smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(/C=C\c1ccc(O)c(O)c1)NCc1ccc(Cl)cn1 ZINC000588407357 777084362 /nfs/dbraw/zinc/08/43/62/777084362.db2.gz WSEQCHDSONLFCN-KXFIGUGUSA-N 0 0 304.733 2.476 10 10 DECERN O=C1/C(=C/c2cccc([N+](=O)[O-])c2)SC(=S)N1CCCO ZINC000016904803 182064004 /nfs/dbraw/zinc/06/40/04/182064004.db2.gz RERKLNMYVCQIHJ-FLIBITNWSA-N 0 0 324.383 2.178 10 10 DECERN Cn1cc(Br)cc1C(=O)NCCc1ccc(N)cc1 ZINC000063129773 184271999 /nfs/dbraw/zinc/27/19/99/184271999.db2.gz IDUQDGYEWXWPGJ-UHFFFAOYSA-N 0 0 322.206 2.342 10 10 DECERN C[C@@H](NC(=O)NCc1ccc2c(c1)CCCN2C)[C@@H]1CCCO1 ZINC000069719942 184839836 /nfs/dbraw/zinc/83/98/36/184839836.db2.gz GWNFIJVPTJZMME-DYVFJYSZSA-N 0 0 317.433 2.436 10 10 DECERN CCOC(=O)CC[C@@H](C)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000089689942 401957503 /nfs/dbraw/zinc/95/75/03/401957503.db2.gz AIZNASWAPDLDFO-CYBMUJFWSA-N 0 0 321.421 2.284 10 10 DECERN CC(=O)c1cc(Cl)cc(CN2CCCC[C@@]2(C)C(N)=O)c1O ZINC000185925208 402389558 /nfs/dbraw/zinc/38/95/58/402389558.db2.gz UJVIOOVHBPTKEH-INIZCTEOSA-N 0 0 324.808 2.478 10 10 DECERN Cc1nnc([C@H]2CN(Cc3cc(Cl)ccc3O)CCO2)[nH]1 ZINC000180110249 402607826 /nfs/dbraw/zinc/60/78/26/402607826.db2.gz KHBOOXOZEVNZSI-CYBMUJFWSA-N 0 0 308.769 2.046 10 10 DECERN CC(=O)NC1CN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)C1 ZINC000191499311 519648769 /nfs/dbraw/zinc/64/87/69/519648769.db2.gz QCRBEUOWNJQIJL-UHFFFAOYSA-N 0 0 311.385 2.055 10 10 DECERN COCCN(C[C@@H](O)C(F)(F)F)c1ccc(OC)c(OC)c1 ZINC000121628291 523729309 /nfs/dbraw/zinc/72/93/09/523729309.db2.gz KWGJKANELMKQPS-CYBMUJFWSA-N 0 0 323.311 2.080 10 10 DECERN Cn1nccc1CCC(=O)NCCCSc1nccs1 ZINC000186212235 633965045 /nfs/dbraw/zinc/96/50/45/633965045.db2.gz LSZUKFISLOQRTI-UHFFFAOYSA-N 0 0 310.448 2.108 10 10 DECERN O=C(NCCc1ccc(O)c(O)c1)c1scnc1C1CC1 ZINC000122805882 684118804 /nfs/dbraw/zinc/11/88/04/684118804.db2.gz WQZGQOYHMYQTME-UHFFFAOYSA-N 0 0 304.371 2.404 10 10 DECERN O=C(c1cccc(O)c1O)N1CCS[C@H](C(F)(F)F)C1 ZINC000721448170 777016306 /nfs/dbraw/zinc/01/63/06/777016306.db2.gz MTQFVWCHVNJYOL-VIFPVBQESA-N 0 0 307.293 2.218 10 10 DECERN [O-]c1c(F)cc(Br)cc1C[NH2+][C@]12C[C@H]1COC2 ZINC000715734743 792509316 /nfs/dbraw/zinc/50/93/16/792509316.db2.gz ABNHJWRIYDNTLS-UFBFGSQYSA-N 0 0 302.143 2.172 10 10 DECERN C[C@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)[C@@H]1CCCO1 ZINC000045683618 354260413 /nfs/dbraw/zinc/26/04/13/354260413.db2.gz XNOXTSIYVYLHKA-BBRMVZONSA-N 0 0 305.422 2.462 10 10 DECERN O=C([C@@H]1Nc2ccccc2[C@@H]2C=CC[C@H]21)N1CCn2cncc2C1 ZINC000072164119 284536313 /nfs/dbraw/zinc/53/63/13/284536313.db2.gz CXWVBRKPVPJPCT-YXJHDRRASA-N 0 0 320.396 2.379 10 10 DECERN C[C@H]1C[C@@H]1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000075982561 401775995 /nfs/dbraw/zinc/77/59/95/401775995.db2.gz HPJMBBSPPSKPDJ-BBRMVZONSA-N 0 0 303.406 2.073 10 10 DECERN O=C(NCc1ccc(N2CCCC2)cc1)N[C@H]1CCCC[C@H]1O ZINC000170896231 402539086 /nfs/dbraw/zinc/53/90/86/402539086.db2.gz DYAHWDVHADPCNQ-DLBZAZTESA-N 0 0 317.433 2.390 10 10 DECERN Cc1nnc([C@H]2CN(Cc3cc(Cl)cc(C)c3O)CCO2)[nH]1 ZINC000180612869 402621314 /nfs/dbraw/zinc/62/13/14/402621314.db2.gz ZFKKDRXIUWARCX-CYBMUJFWSA-N 0 0 322.796 2.354 10 10 DECERN C[C@@H]1CCOCCN1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000364054842 404300949 /nfs/dbraw/zinc/30/09/49/404300949.db2.gz HTZLJASDJPJQAP-CQSZACIVSA-N 0 0 317.433 2.389 10 10 DECERN Cc1ccc(C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c(O)c1O ZINC000182824775 526131419 /nfs/dbraw/zinc/13/14/19/526131419.db2.gz XFIGDWZHKAEASA-SJKOYZFVSA-N 0 0 305.374 2.173 10 10 DECERN COc1cc(O)c2c(c1)C(=O)c1c(O)c(C)c(C)c(O)c1C2=O ZINC000004098707 560196047 /nfs/dbraw/zinc/19/60/47/560196047.db2.gz LYCLASMOMOWSCE-UHFFFAOYSA-N 0 0 314.293 2.204 10 10 in-vitro DECERN CCN(CC)c1ccc(CNC(=O)c2c[nH]c(=O)cc2C)cc1 ZINC000177637777 625046789 /nfs/dbraw/zinc/04/67/89/625046789.db2.gz CPTXAXDMTCYMON-UHFFFAOYSA-N 0 0 313.401 2.460 10 10 DECERN Cn1cc(/C=C\C(=O)N(C[C@H]2CCCO2)c2ccncc2)cn1 ZINC000733970574 633306466 /nfs/dbraw/zinc/30/64/66/633306466.db2.gz ZRGFSFAJNALKHM-YIEVGGLXSA-N 0 0 312.373 2.041 10 10 DECERN CN(C)c1nc(CN2CCOc3cc(N(C)C)ccc32)ns1 ZINC000163192410 638585610 /nfs/dbraw/zinc/58/56/10/638585610.db2.gz NBIGOAUVWITWLQ-UHFFFAOYSA-N 0 0 319.434 2.069 10 10 DECERN COc1ccc(O)c([C@@H](C)NC(=O)NCc2cscn2)c1 ZINC000103515084 639767237 /nfs/dbraw/zinc/76/72/37/639767237.db2.gz RZQACMOUPCOUFS-SECBINFHSA-N 0 0 307.375 2.418 10 10 DECERN CC[C@@H]1CN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])CCO1 ZINC000029524542 646300370 /nfs/dbraw/zinc/30/03/70/646300370.db2.gz ADJXIBOSDOGVAW-VUDGCMKMSA-N 0 0 320.345 2.396 10 10 DECERN C[C@@H]([NH2+]Cc1cc(Br)cc(F)c1[O-])[C@H](C)CO ZINC000715779809 792511038 /nfs/dbraw/zinc/51/10/38/792511038.db2.gz UMXQACACBCBNSD-HTQZYQBOSA-N 0 0 306.175 2.400 10 10 DECERN CCS(=O)(=O)C1(C[NH2+]Cc2cccc(Cl)c2[O-])CC1 ZINC000703466760 1086499732 /nfs/dbraw/zinc/49/97/32/1086499732.db2.gz MTWCLEBTZSHQRI-UHFFFAOYSA-N 0 0 303.811 2.103 10 10 DECERN CCC(=O)NN1C(=O)/C(=C\c2cccc(F)c2)SC1=S ZINC000005241497 181220533 /nfs/dbraw/zinc/22/05/33/181220533.db2.gz MDOKGYBECBHRDO-JXMROGBWSA-N 0 0 310.375 2.468 10 10 DECERN CC[C@@H](Oc1ccccc1C=C1SC(N)=NC1=O)C(C)=O ZINC000016905120 182063995 /nfs/dbraw/zinc/06/39/95/182063995.db2.gz TVDCTHKQHINVQD-JYVXZMADSA-N 0 0 304.371 2.362 10 10 DECERN CCNC(=O)NC(=O)CN(c1ccc(OC)cc1)[C@H](C)C1CC1 ZINC000109774015 285527380 /nfs/dbraw/zinc/52/73/80/285527380.db2.gz OJZXPRFOIWNHCU-GFCCVEGCSA-N 0 0 319.405 2.146 10 10 DECERN CN(C)c1ccc(CNC(=O)NC[C@H]2CCCC[C@H]2O)cc1F ZINC000077800350 401832411 /nfs/dbraw/zinc/83/24/11/401832411.db2.gz INPJGLMKNDGVEG-CZUORRHYSA-N 0 0 323.412 2.242 10 10 DECERN CCN(CC)c1ccc(CNC(=O)N[C@H](C)[C@H](C)CO)cc1 ZINC000172607902 402666092 /nfs/dbraw/zinc/66/60/92/402666092.db2.gz DBCCKGFUYVUUBH-ZIAGYGMSSA-N 0 0 307.438 2.349 10 10 DECERN O=C(c1cccc(O)c1O)N1CCO[C@@H](c2ccsc2)C1 ZINC000193133083 402766156 /nfs/dbraw/zinc/76/61/56/402766156.db2.gz LWCCZAQIEYNULF-CYBMUJFWSA-N 0 0 305.355 2.373 10 10 DECERN COC(=O)c1ccc(N(C)Cc2ccccc2O)nc1OC ZINC000302837739 534183412 /nfs/dbraw/zinc/18/34/12/534183412.db2.gz XVWYMVILLVZFKL-UHFFFAOYSA-N 0 0 302.330 2.219 10 10 DECERN CCCC[C@H](NC(=O)NCC)C(=O)N(C)Cc1ccccc1O ZINC000155505989 521219315 /nfs/dbraw/zinc/21/93/15/521219315.db2.gz MYXKVNAEPPWLCA-AWEZNQCLSA-N 0 0 321.421 2.229 10 10 DECERN Cc1ccc(C(=O)NCCCc2nc(C(C)C)no2)c(O)c1O ZINC000177676621 625055933 /nfs/dbraw/zinc/05/59/33/625055933.db2.gz VBSPCCDFAGEDTR-UHFFFAOYSA-N 0 0 319.361 2.275 10 10 DECERN COc1ccc(O)c([C@H](C)NC(=O)N[C@H](C)[C@@H]2CCCO2)c1 ZINC000103509007 639766160 /nfs/dbraw/zinc/76/61/60/639766160.db2.gz OOEDRGRFQYXKSF-RWSFTLGLSA-N 0 0 308.378 2.329 10 10 DECERN [O-]c1c(Br)cccc1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000179952720 648440964 /nfs/dbraw/zinc/44/09/64/648440964.db2.gz GZEWXLZBZPGVHJ-GFCCVEGCSA-N 0 0 311.223 2.435 10 10 DECERN COc1ccc(O)c([C@H](C)NC(=O)N[C@H](C)[C@H]2CCCO2)c1 ZINC000246145997 685124277 /nfs/dbraw/zinc/12/42/77/685124277.db2.gz OOEDRGRFQYXKSF-FIXISWKDSA-N 0 0 308.378 2.329 10 10 DECERN CC(C)(C[NH2+]Cc1cccc(Cl)c1[O-])CS(C)(=O)=O ZINC000723881343 777200500 /nfs/dbraw/zinc/20/05/00/777200500.db2.gz AVNNERXQVWSIAN-UHFFFAOYSA-N 0 0 305.827 2.206 10 10 DECERN CN(Cc1ccccc1O)C(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000246039616 530003474 /nfs/dbraw/zinc/00/34/74/530003474.db2.gz AJQNACSSWVWNQQ-FVQBIDKESA-N 0 0 316.401 2.491 10 10 DECERN CNc1cc2c(cc1C)Nc1c(C(N)=O)cc(O)c(O)c1O2 ZINC000003848521 283689664 /nfs/dbraw/zinc/68/96/64/283689664.db2.gz WTQZEVAXQPYXSE-UHFFFAOYSA-N 0 0 301.302 2.396 10 10 DECERN O=C1N[C@H](c2cc(Cl)c3ccccc3c2O)N2CCOC[C@@H]12 ZINC000091516642 401996584 /nfs/dbraw/zinc/99/65/84/401996584.db2.gz CKOQGDKGAYYYJT-ZFWWWQNUSA-N 0 0 318.760 2.028 10 10 DECERN Cc1nc([C@H]2CN(Cc3cc(C)c(C)cc3O)CCO2)n[nH]1 ZINC000180109305 402607665 /nfs/dbraw/zinc/60/76/65/402607665.db2.gz SCGULRXIANCMQR-OAHLLOKOSA-N 0 0 302.378 2.009 10 10 DECERN Cc1nccn1C[C@@H]1CCCN1C(=O)c1ccc(C)c(O)c1O ZINC000182562254 402699341 /nfs/dbraw/zinc/69/93/41/402699341.db2.gz ZVILWXUUHSCSSS-ZDUSSCGKSA-N 0 0 315.373 2.216 10 10 DECERN CN(C(=O)NCc1ccc(N2CCOCC2)c(F)c1)C1CCC1 ZINC000174108895 402727186 /nfs/dbraw/zinc/72/71/86/402727186.db2.gz ZQTAVTXEYIQKBD-UHFFFAOYSA-N 0 0 321.396 2.356 10 10 DECERN Cc1noc([C@H](C)N2CCN(Cc3cc(F)ccc3O)CC2)n1 ZINC000180106037 526661160 /nfs/dbraw/zinc/66/11/60/526661160.db2.gz KXAWXIGUHIPLTK-NSHDSACASA-N 0 0 320.368 2.102 10 10 DECERN CCN(CC)c1ccc(CN2CCCN(C)C(=O)C2)cc1F ZINC000191666735 528299280 /nfs/dbraw/zinc/29/92/80/528299280.db2.gz JLLQWKUULXHLIW-UHFFFAOYSA-N 0 0 307.413 2.336 10 10 DECERN Cn1cc(/C=C\C(=O)N(C[C@@H]2CCCO2)c2ccncc2)cn1 ZINC000733970573 633306537 /nfs/dbraw/zinc/30/65/37/633306537.db2.gz ZRGFSFAJNALKHM-AWFCHZOYSA-N 0 0 312.373 2.041 10 10 DECERN CN(C)c1ccc(CNC(=O)Nc2ncn(C(C)(C)C)n2)cc1 ZINC000752999445 639246252 /nfs/dbraw/zinc/24/62/52/639246252.db2.gz BVRICEBLRAFSIP-UHFFFAOYSA-N 0 0 316.409 2.421 10 10 DECERN CN(Cc1ccccc1O)C(=O)Nc1ncn(C(C)(C)C)n1 ZINC000753001577 639246290 /nfs/dbraw/zinc/24/62/90/639246290.db2.gz YNXNRUMMLKVQTO-UHFFFAOYSA-N 0 0 303.366 2.403 10 10 DECERN CCCC(=O)NCC(=O)NCc1ccc(N(CC)CC)cc1 ZINC000057118120 646505202 /nfs/dbraw/zinc/50/52/02/646505202.db2.gz IDJLFCDLBWQKNC-UHFFFAOYSA-N 0 0 305.422 2.065 10 10 DECERN OCCOc1cncc(NCc2ccc(N3CCCC3)cc2)n1 ZINC000189178245 684375825 /nfs/dbraw/zinc/37/58/25/684375825.db2.gz LTAHEPITICXCAL-UHFFFAOYSA-N 0 0 314.389 2.060 10 10 DECERN C[C@@H]1CC[C@@H](C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)O1 ZINC000248039182 685154932 /nfs/dbraw/zinc/15/49/32/685154932.db2.gz SIFJMSTVDGWJOZ-UNEWFSDZSA-N 0 0 319.401 2.467 10 10 DECERN CCN1CC[C@@H]([NH2+]Cc2cc(Br)cc(F)c2[O-])C1 ZINC000715716565 792507843 /nfs/dbraw/zinc/50/78/43/792507843.db2.gz GXQDIGLWZHGMRF-LLVKDONJSA-N 0 0 317.202 2.478 10 10 DECERN CN(C)c1ccc(CN(C)C(=O)N[C@@H]2C[C@@H]3OCCC[C@H]23)cc1 ZINC000187960396 529779966 /nfs/dbraw/zinc/77/99/66/529779966.db2.gz ZCMIYUZULQSJAT-ZACQAIPSSA-N 0 0 317.433 2.462 10 10 DECERN CN(C)c1ccc(CNC(=O)N[C@@H]2C[C@H]3OCCC[C@H]23)cc1F ZINC000187926753 529781791 /nfs/dbraw/zinc/78/17/91/529781791.db2.gz KVFOXDSXNVFMHO-XNRPHZJLSA-N 0 0 321.396 2.258 10 10 DECERN CC(=O)N1CCc2cc(N3CCN(c4ccccn4)CC3)ccc21 ZINC000071702452 191009456 /nfs/dbraw/zinc/00/94/56/191009456.db2.gz WPXQSSKVOLIPAV-UHFFFAOYSA-N 0 0 322.412 2.317 10 10 DECERN O=C1/C(=C/c2c[nH]c3ccccc23)SC(=S)N1CCO ZINC000016904913 182063897 /nfs/dbraw/zinc/06/38/97/182063897.db2.gz JSMPEQLXTUTFNY-GHXNOFRVSA-N 0 0 304.396 2.361 10 10 DECERN O=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1cccc(O)c1O ZINC000248787124 402608266 /nfs/dbraw/zinc/60/82/66/402608266.db2.gz WNCJRZNTMRYGLU-NILFDRSVSA-N 0 0 303.358 2.175 10 10 DECERN Cc1ccnc(C2CCN(C(=O)c3cccc(O)c3O)CC2)n1 ZINC000369126242 227025689 /nfs/dbraw/zinc/02/56/89/227025689.db2.gz KRLXCLRCPSBLPE-UHFFFAOYSA-N 0 0 313.357 2.216 10 10 DECERN Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1CC[C@H](O)[C@]2(C)O ZINC000014719962 281705057 /nfs/dbraw/zinc/70/50/57/281705057.db2.gz RTKDBIDPGKCZJS-KPZWWZAWSA-N 0 0 312.321 2.149 10 10 biogenic,in-vitro DECERN CN1C(=O)C(=Cc2ccc(C(C)(C)C)s2)C(=O)N(C)C1=O ZINC000178985172 625240873 /nfs/dbraw/zinc/24/08/73/625240873.db2.gz FXIGINZWOVTLQJ-UHFFFAOYSA-N 0 0 306.387 2.479 10 10 DECERN CC[C@H](C(=O)[O-])[N@H+](C)Cc1cc(Br)ccc1O ZINC000233879567 648357582 /nfs/dbraw/zinc/35/75/82/648357582.db2.gz RJEHUFCERHCQQE-SNVBAGLBSA-N 0 0 302.168 2.450 10 10 DECERN Cc1cnn(CC[NH2+]Cc2cccc(Br)c2[O-])c1 ZINC000105908481 651242759 /nfs/dbraw/zinc/24/27/59/651242759.db2.gz TUEVAMOSSFKUIU-UHFFFAOYSA-N 0 0 310.195 2.449 10 10 DECERN O=C1COc2cc([N+](=O)[O-])c(N3Cc4ccccc4C3)cc2N1 ZINC000130619401 684190838 /nfs/dbraw/zinc/19/08/38/684190838.db2.gz BJUSKJNGVINCAL-UHFFFAOYSA-N 0 0 311.297 2.446 10 10 DECERN C[NH+](C)[C@@H]1CCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000715719597 792507780 /nfs/dbraw/zinc/50/77/80/792507780.db2.gz SXOBCWYSUABMRZ-LLVKDONJSA-N 0 0 317.202 2.430 10 10 DECERN [O-]c1c(Br)cccc1C[NH2+][C@H](CO)C1CCC1 ZINC000717604759 799426963 /nfs/dbraw/zinc/42/69/63/799426963.db2.gz ZPAFRABHRITUAA-GFCCVEGCSA-N 0 0 300.196 2.405 10 10 DECERN Cc1cc(C(=O)NCc2ccc(N(C)C)cc2)c2cnn(C)c2n1 ZINC000175127578 801585229 /nfs/dbraw/zinc/58/52/29/801585229.db2.gz UTBFAVXUEXEXAP-UHFFFAOYSA-N 0 0 323.400 2.273 10 10 DECERN CC(=O)c1cc(F)cc(CN2CCN(C(=O)C(C)C)CC2)c1O ZINC000079385739 355307493 /nfs/dbraw/zinc/30/74/93/355307493.db2.gz LBRSVSPNFDEIRG-UHFFFAOYSA-N 0 0 322.380 2.034 10 10 DECERN CCN(CC)c1ccc(CN2C[C@@H](OC)C[C@@H]2C(=O)OC)cc1 ZINC000125855705 402253490 /nfs/dbraw/zinc/25/34/90/402253490.db2.gz VTMQNOMCZXEFOG-DLBZAZTESA-N 0 0 320.433 2.295 10 10 DECERN CO[C@@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)CC[C@H]1C ZINC000190413024 523731346 /nfs/dbraw/zinc/73/13/46/523731346.db2.gz WKONKBDPZVEHGZ-CZUORRHYSA-N 0 0 305.422 2.319 10 10 DECERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(Cc2cc(F)ccc2O)C1 ZINC000190143422 523761313 /nfs/dbraw/zinc/76/13/13/523761313.db2.gz TVQOVOKPTLPVOO-OLZOCXBDSA-N 0 0 307.325 2.185 10 10 DECERN COc1cccc(CNS(=O)(=O)/C=C\c2ccccc2)c1O ZINC000255375973 624499563 /nfs/dbraw/zinc/49/95/63/624499563.db2.gz VHFFPKBSXSXJTC-KHPPLWFESA-N 0 0 319.382 2.491 10 10 DECERN CC(=O)N[C@H]1CCCN(Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000177259066 625893257 /nfs/dbraw/zinc/89/32/57/625893257.db2.gz LGHYQJPOJOGZNM-AWEZNQCLSA-N 0 0 324.808 2.349 10 10 DECERN CN(Cc1cn(C)nc1C(F)(F)F)C(=O)C1=CC(=O)CS1 ZINC000750537506 639000311 /nfs/dbraw/zinc/00/03/11/639000311.db2.gz XBRPXCRGPKAHNS-UHFFFAOYSA-N 0 0 319.308 2.478 10 10 DECERN CC(=O)C(=O)Cn1cnc2cc(-c3ccccc3)sc2c1=O ZINC000808020958 646021370 /nfs/dbraw/zinc/02/13/70/646021370.db2.gz VGUDZKMWHPWWET-UHFFFAOYSA-N 0 0 312.350 2.283 10 10 DECERN O=C(NCc1ccc(N2CCCC2)cc1)N[C@H]1CCCOC1 ZINC000171597802 646706741 /nfs/dbraw/zinc/70/67/41/646706741.db2.gz QGQFULOEZOTMOZ-HNNXBMFYSA-N 0 0 303.406 2.265 10 10 DECERN CN(C[C@H]1CCCO1)C(=O)NCCCSc1nccs1 ZINC000154652334 648059386 /nfs/dbraw/zinc/05/93/86/648059386.db2.gz MZTNOGOQKXNJIU-LLVKDONJSA-N 0 0 315.464 2.446 10 10 DECERN COc1ccc(O)c([C@@H](C)NCc2nnc(C)n2C2CC2)c1 ZINC000182346417 648886097 /nfs/dbraw/zinc/88/60/97/648886097.db2.gz PYSYOILXYQJAFU-SNVBAGLBSA-N 0 0 302.378 2.486 10 10 DECERN Cc1cc(C(=O)NC(C)(C)C(N)=O)c(C)n1-c1ccccc1C ZINC000193945700 685053151 /nfs/dbraw/zinc/05/31/51/685053151.db2.gz BBSZFYQWSASLRL-UHFFFAOYSA-N 0 0 313.401 2.396 10 10 DECERN CN(C)C1CC([NH2+]Cc2cc(Br)cc(F)c2[O-])C1 ZINC000715737060 792509554 /nfs/dbraw/zinc/50/95/54/792509554.db2.gz KCOUQXPWJZRZGT-UHFFFAOYSA-N 0 0 317.202 2.476 10 10 DECERN CN(C)c1ccc(CNC(=O)N[C@@H]2C[C@@H]3OCCC[C@@H]23)cc1F ZINC000251770619 529781897 /nfs/dbraw/zinc/78/18/97/529781897.db2.gz KVFOXDSXNVFMHO-BJJXKVORSA-N 0 0 321.396 2.258 10 10 DECERN CCOc1ccc(/C=C2\SC(=S)N(N)C2=O)cc1OC ZINC000016904975 182064018 /nfs/dbraw/zinc/06/40/18/182064018.db2.gz CLNSIFNIOVOMRN-XFFZJAGNSA-N 0 0 310.400 2.169 10 10 DECERN Nc1ccc(OCCn2cc(Br)ccc2=O)cc1 ZINC000036671590 182834611 /nfs/dbraw/zinc/83/46/11/182834611.db2.gz GZCPLFRFLYIIND-UHFFFAOYSA-N 0 0 309.163 2.272 10 10 DECERN COC(=O)[C@@H]1C[C@@H](OC)CN1Cc1cc(Cl)cc(C)c1O ZINC000245856417 533045463 /nfs/dbraw/zinc/04/54/63/533045463.db2.gz NNNDWWKTEIEYBN-OLZOCXBDSA-N 0 0 313.781 2.116 10 10 DECERN Nc1ccc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000008030973 401747634 /nfs/dbraw/zinc/74/76/34/401747634.db2.gz KCPDUFCGARPFHG-UHFFFAOYSA-N 0 0 311.385 2.320 10 10 DECERN COc1ccc(N2CCCN(C(=O)N[C@H]3C[C@@H]3C)CC2)cc1 ZINC000075979958 401775829 /nfs/dbraw/zinc/77/58/29/401775829.db2.gz LDQJYINDRYSACO-BBRMVZONSA-N 0 0 303.406 2.325 10 10 DECERN CC[C@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)c1ccccc1O ZINC000367640846 405112123 /nfs/dbraw/zinc/11/21/23/405112123.db2.gz AAWUVHZLJVYPQM-HOTGVXAUSA-N 0 0 318.417 2.213 10 10 DECERN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000191255520 225107573 /nfs/dbraw/zinc/10/75/73/225107573.db2.gz GCFMANJQOLTNDB-NSHDSACASA-N 0 0 314.788 2.091 10 10 DECERN COc1ccc(N2CCN(C(=O)[C@H]3CCCO[C@H]3C)CC2)cc1 ZINC000190476381 524416490 /nfs/dbraw/zinc/41/64/90/524416490.db2.gz ZETCIRBVISNRFF-YOEHRIQHSA-N 0 0 318.417 2.159 10 10 DECERN Cc1ccc(C(=O)N2CCC[C@H]2c2cnn(C)c2)c(O)c1O ZINC000182377544 526108720 /nfs/dbraw/zinc/10/87/20/526108720.db2.gz XLGWXXXVGVJATH-ZDUSSCGKSA-N 0 0 301.346 2.117 10 10 DECERN O=C(CSc1nccs1)NCCN1CCc2ccccc21 ZINC000052914727 625343911 /nfs/dbraw/zinc/34/39/11/625343911.db2.gz WXMGWPDUGSAPCA-UHFFFAOYSA-N 0 0 319.455 2.414 10 10 DECERN CC(=O)CCC(=O)NCc1cc(Br)ccc1O ZINC000804736497 623213277 /nfs/dbraw/zinc/21/32/77/623213277.db2.gz WEEXDPLKVPRURK-UHFFFAOYSA-N 0 0 300.152 2.140 10 10 DECERN CCOc1cc(C=C2C(=O)NC(=S)N(C)C2=O)ccc1OC ZINC000056635771 634775224 /nfs/dbraw/zinc/77/52/24/634775224.db2.gz XUWPDAQWUPAIHL-YFHOEESVSA-N 0 0 320.370 2.191 10 10 DECERN COCCOc1cccc(CNC(=O)Cc2ccc(N)cc2)c1 ZINC000237184466 637518596 /nfs/dbraw/zinc/51/85/96/637518596.db2.gz ISKRWBZJKIMXLA-UHFFFAOYSA-N 0 0 314.385 2.153 10 10 DECERN Cc1cc(CCNC(=O)Cn2cncn2)c(C)n1-c1ccccc1 ZINC000746429788 638342832 /nfs/dbraw/zinc/34/28/32/638342832.db2.gz USNUPIICHISKOP-UHFFFAOYSA-N 0 0 323.400 2.045 10 10 DECERN c1cc(N2CCOCC2)ccc1CNc1cc2c(nn1)CCC2 ZINC000746662279 638366817 /nfs/dbraw/zinc/36/68/17/638366817.db2.gz YTJZINYECLUHQV-UHFFFAOYSA-N 0 0 310.401 2.414 10 10 DECERN CN(Cc1ccccc1O)C(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000079402358 683972609 /nfs/dbraw/zinc/97/26/09/683972609.db2.gz VVNCRYPMADOQAQ-UHFFFAOYSA-N 0 0 309.325 2.313 10 10 DECERN COc1ccc(N2CCN(C(=O)[C@H]3CC[C@@H](C)O3)CC2)cc1F ZINC000120571111 684097605 /nfs/dbraw/zinc/09/76/05/684097605.db2.gz KROZYWMBWVFYRM-MLGOLLRUSA-N 0 0 322.380 2.050 10 10 DECERN C[C@H](CC[NH2+]Cc1cccc(Br)c1[O-])[S@](C)=O ZINC000129323915 684178468 /nfs/dbraw/zinc/17/84/68/684178468.db2.gz LORBURSLYNZPNL-VVVCHXIZSA-N 0 0 320.252 2.401 10 10 DECERN CCc1noc(C)c1NC(=O)NCCc1ccc(O)c(O)c1 ZINC000155820237 684280693 /nfs/dbraw/zinc/28/06/93/684280693.db2.gz AOXYZIWZKYTAIW-UHFFFAOYSA-N 0 0 305.334 2.321 10 10 DECERN COc1ccc(O)c(CNC(=O)[C@H](C)n2nc(C)cc2C)c1 ZINC000155977152 684283080 /nfs/dbraw/zinc/28/30/80/684283080.db2.gz YFAJSUUEDWPMCP-LBPRGKRZSA-N 0 0 303.362 2.092 10 10 DECERN Cc1ccc(C(=O)Nc2cn(Cc3ccccc3)nn2)c(O)c1O ZINC000194533822 685069450 /nfs/dbraw/zinc/06/94/50/685069450.db2.gz QPOJZLWDNKKCSZ-UHFFFAOYSA-N 0 0 324.340 2.298 10 10 DECERN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]CC[C@]1(O)CCOC1 ZINC000404218212 802010163 /nfs/dbraw/zinc/01/01/63/802010163.db2.gz PROVQIZNFAXGJG-ZDUSSCGKSA-N 0 0 306.189 2.330 10 10 DECERN C[C@@H]1[C@H]([NH2+]Cc2cc(Br)cc(F)c2[O-])CCN1C ZINC000719596392 1089317923 /nfs/dbraw/zinc/31/79/23/1089317923.db2.gz AQXYLLFGVNDLMI-PRHODGIISA-N 0 0 317.202 2.476 10 10 DECERN CCOC(=O)C1CCN(c2ccc3c(c2)CCN3C(C)=O)CC1 ZINC000071702344 191010036 /nfs/dbraw/zinc/01/00/36/191010036.db2.gz VTENGVQQHWJQGX-UHFFFAOYSA-N 0 0 316.401 2.375 10 10 DECERN C[C@@H]1CC(C)(C)N2C(=O)C(=O)c3c2c1cc(O)c3CN(C)C ZINC000072415020 191155615 /nfs/dbraw/zinc/15/56/15/191155615.db2.gz FRHGAWDSCIHOBC-SECBINFHSA-N 0 0 302.374 2.269 10 10 DECERN [NH3+]CC[C@H]([NH3+])c1c(Br)ccc(Br)c1[O-] ZINC000306577661 356404503 /nfs/dbraw/zinc/40/45/03/356404503.db2.gz LNYXHLNJIKPUPP-ZETCQYMHSA-N 0 0 324.016 2.266 10 10 DECERN N=C1NC(=S)NC(=O)C1=Cc1ccc(Br)cc1 ZINC000040176434 183044532 /nfs/dbraw/zinc/04/45/32/183044532.db2.gz KJPPPUCEALZOQM-VMPITWQZSA-N 0 0 310.176 2.225 10 10 DECERN CN1CCO[C@@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000105470912 194105816 /nfs/dbraw/zinc/10/58/16/194105816.db2.gz BSJQSCHWJZODEE-NSHDSACASA-N 0 0 305.205 2.119 10 10 DECERN CC(C)[C@@H](C)NC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000054786559 134773739 /nfs/dbraw/zinc/77/37/39/134773739.db2.gz WAWBEIJRECLNDB-CQSZACIVSA-N 0 0 305.422 2.367 10 10 DECERN Nc1cc(Br)c(N)c2c1C(=O)c1ccccc1C2=O ZINC000005425550 401729628 /nfs/dbraw/zinc/72/96/28/401729628.db2.gz IEWDGUMBUFXBCC-UHFFFAOYSA-N 0 0 317.142 2.389 10 10 DECERN Oc1cc2c(cc1CN1CCO[C@@H](c3nccs3)C1)OCO2 ZINC000152257390 402085288 /nfs/dbraw/zinc/08/52/88/402085288.db2.gz KEYDRGYGTSSUDN-CQSZACIVSA-N 0 0 320.370 2.151 10 10 DECERN CCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(F)cc1[O-])CC2 ZINC000185995200 402395844 /nfs/dbraw/zinc/39/58/44/402395844.db2.gz OBUHWOUBEKKVOF-ZYHUDNBSSA-N 0 0 304.369 2.351 10 10 DECERN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCCOC1 ZINC000171617790 402602222 /nfs/dbraw/zinc/60/22/22/402602222.db2.gz SBWCCKKGSIVRDH-OAHLLOKOSA-N 0 0 305.422 2.463 10 10 DECERN O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000245645674 534774091 /nfs/dbraw/zinc/77/40/91/534774091.db2.gz BMJRSESKYKNLRW-JUMAROTDSA-N 0 0 303.358 2.185 10 10 DECERN Nc1ccc(CC(=O)N2CCO[C@@H](c3cccs3)C2)cc1 ZINC000237894510 527475328 /nfs/dbraw/zinc/47/53/28/527475328.db2.gz KMVIVDVAIMCSBA-CQSZACIVSA-N 0 0 302.399 2.473 10 10 DECERN CNC(=O)c1cncc(/C=C\C(=O)N(C)c2ccc(C)cc2)c1 ZINC000255676794 625613999 /nfs/dbraw/zinc/61/39/99/625613999.db2.gz RMIHMKJJADDELX-TWGQIWQCSA-N 0 0 309.369 2.426 10 10 DECERN CCCCN(CCO)c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] ZINC000255121034 623520286 /nfs/dbraw/zinc/52/02/86/623520286.db2.gz OZZTXOTUPLMTES-VURMDHGXSA-N 0 0 322.361 2.380 10 10 DECERN COc1ccc(O)c(CNC(=O)NC[C@H]2CCC(C)(C)O2)c1 ZINC000187106751 637008350 /nfs/dbraw/zinc/00/83/50/637008350.db2.gz JMNXFNYNYKVVTK-CYBMUJFWSA-N 0 0 308.378 2.158 10 10 DECERN C[C@@H]1C[C@H]1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000170806424 646668171 /nfs/dbraw/zinc/66/81/71/646668171.db2.gz OXJQBZABLIRHOF-CXAGYDPISA-N 0 0 317.433 2.103 10 10 DECERN [O-]c1c(Br)cccc1C[NH2+]C[C@@H]1CCC[C@H]1O ZINC000089164734 684019622 /nfs/dbraw/zinc/01/96/22/684019622.db2.gz NGVOGVACGLWQNK-JOYOIKCWSA-N 0 0 300.196 2.405 10 10 DECERN Cc1sc(C(=O)NCCc2ccc(O)c(O)c2)cc1[N+](=O)[O-] ZINC000122597746 684116651 /nfs/dbraw/zinc/11/66/51/684116651.db2.gz OFHMPVVJQSKGCQ-UHFFFAOYSA-N 0 0 322.342 2.348 10 10 DECERN COc1ccc(F)cc1CNC(=O)c1ccc(C)c(O)c1O ZINC000188679407 684360586 /nfs/dbraw/zinc/36/05/86/684360586.db2.gz AXDWMQLULQNJRD-UHFFFAOYSA-N 0 0 305.305 2.484 10 10 DECERN C[C@@H]([NH2+]CC(C)(C)CS(C)(=O)=O)c1ccc(F)cc1[O-] ZINC000723884825 777201536 /nfs/dbraw/zinc/20/15/36/777201536.db2.gz ZXGFLRAJKBFGOS-SNVBAGLBSA-N 0 0 303.399 2.253 10 10 DECERN CC(C)(C)OC(=O)N1CC([NH2+]Cc2ccc(F)c(F)c2[O-])C1 ZINC000703393804 1086498362 /nfs/dbraw/zinc/49/83/62/1086498362.db2.gz DNTSNYOKHSQKAT-UHFFFAOYSA-N 0 0 314.332 2.379 10 10 DECERN CCOC(=O)[C@@H]1CCCN(c2ccc3c(c2)CCN3C(C)=O)C1 ZINC000071702379 191009265 /nfs/dbraw/zinc/00/92/65/191009265.db2.gz JHBOETCWBCUHFQ-OAHLLOKOSA-N 0 0 316.401 2.375 10 10 DECERN COc1cccc(/C=C2\SC(=S)N(CCCO)C2=O)c1 ZINC000016904764 182063984 /nfs/dbraw/zinc/06/39/84/182063984.db2.gz ORMHWIAVHAILMG-XFXZXTDPSA-N 0 0 309.412 2.279 10 10 DECERN CCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(F)cc1[O-])CC2 ZINC000185995219 402396164 /nfs/dbraw/zinc/39/61/64/402396164.db2.gz OBUHWOUBEKKVOF-PWSUYJOCSA-N 0 0 304.369 2.351 10 10 DECERN O=C(NCc1c(O)ccc2c1CCCC2)N[C@H]1CCCOC1 ZINC000173188578 402687757 /nfs/dbraw/zinc/68/77/57/402687757.db2.gz ZQBNLOINFSAMQI-ZDUSSCGKSA-N 0 0 304.390 2.249 10 10 DECERN CCn1cc(C2CCN(C(=O)c3cccc(O)c3O)CC2)cn1 ZINC000193080557 225151446 /nfs/dbraw/zinc/15/14/46/225151446.db2.gz UIHNEIDUHGBKMB-UHFFFAOYSA-N 0 0 315.373 2.334 10 10 DECERN C[C@@]1(O)Cc2ccc3c(c2C(=O)C1)C(=O)c1cccc(O)c1C3=O ZINC000004654725 278129504 /nfs/dbraw/zinc/12/95/04/278129504.db2.gz UGEKKXLEYACFTD-LJQANCHMSA-N 0 0 322.316 2.048 10 10 biogenic,in-vitro DECERN COc1ccc(O)c([C@H](C)Nc2cnn(C)c(=O)c2Cl)c1 ZINC000301198663 336294535 /nfs/dbraw/zinc/29/45/35/336294535.db2.gz ONNFRHXZQGLAAG-QMMMGPOBSA-N 0 0 309.753 2.321 10 10 DECERN CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)Cc2ccc(N)cc2)C1 ZINC000236944557 523648956 /nfs/dbraw/zinc/64/89/56/523648956.db2.gz OMEDFZYGGAPILW-WIEQDCTASA-N 0 0 308.447 2.007 10 10 DECERN CCCN(Cc1ccccc1O)C(=O)NCC[S@@](=O)CC ZINC000741419991 637979696 /nfs/dbraw/zinc/97/96/96/637979696.db2.gz GWGPAQBVZVPRIX-NRFANRHFSA-N 0 0 312.435 2.082 10 10 DECERN CCN(C[C@@H](O)COC[C@H]1CCCO1)c1ccc(OC)cc1 ZINC000747681517 638463681 /nfs/dbraw/zinc/46/36/81/638463681.db2.gz AOULTPGMXBMNSN-NVXWUHKLSA-N 0 0 309.406 2.078 10 10 DECERN CCCCN(Cc1ccccc1O)C(=O)NCc1cn(C)nn1 ZINC000802289292 645513033 /nfs/dbraw/zinc/51/30/33/645513033.db2.gz BUPQVYNLOGJIJQ-UHFFFAOYSA-N 0 0 317.393 2.033 10 10 DECERN CCN(CC)c1ccc(CNC(=O)[C@H]2C[C@H]2C(=O)OC)cc1F ZINC000108996905 651779298 /nfs/dbraw/zinc/77/92/98/651779298.db2.gz AFXNKVIHASZOOS-QWHCGFSZSA-N 0 0 322.380 2.097 10 10 DECERN Cc1cnn(C[C@H]2CN(Cc3ccc(N(C)C)cc3)CCO2)c1 ZINC000122342733 684114597 /nfs/dbraw/zinc/11/45/97/684114597.db2.gz JYMLFIIXJBNRGL-GOSISDBHSA-N 0 0 314.433 2.159 10 10 DECERN C[C@@H]1CC[C@@H](C(=O)NCc2ccc(N3CCSCC3)cc2)O1 ZINC000132742066 684212972 /nfs/dbraw/zinc/21/29/72/684212972.db2.gz UEZKCYADCYQLPE-CJNGLKHVSA-N 0 0 320.458 2.424 10 10 DECERN CC(C)Oc1cccnc1C(=O)NCc1ccc(O)c(O)c1 ZINC000159146130 684309777 /nfs/dbraw/zinc/30/97/77/684309777.db2.gz MNWOOTULVOZYIW-UHFFFAOYSA-N 0 0 302.330 2.210 10 10 DECERN COc1ccc([C@H](O)COc2ccc(N)cc2)c(OC)c1OC ZINC000040352082 