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/nfs/dbraw/zinc/35/01/06/571350106.db2.gz DWNWPWRHBGMYTA-SFHVURJKSA-N 0 1 362.518 1.960 50 0 FDAAMN Cc1cccc(=O)n1CCC(=O)NCCc1nc(-c2cccnc2)n[nH]1 ZINC000670452362 571352698 /nfs/dbraw/zinc/35/26/98/571352698.db2.gz RCYHJOUCEZSGGT-UHFFFAOYSA-N 0 1 352.398 1.086 50 0 FDAAMN Cc1cccc(=O)n1CCC(=O)NCCc1n[nH]c(-c2cccnc2)n1 ZINC000670452362 571352699 /nfs/dbraw/zinc/35/26/99/571352699.db2.gz RCYHJOUCEZSGGT-UHFFFAOYSA-N 0 1 352.398 1.086 50 0 FDAAMN CC[C@H](CO)N1CCN(Cc2nc3ccc(Cl)cc3c(=O)[nH]2)CC1 ZINC000072797816 671395989 /nfs/dbraw/zinc/39/59/89/671395989.db2.gz FZEYBCBXIXZGRX-CYBMUJFWSA-N 0 1 350.850 1.877 50 0 FDAAMN Cc1nc(C2CCN(C3CCOCC3)CC2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000096149836 671524803 /nfs/dbraw/zinc/52/48/03/671524803.db2.gz SFDSJHFYVOSSHG-INIZCTEOSA-N 0 1 368.503 1.305 50 0 FDAAMN CCN1CCN([C@@H]2CCN(C(=O)c3cc(C)nc4c3cnn4C)C2)CC1 ZINC000175592174 771650185 /nfs/dbraw/zinc/65/01/85/771650185.db2.gz CBHIHCCYPATOJA-OAHLLOKOSA-N 0 1 356.474 1.129 50 0 FDAAMN CC(C)Cn1nc2n(c1=O)CCN(C(=O)c1ccn[nH]1)[C@@H]2c1ccccc1 ZINC000675013452 795218262 /nfs/dbraw/zinc/21/82/62/795218262.db2.gz FAPRHORWLSXOAQ-MRXNPFEDSA-N 0 1 366.425 1.669 50 0 FDAAMN Cn1nccc1[C@H]1[C@H](CNC(=O)C2CCC(C(=O)[O-])CC2)CCC[N@H+]1C ZINC000888096142 808168459 /nfs/dbraw/zinc/16/84/59/808168459.db2.gz MCMIXZRLDMXMOK-UMPYDWHISA-N 0 1 362.474 1.810 50 0 FDAAMN Cn1c(CO)nnc1C1CCN(Cc2cncn2Cc2ccccc2)CC1 ZINC000252493164 810452407 /nfs/dbraw/zinc/45/24/07/810452407.db2.gz NAPSTPRLHRWWCG-UHFFFAOYSA-N 0 1 366.469 1.932 50 0 FDAAMN Cc1cc(C(=O)N2CC[C@H](Cc3nc(-c4cccnc4)n[nH]3)C2)nn1C ZINC000169784134 864514632 /nfs/dbraw/zinc/51/46/32/864514632.db2.gz QXDYALYGGFFRET-CYBMUJFWSA-N 0 1 351.414 1.613 50 0 FDAAMN Cc1cc(C(=O)N2CC[C@H](Cc3n[nH]c(-c4cccnc4)n3)C2)nn1C ZINC000169784134 864514640 /nfs/dbraw/zinc/51/46/40/864514640.db2.gz QXDYALYGGFFRET-CYBMUJFWSA-N 0 1 351.414 1.613 50 0 FDAAMN O=C(CN1CCC[C@H](CN2CCOCC2)C1)N1CC(=O)Nc2ccccc21 ZINC000069803002 891605520 /nfs/dbraw/zinc/60/55/20/891605520.db2.gz JUVHEKZTXRZCLN-MRXNPFEDSA-N 0 1 372.469 1.016 50 0 FDAAMN CNC(=O)C[C@H]1c2c(c(Br)c3c(c2OC)OCO3)CCN1C ZINC000823819876 922074411 /nfs/dbraw/zinc/07/44/11/922074411.db2.gz OBAKWOQEFKIBDM-VIFPVBQESA-N 0 1 371.231 1.852 50 0 FDAAMN O=C(CCn1cccn1)N1CCC2(CC1)CN([C@H]1CCSC1)CCO2 ZINC000827921038 924776171 /nfs/dbraw/zinc/77/61/71/924776171.db2.gz GBAVLKZNBYXFEV-INIZCTEOSA-N 0 1 364.515 1.472 50 0 FDAAMN O=S(=O)(c1cccc2nsnc21)N1CCC[C@@H](c2nc[nH]n2)C1 ZINC000828391840 924885391 /nfs/dbraw/zinc/88/53/91/924885391.db2.gz JZCFIMBILBMMBE-SECBINFHSA-N 0 1 350.429 1.378 50 0 FDAAMN COCCN1C(=O)N(C)C(=O)[C@]12CCN(Cc1cc(F)ccc1F)C2 ZINC000581782923 927575252 /nfs/dbraw/zinc/57/52/52/927575252.db2.gz JTBCPUFZZVYULH-QGZVFWFLSA-N 0 1 353.369 1.450 50 0 FDAAMN Cc1nn(C)c(N)c1C(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000585080913 943800022 /nfs/dbraw/zinc/80/00/22/943800022.db2.gz OXSYELVHGKFXNB-LBPRGKRZSA-N 0 1 374.464 1.693 50 0 FDAAMN COc1ccc(/C=C/C(=O)N2CC(N3CCC(C(N)=O)CC3)C2)cc1OC ZINC000585324426 952874933 /nfs/dbraw/zinc/87/49/33/952874933.db2.gz ORMCZEACGRPHEB-GQCTYLIASA-N 0 1 373.453 1.125 50 0 FDAAMN Cc1nn[nH]c1C(=O)N1CCC[C@H](CNC(=O)c2ccc3[nH]ccc3c2)C1 ZINC000952860272 960185619 /nfs/dbraw/zinc/18/56/19/960185619.db2.gz KOZZGCHLSBNGBT-CYBMUJFWSA-N 0 1 366.425 1.877 50 0 FDAAMN NC(=O)CN1CCC[C@@H](C(=O)NCCOCc2ccc(Cl)cc2)C1 ZINC000952969305 960260424 /nfs/dbraw/zinc/26/04/24/960260424.db2.gz SQNQKKQIEZICOB-CQSZACIVSA-N 0 1 353.850 1.170 50 0 FDAAMN COc1cccc([C@@H]2CCCCN2C(=O)[C@H]2CCCN(CC(N)=O)C2)c1 ZINC000952975491 960270365 /nfs/dbraw/zinc/27/03/65/960270365.db2.gz YVBUDWVJNRGWBY-WMZOPIPTSA-N 0 1 359.470 1.946 50 0 FDAAMN CCn1cc(C(=O)NCC2CCN(CCn3cc(Cl)cn3)CC2)cn1 ZINC000952977702 960274354 /nfs/dbraw/zinc/27/43/54/960274354.db2.gz OVELGAQFRSVVRQ-UHFFFAOYSA-N 0 1 364.881 1.895 50 0 FDAAMN NC(=O)CN1CCC[C@@H](C(=O)NCC2(c3ccc(F)cc3)CCCC2)C1 ZINC000952986957 960311111 /nfs/dbraw/zinc/31/11/11/960311111.db2.gz CEHWOLIEIRJWPS-OAHLLOKOSA-N 0 1 361.461 1.951 50 0 FDAAMN O=C([O-])c1ccc(C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)nc1 ZINC000642217021 975291622 /nfs/dbraw/zinc/29/16/22/975291622.db2.gz RYEIKHUIXAPNDG-UHFFFAOYSA-N 0 1 354.410 1.332 50 0 FDAAMN CCc1nc([C@@H]2CN(C(=O)c3ccncc3C(F)(F)F)CCO2)n[nH]1 ZINC000193098008 178147108 /nfs/dbraw/zinc/14/71/08/178147108.db2.gz QHCIEOZSCLRRFB-NSHDSACASA-N 0 1 355.320 1.995 50 0 FDAAMN Cc1nc([C@@H](C)NC(=O)Nc2cccc(N3C(=O)CN(C)C3=O)c2)n[nH]1 ZINC000299793773 210036672 /nfs/dbraw/zinc/03/66/72/210036672.db2.gz HLRRRYKUWUSSTG-SECBINFHSA-N 0 1 357.374 1.394 50 0 FDAAMN Cc1ccc([C@H](C)CCN2CCn3nc(CNS(C)(=O)=O)cc3C2)o1 ZINC000299788726 210031737 /nfs/dbraw/zinc/03/17/37/210031737.db2.gz XMLFAIMYOBQARW-CYBMUJFWSA-N 0 1 366.487 1.843 50 0 FDAAMN Cc1cc(C)n2nc(CC(=O)NC[C@@H]3Cc4ccccc4CN3C)nc2n1 ZINC000299787916 210028361 /nfs/dbraw/zinc/02/83/61/210028361.db2.gz TZBAIBMJHVTPQX-KRWDZBQOSA-N 0 1 364.453 1.457 50 0 FDAAMN Cc1nc2ccc(NC(=O)N3CCC[C@@H](C(=O)N4CCOCC4)C3)cc2[nH]1 ZINC000299784143 210026836 /nfs/dbraw/zinc/02/68/36/210026836.db2.gz