFBLOW-UHFFFAOYSA-N 0 0 385.344 -1.078 20 50 GAGDRN Cc1c(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)nnn1C ZINC000822021419 945922772 /nfs/dbraw/zinc/92/27/72/945922772.db2.gz ZYKCPGOTUJHJCO-UHFFFAOYSA-N 0 0 385.344 -1.078 20 50 GAGDRN Cc1c(C=C(C#N)C(=O)NNC(=O)[C@H]2COCCO2)cc(-c2nn[nH]n2)n1C ZINC000822027500 945934998 /nfs/dbraw/zinc/93/49/98/945934998.db2.gz HQGIRYMSXHGCQK-HQIZRNBFSA-N 0 0 386.372 -1.017 20 50 GAGDRN Cc1c(C=C(C#N)C(=O)NNC(=O)[C@@H]2COCCO2)cc(-c2nn[nH]n2)n1C ZINC000822027501 945933455 /nfs/dbraw/zinc/93/34/55/945933455.db2.gz HQGIRYMSXHGCQK-KKNAONHISA-N 0 0 386.372 -1.017 20 50 GAGDRN Cc1c(C=C(C#N)C(=O)NNC(=O)[C@@H]2COCCO2)cc(-c2nn[nH]n2)n1C ZINC000822027502 945934719 /nfs/dbraw/zinc/93/47/19/945934719.db2.gz HQGIRYMSXHGCQK-PTJCHJMSSA-N 0 0 386.372 -1.017 20 50 GAGDRN Cc1c(C=C(C#N)C(=O)NNC(=O)[C@H]2COCCO2)cc(-c2nn[nH]n2)n1C ZINC000822027503 945934357 /nfs/dbraw/zinc/93/43/57/945934357.db2.gz HQGIRYMSXHGCQK-ZRVMKQEGSA-N 0 0 386.372 -1.017 20 50 GAGDRN Cn1c2ncn(CC(=O)NN=Cc3ccc(-c4nn[nH]n4)o3)c2c(=O)n(C)c1=O ZINC000822591073 946132888 /nfs/dbraw/zinc/13/28/88/946132888.db2.gz QASRFKFKUIWSSF-UHFFFAOYSA-N 0 0 398.343 -1.643 20 50 GAGDRN Cn1c(=O)[nH]cc(C(=O)NNC(=O)COc2ccc(-c3nn[nH]n3)cc2)c1=O ZINC000822591100 946134115 /nfs/dbraw/zinc/13/41/15/946134115.db2.gz QRQYVCTUIFZMGJ-UHFFFAOYSA-N 0 0 386.328 -1.494 20 50 GAGDRN Cn1c(N)c(C=NNC(=O)COc2ccccc2-c2nn[nH]n2)c(=O)n(C)c1=O ZINC000822599155 946134001 /nfs/dbraw/zinc/13/40/01/946134001.db2.gz AZAHXAHCJPPMRU-UHFFFAOYSA-N 0 0 399.371 -1.625 20 50 GAGDRN Cn1c(N)c(C=NNC(=O)COc2ccc(-c3nn[nH]n3)cc2)c(=O)n(C)c1=O ZINC000822600713 946136465 /nfs/dbraw/zinc/13/64/65/946136465.db2.gz QLACUBDMBCGBLU-UHFFFAOYSA-N 0 0 399.371 -1.625 20 50 GAGDRN Cn1cc(C(=O)C(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)cn1 ZINC000822669797 946150509 /nfs/dbraw/zinc/15/05/09/946150509.db2.gz PYCHZGMVTLTSEO-UHFFFAOYSA-N 0 0 398.339 -1.213 20 50 GAGDRN Cn1cc(C(=O)C(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)cn1 ZINC000822669891 946149801 /nfs/dbraw/zinc/14/98/01/946149801.db2.gz TYFJSZQQDSGAAZ-UHFFFAOYSA-N 0 0 398.339 -1.213 20 50 GAGDRN Cn1nc(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)ccc1=O ZINC000822705121 946164241 /nfs/dbraw/zinc/16/42/41/946164241.db2.gz WFGOSDUGUASAHA-UHFFFAOYSA-N 0 0 398.339 -1.422 20 50 GAGDRN Cn1nc(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)ccc1=O ZINC000822705188 946163238 /nfs/dbraw/zinc/16/32/38/946163238.db2.gz ZBRLAPXPBDPMIJ-UHFFFAOYSA-N 0 0 398.339 -1.422 20 50 GAGDRN Cn1ncc(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)c1N ZINC000822709209 946164659 /nfs/dbraw/zinc/16/46/59/946164659.db2.gz HVVSXWJGPHNLIP-UHFFFAOYSA-N 0 0 385.344 -1.200 20 50 GAGDRN Cn1ncc(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)c1N ZINC000822709327 946163422 /nfs/dbraw/zinc/16/34/22/946163422.db2.gz JTFWKAFFOHIZIB-UHFFFAOYSA-N 0 0 385.344 -1.200 20 50 GAGDRN NC(=O)NC1CCN(CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000822873498 946208868 /nfs/dbraw/zinc/20/88/68/946208868.db2.gz CMXUKDKETXCQON-UHFFFAOYSA-N 0 0 387.404 -1.240 20 50 GAGDRN NC(=O)NC1CCN(CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000822873803 946209351 /nfs/dbraw/zinc/20/93/51/946209351.db2.gz KLSNCHGIWHYVND-UHFFFAOYSA-N 0 0 387.404 -1.240 20 50 GAGDRN NC(=O)N1CCCN(CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000822874044 946208539 /nfs/dbraw/zinc/20/85/39/946208539.db2.gz ROBRKEVJBJKIJS-UHFFFAOYSA-N 0 0 387.404 -1.286 20 50 GAGDRN NC(=O)N1CCCN(CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000822874327 946208836 /nfs/dbraw/zinc/20/88/36/946208836.db2.gz XRNFQBYARXAYOT-UHFFFAOYSA-N 0 0 387.404 -1.286 