183056318 /nfs/dbraw/zinc/05/63/18/183056318.db2.gz MFKQSQHLWKVZMK-CQSZACIVSA-N 0 0 319.357 2.407 10 10 DECERN Nc1ccc(CCNC(=O)c2cc(Br)c[nH]2)cc1 ZINC000063129786 184272421 /nfs/dbraw/zinc/27/24/21/184272421.db2.gz XMIAYLUVKDIJFL-UHFFFAOYSA-N 0 0 308.179 2.332 10 10 DECERN COc1cccc(CNC(=O)N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)c1O ZINC000246574981 533499690 /nfs/dbraw/zinc/49/96/90/533499690.db2.gz ZPCGUUFOZORKAG-KCPJHIHWSA-N 0 0 320.389 2.014 10 10 DECERN C[C@@H](CO)[C@@H](C)NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000077776905 401830933 /nfs/dbraw/zinc/83/09/33/401830933.db2.gz NSJNNLULQLEVEO-UONOGXRCSA-N 0 0 305.422 2.103 10 10 DECERN C[C@@H](CO)[C@H](C)NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000077776907 401830987 /nfs/dbraw/zinc/83/09/87/401830987.db2.gz NSJNNLULQLEVEO-KBPBESRZSA-N 0 0 305.422 2.103 10 10 DECERN Cn1nccc1CCC(=O)NCc1ccc2c(c1)CCCN2C ZINC000121693146 402048751 /nfs/dbraw/zinc/04/87/51/402048751.db2.gz VMIHSLJZXOJOGP-UHFFFAOYSA-N 0 0 312.417 2.052 10 10 DECERN COC(=O)[C@H]1C[C@@H](OC)CN1Cc1cc(Cl)cc(C)c1O ZINC000180234632 402611083 /nfs/dbraw/zinc/61/10/83/402611083.db2.gz NNNDWWKTEIEYBN-CHWSQXEVSA-N 0 0 313.781 2.116 10 10 DECERN Cc1cc(C(=O)N2CC(CO)C2)c(C)n1-c1ccc(F)cc1 ZINC000184225394 402828200 /nfs/dbraw/zinc/82/82/00/402828200.db2.gz FXKJQHFRKXQKIU-UHFFFAOYSA-N 0 0 302.349 2.298 10 10 DECERN CC(C)c1nnc(CN2CCOc3cc(N(C)C)ccc32)n1C ZINC000181134116 278099121 /nfs/dbraw/zinc/09/91/21/278099121.db2.gz DEENMSLJSKEZBN-UHFFFAOYSA-N 0 0 315.421 2.404 10 10 DECERN COCCOc1cc(N2CCC3(CC2)OCCO3)ccc1OC ZINC000584615400 337372755 /nfs/dbraw/zinc/37/27/55/337372755.db2.gz FAJLDALPVUMCTL-UHFFFAOYSA-N 0 0 323.389 2.064 10 10 DECERN C[C@H]1C[N@H+](Cc2cccc(Cl)c2[O-])C[C@H]1N1CCOCC1 ZINC000245949785 533953377 /nfs/dbraw/zinc/95/33/77/533953377.db2.gz WRWHWYVXNWEGBY-SWLSCSKDSA-N 0 0 310.825 2.198 10 10 DECERN COc1cccc(CN2C[C@@H](OC)C[C@H]2c2nc(C)no2)c1O ZINC000190151924 525957039 /nfs/dbraw/zinc/95/70/39/525957039.db2.gz KHZCVBFCGBPDFC-STQMWFEESA-N 0 0 319.361 2.054 10 10 DECERN CN(Cc1ccccc1O)C(=O)c1cccc(-n2cncn2)c1 ZINC000115710053 652199173 /nfs/dbraw/zinc/19/91/73/652199173.db2.gz LARXKVVYURSVDE-UHFFFAOYSA-N 0 0 308.341 2.245 10 10 DECERN CCN(CC)c1ccc(CN2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)cc1 ZINC000120662691 684098885 /nfs/dbraw/zinc/09/88/85/684098885.db2.gz ZWBSQQFAYTYZPK-IAGOWNOFSA-N 0 0 319.493 2.420 10 10 DECERN O=C(NCc1cnn(-c2ccccc2)c1)c1cccc(O)c1O ZINC000192935898 684460733 /nfs/dbraw/zinc/46/07/33/684460733.db2.gz GIFSXTMNGPQWPG-UHFFFAOYSA-N 0 0 309.325 2.214 10 10 DECERN CS(=O)(=O)[C@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000714250670 792305705 /nfs/dbraw/zinc/30/57/05/792305705.db2.gz PBMBIHJDQZXGGN-MGCOHNPYSA-N 0 0 324.229 2.364 10 10 DECERN Cn1cc(NCc2cc(Br)cc(F)c2O)nn1 ZINC000715722224 1085525464 /nfs/dbraw/zinc/52/54/64/1085525464.db2.gz RVUFHISMUROAEK-UHFFFAOYSA-N 0 0 301.119 2.034 10 10 DECERN CN(Cc1ccccc1O)C(=O)[C@H]1CC(=O)Nc2ccccc21 ZINC000136951316 530003475 /nfs/dbraw/zinc/00/34/75/530003475.db2.gz NBLVFYLODJSMBY-AWEZNQCLSA-N 0 0 310.353 2.477 10 10 DECERN CO[C@H]1Cc2c(O)cc(O)cc2O[C@H]1c1ccc(O)c(O)c1 ZINC000001845184 180898733 /nfs/dbraw/zinc/89/87/33/180898733.db2.gz PDHSAQOQVUXZGQ-HOTGVXAUSA-N 0 0 304.298 2.200 10 10 DECERN COc1ccc(N2CCN(C(=O)CCSC)CC2)cc1F ZINC000177278725 402387451 /nfs/dbraw/zinc/38/74/51/402387451.db2.gz GWNTYEVULOVINR-UHFFFAOYSA-N 0 0 312.410 2.236 10 10 DECERN COCc1nc2n(n1)CCC[C@H]2N[C@H](C)c1cc(F)ccc1O ZINC000185776171 402375998 /nfs/dbraw/zinc/37/59/98/402375998.db2.gz UZKNUIDCCZNGNA-ZWNOBZJWSA-N 0 0 320.368 2.455 10 10 DECERN CCc1nccn1[C@H]1CCCN(C(=O)c2cccc(O)c2O)C1 ZINC000187076502 402481975 /nfs/dbraw/zinc/48/19/75/402481975.db2.gz PPQVROBUTTYSPL-LBPRGKRZSA-N 0 0 315.373 2.334 10 10 DECERN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](c3cnn(C)c3)C2)c1O ZINC000175680719 402825159 /nfs/dbraw/zinc/82/51/59/402825159.db2.gz UMLSJSAFMPHQID-GFCCVEGCSA-N 0 0 317.364 2.457 10 10 DECERN [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@H]1CN(C2CC2)CCO1 ZINC000190978884 225100698 /nfs/dbraw/zinc/10/06/98/225100698.db2.gz VODMSLGOQDDFOX-NSHDSACASA-N 0 0 314.788 2.138 10 10 DECERN C[C@@H]1CN(Cc2ccc(N3CCCCC3)cc2)CCS1(=O)=O ZINC000127839399 288214039 /nfs/dbraw/zinc/21/40/39/288214039.db2.gz GHLPEVACLNKHRO-OAHLLOKOSA-N 0 0 322.474 2.296 10 10 DECERN C[N@@+]([O-])(C(=O)Nc1c[nH]ccc1=S)c1ccc([N+](=O)[O-])cc1 ZINC000584652071 337381061 /nfs/dbraw/zinc/38/10/61/337381061.db2.gz XFCFCGGPHMHVLR-KRWDZBQOSA-N 0 0 320.330 2.425 10 10 DECERN Cc1noc([C@@H]2COCCN2Cc2cc(Cl)ccc2O)n1 ZINC000188475759 534467658 /nfs/dbraw/zinc/46/76/58/534467658.db2.gz QYINICPMZURBFH-LBPRGKRZSA-N 0 0 309.753 2.311 10 10 DECERN Cc1nnc([C@@H](NC(=O)c2cccc(O)c2O)c2ccccc2)[nH]1 ZINC000193014160 534553383 /nfs/dbraw/zinc/55/33/83/534553383.db2.gz UYZRFRGXSWPKDL-AWEZNQCLSA-N 0 0 324.340 2.044 10 10 DECERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(Cc2cccc(C)c2O)C1 ZINC000249034445 523761853 /nfs/dbraw/zinc/76/18/53/523761853.db2.gz WZLIOUKTDHQVEZ-KGLIPLIRSA-N 0 0 303.362 2.354 10 10 DECERN COc1cccc(CN2C[C@H](OC)C[C@H]2c2nc(C)no2)c1O ZINC000190151959 525958690 /nfs/dbraw/zinc/95/86/90/525958690.db2.gz KHZCVBFCGBPDFC-OLZOCXBDSA-N 0 0 319.361 2.054 10 10 DECERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)Cc1ccccc1O ZINC000053915067 634812575 /nfs/dbraw/zinc/81/25/75/634812575.db2.gz IYVSBZKXWHNDLU-UHFFFAOYSA-N 0 0 301.302 2.276 10 10 DECERN CCc1nc(CNC(=O)NCc2cccc(OC)c2O)cs1 ZINC000074137389 636936313 /nfs/dbraw/zinc/93/63/13/636936313.db2.gz CFHGILQLVNCZOF-UHFFFAOYSA-N 0 0 321.402 2.419 10 10 DECERN CCOc1ccc(N(C)C[C@H](O)COC[C@H]2CCCO2)cc1 ZINC000740423166 637853100 /nfs/dbraw/zinc/85/31/00/637853100.db2.gz CWABJTHWTPPIQK-DOTOQJQBSA-N 0 0 309.406 2.078 10 10 DECERN O=C(NCc1ccc(N2CC=CC2)cc1)Nc1nncs1 ZINC000172592406 646744224 /nfs/dbraw/zinc/74/42/24/646744224.db2.gz CUWKSEDDTRDTBS-UHFFFAOYSA-N 0 0 301.375 2.236 10 10 DECERN COc1ccccc1NC(=O)CN(C)Cc1ccccc1O ZINC000109768984 652071333 /nfs/dbraw/zinc/07/13/33/652071333.db2.gz ZLBVDPVJSRKCSK-UHFFFAOYSA-N 0 0 300.358 2.471 10 10 DECERN Cc1cc(COCC(=O)NCc2ccc(N(C)C)c(F)c2)on1 ZINC000193527993 685042708 /nfs/dbraw/zinc/04/27/08/685042708.db2.gz ITOGKJLWWCOZDV-UHFFFAOYSA-N 0 0 321.352 2.021 10 10 DECERN CC(C)CC[C@](C)(O)CNC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588406750 777082406 /nfs/dbraw/zinc/08/24/06/777082406.db2.gz JFXDLAKLUBTZQM-WVRJYTFGSA-N 0 0 307.390 2.414 10 10 DECERN CN1C[C@@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CC1=O ZINC000723547337 777121680 /nfs/dbraw/zinc/12/16/80/777121680.db2.gz GSIURGIRMOMIRT-MRVPVSSYSA-N 0 0 303.189 2.267 10 10 DECERN COc1cnccc1[C@H](C)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588550717 777399634 /nfs/dbraw/zinc/39/96/34/777399634.db2.gz XHYWWIKEPOWJLI-QZPNVGJNSA-N 0 0 314.341 2.392 10 10 DECERN CN1CCC[C@H]([NH2+]Cc2cc(Br)cc(F)c2[O-])C1 ZINC000715817765 792524530 /nfs/dbraw/zinc/52/45/30/792524530.db2.gz JILMNYFRYKBHMZ-NSHDSACASA-N 0 0 317.202 2.478 10 10 DECERN COc1ccc(N2CCN(C(=O)N[C@@H]3C[C@H]3C)CC2)cc1F ZINC000084880223 192471943 /nfs/dbraw/zinc/47/19/43/192471943.db2.gz GKPUPPGQPWKEDA-BXUZGUMPSA-N 0 0 307.369 2.074 10 10 DECERN CCOc1cn(-c2ccc(N)cc2)nc1C(=O)N1CCCC1 ZINC000097673639 402129543 /nfs/dbraw/zinc/12/95/43/402129543.db2.gz PZNYAQIUXFECPI-UHFFFAOYSA-N 0 0 300.362 2.089 10 10 DECERN CC(=O)c1cc(Cl)cc(CN2CCCC[C@]2(C)C(N)=O)c1O ZINC000185925229 402389805 /nfs/dbraw/zinc/38/98/05/402389805.db2.gz UJVIOOVHBPTKEH-MRXNPFEDSA-N 0 0 324.808 2.478 10 10 DECERN Cc1cnn([C@@H]2CCCN(C(=O)c3cccc(O)c3O)C2)c1 ZINC000187076855 402481498 /nfs/dbraw/zinc/48/14/98/402481498.db2.gz AYNAEHHTYUSWIU-GFCCVEGCSA-N 0 0 301.346 2.080 10 10 DECERN Cn1nccc1CNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000174938662 402765047 /nfs/dbraw/zinc/76/50/47/402765047.db2.gz GTFURSSOSFGNKV-UHFFFAOYSA-N 0 0 314.389 2.004 10 10 DECERN CCOc1cccc(CN2CCOC[C@@H]2c2nc(C)no2)c1O ZINC000188468567 225020067 /nfs/dbraw/zinc/02/00/67/225020067.db2.gz QUIMFPIQTOTTLD-CYBMUJFWSA-N 0 0 319.361 2.056 10 10 DECERN Cc1ccc(C)n1-c1ccc(C(=O)N2CC(n3ccnn3)C2)cc1 ZINC000368603070 533719647 /nfs/dbraw/zinc/71/96/47/533719647.db2.gz LLOMPIBTAVGGLE-UHFFFAOYSA-N 0 0 321.384 2.383 10 10 DECERN CO[C@@H]1C[C@H](c2nc(C)no2)N(Cc2cccc(C)c2O)C1 ZINC000190143142 523776829 /nfs/dbraw/zinc/77/68/29/523776829.db2.gz WZLIOUKTDHQVEZ-ZIAGYGMSSA-N 0 0 303.362 2.354 10 10 DECERN Cc1cc(Cl)cc(CN2CCS(=O)(=O)[C@H](C)[C@@H]2C)c1O ZINC000180351335 524865215 /nfs/dbraw/zinc/86/52/15/524865215.db2.gz BOAODEZEVDVTDT-WDEREUQCSA-N 0 0 317.838 2.361 10 10 DECERN C[C@@H]1C[N@H+](Cc2cccc(Cl)c2[O-])C[C@@H]1N1CCOCC1 ZINC000180655528 525003786 /nfs/dbraw/zinc/00/37/86/525003786.db2.gz WRWHWYVXNWEGBY-DOMZBBRYSA-N 0 0 310.825 2.198 10 10 DECERN Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1CCC[C@]2(O)CO ZINC000014719956 560224876 /nfs/dbraw/zinc/22/48/76/560224876.db2.gz TZHMQUSSYNZSTA-SFHVURJKSA-N 0 0 312.321 2.150 10 10 biogenic,in-vitro DECERN CCN1CN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)CC1=O ZINC000190493637 625482259 /nfs/dbraw/zinc/48/22/59/625482259.db2.gz GWIAUZVTRQEGCN-UHFFFAOYSA-N 0 0 311.385 2.356 10 10 DECERN COc1cc(N(C)Cc2cnc(C)nc2)cc(OC)c1OC ZINC000741798797 638015259 /nfs/dbraw/zinc/01/52/59/638015259.db2.gz NBAAKKJTCIZMBL-UHFFFAOYSA-N 0 0 303.362 2.447 10 10 DECERN CC(=O)C(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O ZINC000808009506 646019868 /nfs/dbraw/zinc/01/98/68/646019868.db2.gz JSISQNDQVHXNCD-UHFFFAOYSA-N 0 0 312.350 2.283 10 10 DECERN C[C@@H](COCc1ccccc1)NC(=O)c1cccc(O)c1O ZINC000193104697 684465040 /nfs/dbraw/zinc/46/50/40/684465040.db2.gz ITKJQZYAZNUCHX-LBPRGKRZSA-N 0 0 301.342 2.433 10 10 DECERN CCc1cnc(CCNC(=O)/C=C\c2ccc(O)c(O)c2)s1 ZINC000588405727 777081443 /nfs/dbraw/zinc/08/14/43/777081443.db2.gz NCXWDDRTISVINP-XQRVVYSFSA-N 0 0 318.398 2.489 10 10 DECERN COc1cnccc1[C@@H](C)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588550718 777399329 /nfs/dbraw/zinc/39/93/29/777399329.db2.gz XHYWWIKEPOWJLI-VLWUPBBWSA-N 0 0 314.341 2.392 10 10 DECERN C[C@H](C[N@H+](C)Cc1ccc(Br)cc1O)C(=O)[O-] ZINC000691438108 976355223 /nfs/dbraw/zinc/35/52/23/976355223.db2.gz VILQFISLBWTLEX-MRVPVSSYSA-N 0 0 302.168 2.307 10 10 DECERN O=C1/C(=C/c2ccccc2[N+](=O)[O-])SC(=S)N1CCCO ZINC000016904801 182064014 /nfs/dbraw/zinc/06/40/14/182064014.db2.gz WNKSJCJGRFHXAM-FLIBITNWSA-N 0 0 324.383 2.178 10 10 DECERN Cc1ccc(CN(C)CC(=O)NCc2ccc(N(C)C)cc2)o1 ZINC000007356335 401739075 /nfs/dbraw/zinc/73/90/75/401739075.db2.gz LCMUEJNYDBGIGH-UHFFFAOYSA-N 0 0 315.417 2.402 10 10 DECERN Cc1ccc(C)n1-c1ccc(C(=O)N2CCNC(=O)CC2)cc1 ZINC000065901665 402128266 /nfs/dbraw/zinc/12/82/66/402128266.db2.gz QUSRGRVPUMNSRI-UHFFFAOYSA-N 0 0 311.385 2.056 10 10 DECERN Cc1ccc(C(=O)N2CC[C@@H](Oc3cccnc3)C2)c(O)c1O ZINC000182809379 402718135 /nfs/dbraw/zinc/71/81/35/402718135.db2.gz VPTQICFSPWFBFW-CYBMUJFWSA-N 0 0 314.341 2.095 10 10 DECERN CCCN(Cc1ccccc1O)C(=O)CCc1ccnn1C ZINC000184320346 402835404 /nfs/dbraw/zinc/83/54/04/402835404.db2.gz KLDIXRQCKLNFJB-UHFFFAOYSA-N 0 0 301.390 2.497 10 10 DECERN Cc1cnc(CCN(C)C(=O)c2ccc(C)c(O)c2O)s1 ZINC000182902550 525993320 /nfs/dbraw/zinc/99/33/20/525993320.db2.gz ROPGMOJCCOFLCM-UHFFFAOYSA-N 0 0 306.387 2.486 10 10 DECERN CCCN(Cc1ccccc1O)C(=O)[C@H]1CCCCC(=O)N1 ZINC000194324072 528147303 /nfs/dbraw/zinc/14/73/03/528147303.db2.gz KAQNOHZDFLBTOJ-CQSZACIVSA-N 0 0 304.390 2.190 10 10 DECERN CCN(CC)c1ccc(CN2CCC[C@@H](O)[C@H]2C(=O)OC)cc1 ZINC000253293865 528299305 /nfs/dbraw/zinc/29/93/05/528299305.db2.gz AZLKWXLVKDVSEU-SJORKVTESA-N 0 0 320.433 2.031 10 10 DECERN COc1cccc(CNC(=O)[C@@H](C)n2nc(C)cc2C)c1O ZINC000178250158 625373189 /nfs/dbraw/zinc/37/31/89/625373189.db2.gz SXQOQRKSEVMCMG-GFCCVEGCSA-N 0 0 303.362 2.092 10 10 DECERN Cc1cc(=O)[nH]cc1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000177602317 625026079 /nfs/dbraw/zinc/02/60/79/625026079.db2.gz RQWMLVIDRCZCRF-UHFFFAOYSA-N 0 0 311.385 2.214 10 10 DECERN O=C(NCCCSc1nccs1)N[C@@H]1CCCOC1 ZINC000177820604 625093981 /nfs/dbraw/zinc/09/39/81/625093981.db2.gz WHMCMPBKFFRRBA-SNVBAGLBSA-N 0 0 301.437 2.104 10 10 DECERN CC(=O)N1CCCN(C(=O)/C=C/c2cnccn2)c2ccccc21 ZINC000741974327 638029656 /nfs/dbraw/zinc/02/96/56/638029656.db2.gz RDMAUTSHWCQNBG-BQYQJAHWSA-N 0 0 322.368 2.280 10 10 DECERN CN(C)c1cc(C(=O)NCc2ccccc2O)cc(Cl)n1 ZINC000733360822 649555450 /nfs/dbraw/zinc/55/54/50/649555450.db2.gz VRCONOUKXHVDQR-UHFFFAOYSA-N 0 0 305.765 2.437 10 10 DECERN C[C@@H](Oc1cccc(CO)c1)C(=O)N(C)Cc1ccccc1O ZINC000136461766 684239359 /nfs/dbraw/zinc/23/93/59/684239359.db2.gz TZRGXPSJMSLEAR-CYBMUJFWSA-N 0 