SLLWDCGJYMTYBG-CQSZACIVSA-N 0 1 371.441 1.974 50 0 FDAAMN CN(C)C(=O)NCC(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCCC1 ZINC000299780098 210025067 /nfs/dbraw/zinc/02/50/67/210025067.db2.gz BJXJMTODNNUDFA-HNNXBMFYSA-N 0 1 352.866 1.864 50 0 FDAAMN Cc1cc(CN(C)C(=O)Nc2cccc(C(=O)N3CCN(C)CC3)c2)n[nH]1 ZINC000299776133 210021224 /nfs/dbraw/zinc/02/12/24/210021224.db2.gz NOWSKLZTRGYIDL-UHFFFAOYSA-N 0 1 370.457 1.770 50 0 FDAAMN CCCCN1CCn2nc(CNC(=O)c3cn4cccnc4n3)cc2C1 ZINC000299767562 210014261 /nfs/dbraw/zinc/01/42/61/210014261.db2.gz HMCCHFRQKLTVEN-UHFFFAOYSA-N 0 1 353.430 1.472 50 0 FDAAMN COc1c[nH]c(CN(C)CCNc2cc([C@@H]3CCOC3)ncn2)cc1=O ZINC000299758440 210011064 /nfs/dbraw/zinc/01/10/64/210011064.db2.gz PRWHKEDTICYTGR-CYBMUJFWSA-N 0 1 359.430 1.634 50 0 FDAAMN CCn1nc(CO)c2c1CCN(C[C@@H]1CC(=O)N(c3ccccc3)C1)C2 ZINC000299756774 210009639 /nfs/dbraw/zinc/00/96/39/210009639.db2.gz FMFSKBKGHPYUSV-HNNXBMFYSA-N 0 1 354.454 1.807 50 0 FDAAMN COc1ccc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)N(C)C3=O)cc1OCC(=O)[O-] ZINC000534590749 540387049 /nfs/dbraw/zinc/38/70/49/540387049.db2.gz WVTGZUJSHSHRGT-CABCVRRESA-N 0 1 362.426 1.601 50 0 FDAAMN O=C(c1cccc(-c2ccc3nc(CO)[nH]c3c2)c1)N1CC[C@@](O)(CO)C1 ZINC000534633070 540392134 /nfs/dbraw/zinc/39/21/34/540392134.db2.gz XVRGINSLSZXSGC-FQEVSTJZSA-N 0 1 367.405 1.292 50 0 FDAAMN O=C(NCc1n[nH]c(-c2ccncc2)n1)N1CCC[C@]2(CNC(=O)O2)CC1 ZINC000534659082 540395785 /nfs/dbraw/zinc/39/57/85/540395785.db2.gz PKNHRHRGEDMEOB-QGZVFWFLSA-N 0 1 371.401 1.041 50 0 FDAAMN O=C(NCc1n[nH]c(-c2ccncc2)n1)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000534669715 540397929 /nfs/dbraw/zinc/39/79/29/540397929.db2.gz CXADFSUVKZJQPP-CYBMUJFWSA-N 0 1 352.402 1.679 50 0 FDAAMN COCCn1c([O-])c([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)c(=O)[nH]c1=S ZINC000016975391 220200300 /nfs/dbraw/zinc/20/03/00/220200300.db2.gz QJYKODIAYAYSDI-OAHLLOKOSA-N 0 1 372.450 1.974 50 0 biogenic FDAAMN Cc1cc(C)n2ncc(CN3CCC(Cn4cc(CO)nn4)CC3)c2n1 ZINC000019225915 220240735 /nfs/dbraw/zinc/24/07/35/220240735.db2.gz UITRZINFRCVJJI-UHFFFAOYSA-N 0 1 355.446 1.342 50 0 FDAAMN CCn1c(C)cc(O)c([C@@H](c2ccccc2)N2CCN(CCO)CC2)c1=O ZINC000022696831 211361654 /nfs/dbraw/zinc/36/16/54/211361654.db2.gz ZYRXMPWZUPRJAZ-HXUWFJFHSA-N 0 1 371.481 1.582 50 0 FDAAMN CCCN1CCN(C(=O)Cn2ncc3c4ccccc4n(C)c3c2=O)CC1 ZINC000020415706 211278763 /nfs/dbraw/zinc/27/87/63/211278763.db2.gz IWQLOEGJYZEYOX-UHFFFAOYSA-N 0 1 367.453 1.442 50 0 FDAAMN COC(=O)c1c2c(sc1NC(=O)CCN1CCN(C)CC1)CCC2 ZINC000019902547 211261837 /nfs/dbraw/zinc/26/18/37/211261837.db2.gz FYWWNBPHBMMFTL-UHFFFAOYSA-N 0 1 351.472 1.599 50 0 FDAAMN C(CCNc1nc2nonc2nc1N1CCCC1)CCN1CCOCC1 ZINC000019229132 211208627 /nfs/dbraw/zinc/20/86/27/211208627.db2.gz SYCMRHRSPNZLMA-UHFFFAOYSA-N 0 1 361.450 1.527 50 0 FDAAMN Cc1cc(NC(=O)C(=O)NC[C@@H](c2cn(C)c3ccccc23)N(C)C)no1 ZINC000021698047 220363946 /nfs/dbraw/zinc/36/39/46/220363946.db2.gz QOJUGSIQBHAREG-INIZCTEOSA-N 0 1 369.425 1.832 50 0 FDAAMN Cc1cc(NCCc2nc(-c3ccccn3)no2)nc(N2CCOCC2)n1 ZINC000065376199 221206701 /nfs/dbraw/zinc/20/67/01/221206701.db2.gz JQIYYKWNLWGNTB-UHFFFAOYSA-N 0 1 367.413 1.721 50 0 FDAAMN COc1ccc(C[N@H+]2CCc3nc(C)n(C)c(=O)c3CC2)cc1C(=O)[O-] ZINC000065386806 221208940 /nfs/dbraw/zinc/20/89/40/221208940.db2.gz UIVGEQBPFIJROZ-UHFFFAOYSA-N 0 1 357.410 1.396 50 0 FDAAMN CCn1ncc(Cl)c1C(=O)NCc1cccnc1N1CCN(C)CC1 ZINC000067513625 221257114 /nfs/dbraw/zinc/25/71/14/221257114.db2.gz JEENDHVMLACQIV-UHFFFAOYSA-N 0 1 362.865 1.633 50 0 FDAAMN CCN1CCN(C(=O)c2cc(COc3cccc(OC)c3)n[nH]2)[C@@H](C)C1=O ZINC000067603763 221261360 /nfs/dbraw/zinc/26/13/60/221261360.db2.gz CNFUKJFHRIANKR-ZDUSSCGKSA-N 0 1 372.425 1.690 50 0 FDAAMN C[N@@H+]1[C@@H](c2cccc(F)c2F)[C@@H](C(=O)N2CCC(O)CC2)C[C@H]1C(=O)[O-] ZINC000067650518 221267116 /nfs/dbraw/zinc/26/71/16/221267116.db2.gz ZIDAYOCYAGKJPJ-NOLJZWGESA-N 0 1 368.380 1.394 50 0 FDAAMN COc1cccc(CN2CCC[C@](O)(CNCc3cc(C)n[nH]3)C2=O)c1 ZINC000067834100 221291481 /nfs/dbraw/zinc/29/14/81/221291481.db2.gz QTGRMCJZHSIKRD-IBGZPJMESA-N 0 1 358.442 1.370 50 0 FDAAMN Cc1ccc2nc(COCC(=O)N3CC[C@@]4(C3)CCCN(C)C4=O)[nH]c2c1 ZINC000067966294 221309527 /nfs/dbraw/zinc/30/95/27/221309527.db2.gz IZVCLWJPUXKFGH-HXUWFJFHSA-N 0 1 370.453 1.859 50 0 FDAAMN COc1ccc(-n2cccn2)c(CN2CCC3(CC2)C(=O)NCCN3C)c1 ZINC000067974673 221310032 /nfs/dbraw/zinc/31/00/32/221310032.db2.gz ZHYJJAZXEJLGHY-UHFFFAOYSA-N 0 1 369.469 1.277 50 0 FDAAMN COC(=O)c1ccc(OC[C@@H](O)CN(C)Cc2c(C)nn(C)c2C)cc1 ZINC000071282700 221338632 /nfs/dbraw/zinc/33/86/32/221338632.db2.gz FGXZGJJOVBGRGK-INIZCTEOSA-N 0 1 361.442 1.695 50 0 FDAAMN CN(C)c1nc2c(c(NCCc3nc(-c4cccnc4)n[nH]3)n1)CCNC2 ZINC000071759447 221366635 /nfs/dbraw/zinc/36/66/35/221366635.db2.gz DOXVEIKLIVTUEY-UHFFFAOYSA-N 0 1 365.445 1.023 50 0 FDAAMN Nc1cc(N2CCC3(CC2)c2[nH]cnc2CCN3C(=O)C2CCC2)ncn1 ZINC000091656743 132203061 /nfs/dbraw/zinc/20/30/61/132203061.db2.gz GYDMEECGENSGBA-UHFFFAOYSA-N 0 1 367.457 1.462 50 0 FDAAMN CNc1cc(C)nc(N2CCC[C@@H](c3nnc(Cn4ccnc4)n3C)C2)n1 ZINC000095386165 132210235 /nfs/dbraw/zinc/21/02/35/132210235.db2.gz NHMNTAZECHTLHB-CQSZACIVSA-N 0 1 367.461 1.584 50 0 