20 50 GAGDRN NC(=O)c1c[nH]c(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000822879834 946207943 /nfs/dbraw/zinc/20/79/43/946207943.db2.gz GYIVQRFXTDHFHH-UHFFFAOYSA-N 0 0 398.339 -1.088 20 50 GAGDRN NC(=O)c1c[nH]c(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000822880689 946211515 /nfs/dbraw/zinc/21/15/15/946211515.db2.gz YQYVVPPSZISXQD-UHFFFAOYSA-N 0 0 398.339 -1.088 20 50 GAGDRN Nc1c(-c2nn[nH]n2)cnn1-c1ccc(C(=O)NNC(=O)[C@H]2COCCO2)cc1 ZINC000822902916 946213422 /nfs/dbraw/zinc/21/34/22/946213422.db2.gz DWUXGZYMLHJHMZ-GFCCVEGCSA-N 0 0 399.371 -1.189 20 50 GAGDRN Nc1c(-c2nn[nH]n2)cnn1-c1ccc(C(=O)NNC(=O)[C@@H]2COCCO2)cc1 ZINC000822902917 946213138 /nfs/dbraw/zinc/21/31/38/946213138.db2.gz DWUXGZYMLHJHMZ-LBPRGKRZSA-N 0 0 399.371 -1.189 20 50 GAGDRN Nc1nccnc1C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000822907618 946215691 /nfs/dbraw/zinc/21/56/91/946215691.db2.gz VPHXZPUWVSJYHQ-UHFFFAOYSA-N 0 0 383.328 -1.143 20 50 GAGDRN Nc1nccnc1C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000822907643 946215621 /nfs/dbraw/zinc/21/56/21/946215621.db2.gz WYPWITPPMAOCIK-UHFFFAOYSA-N 0 0 383.328 -1.143 20 50 GAGDRN O=C(CN1CCCS(=O)(=O)CC1)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000822996221 946254294 /nfs/dbraw/zinc/25/42/94/946254294.db2.gz AXLFBEKMSFYVJS-UHFFFAOYSA-N 0 0 393.429 -1.252 20 50 GAGDRN O=C(CN1CCN(C2CC2)C(=O)C1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000822996463 946254162 /nfs/dbraw/zinc/25/41/62/946254162.db2.gz FBMAUFBOMQSQON-UHFFFAOYSA-N 0 0 384.400 -1.066 20 50 GAGDRN O=C(CN1CCN2C(=O)NC[C@@H]2C1)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000822996754 946256193 /nfs/dbraw/zinc/25/61/93/946256193.db2.gz ILJKKAFNZDPDOD-GFCCVEGCSA-N 0 0 385.388 -1.663 20 50 GAGDRN O=C(CN1CCN2C(=O)NC[C@H]2C1)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000822996755 946257500 /nfs/dbraw/zinc/25/75/00/946257500.db2.gz ILJKKAFNZDPDOD-LBPRGKRZSA-N 0 0 385.388 -1.663 20 50 GAGDRN O=C(CN1CCCS(=O)(=O)CC1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000822997117 946257643 /nfs/dbraw/zinc/25/76/43/946257643.db2.gz NPAJMEKAKPVTSH-UHFFFAOYSA-N 0 0 393.429 -1.252 20 50 GAGDRN O=C(CN1CCN2C(=O)NC[C@@H]2C1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000822997562 946260027 /nfs/dbraw/zinc/26/00/27/946260027.db2.gz SFKXFQJHPLWXLA-GFCCVEGCSA-N 0 0 385.388 -1.663 20 50 GAGDRN O=C(CN1CCN2C(=O)NC[C@H]2C1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000822997563 946259245 /nfs/dbraw/zinc/25/92/45/946259245.db2.gz SFKXFQJHPLWXLA-LBPRGKRZSA-N 0 0 385.388 -1.663 20 50 GAGDRN O=C(CN1CCN(C2CC2)C(=O)C1)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000822997826 946260572 /nfs/dbraw/zinc/26/05/72/946260572.db2.gz VQHHZUDNCWWPAY-UHFFFAOYSA-N 0 0 384.400 -1.066 20 50 GAGDRN O=C(CN1CCN2C(=O)OC[C@H]2C1)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000823001267 946260055 /nfs/dbraw/zinc/26/00/55/946260055.db2.gz JNTHLSYNADYFJG-GFCCVEGCSA-N 0 0 386.372 -1.236 20 50 GAGDRN O=C(CN1CCN2C(=O)OC[C@@H]2C1)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000823001268 946259996 /nfs/dbraw/zinc/25/99/96/946259996.db2.gz JNTHLSYNADYFJG-LBPRGKRZSA-N 0 0 386.372 -1.236 20 50 GAGDRN O=C(CN1CCN2C(=O)OC[C@H]2C1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000823001912 946263125 /nfs/dbraw/zinc/26/31/25/946263125.db2.gz QKLNGXJZRMWBBH-GFCCVEGCSA-N 0 0 386.372 -1.236 20 50 GAGDRN O=C(CN1CCN2C(=O)OC[C@@H]2C1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000823001916 946262107 /nfs/dbraw/zinc/26/21/07/946262107.db2.gz QKLNGXJZRMWBBH-LBPRGKRZSA-N 0 0 386.372 -1.236 20 50 GAGDRN O=C(CNC(=O)c1ccc(-c2nn[nH]n2)cc1)NNC(=O)[C@H]1COCCO1 ZINC000823005608 