0 315.369 2.310 10 10 DECERN CN1CCC[C@@H]([NH2+]Cc2cc(Br)cc(F)c2[O-])C1 ZINC000715817762 792524566 /nfs/dbraw/zinc/52/45/66/792524566.db2.gz JILMNYFRYKBHMZ-LLVKDONJSA-N 0 0 317.202 2.478 10 10 DECERN C[C@@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)[C@@H]1CCCO1 ZINC000045683620 354260471 /nfs/dbraw/zinc/26/04/71/354260471.db2.gz XNOXTSIYVYLHKA-CJNGLKHVSA-N 0 0 305.422 2.462 10 10 DECERN CNc1ccc(NCCCO)c2c1C(=O)c1ccccc1C2=O ZINC000005115518 181204997 /nfs/dbraw/zinc/20/49/97/181204997.db2.gz AWFZMEBVAIDNSS-UHFFFAOYSA-N 0 0 310.353 2.298 10 10 DECERN CCC(=O)Nc1ccc(N=CC2C(=O)OC(C)(C)OC2=O)cc1 ZINC000013614252 181868997 /nfs/dbraw/zinc/86/89/97/181868997.db2.gz XGYJTCDNOICGJK-UHFFFAOYSA-N 0 0 318.329 2.167 10 10 DECERN CC(=O)c1nc2ccccc2n1C(=O)c1cc(O)c(O)c(O)c1 ZINC000039763594 183021451 /nfs/dbraw/zinc/02/14/51/183021451.db2.gz FOLZNTJBIDSALD-UHFFFAOYSA-N 0 0 312.281 2.044 10 10 DECERN C[C@@H](C(=O)Nc1ccc(N)cc1)N(CCO)Cc1ccccc1 ZINC000062460459 184238110 /nfs/dbraw/zinc/23/81/10/184238110.db2.gz PPKIDSSKARIGGG-AWEZNQCLSA-N 0 0 313.401 2.090 10 10 DECERN NC(=O)[C@H]1Cc2ccccc2CN1Cc1cc(Cl)ccc1O ZINC000119793548 401967151 /nfs/dbraw/zinc/96/71/51/401967151.db2.gz LPLKXBYVERSGQU-OAHLLOKOSA-N 0 0 316.788 2.458 10 10 DECERN CN(C[C@@H](O)COCc1ccccc1)c1ccc2c(c1)OCO2 ZINC000121253190 402023467 /nfs/dbraw/zinc/02/34/67/402023467.db2.gz FDGGLFITOZRNGS-MRXNPFEDSA-N 0 0 315.369 2.429 10 10 DECERN CCc1nc(C2(NC(=O)c3cccc(O)c3O)CCCC2)no1 ZINC000185800876 402378495 /nfs/dbraw/zinc/37/84/95/402378495.db2.gz LBBHEMCDERJLJL-UHFFFAOYSA-N 0 0 317.345 2.243 10 10 DECERN CC1(CNC(=O)NCc2ccc(N3CCCC3)cc2)COC1 ZINC000171851275 402628505 /nfs/dbraw/zinc/62/85/05/402628505.db2.gz FRUWHVVTBPKWQE-UHFFFAOYSA-N 0 0 303.406 2.123 10 10 DECERN COc1cc([N+](=O)[O-])c(N2CC[C@@H](C)[C@@H](OC)C2)cc1OC ZINC000275969988 295027337 /nfs/dbraw/zinc/02/73/37/295027337.db2.gz HHGLSXSRDYGXOG-BMIGLBTASA-N 0 0 310.350 2.473 10 10 DECERN C[N@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])CC1(CO)CC1 ZINC000188952506 523172025 /nfs/dbraw/zinc/17/20/25/523172025.db2.gz XQYNJIVLDLLWGS-UHFFFAOYSA-N 0 0 300.742 2.158 10 10 DECERN CCn1cc([C@H]2CN(Cc3cc(OC)ccc3O)CCO2)cn1 ZINC000191708844 523481837 /nfs/dbraw/zinc/48/18/37/523481837.db2.gz ZXTQWMFYKNEXMQ-QGZVFWFLSA-N 0 0 317.389 2.191 10 10 DECERN COc1ccc(O)c(CN2C[C@H](OC)C[C@H]2c2nc(C)no2)c1 ZINC000190155916 524749699 /nfs/dbraw/zinc/74/96/99/524749699.db2.gz MQQMUROHASFBIB-KGLIPLIRSA-N 0 0 319.361 2.054 10 10 DECERN O=C(/C=C/c1ccc(O)c(O)c1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000180671633 527613923 /nfs/dbraw/zinc/61/39/23/527613923.db2.gz LJKRUVICIYRHGI-HDZMBNNRSA-N 0 0 303.358 2.281 10 10 DECERN COc1ccc(O)c([C@@H](C)NCc2nnc(C3CC3)n2C)c1 ZINC000182321825 648873650 /nfs/dbraw/zinc/87/36/50/648873650.db2.gz UKOUQCNJDRWZGN-SNVBAGLBSA-N 0 0 302.378 2.258 10 10 DECERN CC(C)(C)c1cc(O)c(O)c(CN2CCO[C@@]3(CCOC3)C2)c1 ZINC000184276359 649250127 /nfs/dbraw/zinc/25/01/27/649250127.db2.gz APSHTCFRDSICCV-SFHVURJKSA-N 0 0 321.417 2.387 10 10 DECERN O=C(c1cccc(O)c1O)N1CCS[C@@H](C(F)(F)F)C1 ZINC000721448169 777016470 /nfs/dbraw/zinc/01/64/70/777016470.db2.gz MTQFVWCHVNJYOL-SECBINFHSA-N 0 0 307.293 2.218 10 10 DECERN Cc1noc([C@H](NC(=O)c2ccc(C)c(O)c2O)C(C)C)n1 ZINC000182430037 801833933 /nfs/dbraw/zinc/83/39/33/801833933.db2.gz GDEQQKJWTKBXCD-LLVKDONJSA-N 0 0 305.334 2.225 10 10 DECERN CS(=O)(=O)c1ccc(C(=O)C(=O)c2ccc(F)cc2)cc1 ZINC000039175362 354168819 /nfs/dbraw/zinc/16/88/19/354168819.db2.gz UKEKDJVEOZLJCQ-UHFFFAOYSA-N 0 0 306.314 2.295 10 10 DECERN C[C@H]1OCCC[C@@H]1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000188482943 291197003 /nfs/dbraw/zinc/19/70/03/291197003.db2.gz OHBDMAWJMMZSKW-OCCSQVGLSA-N 0 0 304.390 2.293 10 10 DECERN COC[C@@](C)(CCO)[NH2+]Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000085902958 401919909 /nfs/dbraw/zinc/91/99/09/401919909.db2.gz PVNNPCLOWOXGJO-OAHLLOKOSA-N 0 0 315.797 2.125 10 10 DECERN O=[N+]([O-])c1cc(Cl)cc(CN2CC[N@@H+]3CCC[C@@H]3C2)c1[O-] ZINC000179546893 402594182 /nfs/dbraw/zinc/59/41/82/402594182.db2.gz XXPXFEKNVNWYRB-GFCCVEGCSA-N 0 0 311.769 2.234 10 10 DECERN Cc1noc([C@H]2COCCN2Cc2ccc(N(C)C)cc2)n1 ZINC000188481739 225022718 /nfs/dbraw/zinc/02/27/18/225022718.db2.gz KPTLNGUMVIMJSL-OAHLLOKOSA-N 0 0 302.378 2.018 10 10 DECERN Nc1ccc(NS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000584595185 337373990 /nfs/dbraw/zinc/37/39/90/337373990.db2.gz YVSWJKYJMYGRPA-UHFFFAOYSA-N 0 0 321.358 2.161 10 10 DECERN CN(Cc1cc(-c2cnn(C)c2)no1)c1ccc2c(c1)OCO2 ZINC000185043080 523164418 /nfs/dbraw/zinc/16/44/18/523164418.db2.gz HZQLSTBEYODOPT-UHFFFAOYSA-N 0 0 312.329 2.440 10 10 DECERN Cc1ccc(C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c(O)c1O ZINC000182824795 526127096 /nfs/dbraw/zinc/12/70/96/526127096.db2.gz XFIGDWZHKAEASA-PXAZEXFGSA-N 0 0 305.374 2.173 10 10 DECERN O=C(/C=C/c1ccc(O)c(O)c1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000180671669 527614161 /nfs/dbraw/zinc/61/41/61/527614161.db2.gz LJKRUVICIYRHGI-BHDDWZGFSA-N 0 0 303.358 2.281 10 10 DECERN CCc1nc(CNC(=O)/C=C/c2ccc(O)c(O)c2)cs1 ZINC000180763592 625196739 /nfs/dbraw/zinc/19/67/39/625196739.db2.gz YGMSYZHOJQUUGG-GQCTYLIASA-N 0 0 304.371 2.446 10 10 DECERN CC[C@H]1COCCN1c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] ZINC000734482839 633374420 /nfs/dbraw/zinc/37/44/20/633374420.db2.gz JHOJZQZOCNDOIR-VGVVRCBHSA-N 0 0 320.345 2.396 10 10 DECERN NC(=O)c1ccc(NC(=S)NNc2cccc(F)c2F)cc1 ZINC000743003956 638109730 /nfs/dbraw/zinc/10/97/30/638109730.db2.gz FUWGXWZXODDNTK-UHFFFAOYSA-N 0 0 322.340 2.377 10 10 DECERN CCOc1ccc(N(CC)C[C@H](O)COC[C@H]2CCCO2)cc1 ZINC000747683201 638463440 /nfs/dbraw/zinc/46/34/40/638463440.db2.gz SWQWEVXXXZKTFE-FUHWJXTLSA-N 0 0 323.433 2.468 10 10 DECERN COC(=O)/C(C)=C\CN(C)c1cc(OC)c(OC)c(OC)c1 ZINC000748821194 638595978 /nfs/dbraw/zinc/59/59/78/638595978.db2.gz LBQATTVOUIFJBA-XFFZJAGNSA-N 0 0 309.362 2.268 10 10 DECERN c1cc(N2CCCCC2)ccc1CN1C[C@@H]2COC[C@H](C1)O2 ZINC000802657422 645540544 /nfs/dbraw/zinc/54/05/44/645540544.db2.gz CUPWPLLAEOYMAC-HDICACEKSA-N 0 0 302.418 2.277 10 10 DECERN CCCN(Cc1ccccc1O)C(=O)c1nc(C)c(C)[nH]c1=O ZINC000156868112 646474381 /nfs/dbraw/zinc/47/43/81/646474381.db2.gz JTSNLCMAGBHZSW-UHFFFAOYSA-N 0 0 315.373 2.145 10 10 DECERN CCC(C)(C)NC(=O)CN1CCOc2cc(N(C)C)ccc21 ZINC000175026664 648331091 /nfs/dbraw/zinc/33/10/91/648331091.db2.gz ZKFPEPRYMODTJU-UHFFFAOYSA-N 0 0 305.422 2.256 10 10 DECERN CCC[C@](C)(NCc1ccc(N2CCOCC2)cc1)C(=O)OC ZINC000184045714 649229108 /nfs/dbraw/zinc/22/91/08/649229108.db2.gz MHXANAZMQANCQH-SFHVURJKSA-N 0 0 320.433 2.345 10 10 DECERN CNC(=O)c1cncc(/C=C/C(=O)N2CCc3c2cccc3C)c1 ZINC000110257828 652264905 /nfs/dbraw/zinc/26/49/05/652264905.db2.gz GBXWRSJYCHILIJ-VOTSOKGWSA-N 0 0 321.380 2.352 10 10 DECERN COc1ccc(N(C)Cc2nsc(N(C)C)n2)c(OC)c1 ZINC000131567171 684200696 /nfs/dbraw/zinc/20/06/96/684200696.db2.gz JVASLGMJOFWQCI-UHFFFAOYSA-N 0 0 308.407 2.258 10 10 DECERN [O-]c1c(Br)cccc1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000245871989 685119845 /nfs/dbraw/zinc/11/98/45/685119845.db2.gz GZEWXLZBZPGVHJ-LBPRGKRZSA-N 0 0 311.223 2.435 10 10 DECERN O=C(/C=C\c1ccncn1)NCCCSc1nccs1 ZINC000588393807 777047802 /nfs/dbraw/zinc/04/78/02/777047802.db2.gz XWVNNIYFYRXDHS-IHWYPQMZSA-N 0 0 306.416 2.245 10 10 DECERN CCN1CC[C@@H]1C[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000715790519 792511052 /nfs/dbraw/zinc/51/10/52/792511052.db2.gz BAWAWVCBMHMKGI-LLVKDONJSA-N 0 0 317.202 2.478 10 10 DECERN O=C([O-])[C@H]1CC[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000691413259 954684374 /nfs/dbraw/zinc/68/43/74/954684374.db2.gz JPEBWHDFABVPMI-VIFPVBQESA-N 0 0 300.152 2.061 10 10 DECERN C[C@@]1(C(=O)[O-])CC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000691414197 976354348 /nfs/dbraw/zinc/35/43/48/976354348.db2.gz MWCRBHMHCBNLKQ-CYBMUJFWSA-N 0 0 314.179 2.451 10 10 DECERN O=C1COc2cc([N+](=O)[O-])c(N3CCCC4(CC4)C3)cc2N1 ZINC000302229708 284829422 /nfs/dbraw/zinc/82/94/22/284829422.db2.gz BFGIXTNYCLBNBK-UHFFFAOYSA-N 0 0 303.318 2.306 10 10 DECERN CC(=O)c1cc(F)cc(CN2CCO[C@@]3(CCCOC3)C2)c1O ZINC000285378123 131162756 /nfs/dbraw/zinc/16/27/56/131162756.db2.gz RLAKYUZDVFBSPV-KRWDZBQOSA-N 0 0 323.364 2.115 10 10 DECERN C[C@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)C[C@H](C)O1 ZINC000127934984 401756046 /nfs/dbraw/zinc/75/60/46/401756046.db2.gz ALHVIRHFQDABNB-GJZGRUSLSA-N 0 0 315.417 2.382 10 10 DECERN CCCN(CCC)c1ccc([C@H]2NC(=O)[C@H]3COCCN32)cc1 ZINC000093885007 402020878 /nfs/dbraw/zinc/02/08/78/402020878.db2.gz KZPVHQSRTAAUIL-SJORKVTESA-N 0 0 317.433 2.142 10 10 DECERN CC(C)[C@H](O)CNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000172604535 402665652 /nfs/dbraw/zinc/66/56/52/402665652.db2.gz BVMCVIADWYOVKR-MRXNPFEDSA-N 0 0 305.422 2.103 10 10 DECERN CCOc1cccc(CN2CCOC[C@H]2c2nc(C)no2)c1O ZINC000188468589 225020295 /nfs/dbraw/zinc/02/02/95/225020295.db2.gz QUIMFPIQTOTTLD-ZDUSSCGKSA-N 0 0 319.361 2.056 10 10 DECERN C[C@@H]1CCOCCN1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000371543801 227075810 /nfs/dbraw/zinc/07/58/10/227075810.db2.gz OYUDXOGCTGZGCV-GFCCVEGCSA-N 0 0 309.385 2.212 10 10 DECERN COc1cccc(CNC(=O)Nc2ncn(C(C)(C)C)n2)c1O ZINC000753001330 639246133 /nfs/dbraw/zinc/24/61/33/639246133.db2.gz KPHMFLXKKUWDJO-UHFFFAOYSA-N 0 0 319.365 2.069 10 10 DECERN CC(=O)c1cc(F)cc(CN2CCO[C@@H](C(F)F)C2)c1O ZINC000801559152 645414310 /nfs/dbraw/zinc/41/43/10/645414310.db2.gz DIZCZIQXMAQTNB-GFCCVEGCSA-N 0 0 303.280 2.200 10 10 DECERN CC[C@H]1CN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])CCO1 ZINC000029524543 646300756 /nfs/dbraw/zinc/30/07/56/646300756.db2.gz ADJXIBOSDOGVAW-IYNGYCSASA-N 0 0 320.345 2.396 10 10 DECERN Oc1ccc(Cl)cc1CN1CCO[C@H](Cn2cccn2)C1 ZINC000122222102 684113486 /nfs/dbraw/zinc/11/34/86/684113486.db2.gz GYBDREFKDLLSLE-AWEZNQCLSA-N 0 0 307.781 2.143 10 10 DECERN C[C@H]([NH2+]CC(C)(C)CS(C)(=O)=O)c1ccc(F)cc1[O-] ZINC000723884823 777201451 /nfs/dbraw/zinc/20/14/51/777201451.db2.gz ZXGFLRAJKBFGOS-JTQLQIEISA-N 0 0 303.399 2.253 10 10 DECERN [O-]c1c(Br)cccc1CN1CC[NH+]2CCC1CC2 ZINC000722809128 787337880 /nfs/dbraw/zinc/33/78/80/787337880.db2.gz GTKSVWUYNMOHTE-UHFFFAOYSA-N 0 0 311.223 2.435 10 10 DECERN COc1cccc(CNc2ccc([N+](=O)[O-])cc2C(N)=O)c1O ZINC000091479222 355597908 /nfs/dbraw/zinc/59/79/08/355597908.db2.gz YBALTSSMFMGVBV-UHFFFAOYSA-N 0 0 317.301 2.020 10 10 DECERN COc1cccc(CNc2cncc(-n3ccnc3C)n2)c1O ZINC000091479406 355598388 /nfs/dbraw/zinc/59/83/88/355598388.db2.gz UDAWNVMBNQQUTB-UHFFFAOYSA-N 0 0 311.345 2.297 10 10 DECERN CN(C)c1ccc(/N=N/c2ccc(S(=O)(=O)NN)cc2)cc1 ZINC000005140528 181208506 /nfs/dbraw/zinc/20/85/06/181208506.db2.gz YSSCSLXHGSTCDV-WUKNDPDISA-N 0 0 319.390 2.320 10 10 DECERN COc1ccc(C(=O)Nc2cc(=O)n(-c3ccccc3)[nH]2)cc1 ZINC000005526888 181253859 /nfs/dbraw/zinc/25/38/59/181253859.db2.gz QBRJOSAINDJQEA-UHFFFAOYSA-N 0 0 309.325 2.175 10 10 DECERN CO[C@@H]1C[C@H](c2nc(C)no2)N(Cc2ccc(N(C)C)cc2)C1 ZINC000190157670 532969354 /nfs/dbraw/zinc/96/93/54/532969354.db2.gz GUCJWRSUWWOQAK-HZPDHXFCSA-N 0 0 316.405 2.406 10 10 DECERN COc1cccc(CNC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c1O ZINC000246574991 533499542 /nfs/dbraw/zinc/49/95/42/533499542.db2.gz ZPCGUUFOZORKAG-NILFDRSVSA-N 0 0 320.389 2.014 10 10 DECERN O=C(C1CCCC1)N1CCN(c2ccc3c(c2)CC(=O)N3)CC1 ZINC000062575912 134811159 /nfs/dbraw/zinc/81/11/59/134811159.db2.gz UQRDYVKCAUOGEE-UHFFFAOYSA-N 0 0 313.401 2.020 10 10 DECERN Cc1cc(C(=O)NCc2noc(C)n2)c(C)n1-c1ccccn1 ZINC000118646207 401903446 /nfs/dbraw/zinc/90/34/46/401903446.db2.gz HZHBAIPZRKLXIY-UHFFFAOYSA-N 0 0 311.345 2.111 10 10 DECERN Cn1nccc1CCC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000185711360 402370970 /nfs/dbraw/zinc/37/09/70/402370970.db2.gz UCXDMHYIMLRITD-UHFFFAOYSA-N 0 0 312.417 2.269 10 10 DECERN COc1ccc(N2CCCN(C(=O)C(C)(C)OC)CC2)cc1 ZINC000170963496 402545552 /nfs/dbraw/zinc/54/55/52/402545552.db2.gz XBMGMBJNTRZRPJ-UHFFFAOYSA-N 0 0 306.406 2.159 10 10 DECERN C[C@@H](Nc1cncc(OCCO)n1)c1ccc(N(C)C)cc1 ZINC000302543748 403711787 /nfs/dbraw/zinc/71/17/87/403711787.db2.gz OLNPAXWNULLMND-GFCCVEGCSA-N 0 0 302.378 2.087 10 10 DECERN O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000181216081 527613500 /nfs/dbraw/zinc/61/35/00/527613500.db2.gz LKKOZOFVYBUDBA-YMOJXRKHSA-N 0 0 317.385 2.265 10 10 DECERN C[C@@H](NC(=O)NCCCSc1nccs1)[C@@H]1CCCO1 ZINC000152379101 647149278 /nfs/dbraw/zinc/14/92/78/647149278.db2.gz LIOTZSPPCQASBS-MNOVXSKESA-N 0 0 315.464 2.492 10 10 DECERN C[C@H]1CC[C@@H](C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)O1 ZINC000124982134 684140688 /nfs/dbraw/zinc/14/06/88/684140688.db2.gz