FDAAMN COc1ccc(NC(=O)C2CCN(c3ncnc4[nH]cnc43)CC2)cn1 ZINC000095474779 132211420 /nfs/dbraw/zinc/21/14/20/132211420.db2.gz MHDNCTSZKCDONP-UHFFFAOYSA-N 0 1 353.386 1.612 50 0 FDAAMN C[C@@H](O)CN1CCN(c2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)[C@H](C)C1 ZINC000170086239 132263984 /nfs/dbraw/zinc/26/39/84/132263984.db2.gz BJURPTWZAIJLLU-ZIAGYGMSSA-N 0 1 368.441 1.000 50 0 FDAAMN Nc1nc(C2CC(O)C2)cc(N2CCN(Cc3ccc(F)cc3)C(=O)C2)n1 ZINC000220410117 132276060 /nfs/dbraw/zinc/27/60/60/132276060.db2.gz YTAFJNSBZMJPEX-UHFFFAOYSA-N 0 1 371.416 1.285 50 0 FDAAMN Cc1ccc(NC(=O)C(=O)NCc2cccnc2N2CCN(C)CC2)cc1 ZINC000066888421 136136914 /nfs/dbraw/zinc/13/69/14/136136914.db2.gz ZGCZFCMKEXGPAE-UHFFFAOYSA-N 0 1 367.453 1.397 50 0 FDAAMN CCN1CCN(c2nc(-c3ccccn3)nc3c2CCN(C(C)=O)C3)CC1 ZINC000071575964 136139448 /nfs/dbraw/zinc/13/94/48/136139448.db2.gz 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C[C@@H]1CN(CC(=O)NC2(c3ccc4c(c3)OCCO4)CCCC2)C[C@H]1CO ZINC000190846595 1008744921 /nfs/dbraw/zinc/74/49/21/1008744921.db2.gz DEHUUGRBPKDGGT-CVEARBPZSA-N 0 1 374.481 1.904 50 0 FDAAMN COc1ccnc(N2CCN(C(=O)c3cccc4c3OCCO4)CC2)c1 ZINC000264213999 179050791 /nfs/dbraw/zinc/05/07/91/179050791.db2.gz UJVQXHXEKQZIPX-UHFFFAOYSA-N 0 1 355.394 1.824 50 0 FDAAMN O=c1[nH]c2ccc(S(=O)(=O)N3CC[C@H](N4CCCCC4)C3)cc2[nH]1 ZINC000264559607 179136048 /nfs/dbraw/zinc/13/60/48/179136048.db2.gz FJNIBNOHXLAVAG-LBPRGKRZSA-N 0 1 350.444 1.105 50 0 FDAAMN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1N[C@@H]1CCN(c2ccccc2)C1=O ZINC000252540567 222981393 /nfs/dbraw/zinc/98/13/93/222981393.db2.gz PMZOHFPHDANUMC-ARFHVFGLSA-N 0 1 351.472 1.242 50 0 FDAAMN Cc1nonc1CC(=O)N1C[C@H]2C[N@H+](C3CCCCC3)C[C@@]2(C(=O)[O-])C1 ZINC000534583469 540385058 /nfs/dbraw/zinc/38/50/58/540385058.db2.gz UGCHEBVKQKPLKW-FZKQIMNGSA-N 0 1 362.430 1.098 50 0 FDAAMN C[C@@H]1CCCCN1C1CN(C(=O)c2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000299778018 223092228 /nfs/dbraw/zinc/09/22/28/223092228.db2.gz LPDUFEHKJNBMCV-MRXNPFEDSA-N 0 1 371.481 1.858 50 0 FDAAMN COc1ccc(-c2noc(C(=O)NCCN3CCCCC3)n2)cc1OC ZINC000012409330 219990956 /nfs/dbraw/zinc/99/09/56/219990956.db2.gz UPXGTXHGINOVJL-UHFFFAOYSA-N 0 1 360.414 1.970 50 0 FDAAMN COc1cccc(CN2CCC[C@H](NC(=O)CCN3CCCC3=O)C2)c1 ZINC000012702451 220017866 /nfs/dbraw/zinc/01/78/66/220017866.db2.gz BWXSLJPQSZYZMS-KRWDZBQOSA-N 0 1 359.470 1.788 50 0 FDAAMN COCCCN1C(=O)NC(=O)C(=C2C[C@H](c3ccc(OC)cc3)NN2)C1=O ZINC000017043594 220200653 /nfs/dbraw/zinc/20/06/53/220200653.db2.gz MRWVNXLRVXIBFA-FARYLTDUSA-N 0 1 374.397 1.444 50 0 