946265471 /nfs/dbraw/zinc/26/54/71/946265471.db2.gz YPYHPRDYYWMQHE-LLVKDONJSA-N 0 0 375.345 -1.841 20 50 GAGDRN O=C(CNC(=O)c1ccc(-c2nn[nH]n2)cc1)NNC(=O)[C@@H]1COCCO1 ZINC000823005609 946265607 /nfs/dbraw/zinc/26/56/07/946265607.db2.gz YPYHPRDYYWMQHE-NSHDSACASA-N 0 0 375.345 -1.841 20 50 GAGDRN O=C(COC(=O)C1(O)CCOCC1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000823014173 946266505 /nfs/dbraw/zinc/26/65/05/946266505.db2.gz JCNCRCBLASWFAC-UHFFFAOYSA-N 0 0 390.356 -1.288 20 50 GAGDRN O=C(COC(=O)C1(O)CCOCC1)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000823014452 946267034 /nfs/dbraw/zinc/26/70/34/946267034.db2.gz NFNJQCBCKPBALX-UHFFFAOYSA-N 0 0 390.356 -1.288 20 50 GAGDRN O=C(COC(=O)CCc1nnc[nH]1)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000823018171 946271471 /nfs/dbraw/zinc/27/14/71/946271471.db2.gz INHKINSIEVSWIJ-UHFFFAOYSA-N 0 0 385.344 -1.078 20 50 GAGDRN O=C(COC(=O)CN1CCCC1=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000823018413 946272679 /nfs/dbraw/zinc/27/26/79/946272679.db2.gz MZLJGCXHIXWIBO-UHFFFAOYSA-N 0 0 387.356 -1.207 20 50 GAGDRN O=C(COC(=O)CNC(=O)C1CC1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000823018458 946273638 /nfs/dbraw/zinc/27/36/38/946273638.db2.gz OLPMMOONCKKOIG-UHFFFAOYSA-N 0 0 387.356 -1.303 20 50 GAGDRN O=C(COC(=O)[C@H]1COCCO1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000823018503 946273039 /nfs/dbraw/zinc/27/30/39/946273039.db2.gz PQPTXMKHSRDYKH-LLVKDONJSA-N 0 0 376.329 -1.414 20 50 GAGDRN O=C(COC(=O)[C@@H]1COCCO1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000823018504 946272391 /nfs/dbraw/zinc/27/23/91/946272391.db2.gz PQPTXMKHSRDYKH-NSHDSACASA-N 0 0 376.329 -1.414 20 50 GAGDRN O=C(COC(=O)CNC(=O)C1CC1)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000823018828 946275645 /nfs/dbraw/zinc/27/56/45/946275645.db2.gz YOENYBZAMGZOFO-UHFFFAOYSA-N 0 0 387.356 -1.303 20 50 GAGDRN O=C(COC(=O)[C@H]1COCCO1)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000823018852 946275062 /nfs/dbraw/zinc/27/50/62/946275062.db2.gz ZAOAFMQYZFXIDU-LLVKDONJSA-N 0 0 376.329 -1.414 20 50 GAGDRN O=C(COC(=O)[C@@H]1COCCO1)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000823018854 946275924 /nfs/dbraw/zinc/27/59/24/946275924.db2.gz ZAOAFMQYZFXIDU-NSHDSACASA-N 0 0 376.329 -1.414 20 50 GAGDRN O=C(COC(=O)CCc1nnc[nH]1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000823018877 946275325 /nfs/dbraw/zinc/27/53/25/946275325.db2.gz ZOQKGGZECYZHHU-UHFFFAOYSA-N 0 0 385.344 -1.078 20 50 GAGDRN O=C(COC(=O)CN1CCCC1=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000823018912 946276059 /nfs/dbraw/zinc/27/60/59/946276059.db2.gz ZTFQXFRCXMCNET-UHFFFAOYSA-N 0 0 387.356 -1.207 20 50 GAGDRN O=C(COc1ccc(-c2nn[nH]n2)cc1)NNC(=O)Cn1ccc(=O)[nH]c1=O ZINC000823036449 946285834 /nfs/dbraw/zinc/28/58/34/946285834.db2.gz CFIWAFONCSUFHG-UHFFFAOYSA-N 0 0 386.328 -1.645 20 50 GAGDRN O=C(NCCNc1ccc(-c2nn[nH]n2)cn1)NNC(=O)[C@@H]1COCCO1 ZINC000823201135 946342089 /nfs/dbraw/zinc/34/20/89/946342089.db2.gz AJWZRJICPKVIJS-JTQLQIEISA-N 0 0 377.365 -1.581 20 50 GAGDRN O=C(NCCNc1ccc(-c2nn[nH]n2)cn1)NNC(=O)[C@H]1COCCO1 ZINC000823201136 946342519 /nfs/dbraw/zinc/34/25/19/946342519.db2.gz AJWZRJICPKVIJS-SNVBAGLBSA-N 0 0 377.365 -1.581 20 50 GAGDRN O=C(NCCNc1ncccc1-c1nn[nH]n1)NNC(=O)[C@@H]1COCCO1 ZINC000823205897 946341582 /nfs/dbraw/zinc/34/15/82/946341582.db2.gz BIXFOBQSECHBKN-JTQLQIEISA-N 0 0 377.365 -1.581 20 50 GAGDRN O=C(NCCNc1ncccc1-c1nn[nH]n1)NNC(=O)[C@H]1COCCO1 ZINC000823205898 946342913 /nfs/dbraw/zinc/34/29/13/946342913.db2.gz BIXFOBQSECHBKN-SNVBAGLBSA-N 0 0 377.365 -1.581 20 50 GAGDRN O=C(NCCOc1ccc(-c2nn[nH]n2)cc1)NNC(=O)[C@H]1COCCO1 