ULWJITABVDVRQA-YOEHRIQHSA-N 0 0 318.417 2.049 10 10 DECERN CN(Cc1ccco1)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000129204320 684176964 /nfs/dbraw/zinc/17/69/64/684176964.db2.gz GMSXOYNZUMUADP-UHFFFAOYSA-N 0 0 303.274 2.155 10 10 DECERN COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CCCc3n[nH]cc32)c1 ZINC000136747746 684241217 /nfs/dbraw/zinc/24/12/17/684241217.db2.gz WHICTBHCTIGBID-PWSUYJOCSA-N 0 0 315.373 2.421 10 10 DECERN CC(C)Oc1cccnc1C(=O)NCCc1ccc(O)c(O)c1 ZINC000156738460 684291658 /nfs/dbraw/zinc/29/16/58/684291658.db2.gz MEFKMJAJYROGMW-UHFFFAOYSA-N 0 0 316.357 2.253 10 10 DECERN CC(NC1CC1)=C1C(C)=NN(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000003833548 181048132 /nfs/dbraw/zinc/04/81/32/181048132.db2.gz GWOCEXGIDGWKIK-NTEUORMPSA-N 0 0 300.318 2.343 10 10 DECERN CCN(CC)c1ccc(CN2CCC[C@@H]2C(=O)NC)cc1F ZINC000092097895 193157232 /nfs/dbraw/zinc/15/72/32/193157232.db2.gz IUFIKIBKLOUTRN-MRXNPFEDSA-N 0 0 307.413 2.382 10 10 DECERN CN(C)c1ccc(CNC(=O)[C@@H]2CCCc3n[nH]cc32)cc1F ZINC000133952779 401897001 /nfs/dbraw/zinc/89/70/01/401897001.db2.gz NHPOATFPEDIFEQ-GFCCVEGCSA-N 0 0 316.380 2.351 10 10 DECERN Cc1nnc([C@@H]2CN(Cc3cc(Cl)cc(C)c3O)CCO2)[nH]1 ZINC000180612842 402621632 /nfs/dbraw/zinc/62/16/32/402621632.db2.gz ZFKKDRXIUWARCX-ZDUSSCGKSA-N 0 0 322.796 2.354 10 10 DECERN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H]1CCCOC1 ZINC000172702996 402670653 /nfs/dbraw/zinc/67/06/53/402670653.db2.gz CVZFVGIIFAZZLL-HNNXBMFYSA-N 0 0 301.390 2.041 10 10 DECERN CC1(C)OC(=O)C(=Cc2ccc(N3CCCCC3)o2)C(=O)O1 ZINC000000752036 278409243 /nfs/dbraw/zinc/40/92/43/278409243.db2.gz NYEKKVKVJYMZKP-UHFFFAOYSA-N 0 0 305.330 2.489 10 10 DECERN [NH3+][C@H](CO)c1cc(Cl)c(Cl)c(Br)c1[O-] ZINC000072199773 295332030 /nfs/dbraw/zinc/33/20/30/295332030.db2.gz QIPXZSUYMAPRSQ-RXMQYKEDSA-N 0 0 300.967 2.454 10 10 DECERN COc1ccc(O)c(CN2C[C@H](OC)C[C@@H]2c2nc(C)no2)c1 ZINC000190155939 524750388 /nfs/dbraw/zinc/75/03/88/524750388.db2.gz MQQMUROHASFBIB-ZIAGYGMSSA-N 0 0 319.361 2.054 10 10 DECERN CC(C)C[C@@H](CO)N(C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000185624612 528334799 /nfs/dbraw/zinc/33/47/99/528334799.db2.gz IOUPFTJLPHFKHP-INIZCTEOSA-N 0 0 307.438 2.301 10 10 DECERN Cc1cccc(S(=O)(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000187045616 625414885 /nfs/dbraw/zinc/41/48/85/625414885.db2.gz NBKQZXGEJJZYMB-UHFFFAOYSA-N 0 0 308.315 2.410 10 10 DECERN C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)CSc1nccs1 ZINC000255299384 624135690 /nfs/dbraw/zinc/13/56/90/624135690.db2.gz HXPKFNGHQFBAGH-VIFPVBQESA-N 0 0 308.432 2.463 10 10 DECERN Cc1nn(C)c(C)c1CCNC(=O)N(C)Cc1ccccc1O ZINC000122511508 625778612 /nfs/dbraw/zinc/77/86/12/625778612.db2.gz NURNPJFTEDZAHC-UHFFFAOYSA-N 0 0 316.405 2.127 10 10 DECERN COc1ccc(O)c(CNC(=O)NC[C@@H]2CCC(C)(C)O2)c1 ZINC000187106769 637008496 /nfs/dbraw/zinc/00/84/96/637008496.db2.gz JMNXFNYNYKVVTK-ZDUSSCGKSA-N 0 0 308.378 2.158 10 10 DECERN COc1ccc(O)c(CNC(=O)Nc2ccc3nccn3c2)c1 ZINC000738949419 637545409 /nfs/dbraw/zinc/54/54/09/637545409.db2.gz NAFBRDNBOSZHGT-UHFFFAOYSA-N 0 0 312.329 2.370 10 10 DECERN Cc1ccn2ncc(C(=O)NCc3ccc(N(C)C)cc3)c2n1 ZINC000170808737 646668443 /nfs/dbraw/zinc/66/84/43/646668443.db2.gz JEUQIJBBSRDJKK-UHFFFAOYSA-N 0 0 309.373 2.034 10 10 DECERN O=C(NCc1c(O)ccc2c1CCCC2)Nc1nncs1 ZINC000174132848 646792663 /nfs/dbraw/zinc/79/26/63/646792663.db2.gz NRGZXIGKRSEVNM-UHFFFAOYSA-N 0 0 304.375 2.444 10 10 DECERN C[C@@H]1CC[C@H](C(=O)NCc2ccc(N3CCSCC3)cc2)O1 ZINC000132741643 684212638 /nfs/dbraw/zinc/21/26/38/684212638.db2.gz UEZKCYADCYQLPE-CZUORRHYSA-N 0 0 320.458 2.424 10 10 DECERN C[C@@H](NC(=O)c1cccc(O)c1O)c1ccc(-n2ccnn2)cc1 ZINC000193147984 685033509 /nfs/dbraw/zinc/03/35/09/685033509.db2.gz PNPRKCIRYWHZOA-LLVKDONJSA-N 0 0 324.340 2.170 10 10 DECERN CCN(CC)c1ccc(CNC(=O)[C@H]2CCCN2C(C)=O)cc1 ZINC000194648555 685073434 /nfs/dbraw/zinc/07/34/34/685073434.db2.gz KAGSQTFJTKGTBS-QGZVFWFLSA-N 0 0 317.433 2.160 10 10 DECERN CN(C)c1ccc(CNC(=O)/C=C\c2ccncn2)cc1F ZINC000588439848 777195077 /nfs/dbraw/zinc/19/50/77/777195077.db2.gz BVGGBEMZBFSAGF-XQRVVYSFSA-N 0 0 300.337 2.011 10 10 DECERN C[C@@H](CO)[C@@H](C)[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000715779811 792511721 /nfs/dbraw/zinc/51/17/21/792511721.db2.gz UMXQACACBCBNSD-JGVFFNPUSA-N 0 0 306.175 2.400 10 10 DECERN CCC(=O)NN1C(=O)/C(=C\c2ccc(OC)cc2)SC1=S ZINC000005241478 181220827 /nfs/dbraw/zinc/22/08/27/181220827.db2.gz JAMBJVYDKPIIJJ-DHZHZOJOSA-N 0 0 322.411 2.338 10 10 DECERN CCN1C(=O)/C(=C/c2ccc(OC)cc2)C(C(=O)OC)=C1C ZINC000033286384 182700347 /nfs/dbraw/zinc/70/03/47/182700347.db2.gz UFCFCNCPGZGYMD-GXDHUFHOSA-N 0 0 301.342 2.388 10 10 DECERN COc1cc(N(C)C[C@H](O)C(F)(F)F)cc(OC)c1OC ZINC000121368371 402031418 /nfs/dbraw/zinc/03/14/18/402031418.db2.gz SOECQIUKWUEEGJ-NSHDSACASA-N 0 0 309.284 2.072 10 10 DECERN Cc1cc(Cl)cc(CN2CCS(=O)(=O)CC[C@H]2C)c1O ZINC000192057350 402708535 /nfs/dbraw/zinc/70/85/35/402708535.db2.gz KXHRWDSCZLGTQD-LLVKDONJSA-N 0 0 317.838 2.363 10 10 DECERN CC(=O)c1cc(F)cc(CN2CCn3cc(C)nc3C2)c1O ZINC000374699241 332260655 /nfs/dbraw/zinc/26/06/55/332260655.db2.gz LDDCLAQKQILDPM-UHFFFAOYSA-N 0 0 303.337 2.255 10 10 DECERN c1nc([C@H]2CCCN2Cc2ccc(N3CCOCC3)cc2)no1 ZINC000371382451 534534959 /nfs/dbraw/zinc/53/49/59/534534959.db2.gz IWRYACVDPTUECV-MRXNPFEDSA-N 0 0 314.389 2.243 10 10 DECERN CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)Cc2ccc(N)cc2)C1 ZINC000262634925 523645604 /nfs/dbraw/zinc/64/56/04/523645604.db2.gz OMEDFZYGGAPILW-ZSDSOXJFSA-N 0 0 308.447 2.007 10 10 DECERN COc1ccc(O)c(CNC(=O)c2snnc2C(C)(C)C)c1 ZINC000189385474 625470969 /nfs/dbraw/zinc/47/09/69/625470969.db2.gz KIUUFOKVKOKOTM-UHFFFAOYSA-N 0 0 321.402 2.480 10 10 DECERN COc1ccc(N2CCCN(C(=O)[C@@H]3CC[C@H](C)O3)CC2)cc1 ZINC000178127051 625133268 /nfs/dbraw/zinc/13/32/68/625133268.db2.gz ZMWGPUZZKLIUER-YOEHRIQHSA-N 0 0 318.417 2.301 10 10 DECERN COc1ccc(O)c(CNC(=O)Nc2c(C)nn(C)c2C)c1 ZINC000734067628 633328764 /nfs/dbraw/zinc/32/87/64/633328764.db2.gz POKUTKZIHZIUEN-UHFFFAOYSA-N 0 0 304.350 2.073 10 10 DECERN COc1ccc(O)c(CNC(=O)NCCCc2ccccn2)c1 ZINC000179227078 640605790 /nfs/dbraw/zinc/60/57/90/640605790.db2.gz XMFFKSZGDAIUQV-UHFFFAOYSA-N 0 0 315.373 2.228 10 10 DECERN CS(=O)(=O)c1ccc(C[NH2+]Cc2cccc(F)c2[O-])cc1 ZINC000165035979 646482777 /nfs/dbraw/zinc/48/27/77/646482777.db2.gz JZPYSUVYHXAASI-UHFFFAOYSA-N 0 0 309.362 2.225 10 10 DECERN CCCCN(CCO)c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC000172820869 646751729 /nfs/dbraw/zinc/75/17/29/646751729.db2.gz OZZTXOTUPLMTES-SOFGYWHQSA-N 0 0 322.361 2.380 10 10 DECERN Cc1cc(=O)[nH]cc1C(=O)NCCCSc1nccs1 ZINC000129825876 684182330 /nfs/dbraw/zinc/18/23/30/684182330.db2.gz PQTOMYXKGSIVBN-UHFFFAOYSA-N 0 0 309.416 2.052 10 10 DECERN COc1cnccc1[C@H](C)NC(=O)c1ccc(C)c(O)c1O ZINC000189570858 684384593 /nfs/dbraw/zinc/38/45/93/684384593.db2.gz WTJWZLPMUIMOAY-JTQLQIEISA-N 0 0 302.330 2.301 10 10 DECERN CNC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000398461463 790276179 /nfs/dbraw/zinc/27/61/79/790276179.db2.gz JHMGSVNIQNLRHQ-MRVPVSSYSA-N 0 0 303.189 2.267 10 10 DECERN Cc1noc([C@@H](NC(=O)c2ccc(C)c(O)c2O)C(C)C)n1 ZINC000182430058 801833503 /nfs/dbraw/zinc/83/35/03/801833503.db2.gz GDEQQKJWTKBXCD-NSHDSACASA-N 0 0 305.334 2.225 10 10 DECERN CC(=O)N(CCOc1ccc(N)cc1)CCc1ccc(N)cc1 ZINC000036470358 354165512 /nfs/dbraw/zinc/16/55/12/354165512.db2.gz MQRXFBSRIKMBAL-UHFFFAOYSA-N 0 0 313.401 2.321 10 10 DECERN Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1CCC[C@@]2(O)CO ZINC000014719954 401812915 /nfs/dbraw/zinc/81/29/15/401812915.db2.gz TZHMQUSSYNZSTA-GOSISDBHSA-N 0 0 312.321 2.150 10 10 biogenic,in-vitro DECERN O=C(N[C@@H]1CCCC[C@H]1n1cccn1)c1cccc(O)c1O ZINC000187160484 402485813 /nfs/dbraw/zinc/48/58/13/402485813.db2.gz NKUHHOSHAKJIMU-CHWSQXEVSA-N 0 0 301.346 2.208 10 10 DECERN O=C(c1cccc(O)c1O)N1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000193133319 402766658 /nfs/dbraw/zinc/76/66/58/402766658.db2.gz YYQGSPCHBDEITK-SMDDNHRTSA-N 0 0 317.341 2.419 10 10 DECERN O=C1CS[C@H](c2ccccc2O)N1c1[nH]nc2ncccc21 ZINC000584653190 337381115 /nfs/dbraw/zinc/38/11/15/337381115.db2.gz LRJWBYHUGMKVAW-OAHLLOKOSA-N 0 0 312.354 2.442 10 10 DECERN CC(=O)NC1CN(C(=O)c2sccc2-n2c(C)ccc2C)C1 ZINC000190497606 519649682 /nfs/dbraw/zinc/64/96/82/519649682.db2.gz KEGWVUJYEDPBBF-UHFFFAOYSA-N 0 0 317.414 2.116 10 10 DECERN CO[C@H]1C[C@H](c2nc(C)no2)N(Cc2cc(C)ccc2O)C1 ZINC000190149784 524021858 /nfs/dbraw/zinc/02/18/58/524021858.db2.gz AJIVHYKBGLEJGW-UONOGXRCSA-N 0 0 303.362 2.354 10 10 DECERN COc1ccc(O)c(CN2CCO[C@@H](c3nccs3)C2)c1 ZINC000180007840 524742101 /nfs/dbraw/zinc/74/21/01/524742101.db2.gz HHADASSNRQHBCB-CQSZACIVSA-N 0 0 306.387 2.431 10 10 DECERN CCC1=NN2C(=NC(=O)/C(=C/c3ccc(O)cc3)C2=N)S1 ZINC000053224725 625411780 /nfs/dbraw/zinc/41/17/80/625411780.db2.gz FZHLGMJAWAGIDG-UXSUIVTHSA-N 0 0 300.343 2.421 10 10 DECERN Cc1cc(N(C)C)ccc1CNC(=O)N(C)Cc1cnccn1 ZINC000735581994 633519233 /nfs/dbraw/zinc/51/92/33/633519233.db2.gz CGRIFAPSJOHDLU-UHFFFAOYSA-N 0 0 313.405 2.193 10 10 DECERN COC(=O)c1coc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000186406541 634212251 /nfs/dbraw/zinc/21/22/51/634212251.db2.gz MJGHYFRJVGJVHV-UHFFFAOYSA-N 0 0 316.357 2.404 10 10 DECERN CN1CCCc2cc(CNC(=O)NCC3(CCO)CC3)ccc21 ZINC000186648583 636497342 /nfs/dbraw/zinc/49/73/42/636497342.db2.gz UFPPQUHVTZVEFV-UHFFFAOYSA-N 0 0 317.433 2.031 10 10 DECERN COCC[C@@H](COC)[NH2+]Cc1cccc(Br)c1[O-] ZINC000311140252 646402474 /nfs/dbraw/zinc/40/24/74/646402474.db2.gz YLIOZMDFFOMNRY-NSHDSACASA-N 0 0 318.211 2.296 10 10 DECERN CCc1cnc(CCNC(=O)/C=C/c2ccc(O)c(O)c2)s1 ZINC000180823816 648518591 /nfs/dbraw/zinc/51/85/91/648518591.db2.gz NCXWDDRTISVINP-GQCTYLIASA-N 0 0 318.398 2.489 10 10 DECERN Cc1ccc(C(=O)NCCOc2ccc(F)cc2F)c(O)c1O ZINC000182393560 648895783 /nfs/dbraw/zinc/89/57/83/648895783.db2.gz KSBQYOFQXNLIBQ-UHFFFAOYSA-N 0 0 323.295 2.493 10 10 DECERN CCN(Cc1ccc(N(C)C)cc1)C(=O)CCCCC(N)=O ZINC000187416356 684338074 /nfs/dbraw/zinc/33/80/74/684338074.db2.gz XULRKYJQOACOJG-UHFFFAOYSA-N 0 0 305.422 2.147 10 10 DECERN CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCN2C(C)=O)cc1 ZINC000193746058 685049199 /nfs/dbraw/zinc/04/91/99/685049199.db2.gz KAGSQTFJTKGTBS-KRWDZBQOSA-N 0 0 317.433 2.160 10 10 DECERN CCO[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2[O-])C[C@H]1C[NH3+] ZINC000405826553 802085450 /nfs/dbraw/zinc/08/54/50/802085450.db2.gz YFDWGXHMESKVHT-ZWNOBZJWSA-N 0 0 319.232 2.495 10 10 DECERN NC(=O)CC1CC([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000718425644 1088534273 /nfs/dbraw/zinc/53/42/73/1088534273.db2.gz ILJSSBIWAQDKIX-UHFFFAOYSA-N 0 0 303.189 2.443 10 10 DECERN CO[C@@H]1Cc2c(O)cc(O)cc2O[C@H]1c1ccc(O)c(O)c1 ZINC000000001654 180667543 /nfs/dbraw/zinc/66/75/43/180667543.db2.gz PDHSAQOQVUXZGQ-CVEARBPZSA-N 0 0 304.298 2.200 10 10 DECERN OCCN(CCO)c1ccc(OCc2ccccc2)cc1F ZINC000034422869 354161038 /nfs/dbraw/zinc/16/10/38/354161038.db2.gz QKSUHQNLAFLEIR-UHFFFAOYSA-N 0 0 305.349 2.196 10 10 DECERN Nc1ccc(NC(=O)CCn2cc(Br)cn2)cc1 ZINC000038054052 182983414 /nfs/dbraw/zinc/98/34/14/182983414.db2.gz OHCGKIXCZJUAJR-UHFFFAOYSA-N 0 0 309.167 2.257 10 10 DECERN Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)C=[N+]=N)cc1 ZINC000096295105 402076582 /nfs/dbraw/zinc/07/65/82/402076582.db2.gz PGROZJJFANRAGV-UHFFFAOYSA-O 0 0 316.362 2.288 10 10 DECERN CC(C)[C@H](O)CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000154014291 402186857 /nfs/dbraw/zinc/18/68/57/402186857.db2.gz SBTQROWUNLBEKV-NVXWUHKLSA-N 0 0 321.417 2.307 10 10 DECERN CC(C)[C@@H](O)CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000154014185 402187068 /nfs/dbraw/zinc/18/70/68/402187068.db2.gz SBTQROWUNLBEKV-RDJZCZTQSA-N 0 0 321.417 2.307 10 10 DECERN Cc1ccc(C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c(O)c1O ZINC000248405686 225238278 /nfs/dbraw/zinc/23/82/78/225238278.db2.gz BCGWHLIQSGFNSL-APHBMKBZSA-N 0 0 317.385 2.484 10 10 DECERN C[C@]1(O)Cc2ccc3c(c2C(=O)C1)C(=O)c1cccc(O)c1C3=O ZINC000004654724 280171612 /nfs/dbraw/zinc/17/16/12/280171612.db2.gz UGEKKXLEYACFTD-IBGZPJMESA-N 0 0 322.316 2.048 10 10 biogenic,in-vitro DECERN COC(=O)CCCCC(=O)NCc1ccc2c(c1)CCCN2C ZINC000187426354 522978587 /nfs/dbraw/zinc/97/85/87/522978587.db2.gz CWJQYBJMQNUESM-UHFFFAOYSA-N 0 0 318.417 2.419 10 10 DECERN CO[C@H]1C[C@H](c2nc(C)no2)N(Cc2cc(F)ccc2O)C1 ZINC000190143404 524022029 /nfs/dbraw/zinc/02/20/29/524022029.db2.gz TVQOVOKPTLPVOO-QWHCGFSZSA-N 0 0 307.325 2.185 10 10 DECERN Cc1cc(C(=O)N(C)CC2(CO)CC2)c(C)n1-c1ccccn1 ZINC000189167422 526219705 /nfs/dbraw/zinc/21/97/05/526219705.db2.gz PRTVPAPNUHIZCI-UHFFFAOYSA-N 0 0 313.401 