FDAAMN CCN(C)[C@H](C(=O)N1CCC(CNS(C)(=O)=O)CC1)c1ccccc1 ZINC000287113009 183215780 /nfs/dbraw/zinc/21/57/80/183215780.db2.gz VZKGNIWOYJRHBF-KRWDZBQOSA-N 0 1 367.515 1.467 50 0 FDAAMN COC(=O)C1=C(CN2CCCCC2)NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000020051458 220310851 /nfs/dbraw/zinc/31/08/51/220310851.db2.gz VCRMVQDTPGLOTR-KRWDZBQOSA-N 0 1 359.426 1.962 50 0 FDAAMN COC(=O)CNC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(OC)cc1F ZINC000020739883 220340670 /nfs/dbraw/zinc/34/06/70/220340670.db2.gz OOKPXSNMWOBAPQ-MRXNPFEDSA-N 0 1 362.361 1.388 50 0 FDAAMN COC(=O)[C@H](C)NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cccc(OC)c1 ZINC000020762900 220340698 /nfs/dbraw/zinc/34/06/98/220340698.db2.gz LOTQOMOEKPMTDI-ZBEGNZNMSA-N 0 1 358.398 1.637 50 0 biogenic FDAAMN COC(=O)CNC(=O)N1CCc2nc[nH]c2[C@H]1c1cccc(F)c1F ZINC000020732881 220340858 /nfs/dbraw/zinc/34/08/58/220340858.db2.gz GFTOJZGZBJHFOK-OAHLLOKOSA-N 0 1 350.325 1.518 50 0 FDAAMN Cn1cccc1[C@@H](CNS(=O)(=O)c1cccs1)N1CCN(C)CC1 ZINC000021154831 220353284 /nfs/dbraw/zinc/35/32/84/220353284.db2.gz GSDKMCAILLZJSU-OAHLLOKOSA-N 0 1 368.528 1.354 50 0 FDAAMN CN1CCN(CCCN2C(=O)CS[C@H]2c2ccc3c(c2)OCO3)CC1 ZINC000022576999 220390462 /nfs/dbraw/zinc/39/04/62/220390462.db2.gz TWMGUAFWPIWXTQ-SFHVURJKSA-N 0 1 363.483 1.627 50 0 FDAAMN O=C([O-])[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH+]1CCNCC1 ZINC000022809447 220399706 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COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2-n2cnnn2)cc1 ZINC000059006967 221124033 /nfs/dbraw/zinc/12/40/33/221124033.db2.gz DQILEMUGLJMANY-UHFFFAOYSA-N 0 1 359.367 1.250 50 0 FDAAMN CCC[C@@H]1CCN(Cc2cn(C3CCN(S(=O)(=O)CC)CC3)nn2)C1 ZINC000063832687 221144164 /nfs/dbraw/zinc/14/41/64/221144164.db2.gz JYTPJUAOXIUIMJ-OAHLLOKOSA-N 0 1 369.535 1.887 50 0 FDAAMN CCc1cc(N(C)CC2(CO)CCOCC2)nc(N2CCOCC2)n1 ZINC000065375404 221206826 /nfs/dbraw/zinc/20/68/26/221206826.db2.gz UAWYWPZNILRGJE-UHFFFAOYSA-N 0 1 350.463 1.101 50 0 FDAAMN CCN(CC)Cc1cc(C(=O)N2CCN3CCN(C)C(=O)[C@@H]3C2)c(C)o1 ZINC000065404549 221213177 /nfs/dbraw/zinc/21/31/77/221213177.db2.gz NHYVTAVRPAGEHT-KRWDZBQOSA-N 0 1 362.474 1.028 50 0 FDAAMN Cc1cc(C)n(-c2cccc(C(=O)N3CCN4CCN(C)C[C@@H]4C3)c2)n1 ZINC000065433927 221218875 /nfs/dbraw/zinc/21/88/75/221218875.db2.gz PSXQREGCXLPCEW-LJQANCHMSA-N 0 1 353.470 1.561 50 0 FDAAMN CCOC(=O)NCCC(=O)Nc1nc(-c2ccc(OC)cc2OC)n[nH]1 ZINC000065585692 221234698 /nfs/dbraw/zinc/23/46/98/221234698.db2.gz 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221283285 /nfs/dbraw/zinc/28/32/85/221283285.db2.gz VWNWYEQKMARMNM-UHFFFAOYSA-N 0 1 373.505 1.668 50 0 FDAAMN CN(Cc1cnn(C)c1)C[C@]1(O)CCCN(CCCc2ccccc2)C1=O ZINC000067770186 221283551 /nfs/dbraw/zinc/28/35/51/221283551.db2.gz CDPITQGDMNZUPD-OAQYLSRUSA-N 0 1 370.497 1.838 50 0 FDAAMN CCn1cc(NC(=O)c2cccc(CN3CC[C@@H](N(C)C(C)=O)C3)c2)nn1 ZINC000067787394 221285728 /nfs/dbraw/zinc/28/57/28/221285728.db2.gz OUEZXSRTFMKPPB-QGZVFWFLSA-N 0 1 370.457 1.603 50 0 FDAAMN CCn1c(=O)n(C)nc1C1CCN(Cc2cnn3c2nc(C)cc3C)CC1 ZINC000067919658 221303802 /nfs/dbraw/zinc/30/38/02/221303802.db2.gz CFFHVWYCCQZEPL-UHFFFAOYSA-N 0 1 369.473 1.641 50 0 FDAAMN CCn1cc(C(=O)NCc2n[nH]c3c2CCC3)c(=O)c2ccc(C)nc21 ZINC000067934749 221306317 /nfs/dbraw/zinc/30/63/17/221306317.db2.gz FPWYWJDYFLGDEM-UHFFFAOYSA-N 0 1 351.410 1.867 50 0 FDAAMN Cc1n[nH]c(CCC(=O)NCc2cccnc2N2CCN(C)CC2)c1C ZINC000067983333 221313335 /nfs/dbraw/zinc/31/33/35/221313335.db2.gz YWGRVVXECUNAAH-UHFFFAOYSA-N 0 1 356.474 1.422 50 0 FDAAMN CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)N1CC[NH+](C[C@@H]2Cc3ccccc3O2)CC1 ZINC000071279481 221337161 /nfs/dbraw/zinc/33/71/61/221337161.db2.gz DIGCUCQGFAZLBE-UAGQMJEPSA-N 0 1 358.438 1.491 50 0 FDAAMN Cc1nn(C)c(C)c1C[N@@H+](C)C[C@@H](CC(=O)Nc1cccc(O)c1)C(=O)[O-] ZINC000071281541 221337837 /nfs/dbraw/zinc/33/78/37/221337837.db2.gz BNMZBURHBIQGRJ-CQSZACIVSA-N 0 1 374.441 1.904 50 0 FDAAMN CC(=O)N1CCc2c(nc(-c3ccncc3)nc2NCc2nnc[nH]2)C1 ZINC000071749411 221361379 /nfs/dbraw/zinc/36/13/79/221361379.db2.gz RJBKWSUQDHBWEM-UHFFFAOYSA-N 0 1 350.386 1.173 50 0 FDAAMN CCn1ccnc1C[N@H+]1CC2(C[C@@H]1C(=O)[O-])CCN(C(=O)C1CC1)CC2 ZINC000072411757 221504295 /nfs/dbraw/zinc/50/42/95/221504295.db2.gz ZHNMMBYULVLNGL-OAHLLOKOSA-N 0 1 360.458 1.581 50 0 FDAAMN CS(=O)(=O)N1CCCC[C@@H]1CCNC(=O)Cc1[nH]nc2ccccc21 ZINC000299764273 533383090 /nfs/dbraw/zinc/38/30/90/533383090.db2.gz SOYJSYGVYFQSOZ-CYBMUJFWSA-N 0 1 364.471 1.426 50 0 FDAAMN CS(=O)(=O)N1CCC[N@@H+](CCCOc2ccc(C(=O)[O-])cc2)CC1 ZINC000299756712 533383943 /nfs/dbraw/zinc/38/39/43/533383943.db2.gz HWPNJCWXXCLXOE-UHFFFAOYSA-N 0 1 356.444 1.121 50 0 FDAAMN Cc1cc(C)cc(N2CCN(C(=O)CC[C@@H](C)N3CCOCC3)CC2=O)c1 ZINC000077455208 132186289 /nfs/dbraw/zinc/18/62/89/132186289.db2.gz NEUGCELTMAKCJA-GOSISDBHSA-N 0 1 373.497 1.980 50 0 FDAAMN Cc1cn2cc(C(=O)N3CCN(c4ncnc5[nH]cnc54)CC3)ccc2n1 ZINC000082121604 132196396 /nfs/dbraw/zinc/19/63/96/132196396.db2.gz IZASEEIFYCRQPC-UHFFFAOYSA-N 0 1 362.397 1.271 50 0 FDAAMN COc1ccccc1N1CCN(C(=O)[C@@H](C)N2CCC(C)CC2)CC1=O ZINC000082133454 132196778 /nfs/dbraw/zinc/19/67/78/132196778.db2.gz