ZINC000823215693 946347273 /nfs/dbraw/zinc/34/72/73/946347273.db2.gz PWWRRCXMMQDNOM-GFCCVEGCSA-N 0 0 377.361 -1.009 20 50 GAGDRN O=C(NCCOc1ccc(-c2nn[nH]n2)cc1)NNC(=O)[C@@H]1COCCO1 ZINC000823215694 946347116 /nfs/dbraw/zinc/34/71/16/946347116.db2.gz PWWRRCXMMQDNOM-LBPRGKRZSA-N 0 0 377.361 -1.009 20 50 GAGDRN O=C(COC(=O)[C@@H]1CCNC(=O)C1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000823518890 606763688 /nfs/dbraw/zinc/76/36/88/606763688.db2.gz AWYYNTHZOHKRLE-LLVKDONJSA-N 0 0 387.356 -1.303 20 50 GAGDRN O=C(COC(=O)[C@H]1CCNC(=O)C1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000823518891 606763937 /nfs/dbraw/zinc/76/39/37/606763937.db2.gz AWYYNTHZOHKRLE-NSHDSACASA-N 0 0 387.356 -1.303 20 50 GAGDRN O=C(COC(=O)[C@@H]1CCNC(=O)C1)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000823521251 606763768 /nfs/dbraw/zinc/76/37/68/606763768.db2.gz UFZOXFRUIYZDBH-LLVKDONJSA-N 0 0 387.356 -1.303 20 50 GAGDRN O=C(COC(=O)[C@H]1CCNC(=O)C1)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000823521252 606763734 /nfs/dbraw/zinc/76/37/34/606763734.db2.gz UFZOXFRUIYZDBH-NSHDSACASA-N 0 0 387.356 -1.303 20 50 GAGDRN O=C(CN1[C@@H]2CC[C@H]1CNC(=O)C2)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000823525251 606376992 /nfs/dbraw/zinc/37/69/92/606376992.db2.gz IVUAIPMYOXDSQS-OLZOCXBDSA-N 0 0 384.400 -1.019 20 50 GAGDRN O=C(CN1[C@@H]2CC[C@H]1CNC(=O)C2)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000823525315 606376724 /nfs/dbraw/zinc/37/67/24/606376724.db2.gz LZAXMBFITIKLST-OLZOCXBDSA-N 0 0 384.400 -1.019 20 50 GAGDRN O=C(COC(=O)[C@@H]1CCC(=O)NC1)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000823525465 599657238 /nfs/dbraw/zinc/65/72/38/599657238.db2.gz OAOVOHLOOVSPGT-LLVKDONJSA-N 0 0 387.356 -1.303 20 50 GAGDRN O=C(COC(=O)[C@H]1CCC(=O)NC1)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000823525466 599657071 /nfs/dbraw/zinc/65/70/71/599657071.db2.gz OAOVOHLOOVSPGT-NSHDSACASA-N 0 0 387.356 -1.303 20 50 GAGDRN O=C(COC(=O)[C@@H]1CCC(=O)NC1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000823525949 599657203 /nfs/dbraw/zinc/65/72/03/599657203.db2.gz WJDPWKNQHJUMEH-LLVKDONJSA-N 0 0 387.356 -1.303 20 50 GAGDRN O=C(COC(=O)[C@H]1CCC(=O)NC1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000823525951 599657093 /nfs/dbraw/zinc/65/70/93/599657093.db2.gz WJDPWKNQHJUMEH-NSHDSACASA-N 0 0 387.356 -1.303 20 50 GAGDRN O=C(COC(=O)C1=NNC(=O)CC1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000823525980 599648395 /nfs/dbraw/zinc/64/83/95/599648395.db2.gz XILJPSUXKMOUHX-UHFFFAOYSA-N 0 0 386.328 -1.563 20 50 GAGDRN CC(CO)(CO)C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000824433230 608382081 /nfs/dbraw/zinc/38/20/81/608382081.db2.gz DQOLQKCCRISIGW-UHFFFAOYSA-N 0 0 378.345 -1.838 20 50 GAGDRN CC(CO)(CO)C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824434377 608382580 /nfs/dbraw/zinc/38/25/80/608382580.db2.gz JIQRFDYFNAHCIE-UHFFFAOYSA-N 0 0 378.345 -1.838 20 50 GAGDRN C[C@@H](CS(C)(=O)=O)N(C)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824448708 607922184 /nfs/dbraw/zinc/92/21/84/607922184.db2.gz KMOWDBZIMIYWON-JTQLQIEISA-N 0 0 395.445 -1.007 20 50 GAGDRN C[C@H](CS(C)(=O)=O)N(C)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824448709 607922190 /nfs/dbraw/zinc/92/21/90/607922190.db2.gz KMOWDBZIMIYWON-SNVBAGLBSA-N 0 0 395.445 -1.007 20 50 GAGDRN C[C@H]1CO[C@H](CO)CN1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825007223 947043695 /nfs/dbraw/zinc/04/36/95/947043695.db2.gz XOQCKKDJXIJEHW-GWCFXTLKSA-N 0 0 375.389 -1.291 20 50 GAGDRN C[C@H]1CO[C@@H](CO)CN1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825007224 947041638 /nfs/dbraw/zinc/04/16/38/947041638.db2.gz