2.334 10 10 DECERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1ccc(C)c(O)c1O ZINC000179517804 625792123 /nfs/dbraw/zinc/79/21/23/625792123.db2.gz BDCGYAQYMAKNKF-JTQLQIEISA-N 0 0 317.389 2.118 10 10 DECERN COC[C@H](C)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000103431157 637864991 /nfs/dbraw/zinc/86/49/91/637864991.db2.gz KUEVCRPWEZXLJU-ZDUSSCGKSA-N 0 0 308.447 2.139 10 10 DECERN CC(=O)C(=O)COc1c(F)cc(Br)cc1C(C)=O ZINC000808031331 646021862 /nfs/dbraw/zinc/02/18/62/646021862.db2.gz LDCLOZIPPKJBDE-UHFFFAOYSA-N 0 0 317.110 2.328 10 10 DECERN CCCn1nccc1NC(=O)NCc1cccc(OC)c1O ZINC000069216819 648555977 /nfs/dbraw/zinc/55/59/77/648555977.db2.gz ROHCBADGVWYQBC-UHFFFAOYSA-N 0 0 304.350 2.329 10 10 DECERN CCN(CC)c1ccc(CNC(=O)NCc2ccnn2C)cc1 ZINC000080006466 683977107 /nfs/dbraw/zinc/97/71/07/683977107.db2.gz LJOVJZVETXAHBM-UHFFFAOYSA-N 0 0 315.421 2.266 10 10 DECERN CCN(CC)c1ccc(CNC(=O)CCCCC(N)=O)cc1 ZINC000188781826 684363270 /nfs/dbraw/zinc/36/32/70/684363270.db2.gz APIKMGCSCKGKDM-UHFFFAOYSA-N 0 0 305.422 2.195 10 10 DECERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cn2ccnc2s1 ZINC000188845270 684364384 /nfs/dbraw/zinc/36/43/84/684364384.db2.gz WMYKXHJTYLLVMP-SECBINFHSA-N 0 0 317.370 2.168 10 10 DECERN C[C@@H]1CC[C@H](C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)O1 ZINC000248039181 685154866 /nfs/dbraw/zinc/15/48/66/685154866.db2.gz SIFJMSTVDGWJOZ-FRFSOERESA-N 0 0 319.401 2.467 10 10 DECERN COCCN(CC(=O)NC(C)(C)C)c1ccc(OC)c(OC)c1 ZINC000083212623 185219805 /nfs/dbraw/zinc/21/98/05/185219805.db2.gz KVVPZTLQMPVUSZ-UHFFFAOYSA-N 0 0 324.421 2.071 10 10 DECERN COc1ccc(N2CCN(C(=O)N[C@H]3C[C@@H]3C)CC2)cc1F ZINC000084880222 192471458 /nfs/dbraw/zinc/47/14/58/192471458.db2.gz GKPUPPGQPWKEDA-FZMZJTMJSA-N 0 0 307.369 2.074 10 10 DECERN CO[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1 ZINC000001845186 180898717 /nfs/dbraw/zinc/89/87/17/180898717.db2.gz PDHSAQOQVUXZGQ-HZPDHXFCSA-N 0 0 304.298 2.200 10 10 DECERN CC(=O)Nc1ccc(S(=O)(=O)Cc2ccc(N)cc2)cc1 ZINC000032132577 354143735 /nfs/dbraw/zinc/14/37/35/354143735.db2.gz GIIGHBDKXWWQCX-UHFFFAOYSA-N 0 0 304.371 2.201 10 10 DECERN C[C@@H](NC(=O)c1cccc(O)c1O)c1cn(-c2ccccc2)nn1 ZINC000187190441 402487252 /nfs/dbraw/zinc/48/72/52/402487252.db2.gz CFMMNNOQJLNEEZ-LLVKDONJSA-N 0 0 324.340 2.170 10 10 DECERN COC(=O)c1coc(C(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000183845709 402801287 /nfs/dbraw/zinc/80/12/87/402801287.db2.gz DIEZWVNZFVMYNA-UHFFFAOYSA-N 0 0 302.330 2.062 10 10 DECERN C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000282233555 403134743 /nfs/dbraw/zinc/13/47/43/403134743.db2.gz FPUVMRRAENUHCJ-WRWORJQWSA-N 0 0 303.189 2.456 10 10 DECERN CN(C)c1ccc(CNC(=O)[C@H]2CCCn3ccnc32)cc1F ZINC000080610357 337680437 /nfs/dbraw/zinc/68/04/37/337680437.db2.gz KELNLHKDBAEWGW-ZDUSSCGKSA-N 0 0 316.380 2.282 10 10 DECERN CO[C@H]1CN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC[C@H]1C ZINC000190657892 524005746 /nfs/dbraw/zinc/00/57/46/524005746.db2.gz XVYAGCUZOBIUIV-WBMJQRKESA-N 0 0 323.412 2.458 10 10 DECERN Cc1cc(C)n(C[C@@H]2CN(Cc3cc(F)ccc3O)CCO2)n1 ZINC000180117989 524533393 /nfs/dbraw/zinc/53/33/93/524533393.db2.gz DHSKCIRKGSCVBY-INIZCTEOSA-N 0 0 319.380 2.246 10 10 DECERN O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000181216047 527613367 /nfs/dbraw/zinc/61/33/67/527613367.db2.gz LKKOZOFVYBUDBA-HKUPRMALSA-N 0 0 317.385 2.265 10 10 DECERN O=C([O-])[C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000236440158 625127332 /nfs/dbraw/zinc/12/73/32/625127332.db2.gz WEWASYLSPSCZMO-SECBINFHSA-N 0 0 314.179 2.451 10 10 DECERN COc1ccc(O)c([C@@H](C)NCc2nsc(N(C)C)n2)c1 ZINC000182441087 625259180 /nfs/dbraw/zinc/25/91/80/625259180.db2.gz IGCFKJOCIARQQH-SECBINFHSA-N 0 0 308.407 2.169 10 10 DECERN COCCN(C/C=C(\C)C(=O)OC)c1ccc(OC)c(OC)c1 ZINC000751474934 639086150 /nfs/dbraw/zinc/08/61/50/639086150.db2.gz GUODGPHYZDHCHW-MDWZMJQESA-N 0 0 323.389 2.276 10 10 DECERN Cc1cc(O)c(CN2CCS(=O)(=O)[C@@H](C)C2)cc1C(C)C ZINC000151604317 646977392 /nfs/dbraw/zinc/97/73/92/646977392.db2.gz GETTTZFPRHEMPP-ZDUSSCGKSA-N 0 0 311.447 2.443 10 10 DECERN COc1ccc(O)c([C@H](C)NCc2nsc(N(C)C)n2)c1 ZINC000182441070 648907497 /nfs/dbraw/zinc/90/74/97/648907497.db2.gz IGCFKJOCIARQQH-VIFPVBQESA-N 0 0 308.407 2.169 10 10 DECERN CC(C)Cn1ccnc1CNC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588406646 777081653 /nfs/dbraw/zinc/08/16/53/777081653.db2.gz WFOHZBMDQUDLSI-XQRVVYSFSA-N 0 0 315.373 2.280 10 10 DECERN COc1ccc(O)c([C@H](C)NC(=O)/C=C\c2cncc(O)c2)c1 ZINC000588410050 777101954 /nfs/dbraw/zinc/10/19/54/777101954.db2.gz CVPSJLMGXFTIOP-UUSYTGMJSA-N 0 0 314.341 2.392 10 10 DECERN Nc1ccc(NC(=O)CN2CCN(Cc3ccccc3)CC2)cc1 ZINC000062460510 184237993 /nfs/dbraw/zinc/23/79/93/184237993.db2.gz NSUYSFSTKZBLHB-UHFFFAOYSA-N 0 0 324.428 2.025 10 10 DECERN CC(=O)c1cc(F)cc(CN2CCO[C@]3(CCCOC3)C2)c1O ZINC000285378125 131162506 /nfs/dbraw/zinc/16/25/06/131162506.db2.gz RLAKYUZDVFBSPV-QGZVFWFLSA-N 0 0 323.364 2.115 10 10 DECERN Cc1ccc(O)c(C[N@H+]2CCCN(Cc3cnn(C)c3)CC2)c1 ZINC000121589959 402045258 /nfs/dbraw/zinc/04/52/58/402045258.db2.gz FEBFJKSXZDJVOL-UHFFFAOYSA-N 0 0 314.433 2.142 10 10 DECERN CC(=O)c1cc(Cl)cc(CN2CCC[C@@H]2C(=O)N(C)C)c1O ZINC000177240148 402384781 /nfs/dbraw/zinc/38/47/81/402384781.db2.gz JVVAUKDUXZUURV-CQSZACIVSA-N 0 0 324.808 2.301 10 10 DECERN COC(=O)C1CCC(C(=O)N(C)Cc2ccccc2O)CC1 ZINC000179521871 402593971 /nfs/dbraw/zinc/59/39/71/402593971.db2.gz SRFCGVKJEYYRJK-UHFFFAOYSA-N 0 0 305.374 2.330 10 10 DECERN COC(=O)[C@H]1C[C@H](OC)CN1Cc1cc(Cl)cc(C)c1O ZINC000180234654 402610946 /nfs/dbraw/zinc/61/09/46/402610946.db2.gz NNNDWWKTEIEYBN-QWHCGFSZSA-N 0 0 313.781 2.116 10 10 DECERN CCN(CC)c1ccc(CNC(=O)NC[C@H](O)C(C)C)cc1 ZINC000172607879 402665560 /nfs/dbraw/zinc/66/55/60/402665560.db2.gz UGLKNLWSRLMJTN-INIZCTEOSA-N 0 0 307.438 2.349 10 10 DECERN COC(=O)c1sc2nc(C3CC3)cc(C(=O)OC)c2c1N ZINC000409438823 403826019 /nfs/dbraw/zinc/82/60/19/403826019.db2.gz DOGHZEVKAJYNHQ-UHFFFAOYSA-N 0 0 306.343 2.329 10 10 DECERN CC[C@H]([NH2+][C@@H]1CCN(C2CCOCC2)C1=O)c1ccccc1O ZINC000367640848 405111680 /nfs/dbraw/zinc/11/16/80/405111680.db2.gz AAWUVHZLJVYPQM-JKSUJKDBSA-N 0 0 318.417 2.213 10 10 DECERN Oc1cc(Br)c(I)cc1O ZINC000575685397 406817967 /nfs/dbraw/zinc/81/79/67/406817967.db2.gz HXYNLXLXPVAYSQ-UHFFFAOYSA-N 0 0 314.904 2.465 10 10 DECERN C[C@@H]1OCCC[C@H]1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000188482928 297572044 /nfs/dbraw/zinc/57/20/44/297572044.db2.gz OHBDMAWJMMZSKW-GXTWGEPZSA-N 0 0 304.390 2.293 10 10 DECERN CCN(CC)c1ccc(CN2CCS(=O)(=O)[C@@H](C)C2)cc1 ZINC000128005248 520896273 /nfs/dbraw/zinc/89/62/73/520896273.db2.gz LGWCAEFWSVBIER-AWEZNQCLSA-N 0 0 310.463 2.152 10 10 DECERN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC1(C)COC1 ZINC000112753292 521318874 /nfs/dbraw/zinc/31/88/74/521318874.db2.gz GSOPMKWKJFJTJI-UHFFFAOYSA-N 0 0 305.422 2.321 10 10 DECERN Cc1ccc(C(=O)N2CCO[C@@H](c3nccs3)C2)c(O)c1O ZINC000182418311 526119317 /nfs/dbraw/zinc/11/93/17/526119317.db2.gz AJJCSIBJVKNXJD-LLVKDONJSA-N 0 0 320.370 2.076 10 10 DECERN COc1cccc(CNC(=O)[C@H](C)n2nc(C)cc2C)c1O ZINC000178250147 625373293 /nfs/dbraw/zinc/37/32/93/625373293.db2.gz SXQOQRKSEVMCMG-LBPRGKRZSA-N 0 0 303.362 2.092 10 10 DECERN COc1ccc(N2CCN(C(=O)c3ccn(C)c3C)CC2)cc1 ZINC000194930386 625758135 /nfs/dbraw/zinc/75/81/35/625758135.db2.gz FMXFKYXYCUZTJJ-UHFFFAOYSA-N 0 0 313.401 2.305 10 10 DECERN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](C)[C@@H]2CCCO2)c1 ZINC000103509004 639766352 /nfs/dbraw/zinc/76/63/52/639766352.db2.gz OOEDRGRFQYXKSF-PGUXBMHVSA-N 0 0 308.378 2.329 10 10 DECERN C[C@@H]1CN(C(=O)NCc2ccc3c(c2)CCCN3C)C[C@@H](C)O1 ZINC000057660764 646518261 /nfs/dbraw/zinc/51/82/61/646518261.db2.gz HLDDCRKHAVAFQE-ZIAGYGMSSA-N 0 0 317.433 2.388 10 10 DECERN COc1ccc(N2CCC(NC(=O)C(C)(C)OC)CC2)cc1 ZINC000171602783 646707682 /nfs/dbraw/zinc/70/76/82/646707682.db2.gz UFSPYESCSVTFPB-UHFFFAOYSA-N 0 0 306.406 2.205 10 10 DECERN C[C@H]1C[C@H]1NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000075978449 648738131 /nfs/dbraw/zinc/73/81/31/648738131.db2.gz FGLJGEGMYQVMGX-SWLSCSKDSA-N 0 0 305.447 2.447 10 10 DECERN COc1cccc(CNC(=O)c2cn3ccnc3s2)c1O ZINC000188426587 684355852 /nfs/dbraw/zinc/35/58/52/684355852.db2.gz BWYBLTSDQMDTJV-UHFFFAOYSA-N 0 0 303.343 2.040 10 10 DECERN C[C@@H]([NH2+]CC[C@@H]1CCCS1(=O)=O)c1cc(F)ccc1O ZINC000714360497 792311368 /nfs/dbraw/zinc/31/13/68/792311368.db2.gz VFUATKGSFSWTJG-PWSUYJOCSA-N 0 0 301.383 2.149 10 10 DECERN O=C1N[C@@H](c2cc(Cl)c3ccccc3c2O)N2CCOC[C@@H]12 ZINC000091516640 193067863 /nfs/dbraw/zinc/06/78/63/193067863.db2.gz CKOQGDKGAYYYJT-DZGCQCFKSA-N 0 0 318.760 2.028 10 10 DECERN CCOCCN(C)c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC000092963342 193189459 /nfs/dbraw/zinc/18/94/59/193189459.db2.gz WHYVDAWJRCNSOK-SOFGYWHQSA-N 0 0 308.334 2.254 10 10 DECERN COC(=O)/C=C/c1ccc(N2CCC(=O)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000275365060 130308962 /nfs/dbraw/zinc/30/89/62/130308962.db2.gz MGTXWRWLWZDITK-MALLOTDXSA-N 0 0 318.329 2.196 10 10 DECERN COc1cccc(C(=O)N2CCN(c3ccc(N)cc3)CC2)c1 ZINC000008030996 401747914 /nfs/dbraw/zinc/74/79/14/401747914.db2.gz ZQFCEIIBTSPJKT-UHFFFAOYSA-N 0 0 311.385 2.240 10 10 DECERN C[C@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)[C@@H]1CCCO1 ZINC000125358618 402227559 /nfs/dbraw/zinc/22/75/59/402227559.db2.gz ANPADXQUYWBQPO-YOEHRIQHSA-N 0 0 315.417 2.430 10 10 DECERN C[C@@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)[C@@H]1CCCO1 ZINC000125358756 402227683 /nfs/dbraw/zinc/22/76/83/402227683.db2.gz ANPADXQUYWBQPO-PBHICJAKSA-N 0 0 315.417 2.430 10 10 DECERN Cn1ccnc1CN(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000070976686 402268507 /nfs/dbraw/zinc/26/85/07/402268507.db2.gz WPXAZDJPHOZJGH-HNNXBMFYSA-N 0 0 301.390 2.307 10 10 DECERN CCNC(=O)NC(=O)CN(c1ccc(OC)cc1)[C@@H](C)C1CC1 ZINC000109774012 402275463 /nfs/dbraw/zinc/27/54/63/402275463.db2.gz OJZXPRFOIWNHCU-LBPRGKRZSA-N 0 0 319.405 2.146 10 10 DECERN O=[N+]([O-])c1cc(Cl)cc(CN2CC[N@@H+]3CCC[C@H]3C2)c1[O-] ZINC000245801815 225223080 /nfs/dbraw/zinc/22/30/80/225223080.db2.gz XXPXFEKNVNWYRB-LBPRGKRZSA-N 0 0 311.769 2.234 10 10 DECERN O=C(c1cccc(O)c1O)N1CCC(C2CCOCC2)CC1 ZINC000369141136 227025005 /nfs/dbraw/zinc/02/50/05/227025005.db2.gz YYAWKLINRIYBEY-UHFFFAOYSA-N 0 0 305.374 2.377 10 10 DECERN C[C@H]1CCOCCN1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000371543802 227075318 /nfs/dbraw/zinc/07/53/18/227075318.db2.gz OYUDXOGCTGZGCV-LBPRGKRZSA-N 0 0 309.385 2.212 10 10 DECERN CCc1ccc(S(=O)(=O)NCCc2ccc(N)cc2)s1 ZINC000032215315 333415866 /nfs/dbraw/zinc/41/58/66/333415866.db2.gz GDKRYOJRLZTQPS-UHFFFAOYSA-N 0 0 310.444 2.414 10 10 DECERN CO[C@H]1C[C@H](c2nc(C)no2)N(Cc2ccc(N(C)C)cc2)C1 ZINC000190157638 524022128 /nfs/dbraw/zinc/02/21/28/524022128.db2.gz GUCJWRSUWWOQAK-JKSUJKDBSA-N 0 0 316.405 2.406 10 10 DECERN O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000245677001 534774454 /nfs/dbraw/zinc/77/44/54/534774454.db2.gz IDUQXHDPKPSPFW-DKOBFMHVSA-N 0 0 315.369 2.185 10 10 DECERN Cc1ccc(C(=O)N2CCC[C@@H]2c2cnn(C)c2)c(O)c1O ZINC000182377528 526102249 /nfs/dbraw/zinc/10/22/49/526102249.db2.gz XLGWXXXVGVJATH-CYBMUJFWSA-N 0 0 301.346 2.117 10 10 DECERN COc1ccc(O)c([C@H](C)NCc2nnc(C)n2C2CC2)c1 ZINC000182346397 625254330 /nfs/dbraw/zinc/25/43/30/625254330.db2.gz PYSYOILXYQJAFU-JTQLQIEISA-N 0 0 302.378 2.486 10 10 DECERN C[C@@H]1CCCN(S(=O)(=O)Nc2ccc(O)c(Cl)c2)C1 ZINC000085204633 634201457 /nfs/dbraw/zinc/20/14/57/634201457.db2.gz POQAHMJJANXCPO-SECBINFHSA-N 0 0 304.799 2.434 10 10 DECERN CCCn1nccc1NC(=O)NCc1cc(OC)ccc1O ZINC000172019706 646719227 /nfs/dbraw/zinc/71/92/27/646719227.db2.gz KWQKNNRURJJAHY-UHFFFAOYSA-N 0 0 304.350 2.329 10 10 DECERN Cc1ccc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c(C)n1 ZINC000183433418 649072465 /nfs/dbraw/zinc/07/24/65/649072465.db2.gz FLGCMEBVRSLWEC-NSHDSACASA-N 0 0 300.358 2.471 10 10 DECERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccc(O)c(O)c1 ZINC000159059953 684309302 /nfs/dbraw/zinc/30/93/02/684309302.db2.gz AKRGXGTWJHHVSU-UHFFFAOYSA-N 0 0 302.286 2.244 10 10 DECERN COc1cnccc1[C@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000189637484 684385325 /nfs/dbraw/zinc/38/53/25/684385325.db2.gz XHYWWIKEPOWJLI-MALLOTDXSA-N 0 0 314.341 2.392 10 10 DECERN COc1ccccc1C(=O)Nc1cc(=O)n(-c2ccccc2)[nH]1 ZINC000021024154 182261635 /nfs/dbraw/zinc/26/16/35/182261635.db2.gz CXIGRCGRPPGABZ-UHFFFAOYSA-N 0 0 309.325 2.175 10 10 DECERN O=c1cc(-c2ccc(O)c(O)c2)oc2cc(OCCO)ccc12 ZINC000027205904 401843740 /nfs/dbraw/zinc/84/37/40/401843740.db2.gz HQVQUGUHAFIPRI-UHFFFAOYSA-N 0 0 314.293 