HBZDEYHJAFSHEC-MRXNPFEDSA-N 0 1 359.470 1.991 50 0 FDAAMN Cc1cc(N2CCC(NS(C)(=O)=O)CC2)nc(-c2ccccc2O)n1 ZINC000092046649 132205831 /nfs/dbraw/zinc/20/58/31/132205831.db2.gz CERGWRWIGMORRQ-UHFFFAOYSA-N 0 1 362.455 1.676 50 0 FDAAMN C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)Nc1ccccc1N1CCN(C)CC1 ZINC000095408305 132210848 /nfs/dbraw/zinc/21/08/48/132210848.db2.gz AKBWSZYMZCWJJM-LSDHHAIUSA-N 0 1 359.474 1.556 50 0 FDAAMN CC(C)(C(=O)[O-])c1c[nH+]c(NCC2CCOCC2)nc1N1CCOCC1 ZINC000097360286 132228802 /nfs/dbraw/zinc/22/88/02/132228802.db2.gz CNNUUANQJRVVEV-UHFFFAOYSA-N 0 1 364.446 1.514 50 0 FDAAMN Cc1cc(NC(=O)N[C@H]2CC(=O)N(C3CC3)C2)cc(N2CCN(C)CC2)c1 ZINC000242339256 132289421 /nfs/dbraw/zinc/28/94/21/132289421.db2.gz ZGHAJGOXLGIAHF-INIZCTEOSA-N 0 1 371.485 1.632 50 0 FDAAMN Cc1ccc(C(=O)[O-])c(N2CCn3nc(CNc4cnccn4)cc3C2)[nH+]1 ZINC000299765561 132298382 /nfs/dbraw/zinc/29/83/82/132298382.db2.gz BTQCUNJHDWJZDE-UHFFFAOYSA-N 0 1 365.397 1.707 50 0 FDAAMN C[C@H](O)CN1CCN(c2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)[C@H](C)C1 ZINC000225336180 132374613 /nfs/dbraw/zinc/37/46/13/132374613.db2.gz BJURPTWZAIJLLU-KGLIPLIRSA-N 0 1 368.441 1.000 50 0 FDAAMN COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c2cccnc2)c1 ZINC000002241886 132382844 /nfs/dbraw/zinc/38/28/44/132382844.db2.gz XTDZCSDUTSMFLP-UHFFFAOYSA-N 0 1 354.410 1.872 50 0 FDAAMN O=S(=O)(N[C@H]1CCCN(c2ncccn2)C1)c1c(F)cccc1F ZINC000056099889 136127575 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CCCNC(=O)CN1CCN(C(=O)c2cc(-c3ccc(C)cc3)[nH]n2)CC1 ZINC000032235440 519487454 /nfs/dbraw/zinc/48/74/54/519487454.db2.gz DOJMFFLLSZKIQE-UHFFFAOYSA-N 0 1 369.469 1.669 50 0 FDAAMN CCN1CCN(c2ncc(-c3cc(=O)[nH]c(N4CCCC4)n3)c(C)n2)CC1 ZINC000036235741 519618958 /nfs/dbraw/zinc/61/89/58/519618958.db2.gz VARRSJQVXCCWTH-UHFFFAOYSA-N 0 1 369.473 1.277 50 0 FDAAMN Cn1nc2nc(N3CCN(C)CC3)nc(-c3cccc(F)c3F)c2c1N ZINC000037360054 519630032 /nfs/dbraw/zinc/63/00/32/519630032.db2.gz LBRYFCNVGBAQBU-UHFFFAOYSA-N 0 1 359.384 1.643 50 0 FDAAMN O=S(=O)(c1ccccc1)N1CCCN(c2ncnc3[nH]cnc32)CC1 ZINC000057141472 522011129 /nfs/dbraw/zinc/01/11/29/522011129.db2.gz XKMJXRZSHSEJGD-UHFFFAOYSA-N 0 1 358.427 1.254 50 0 FDAAMN CN(C)c1nc2c(c(NCc3cc4ccc(F)cc4[nH]c3=O)n1)CCNC2 ZINC000071552191 522118533 /nfs/dbraw/zinc/11/85/33/522118533.db2.gz QDJXNAOXYFCVHA-UHFFFAOYSA-N 0 1 368.416 1.781 50 0 FDAAMN CCn1c(CC2CCN(C(=O)c3[nH]nc4ccccc43)CC2)n[nH]c1=O ZINC000071736140 522119264 /nfs/dbraw/zinc/11/92/64/522119264.db2.gz 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