XOQCKKDJXIJEHW-GXFFZTMASA-N 0 0 375.389 -1.291 20 50 GAGDRN C[C@@H]1CO[C@H](CO)CN1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825007225 947043861 /nfs/dbraw/zinc/04/38/61/947043861.db2.gz XOQCKKDJXIJEHW-MFKMUULPSA-N 0 0 375.389 -1.291 20 50 GAGDRN C[C@@H]1CO[C@@H](CO)CN1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825007226 947043661 /nfs/dbraw/zinc/04/36/61/947043661.db2.gz XOQCKKDJXIJEHW-ZWNOBZJWSA-N 0 0 375.389 -1.291 20 50 GAGDRN C[C@H]1CS(=O)(=O)CCN1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825013006 607923200 /nfs/dbraw/zinc/92/32/00/607923200.db2.gz NEAUADFFHDSKBM-JTQLQIEISA-N 0 0 393.429 -1.253 20 50 GAGDRN C[C@@H]1CS(=O)(=O)CCN1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825013007 607923182 /nfs/dbraw/zinc/92/31/82/607923182.db2.gz NEAUADFFHDSKBM-SNVBAGLBSA-N 0 0 393.429 -1.253 20 50 GAGDRN CCN(CCS(C)(=O)=O)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825424395 607801382 /nfs/dbraw/zinc/80/13/82/607801382.db2.gz FGQKPHNMOXKTQV-UHFFFAOYSA-N 0 0 395.445 -1.006 20 50 GAGDRN CCN(CCS(C)(=O)=O)CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000825424432 607800754 /nfs/dbraw/zinc/80/07/54/607800754.db2.gz HAMIPBKOIDWDKM-UHFFFAOYSA-N 0 0 395.445 -1.006 20 50 GAGDRN CCS(=O)(=O)CCN(C)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825662646 607991902 /nfs/dbraw/zinc/99/19/02/607991902.db2.gz AKEMYOHTVVEFEZ-UHFFFAOYSA-N 0 0 395.445 -1.006 20 50 GAGDRN CCS(=O)(=O)NCC(=O)NNC(=O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000825663307 607964768 /nfs/dbraw/zinc/96/47/68/607964768.db2.gz LRIKEVATCDRXBP-UHFFFAOYSA-N 0 0 383.390 -1.668 20 50 GAGDRN CCS(=O)(=O)CCN(C)CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000825663820 607991808 /nfs/dbraw/zinc/99/18/08/607991808.db2.gz XGYBTRMLFVTGHV-UHFFFAOYSA-N 0 0 395.445 -1.006 20 50 GAGDRN CN(C)S(=O)(=O)CC(=O)NNC(=O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000825870318 608143168 /nfs/dbraw/zinc/14/31/68/608143168.db2.gz GPSOHOWAKAEIDS-UHFFFAOYSA-N 0 0 383.390 -1.716 20 50 GAGDRN CN(CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)CC(C)(CO)CO ZINC000825892820 607985374 /nfs/dbraw/zinc/98/53/74/607985374.db2.gz UXRKVPKMWZJCIG-UHFFFAOYSA-N 0 0 377.405 -1.450 20 50 GAGDRN CN(CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)CC(C)(CO)CO ZINC000825893008 607985432 /nfs/dbraw/zinc/98/54/32/607985432.db2.gz YVAPRJCEKVRHQF-UHFFFAOYSA-N 0 0 377.405 -1.450 20 50 GAGDRN CN(C)C(=O)NCCN(C)CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000825938055 609280858 /nfs/dbraw/zinc/28/08/58/609280858.db2.gz NNRVXQUCCUZRNJ-UHFFFAOYSA-N 0 0 389.420 -1.169 20 50 GAGDRN CN(C)C(=O)NCCN(C)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825938418 609281105 /nfs/dbraw/zinc/28/11/05/609281105.db2.gz SMABHLBWHKQKCK-UHFFFAOYSA-N 0 0 389.420 -1.169 20 50 GAGDRN CNC(=O)[C@H]1CN(CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC000826060039 609430028 /nfs/dbraw/zinc/43/00/28/609430028.db2.gz FOLFIXXYSHMRGG-GFCCVEGCSA-N 0 0 388.388 -1.926 20 50 GAGDRN CNC(=O)[C@@H]1CN(CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC000826060040 609430371 /nfs/dbraw/zinc/43/03/71/609430371.db2.gz FOLFIXXYSHMRGG-LBPRGKRZSA-N 0 0 388.388 -1.926 20 50 GAGDRN CNC(=O)[C@H]1CN(CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CCO1 ZINC000826061060 609431089 /nfs/dbraw/zinc/43/10/89/609431089.db2.gz ZGEUYONEVCORJI-GFCCVEGCSA-N 0 0 388.388 -1.926 20 50 GAGDRN CNC(=O)[C@@H]1CN(CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CCO1 ZINC000826061061 609430923 /nfs/dbraw/zinc/43/09/23/609430923.db2.gz ZGEUYONEVCORJI-LBPRGKRZSA-N 0 0 388.388 -1.926 20 50 GAGDRN CNS(=O)(=O)[C@@H]1CCN(C(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000826084261 607537343 /nfs/dbraw/zinc/53/73/43/607537343.db2.gz XDQBWCBQPSSXIA-LLVKDONJSA-N 0 0 394.417 -1.155 20 50 GAGDRN CNS(=O)(=O)[C@H]1CCN(C(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000826084262 607537598 /nfs/dbraw/zinc/53/75/98/607537598.db2.gz XDQBWCBQPSSXIA-NSHDSACASA-N 0 0 394.417 -1.155 20 50 GAGDRN CNS(=O)(=O)[C@@H]1CCN(C(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826084273 607537727 /nfs/dbraw/zinc/53/77/27/607537727.db2.gz XLRPCYLBFXMIHI-LLVKDONJSA-N 0 0 394.417 -1.155 20 50 GAGDRN CNS(=O)(=O)[C@H]1CCN(C(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826084274 607537611 /nfs/dbraw/zinc/53/76/11/607537611.db2.gz XLRPCYLBFXMIHI-NSHDSACASA-N 0 0 394.417 -1.155 20 50 GAGDRN COC(=O)[C@]1(NCC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CCOC1 ZINC000826124484 608458657 /nfs/dbraw/zinc/45/86/57/608458657.db2.gz RSJCZFJEKWCDDI-INIZCTEOSA-N 0 0 389.372 -1.451 20 50 GAGDRN COC(=O)[C@@]1(NCC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CCOC1 ZINC000826124487 608458590 /nfs/dbraw/zinc/45/85/90/608458590.db2.gz RSJCZFJEKWCDDI-MRXNPFEDSA-N 0 0 389.372 -1.451 20 50 GAGDRN COCC(=O)N(C)CC(=O)NNC(=O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000826147742 607964863 /nfs/dbraw/zinc/96/48/63/607964863.db2.gz KIMUZTNINFNUPC-UHFFFAOYSA-N 0 0 377.361 -1.502 20 50 GAGDRN COCCN(CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)[C@@H](C)C(N)=O ZINC000826157687 607923032 /nfs/dbraw/zinc/92/30/32/607923032.db2.gz HHEWGTCKLIXIRN-JTQLQIEISA-N 0 0 390.404 -1.550 20 50 GAGDRN COCCN(CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)[C@H](C)C(N)=O ZINC000826157688 607922764 /nfs/dbraw/zinc/92/27/64/607922764.db2.gz HHEWGTCKLIXIRN-SNVBAGLBSA-N 0 0 390.404 -1.550 20 50 GAGDRN COCCN(CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)CC(=O)OC ZINC000826158009 607922799 /nfs/dbraw/zinc/92/27/99/607922799.db2.gz WDSNUGUBWIFNEA-UHFFFAOYSA-N 0 0 391.388 -1.251 20 50 GAGDRN CS(=O)(=O)N1CCN(CC(=O)NNc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826223204 607727887 /nfs/dbraw/zinc/72/78/87/607727887.db2.gz FGAYRGCJYVLDTR-UHFFFAOYSA-N 0 0 380.434 -1.113 20 50 GAGDRN CS(=O)(=O)N1CCN(CC(=O)NNc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826223330 607350106 /nfs/dbraw/zinc/35/01/06/607350106.db2.gz JEAXLWLOCYHKBL-UHFFFAOYSA-N 0 0 380.434 -1.113 20 50 GAGDRN Cc1c(C=C(C#N)C(=O)NCCN2CCNC(=O)C2)cc(-c2nn[nH]n2)n1C ZINC000826235152 609319110 /nfs/dbraw/zinc/31/91/10/609319110.db2.gz DAEOKXMENBYISN-NTUHNPAUSA-N 0 0 383.416 -1.031 20 50 GAGDRN Cc1c(C=C(C#N)C(=O)NCCN2CCNC(=O)C2)cc(-c2nn[nH]n2)n1C ZINC000826235153 609319051 /nfs/dbraw/zinc/31/90/51/609319051.db2.gz DAEOKXMENBYISN-QPEQYQDCSA-N 0 0 383.416 -1.031 20 50 GAGDRN Cn1c2ncn(CC(=O)NNc3cccc(-c4nn[nH]n4)c3)c2c(=O)n(C)c1=O ZINC000826354576 607728443 /nfs/dbraw/zinc/72/84/43/607728443.db2.gz LFTQOPOVFWGHDS-UHFFFAOYSA-N 0 0 396.371 -1.243 20 50 GAGDRN Cn1c2ncn(CC(=O)NNc3ccc(-c4nn[nH]n4)cc3)c2c(=O)n(C)c1=O ZINC000826354863 607350778 /nfs/dbraw/zinc/35/07/78/607350778.db2.gz YUDBJQHYWZVYND-UHFFFAOYSA-N 0 0 396.371 -1.243 20 50 GAGDRN Cn1cnc2c1c(=O)n(CC(=O)NNc1cccc(-c3nn[nH]n3)c1)c(=O)n2C ZINC000826364746 607722751 /nfs/dbraw/zinc/72/27/51/607722751.db2.gz JEEYCUHQPGREQR-UHFFFAOYSA-N 0 0 396.371 -1.243 20 50 GAGDRN Cn1cnc2c1c(=O)n(CC(=O)NNc1ccc(-c3nn[nH]n3)cc1)c(=O)n2C ZINC000826364858 607347047 /nfs/dbraw/zinc/34/70/47/607347047.db2.gz OFAWLWSBGTVPAO-UHFFFAOYSA-N 0 0 396.371 -1.243 20 50 GAGDRN Cn1nnnc1CCNC(=O)NNC(=O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000826366855 608273140 /nfs/dbraw/zinc/27/31/40/608273140.db2.gz ASMHWVVQGBYJMU-UHFFFAOYSA-N 0 0 387.364 -1.658 20 50 GAGDRN Cn1nnnc1CCNC(=O)NNC(=O)COc1ccccc1-c1nn[nH]n1 ZINC000826367449 608273073 /nfs/dbraw/zinc/27/30/73/608273073.db2.gz ZIAJOUADRIHKGH-UHFFFAOYSA-N 0 0 387.364 -1.658 20 50 GAGDRN NC(=O)[C@H]1CSCCN1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826391131 608322469 /nfs/dbraw/zinc/32/24/69/608322469.db2.gz XPBOCAIVEUOFHG-LLVKDONJSA-N 0 0 390.429 -1.470 20 50 GAGDRN NC(=O)[C@@H]1CSCCN1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826391132 608322560 /nfs/dbraw/zinc/32/25/60/608322560.db2.gz XPBOCAIVEUOFHG-NSHDSACASA-N 0 0 390.429 -1.470 20 50 GAGDRN NS(=O)(=O)c1ccc(C(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)cn1 ZINC000826394283 608103592 /nfs/dbraw/zinc/10/35/92/608103592.db2.gz DXSAGLVVUVKCTG-UHFFFAOYSA-N 0 0 388.369 -1.016 20 50 GAGDRN NS(=O)(=O)[C@@H]1CCN(CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826394333 608260999 /nfs/dbraw/zinc/26/09/99/608260999.db2.gz GIMYEXLFLNUXMF-LLVKDONJSA-N 0 0 394.417 -2.010 20 50 GAGDRN NS(=O)(=O)[C@H]1CCN(CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826394334 608260626 /nfs/dbraw/zinc/26/06/26/608260626.db2.gz GIMYEXLFLNUXMF-NSHDSACASA-N 0 0 394.417 -2.010 20 50 GAGDRN NS(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)cn1 ZINC000826394337 608103599 /nfs/dbraw/zinc/10/35/99/608103599.db2.gz GLTWHBBXVIJRHH-UHFFFAOYSA-N 0 0 388.369 -1.016 20 50 GAGDRN NS(=O)(=O)[C@@H]1CCN(CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000826394614 608260514 /nfs/dbraw/zinc/26/05/14/608260514.db2.gz QPRFWKMDYXJKTB-LLVKDONJSA-N 0 0 394.417 -2.010 20 50 GAGDRN NS(=O)(=O)[C@H]1CCN(CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000826394615 608261009 /nfs/dbraw/zinc/26/10/09/608261009.db2.gz QPRFWKMDYXJKTB-NSHDSACASA-N 0 0 394.417 -2.010 20 50 GAGDRN O=C(CN1CCN2C(=O)NC(=O)[C@H]2C1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826410965 948247726 /nfs/dbraw/zinc/24/77/26/948247726.db2.gz FZPHJVWSXLIIGA-LLVKDONJSA-N 0 0 399.371 -2.136 20 50 GAGDRN O=C(CN1CCN2C(=O)NC(=O)[C@@H]2C1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826410966 948246510 /nfs/dbraw/zinc/24/65/10/948246510.db2.gz FZPHJVWSXLIIGA-NSHDSACASA-N 0 0 399.371 -2.136 20 50 GAGDRN O=C(CN1CCN(C(=O)CO)CC1)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826410989 608456295 /nfs/dbraw/zinc/45/62/95/608456295.db2.gz GTBALFGYLJKBRK-UHFFFAOYSA-N 0 0 388.388 -2.236 20 50 GAGDRN O=C(CN1CCN2C(=O)CC[C@@H]2C1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826411000 608259238 /nfs/dbraw/zinc/25/92/38/608259238.db2.gz HJAURZXHJLQSTL-CYBMUJFWSA-N 0 0 384.400 -1.066 20 50 GAGDRN O=C(CN1CCN2C(=O)CC[C@H]2C1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826411001 608259436 /nfs/dbraw/zinc/25/94/36/608259436.db2.gz HJAURZXHJLQSTL-ZDUSSCGKSA-N 0 0 384.400 -1.066 20 50 GAGDRN O=C(CN1CCOC[C@H]1CCO)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826411043 608457270 /nfs/dbraw/zinc/45/72/70/608457270.db2.gz JCTVZWBDWFSTJP-CYBMUJFWSA-N 0 0 375.389 -1.289 20 50 GAGDRN O=C(CN1CCOC[C@@H]1CCO)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826411044 608457542 /nfs/dbraw/zinc/45/75/42/608457542.db2.gz JCTVZWBDWFSTJP-ZDUSSCGKSA-N 0 0 375.389 -1.289 20 50 GAGDRN O=C(CN1CCN2C(=O)NC(=O)[C@H]2C1)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826411339 948249184 /nfs/dbraw/zinc/24/91/84/948249184.db2.gz VKLDPNKTMCCFGN-LLVKDONJSA-N 0 0 399.371 -2.136 20 50 GAGDRN O=C(CN1CCN2C(=O)NC(=O)[C@@H]2C1)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826411340 948249071 /nfs/dbraw/zinc/24/90/71/948249071.db2.gz VKLDPNKTMCCFGN-NSHDSACASA-N 0 0 399.371 -2.136 20 50 GAGDRN O=C(CN1CCN(C(=O)CO)CC1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826411374 608455763 /nfs/dbraw/zinc/45/57/63/608455763.db2.gz WHTUNZVJIPKXQR-UHFFFAOYSA-N 0 0 388.388 -2.236 20 50 GAGDRN O=C(CN1CCN2C(=O)CC[C@@H]2C1)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826411461 608259646 /nfs/dbraw/zinc/25/96/46/608259646.db2.gz ZFFYADOPNNWRLV-CYBMUJFWSA-N 0 0 384.400 -1.066 20 50 GAGDRN O=C(CN1CCN2C(=O)CC[C@H]2C1)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826411462 608260070 /nfs/dbraw/zinc/26/00/70/608260070.db2.gz ZFFYADOPNNWRLV-ZDUSSCGKSA-N 0 0 384.400 -1.066 20 50 GAGDRN O=C(COC(=O)CN1CCOCC1)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826415407 948255270 /nfs/dbraw/zinc/25/52/70/948255270.db2.gz DYKFAAPXCKZAIC-UHFFFAOYSA-N 0 0 389.372 -1.497 20 50 GAGDRN O=C(COC(=O)CN1CCOCC1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826415893 948257192 /nfs/dbraw/zinc/25/71/92/948257192.db2.gz XHATZQJGRPSVCE-UHFFFAOYSA-N 0 0 389.372 -1.497 20 50 GAGDRN O=C(NCCNC(=O)c1ccn[nH]1)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826437455 948292778 /nfs/dbraw/zinc/29/27/78/948292778.db2.gz MKYOQBSLVXQWHW-UHFFFAOYSA-N 0 0 384.360 -1.036 20 50 GAGDRN O=C(NCCNC(=O)c1ccn[nH]1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826437492 609598913 /nfs/dbraw/zinc/59/89/13/609598913.db2.gz NQZYTVJLIIKUCI-UHFFFAOYSA-N 0 0 384.360 -1.036 20 50 GAGDRN C[NH+](C)CCN1C[C@H](C(=O)NNC(=O)NC2CCN(C(=O)[O-])CC2)CC1=O ZINC000828029897 603809182 /nfs/dbraw/zinc/80/91/82/603809182.db2.gz CLQFWIFTCCJCJT-LLVKDONJSA-N 0 0 384.437 -1.131 20 50 GAGDRN C[NH+](C)CCN1C[C@@H](C(=O)NNC(=O)NC2CCN(C(=O)[O-])CC2)CC1=O ZINC000828029900 603809281 /nfs/dbraw/zinc/80/92/81/603809281.db2.gz CLQFWIFTCCJCJT-NSHDSACASA-N 0 0 384.437 -1.131 20 50 GAGDRN CC(=O)c1cn(CC(=O)NNC(=O)COc2ccc(-c3nn[nH]n3)cc2)nn1 ZINC001573558553 946940995 /nfs/dbraw/zinc/94/09/95/946940995.db2.gz MTESBURTQLYOIX-UHFFFAOYSA-N 0 0 385.344 -1.113 20 50 GAGDRN C[C@@H]1C[N@@H+](CCC(=O)NNC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)C[C@H](C)O1 ZINC001594509727 985783261 /nfs/dbraw/zinc/78/32/61/985783261.db2.gz YQFAGEMMALTNTR-FRRDWIJNSA-N 0 0 384.433 -1.044 20 50 GAGDRN C[C@@H]1C[NH+](CCC(=O)NNC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)C[C@@H](C)O1 ZINC001594509728 985782238 /nfs/dbraw/zinc/78/22/38/985782238.db2.gz YQFAGEMMALTNTR-JHJVBQTASA-N 0 0 384.433 -1.044 20 50 GAGDRN C[C@@H]1C[NH+](CCC(=O)NNC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)C[C@@H](C)O1 ZINC001594509729 985782626 /nfs/dbraw/zinc/78/26/26/985782626.db2.gz YQFAGEMMALTNTR-UPJWGTAASA-N 0 0 384.433 -1.044 20 50 GAGDRN C[C@@H]1C[N@@H+](CCC(=O)NNC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)C[C@H](C)O1 ZINC001594509730 985782936 /nfs/dbraw/zinc/78/29/36/985782936.db2.gz YQFAGEMMALTNTR-XQQFMLRXSA-N 0 0 384.433 -1.044 20 50 GAGDRN C[C@@H]1C[N@@H+](CCC(=O)NNC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)C[C@H](C)O1 ZINC001603460842 973293899 /nfs/dbraw/zinc/29/38/99/973293899.db2.gz KKXFIIURSKZIEI-FRRDWIJNSA-N 0 0 384.433 -1.044 20 50 GAGDRN C[C@@H]1C[NH+](CCC(=O)NNC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)C[C@@H](C)O1 ZINC001603460843 973294387 /nfs/dbraw/zinc/29/43/87/973294387.db2.gz KKXFIIURSKZIEI-JHJVBQTASA-N 0 0 384.433 -1.044 20 50 GAGDRN C[C@@H]1C[NH+](CCC(=O)NNC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)C[C@@H](C)O1 ZINC001603460844 973294364 /nfs/dbraw/zinc/29/43/64/973294364.db2.gz KKXFIIURSKZIEI-UPJWGTAASA-N 0 0 384.433 -1.044 20 50 GAGDRN C[C@@H]1C[N@@H+](CCC(=O)NNC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)C[C@H](C)O1 ZINC001603460845 973294458 /nfs/dbraw/zinc/29/44/58/973294458.db2.gz KKXFIIURSKZIEI-XQQFMLRXSA-N 0 0 384.433 -1.044 20 50 GAGDRN