2.242 10 10 DECERN CC(C)[C@H](O)CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000154014094 402186785 /nfs/dbraw/zinc/18/67/85/402186785.db2.gz SBTQROWUNLBEKV-DOTOQJQBSA-N 0 0 321.417 2.307 10 10 DECERN COc1cc(O)c(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)cc1OC ZINC000180302443 337175840 /nfs/dbraw/zinc/17/58/40/337175840.db2.gz CFLZASJFKUIOKC-GTKHYJCHSA-N 0 0 307.390 2.002 10 10 DECERN CN(C)c1ccc(CNC(=O)CSC2CCOCC2)cc1 ZINC000130789651 522192033 /nfs/dbraw/zinc/19/20/33/522192033.db2.gz ONWWDVNCXYGXFW-UHFFFAOYSA-N 0 0 308.447 2.281 10 10 DECERN COc1ccc(-n2c(C)cc(C(=O)N3CC(CO)C3)c2C)cc1 ZINC000184209181 523314657 /nfs/dbraw/zinc/31/46/57/523314657.db2.gz DXXFUEIBFPEMQL-UHFFFAOYSA-N 0 0 314.385 2.167 10 10 DECERN Cc1ccc(C(=O)N2CCCC[C@H]2c2cn[nH]c2)c(O)c1O ZINC000182445211 526092628 /nfs/dbraw/zinc/09/26/28/526092628.db2.gz DVEWAKZCFRHWDY-ZDUSSCGKSA-N 0 0 301.346 2.497 10 10 DECERN COc1ccc(-n2c(C)cc(C(=O)NC3(CO)CC3)c2C)cc1 ZINC000160311992 623533647 /nfs/dbraw/zinc/53/36/47/623533647.db2.gz ORIGKACYTIKARV-UHFFFAOYSA-N 0 0 314.385 2.357 10 10 DECERN O=c1[nH]c2ccccc2c(=O)n1CCCSc1nccs1 ZINC000153363729 647427487 /nfs/dbraw/zinc/42/74/87/647427487.db2.gz REEQTGOBJTXOQP-UHFFFAOYSA-N 0 0 319.411 2.329 10 10 DECERN CSCCC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000194056825 685054733 /nfs/dbraw/zinc/05/47/33/685054733.db2.gz SSUGCPFUZFEQOG-UHFFFAOYSA-N 0 0 322.474 2.265 10 10 DECERN COC(OC)[C@@H](C)[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000715747935 792509573 /nfs/dbraw/zinc/50/95/73/792509573.db2.gz XJWWLBFYTRWJGF-SSDOTTSWSA-N 0 0 322.174 2.391 10 10 DECERN Cn1cc(CNCc2ccc3c(c2)CCO3)c(Br)n1 ZINC000720675437 1085848444 /nfs/dbraw/zinc/84/84/44/1085848444.db2.gz WDOBKUGHPHBTCJ-UHFFFAOYSA-N 0 0 322.206 2.407 10 10 DECERN Cc1cc(OCc2ccccc2)ccc1N(CCO)CCO ZINC000039025840 354168838 /nfs/dbraw/zinc/16/88/38/354168838.db2.gz ATRXETUSFPCEJC-UHFFFAOYSA-N 0 0 301.386 2.365 10 10 DECERN COc1ccc2c(c1)c(C=C1C(=O)OC(C)(C)OC1=O)cn2C ZINC000096565265 193679601 /nfs/dbraw/zinc/67/96/01/193679601.db2.gz FPCRFECODCLQOY-UHFFFAOYSA-N 0 0 315.325 2.406 10 10 DECERN COC(=O)c1cnn2c1[nH]c(C)c(Cc1ccccc1C)c2=O ZINC000000259455 401692494 /nfs/dbraw/zinc/69/24/94/401692494.db2.gz CLHNALHCPJHLOX-UHFFFAOYSA-N 0 0 311.341 2.429 10 10 DECERN CCN(CC)c1ccc(CN2C[C@H](OC)C[C@@H]2C(=O)OC)cc1 ZINC000125855463 402253500 /nfs/dbraw/zinc/25/35/00/402253500.db2.gz VTMQNOMCZXEFOG-IAGOWNOFSA-N 0 0 320.433 2.295 10 10 DECERN CSc1ccccc1C(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000177159425 402376340 /nfs/dbraw/zinc/37/63/40/402376340.db2.gz YQAHYXFZEZDTEV-UHFFFAOYSA-N 0 0 313.444 2.058 10 10 DECERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1cccc(O)c1O ZINC000187076130 402481688 /nfs/dbraw/zinc/48/16/88/402481688.db2.gz XEZBYYOAQLUFIJ-ZDUSSCGKSA-N 0 0 315.373 2.425 10 10 DECERN O=C(N[C@@H]1CCCC[C@@H]1n1cccn1)c1cccc(O)c1O ZINC000187160446 402486044 /nfs/dbraw/zinc/48/60/44/402486044.db2.gz NKUHHOSHAKJIMU-OLZOCXBDSA-N 0 0 301.346 2.208 10 10 DECERN O=C(N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2)c1cccc(O)c1O ZINC000248787120 225240217 /nfs/dbraw/zinc/24/02/17/225240217.db2.gz WNCJRZNTMRYGLU-KCPJHIHWSA-N 0 0 303.358 2.175 10 10 DECERN COc1cc(N(C)CC(=O)NC(C)(C)C)cc(OC)c1OC ZINC000125694053 522619414 /nfs/dbraw/zinc/61/94/14/522619414.db2.gz CEAKWKAQVFFQDZ-UHFFFAOYSA-N 0 0 310.394 2.063 10 10 DECERN CCCCC(=O)N1CCN(c2ccc3c(c2)CC(=O)N3C)CC1 ZINC000062093716 534933021 /nfs/dbraw/zinc/93/30/21/534933021.db2.gz RUCBAXMJMBNFAO-UHFFFAOYSA-N 0 0 315.417 2.044 10 10 DECERN CC1(C)CN(Cc2cc3c(cc2O)CCCC3)CCS1(=O)=O ZINC000160391808 623737144 /nfs/dbraw/zinc/73/71/44/623737144.db2.gz MIJWTODCASVPKJ-UHFFFAOYSA-N 0 0 323.458 2.280 10 10 DECERN Oc1ccc(F)cc1CN1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000180279601 625181373 /nfs/dbraw/zinc/18/13/73/625181373.db2.gz PBJFHAPDVFNQPQ-ZBFHGGJFSA-N 0 0 321.348 2.449 10 10 DECERN COC[C@@H](C)C(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000103434348 637864662 /nfs/dbraw/zinc/86/46/62/637864662.db2.gz NKJPGMDTGJMRMI-CYBMUJFWSA-N 0 0 306.406 2.063 10 10 DECERN COc1ccc(O)c([C@H](C)NC(=O)NCc2cscn2)c1 ZINC000103515082 639767671 /nfs/dbraw/zinc/76/76/71/639767671.db2.gz RZQACMOUPCOUFS-VIFPVBQESA-N 0 0 307.375 2.418 10 10 DECERN CC(=O)c1cc(F)cc(CN2CCO[C@H](C(F)F)C2)c1O ZINC000801559153 645414377 /nfs/dbraw/zinc/41/43/77/645414377.db2.gz DIZCZIQXMAQTNB-LBPRGKRZSA-N 0 0 303.280 2.200 10 10 DECERN CN(C)c1ccc(CNC(=O)Cc2ccc(F)cn2)cc1F ZINC000806684379 645863175 /nfs/dbraw/zinc/86/31/75/645863175.db2.gz IJUIFRHNTXTCFR-UHFFFAOYSA-N 0 0 305.328 2.285 10 10 DECERN COc1ccc(N2CCC(NC(=O)[C@@H]3CC[C@H](C)O3)CC2)cc1 ZINC000151655353 646994615 /nfs/dbraw/zinc/99/46/15/646994615.db2.gz YZXIHCLNTLIKHC-GUYCJALGSA-N 0 0 318.417 2.348 10 10 DECERN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1c[nH]c(=O)cc1C ZINC000125930849 684149764 /nfs/dbraw/zinc/14/97/64/684149764.db2.gz ISNGRFICHGYORI-UHFFFAOYSA-N 0 0 313.401 2.412 10 10 DECERN COc1cccc(CNC(=O)NC[C@H]2CCC(C)(C)O2)c1O ZINC000188199073 684351238 /nfs/dbraw/zinc/35/12/38/684351238.db2.gz LITCDTJCHWNZBF-GFCCVEGCSA-N 0 0 308.378 2.158 10 10 DECERN Cc1ccc(N)cc1S(=O)(=O)N(C)Cc1ccccc1O ZINC000040335333 1082010925 /nfs/dbraw/zinc/01/09/25/1082010925.db2.gz RVEXHSJFTGFOJY-UHFFFAOYSA-N 0 0 306.387 2.104 10 10 DECERN CCc1nc2n(n1)C[C@@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)CC2 ZINC000190973582 529751001 /nfs/dbraw/zinc/75/10/01/529751001.db2.gz WNPQLIJXUBAQDR-VIFPVBQESA-N 0 0 324.787 2.443 10 10 DECERN CCOC1=NN(c2ccccc2)C(=O)C1=CNCc1ccncc1 ZINC000017921381 182088372 /nfs/dbraw/zinc/08/83/72/182088372.db2.gz HGQGRVWIHJVCJC-DTQAZKPQSA-N 0 0 322.368 2.452 10 10 DECERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(Cc2ccc(N(C)C)cc2)C1 ZINC000190157654 533544395 /nfs/dbraw/zinc/54/43/95/533544395.db2.gz GUCJWRSUWWOQAK-CVEARBPZSA-N 0 0 316.405 2.406 10 10 DECERN CCOC(=O)CC[C@@H](C)NC(=O)N(C)Cc1ccccc1O ZINC000089936490 401975029 /nfs/dbraw/zinc/97/50/29/401975029.db2.gz AEKAJDSKFGQSPO-GFCCVEGCSA-N 0 0 308.378 2.265 10 10 DECERN CC(=O)c1cc(F)cc(CN2CCC(n3cncn3)CC2)c1O ZINC000177272046 337155176 /nfs/dbraw/zinc/15/51/76/337155176.db2.gz HGMCEGBFOZWWBV-UHFFFAOYSA-N 0 0 318.352 2.163 10 10 DECERN O=C(C=Cc1ccc(O)c(O)c1)N1CCC(c2cc[nH]n2)CC1 ZINC000181107082 337179813 /nfs/dbraw/zinc/17/98/13/337179813.db2.gz MZAINGJHBYYXFT-DUXPYHPUSA-N 0 0 313.357 2.240 10 10 DECERN COC(=O)N(C)Cc1cc(OC)cc(Br)c1O ZINC000584606597 337371734 /nfs/dbraw/zinc/37/17/34/337371734.db2.gz FNJUNDRHXZASAE-UHFFFAOYSA-N 0 0 304.140 2.362 10 10 DECERN COc1cc([N+](=O)[O-])c(N2CC[C@H](C)[C@@H](OC)C2)cc1OC ZINC000275969994 518140704 /nfs/dbraw/zinc/14/07/04/518140704.db2.gz HHGLSXSRDYGXOG-BONVTDFDSA-N 0 0 310.350 2.473 10 10 DECERN Cc1noc([C@@H]2COCCN2Cc2cc(C)c(C)cc2O)n1 ZINC000188470961 534469015 /nfs/dbraw/zinc/46/90/15/534469015.db2.gz JRJPRRGEUGMDFM-AWEZNQCLSA-N 0 0 303.362 2.274 10 10 DECERN Cc1ccc(C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)c(O)c1O ZINC000182824815 526131396 /nfs/dbraw/zinc/13/13/96/526131396.db2.gz XFIGDWZHKAEASA-YVEFUNNKSA-N 0 0 305.374 2.173 10 10 DECERN CCOc1cccnc1C(=O)NCc1cc(OC)ccc1O ZINC000178238177 625350357 /nfs/dbraw/zinc/35/03/57/625350357.db2.gz GMRWFPGZURWEPS-UHFFFAOYSA-N 0 0 302.330 2.125 10 10 DECERN COc1ccc(N2CCN(C(=O)[C@@H]3CCOC[C@H]3C)CC2)cc1 ZINC000193811436 625665278 /nfs/dbraw/zinc/66/52/78/625665278.db2.gz GWFAEGGCIUKVQO-RHSMWYFYSA-N 0 0 318.417 2.016 10 10 DECERN COc1cccc(CNS(=O)(=O)/C=C/c2ccccc2)c1O ZINC000161120447 624802737 /nfs/dbraw/zinc/80/27/37/624802737.db2.gz VHFFPKBSXSXJTC-ZHACJKMWSA-N 0 0 319.382 2.491 10 10 DECERN Cc1cc(C(=O)NC(C)(C)C(N)=O)c(C)n1-c1cccc(C)c1 ZINC000057050160 634783753 /nfs/dbraw/zinc/78/37/53/634783753.db2.gz JOFCNFBFMPBGNP-UHFFFAOYSA-N 0 0 313.401 2.396 10 10 DECERN Cn1cc(NC(=O)NCCCSc2nccs2)ccc1=O ZINC000172042391 646720153 /nfs/dbraw/zinc/72/01/53/646720153.db2.gz CDMAOKMOLIZLHR-UHFFFAOYSA-N 0 0 324.431 2.146 10 10 DECERN COc1ccc(N(C)C[C@H](C)CS(C)(=O)=O)cc1Cl ZINC000121944352 684111135 /nfs/dbraw/zinc/11/11/35/684111135.db2.gz ZZLDUIDNAXMTPM-JTQLQIEISA-N 0 0 305.827 2.466 10 10 DECERN COc1ccc(N(C)C[C@@H](C)CS(C)(=O)=O)cc1Cl ZINC000121944526 684111406 /nfs/dbraw/zinc/11/14/06/684111406.db2.gz ZZLDUIDNAXMTPM-SNVBAGLBSA-N 0 0 305.827 2.466 10 10 DECERN Cc1[nH]nc(C(C)C)c1C(=O)NCCc1ccc(O)c(O)c1 ZINC000159818830 684321682 /nfs/dbraw/zinc/32/16/82/684321682.db2.gz WUHJHHWQSFRJEL-UHFFFAOYSA-N 0 0 303.362 2.225 10 10 DECERN COC(=O)/C=C\c1ccc(N(C)C[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000588499114 777303345 /nfs/dbraw/zinc/30/33/45/777303345.db2.gz XIIAVCYTTHJIJN-WOLRVDTOSA-N 0 0 320.345 2.396 10 10 DECERN Cn1nccc1C[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000715796280 792513553 /nfs/dbraw/zinc/51/35/53/792513553.db2.gz NHEZGWURRBJJTC-UHFFFAOYSA-N 0 0 314.158 2.317 10 10 DECERN C[C@@H]1[C@@H]([NH2+]Cc2cc(Br)cc(F)c2[O-])CCN1C ZINC000719596391 1089318195 /nfs/dbraw/zinc/31/81/95/1089318195.db2.gz AQXYLLFGVNDLMI-PELKAZGASA-N 0 0 317.202 2.476 10 10 DECERN Cc1ccc([N-]S(=O)(=O)c2ccccc2)c(C(=O)C=[N+]=N)c1 ZINC000096791761 185388544 /nfs/dbraw/zinc/38/85/44/185388544.db2.gz UCRZPRSCVFOTAV-UHFFFAOYSA-O 0 0 316.362 2.288 10 10 DECERN COc1ccc2c(c1OC)C(=O)c1cc(O)c(C)c(O)c1C2=O ZINC000090548544 290903933 /nfs/dbraw/zinc/90/39/33/290903933.db2.gz IOZZOJXKYOIYGA-UHFFFAOYSA-N 0 0 314.293 2.199 10 10 biogenic,in-vitro DECERN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccnn1C ZINC000046942412 183574141 /nfs/dbraw/zinc/57/41/41/183574141.db2.gz IMZUUTSTJDUTQB-UHFFFAOYSA-N 0 0 315.421 2.218 10 10 DECERN CN(C)c1ccc(CNC(=O)[C@@H]2CCCn3ccnc32)cc1F ZINC000080610356 401891130 /nfs/dbraw/zinc/89/11/30/401891130.db2.gz KELNLHKDBAEWGW-CYBMUJFWSA-N 0 0 316.380 2.282 10 10 DECERN COCc1nc2n(n1)CCC[C@@H]2N[C@H](C)c1cc(F)ccc1O ZINC000185776210 402375887 /nfs/dbraw/zinc/37/58/87/402375887.db2.gz UZKNUIDCCZNGNA-MFKMUULPSA-N 0 0 320.368 2.455 10 10 DECERN Cc1cc(Cl)cc(CN2CC[C@@H](C)S(=O)(=O)CC2)c1O ZINC000192050113 402707921 /nfs/dbraw/zinc/70/79/21/402707921.db2.gz UOJNWZYBFCHFQD-LLVKDONJSA-N 0 0 317.838 2.363 10 10 DECERN O=C(NCc1ncc(-c2ccccc2)cn1)c1cccc(O)c1O ZINC000193164270 225153995 /nfs/dbraw/zinc/15/39/95/225153995.db2.gz UQIPDRQTNKRXJR-UHFFFAOYSA-N 0 0 321.336 2.485 10 10 DECERN CCn1cc([C@@H]2CN(Cc3cc(F)ccc3O)CCO2)cn1 ZINC000191695752 523466598 /nfs/dbraw/zinc/46/65/98/523466598.db2.gz WGTLNFBMEXZDND-INIZCTEOSA-N 0 0 305.353 2.321 10 10 DECERN CO[C@H]1CN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC[C@@H]1C ZINC000190657910 524005659 /nfs/dbraw/zinc/00/56/59/524005659.db2.gz XVYAGCUZOBIUIV-LRDDRELGSA-N 0 0 323.412 2.458 10 10 DECERN Cc1ccc(C(=O)N2CCCC[C@@H]2c2cn[nH]c2)c(O)c1O ZINC000182445190 526093722 /nfs/dbraw/zinc/09/37/22/526093722.db2.gz DVEWAKZCFRHWDY-CYBMUJFWSA-N 0 0 301.346 2.497 10 10 DECERN CN(C)c1ccc(CNC(=O)c2cn3ccnc3s2)cc1 ZINC000188179802 625442852 /nfs/dbraw/zinc/44/28/52/625442852.db2.gz QBZJFRVJBCMIBU-UHFFFAOYSA-N 0 0 300.387 2.392 10 10 DECERN COc1ccc(N2CCCN(C(=O)[C@H]3CC[C@H](C)O3)CC2)cc1 ZINC000178127030 625133293 /nfs/dbraw/zinc/13/32/93/625133293.db2.gz ZMWGPUZZKLIUER-WMLDXEAASA-N 0 0 318.417 2.301 10 10 DECERN CCCN(Cc1ccccc1O)C(=O)NCC[S@](=O)CC ZINC000741419992 637979655 /nfs/dbraw/zinc/97/96/55/637979655.db2.gz GWGPAQBVZVPRIX-OAQYLSRUSA-N 0 0 312.435 2.082 10 10 DECERN COc1ccc(O[C@H](C)C(=O)NCCc2ccc(N)cc2)cc1 ZINC000237308369 639445559 /nfs/dbraw/zinc/44/55/59/639445559.db2.gz DWGPCYVAMMOJAK-CYBMUJFWSA-N 0 0 314.385 2.404 10 10 DECERN CN1C[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CCC1=O ZINC000077900110 646518784 /nfs/dbraw/zinc/51/87/84/646518784.db2.gz JPTLZMUSXKMNGV-JTQLQIEISA-N 0 0 303.189 2.409 10 10 DECERN Cc1cc(C(=O)CN2CC[C@H](O)C2)c(C)n1-c1ccc(F)cc1 ZINC000114470233 651957136 /nfs/dbraw/zinc/95/71/36/651957136.db2.gz BGTZPJANQIRHNR-INIZCTEOSA-N 0 0 316.376 2.483 10 10 DECERN COc1ccc(N2CCN(C(=O)[C@@H]3CC[C@@H](C)O3)CC2)cc1F ZINC000120571387 684097619 /nfs/dbraw/zinc/09/76/19/684097619.db2.gz KROZYWMBWVFYRM-WBMJQRKESA-N 0 0 322.380 2.050 10 10 DECERN O=C(/C=C/c1cnc2ccccc2n1)NCc1ccc(O)c(O)c1 ZINC000159016835 684308132 /nfs/dbraw/zinc/30/81/32/684308132.db2.gz UBWNUXRFRWJRKQ-SOFGYWHQSA-N 0 0 321.336 2.371 10 10 DECERN [O-]c1c(F)cc(Br)cc1C[NH2+]CC1CC(O)C1 ZINC000715758065 792511535 /nfs/dbraw/zinc/51/15/35/792511535.db2.gz IADLOQLUTWSENO-UHFFFAOYSA-N 0 0 304.159 2.154 10 10 DECERN C[NH+](C)CCNc1ccc(O)c2c1C(=O)c1ccccc1C2=O ZINC000005140450 181208618 /nfs/dbraw/zinc/20/86/18/181208618.db2.gz PGENGIVCMXXOPD-UHFFFAOYSA-N 0 0 310.353 2.141 10 10 DECERN COC(=O)N=c1[nH]c2c(s1)c(N1CCOCC1)ccc2OC ZINC000147441226 355913177 /nfs/dbraw/zinc/91/31/77/355913177.db2.gz BKVVBRXEIAOOOU-UHFFFAOYSA-N 0 0 323.374 2.320 10 10 DECERN CCCN(CCC)c1ccc([C@H]2NC(=O)[C@@H]3COCCN32)cc1 ZINC000093885009 283215281 /nfs/dbraw/zinc/21/52/81/283215281.db2.gz KZPVHQSRTAAUIL-IRXDYDNUSA-N 0 0 317.433 2.142 10 10 DECERN COC(=O)/C=C/c1ccc(N2CCCO[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000171047273 283708272 /nfs/dbraw/zinc/70/82/72/283708272.db2.gz PDDFIEOWQNLTOB-HOSRBBHYSA-N 0 0 320.345 2.396 10 10 DECERN CCc1nnc([C@@H]2CN(Cc3cc(Cl)ccc3O)CCO2)[nH]1 ZINC000129083037 401798433 /nfs/dbraw/zinc/79/84/33/401798433.db2.gz SOISQZYGTJISGU-ZDUSSCGKSA-N 0 0 322.796 2.300 10 10 DECERN COc1cc(O)c2c(c1O)C(=O)c1cc(C)cc(OC)c1C2=O ZINC000014760823 401813334 /nfs/dbraw/zinc/81/33/34/401813334.db2.gz MMJVMCYKOLNSBU-UHFFFAOYSA-N 0 0 314.293 2.199 10 10 DECERN Cc1nnc([C@@H]2CN(Cc3cc(Cl)ccc3O)CCO2)[nH]1 ZINC000180110231 402607505 /nfs/dbraw/zinc/60/75/05/402607505.db2.gz KHBOOXOZEVNZSI-ZDUSSCGKSA-N 0 0 308.769 2.046 10 10 DECERN O=C(c1cccc(O)c1O)N1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000193133285 402765906 /nfs/dbraw/zinc/76/59/06/402765906.db2.gz YYQGSPCHBDEITK-RISCZKNCSA-N 0 0 317.341 2.419 10 10 DECERN CC(C)OC(=O)c1cc(N)c2c(c1N)C(=O)c1ccccc1C2=O ZINC000005114462 275658091 /nfs/dbraw/zinc/65/80/91/275658091.db2.gz KQBPPKIWYDVYHG-UHFFFAOYSA-N 0 0 324.336 2.192 10 10 DECERN CC1(C)[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H]2CCO[C@H]21 ZINC000245757041 527853356 /nfs/dbraw/zinc/85/33/56/527853356.db2.gz VBDOJZLSLKRCIR-RYUSQQJRSA-N 0 0 303.358 2.041 10 10 DECERN C[C@H]1CCCN(S(=O)(=O)Nc2ccc(O)c(Cl)c2)C1 ZINC000085204635 634200890 /nfs/dbraw/zinc/20/08/90/634200890.db2.gz POQAHMJJANXCPO-VIFPVBQESA-N 0 0 304.799 2.434 10 10 DECERN C[C@H]1C[C@H]1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000170806425 646668730 /nfs/dbraw/zinc/66/87/30/646668730.db2.gz OXJQBZABLIRHOF-SUMWQHHRSA-N 0 0 317.433 2.103 10 10 DECERN O=C(NCCCSc1nccs1)N[C@H]1CCCC[C@H]1O ZINC000154613138 648049619 /nfs/dbraw/zinc/04/96/19/648049619.db2.gz HVDOIMIYZIDUIP-WDEREUQCSA-N 0 0 315.464 2.228 10 10 DECERN CCN(CC)c1ccc(CNC(=O)[C@@H]2C[C@@H]2C(=O)OC)cc1F ZINC000108996898 651779242 /nfs/dbraw/zinc/77/92/42/651779242.db2.gz AFXNKVIHASZOOS-OLZOCXBDSA-N 0 0 322.380 2.097 10 10 DECERN COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCCc3n[nH]cc32)c1 ZINC000136747714 684241339 /nfs/dbraw/zinc/24/13/39/684241339.db2.gz WHICTBHCTIGBID-JQWIXIFHSA-N 0 0 315.373 2.421 10 10 DECERN CCN(CC)c1ccc(CNC(=O)N2C[C@@H](C)[C@H](CO)C2)cc1 ZINC000191349541 684426090 /nfs/dbraw/zinc/42/60/90/684426090.db2.gz ZXPXWVZFZOYGNJ-ZBFHGGJFSA-N 0 0 319.449 2.303 10 10 DECERN O=C(/C=C\c1ccc(O)c(O)c1)NOCc1ccc(F)cc1 ZINC000588449777 777212990 /nfs/dbraw/zinc/21/29/90/777212990.db2.gz YAXBBDOOJRMJSQ-YWEYNIOJSA-N 0 0 303.289 2.498 10 10 DECERN C[C@@H]([NH2+]CC[C@H]1CCCS1(=O)=O)c1cc(F)ccc1O ZINC000714360498 792312305 /nfs/dbraw/zinc/31/23/05/792312305.db2.gz VFUATKGSFSWTJG-ZYHUDNBSSA-N 0 0 301.383 2.149 10 10 DECERN CN1CC[C@@H](CNC(=O)c2cccc(O)c2O)c2ccccc21 ZINC000192988843 529793555 /nfs/dbraw/zinc/79/35/55/529793555.db2.gz NIZSWZNJZRGINV-LBPRGKRZSA-N 0 0 312.369 2.451 10 10 DECERN C[C@H]1COCC[C@@H]1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000194530091 290966684 /nfs/dbraw/zinc/96/66/84/290966684.db2.gz LZNVEQMARNYWBE-JSGCOSHPSA-N 0 0 304.390 2.151 10 10 DECERN C[C@H]1C[C@H]1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000075982563 191546518 /nfs/dbraw/zinc/54/65/18/191546518.db2.gz HPJMBBSPPSKPDJ-XJKSGUPXSA-N 0 0 303.406 2.073 10 10 DECERN Cc1nc(CC(=O)N2CCc3cc(N4CCCC4)ccc32)no1 ZINC000062526029 184241674 /nfs/dbraw/zinc/24/16/74/184241674.db2.gz PJYJPOREHJLSNZ-UHFFFAOYSA-N 0 0 312.373 2.110 10 10 DECERN COc1cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c(O)c1O ZINC000000898959 401703229 /nfs/dbraw/zinc/70/32/29/401703229.db2.gz QWUHUBDKQQPMQG-UHFFFAOYSA-N 0 0 316.265 2.291 10 10 endogenous,in-man DECERN CN(C)c1ccc(CNC(=O)[C@H]2CCCc3n[nH]cc32)cc1F ZINC000133953000 401896747 /nfs/dbraw/zinc/89/67/47/401896747.db2.gz NHPOATFPEDIFEQ-LBPRGKRZSA-N 0 0 316.380 2.351 10 10 DECERN CN1CCCc2cc(CNC(=O)N[C@H]3CCCOC3)ccc21 ZINC000171602876 402600292 /nfs/dbraw/zinc/60/02/92/402600292.db2.gz JEBXVQGCGDWRPO-HNNXBMFYSA-N 0 0 303.406 2.047 10 10 DECERN Cn1nccc1CCC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000184991664 224944611 /nfs/dbraw/zinc/94/46/11/224944611.db2.gz AZKNWDVZXDLKMR-UHFFFAOYSA-N 0 0 313.401 2.254 10 10 DECERN CC[C@H]1COCCN1c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC000301312786 288326082 /nfs/dbraw/zinc/32/60/82/288326082.db2.gz JHOJZQZOCNDOIR-IYNGYCSASA-N 0 0 320.345 2.396 10 10 DECERN Cc1noc([C@@H]2COCCN2Cc2ccc(N(C)C)cc2)n1 ZINC000188481715 534468874 /nfs/dbraw/zinc/46/88/74/534468874.db2.gz KPTLNGUMVIMJSL-HNNXBMFYSA-N 0 0 302.378 2.018 10 10 DECERN Cc1cc(Cl)cc(CN2CCS(=O)(=O)C(C)(C)C2)c1O ZINC000180510849 524865809 /nfs/dbraw/zinc/86/58/09/524865809.db2.gz AELNURVTASDFCP-UHFFFAOYSA-N 0 0 317.838 2.363 10 10 DECERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCc1ccccc1O ZINC000185388719 524893213 /nfs/dbraw/zinc/89/32/13/524893213.db2.gz BXCZFALGMONBFF-LBPRGKRZSA-N 0 0 315.369 2.483 10 10 DECERN C[NH+](C)C1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000091669952 684037494 /nfs/dbraw/zinc/03/74/94/684037494.db2.gz UONCOTUWTWMXKD-UHFFFAOYSA-N 0 0 313.785 2.480 10 10 DECERN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]CCCn1ccnn1 ZINC000126593219 684155277 /nfs/dbraw/zinc/15/52/77/684155277.db2.gz ATYIHZOBUWRHDK-UHFFFAOYSA-N 0 0 301.177 2.470 10 10 DECERN [O-]c1c(F)cc(Br)cc1C[NH2+][C@H]1CC12CC(O)C2 ZINC000724918143 777521190 /nfs/dbraw/zinc/52/11/90/777521190.db2.gz QNHVVDQXNNKRES-QDYJBQRPSA-N 0 0 316.170 2.297 10 10 DECERN C[C@@H](C[N@H+](C)Cc1ccc(Br)cc1O)C(=O)[O-] ZINC000691438109 976354923 /nfs/dbraw/zinc/35/49/23/976354923.db2.gz VILQFISLBWTLEX-QMMMGPOBSA-N 0 0 302.168 2.307 10 10 DECERN CCc1nnc(CNCc2c(O)cccc2Br)[nH]1 ZINC000706883558 1086654466 /nfs/dbraw/zinc/65/44/66/1086654466.db2.gz OEUYDZXSQLPKSB-UHFFFAOYSA-N 0 0 311.183 2.125 10 10 DECERN Cc1cc(O)c(CN2Cc3ccccc3C[C@@H]2C(N)=O)cc1C ZINC000126346747 401690339 /nfs/dbraw/zinc/69/03/39/401690339.db2.gz CSEQUKKQHCGTCP-QGZVFWFLSA-N 0 0 310.397 2.421 10 10 DECERN COc1ccc(N2CCN(C(=O)N[C@@H]3C[C@@H]3C)CC2)cc1F ZINC000084880224 401910799 /nfs/dbraw/zinc/91/07/99/401910799.db2.gz GKPUPPGQPWKEDA-SMDDNHRTSA-N 0 0 307.369 2.074 10 10 DECERN CCc1nccn1[C@@H]1CCCN(C(=O)c2cccc(O)c2O)C1 ZINC000187076485 402481760 /nfs/dbraw/zinc/48/17/60/402481760.db2.gz PPQVROBUTTYSPL-GFCCVEGCSA-N 0 0 315.373 2.334 10 10 DECERN COC(=O)C1CCC(C(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000179447384 402590353 /nfs/dbraw/zinc/59/03/53/402590353.db2.gz FZDBWFVQRSZDKG-UHFFFAOYSA-N 0 0 318.417 2.348 10 10 DECERN CC1(C[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])OCCCO1 ZINC000192252481 402719014 /nfs/dbraw/zinc/71/90/14/402719014.db2.gz WLAZPSJPWNKQSY-UHFFFAOYSA-N 0 0 316.741 2.197 10 10 DECERN CCN(CC)c1ccc(CNC(=O)NC[C@@H](O)C(C)C)cc1 ZINC000172607884 402666136 /nfs/dbraw/zinc/66/61/36/402666136.db2.gz UGLKNLWSRLMJTN-MRXNPFEDSA-N 0 0 307.438 2.349 10 10 DECERN Oc1cc(I)cc(Br)c1O ZINC000575687959 406818672 /nfs/dbraw/zinc/81/86/72/406818672.db2.gz ZXMMYTANVMBKLW-UHFFFAOYSA-N 0 0 314.904 2.465 10 10 DECERN CCOC(=O)CNCc1c(N)ccc(N(CC)CC)c1Cl ZINC000584604772 337371412 /nfs/dbraw/zinc/37/14/12/337371412.db2.gz ZQWHQNKRRKTDLH-UHFFFAOYSA-N 0 0 313.829 2.421 10 10 DECERN CCn1cc([C@@H]2CN(Cc3cc(OC)ccc3O)CCO2)cn1 ZINC000191708826 523467978 /nfs/dbraw/zinc/46/79/78/523467978.db2.gz ZXTQWMFYKNEXMQ-KRWDZBQOSA-N 0 0 317.389 2.191 10 10 DECERN COc1ccc(N2CCN(C(=O)[C@H]3CCCO[C@@H]3C)CC2)cc1 ZINC000190476361 524417089 /nfs/dbraw/zinc/41/70/89/524417089.db2.gz ZETCIRBVISNRFF-PBHICJAKSA-N 0 0 318.417 2.159 10 10 DECERN COc1ccc(O)c(CN2C[C@@H](OC)C[C@H]2c2nc(C)no2)c1 ZINC000190155879 524747928 /nfs/dbraw/zinc/74/79/28/524747928.db2.gz MQQMUROHASFBIB-KBPBESRZSA-N 0 0 319.361 2.054 10 10 DECERN CCOc1ccc(N(CC)C[C@H](O)COC[C@@H]2CCCO2)cc1 ZINC000747683204 638463693 /nfs/dbraw/zinc/46/36/93/638463693.db2.gz SWQWEVXXXZKTFE-WMZOPIPTSA-N 0 0 323.433 2.468 10 10 DECERN CCN(C[C@@H](O)COC[C@@H]1CCCO1)c1ccc(OC)cc1 ZINC000747681520 638463783 /nfs/dbraw/zinc/46/37/83/638463783.db2.gz AOULTPGMXBMNSN-WBVHZDCISA-N 0 0 309.406 2.078 10 10 DECERN COc1ccc(N2CCC(NC(=O)[C@@H]3CC[C@@H](C)O3)CC2)cc1 ZINC000151655286 646994480 /nfs/dbraw/zinc/99/44/80/646994480.db2.gz YZXIHCLNTLIKHC-DYVFJYSZSA-N 0 0 318.417 2.348 10 10 DECERN CC(=O)c1cc(F)cc(CN(C)CC(=O)NC(C)(C)C)c1O ZINC000175564809 648354499 /nfs/dbraw/zinc/35/44/99/648354499.db2.gz QDEUZUDMBRTJPI-UHFFFAOYSA-N 0 0 310.369 2.080 10 10 DECERN Cn1cc(Br)c(CNCc2cc(F)ccc2O)n1 ZINC000393333706 685451834 /nfs/dbraw/zinc/45/18/34/685451834.db2.gz VGQSNKYFXDCIIE-UHFFFAOYSA-N 0 0 314.158 2.317 10 10 DECERN C[C@H](Oc1cccc(CO)c1)C(=O)N(C)Cc1ccccc1O ZINC000136461729 684239631 /nfs/dbraw/zinc/23/96/31/684239631.db2.gz TZRGXPSJMSLEAR-ZDUSSCGKSA-N 0 0 315.369 2.310 10 10 DECERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccc(N(C)C)cc1 ZINC000195144311 685089461 /nfs/dbraw/zinc/08/94/61/685089461.db2.gz YVVODZFKUQAACP-UHFFFAOYSA-N 0 0 314.345 2.294 10 10 DECERN Oc1ccc(C2=NN[C@H](c3ccc4c(c3)OCCO4)C2)c(O)c1 ZINC000073169930 191288508 /nfs/dbraw/zinc/28/85/08/191288508.db2.gz YAWLOJFZQFWGHI-ZDUSSCGKSA-N 0 0 312.325 2.308 10 10 DECERN [NH3+]CC[C@H]([NH3+])c1cc(Br)cc(Br)c1[O-] ZINC000306871885 356406262 /nfs/dbraw/zinc/40/62/62/356406262.db2.gz YOTARVQATNCVSV-QMMMGPOBSA-N 0 0 324.016 2.266 10 10 DECERN Cc1ccc(C(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)c(O)c1O ZINC000248424022 292075960 /nfs/dbraw/zinc/07/59/60/292075960.db2.gz ZPKVOEQXXKDRTE-KCPJHIHWSA-N 0 0 303.358 2.094 10 10 DECERN COCCCN1C(=O)/C(=C/c2cccs2)C(C(=O)OC)=C1C ZINC000034859519 401893811 /nfs/dbraw/zinc/89/38/11/401893811.db2.gz WFWHPVKLTOBKKL-JLHYYAGUSA-N 0 0 321.398 2.457 10 10 DECERN COc1cn(-c2ccc(N)cc2)nc1C(=O)NCc1ccccc1 ZINC000097673648 402129508 /nfs/dbraw/zinc/12/95/08/402129508.db2.gz LSTAWLBJOSFZFO-UHFFFAOYSA-N 0 0 322.368 2.393 10 10 DECERN CC(C)(C)NC(=O)CN(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000070976658 402268073 /nfs/dbraw/zinc/26/80/73/402268073.db2.gz ACTVVAFKETTWPU-OAHLLOKOSA-N 0 0 320.433 2.288 10 10 DECERN C[C@H]([NH2+]Cc1cccnc1-n1cncn1)c1ccc(F)cc1[O-] ZINC000185025396 402318077 /nfs/dbraw/zinc/31/80/77/402318077.db2.gz BFHIGHPKGCRDEN-NSHDSACASA-N 0 0 313.336 2.358 10 10 DECERN O=C(N[C@H]1CCCC[C@@H]1n1cccn1)c1cccc(O)c1O ZINC000187160462 402485913 /nfs/dbraw/zinc/48/59/13/402485913.db2.gz NKUHHOSHAKJIMU-STQMWFEESA-N 0 0 301.346 2.208 10 10 DECERN C[C@H]1OCCC[C@H]1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000188482912 402520477 /nfs/dbraw/zinc/52/04/77/402520477.db2.gz OHBDMAWJMMZSKW-TZMCWYRMSA-N 0 0 304.390 2.293 10 10 DECERN CC(=O)c1cc(Cl)cc(CN2CC(F)(F)C[C@@H]2CO)c1O ZINC000366665934 404828029 /nfs/dbraw/zinc/82/80/29/404828029.db2.gz RYSWKRXJQOEBBQ-LLVKDONJSA-N 0 0 319.735 2.450 10 10 DECERN CCOc1ccc(O)c(CN2CCOC[C@H]2c2nc(C)no2)c1 ZINC000188470078 225020848 /nfs/dbraw/zinc/02/08/48/225020848.db2.gz OGMFANNRDQWJGS-AWEZNQCLSA-N 0 0 319.361 2.056 10 10 DECERN CC(=O)Nc1cccc2c1C(=O)c1c(NC(C)=O)cccc1C2=O ZINC000005437699 273494973 /nfs/dbraw/zinc/49/49/73/273494973.db2.gz RKLPTFIRIIMBDK-UHFFFAOYSA-N 0 0 322.320 2.379 10 10 DECERN CCc1nc([C@@H]2CN(Cc3cc(C)c(C)cc3O)CCO2)n[nH]1 ZINC000129184070 522139526 /nfs/dbraw/zinc/13/95/26/522139526.db2.gz MFWKWPLYNPYMEX-HNNXBMFYSA-N 0 0 316.405 2.263 10 10 DECERN CC[C@@H](C(=O)[O-])[N@H+](C)Cc1cc(Br)ccc1O ZINC000234057039 635956301 /nfs/dbraw/zinc/95/63/01/635956301.db2.gz RJEHUFCERHCQQE-JTQLQIEISA-N 0 0 302.168 2.450 10 10 DECERN C[C@@H]1CN(C(=O)NCCCSc2nccs2)C[C@@H](C)O1 ZINC000154687425 648068078 /nfs/dbraw/zinc/06/80/78/648068078.db2.gz XVMGPDOMDYYOSZ-GHMZBOCLSA-N 0 0 315.464 2.444 10 10 DECERN COc1c(CN(C)Cc2ccc(N(C)C)cc2)c(C)nn1C ZINC000155186828 648205791 /nfs/dbraw/zinc/20/57/91/648205791.db2.gz KIZGSMZQJYLLCB-UHFFFAOYSA-N 0 0 302.422 2.435 10 10 DECERN CCN(CC)c1ccc(CNC(=O)CCCCC(N)=O)cc1F ZINC000187506312 684339205 /nfs/dbraw/zinc/33/92/05/684339205.db2.gz LMUVXRZLRJJXPF-UHFFFAOYSA-N 0 0 323.412 2.334 10 10 DECERN CCN1CN(C(=O)c2sccc2-n2c(C)ccc2C)CC1=O ZINC000190583830 684408755 /nfs/dbraw/zinc/40/87/55/684408755.db2.gz FGKIWJPHDBDVBF-UHFFFAOYSA-N 0 0 317.414 2.417 10 10 DECERN Cn1c(=O)sc2cc(C=C3SC(=S)NC3=O)ccc21 ZINC000588590235 777561159 /nfs/dbraw/zinc/56/11/59/777561159.db2.gz SDYXIUGQIFARMC-UITAMQMPSA-N 0 0 308.409 2.089 10 10 DECERN [O-]c1c(Br)cccc1C[NH2+]CC[C@@H](O)C(F)F ZINC000716764268 793007392 /nfs/dbraw/zinc/00/73/92/793007392.db2.gz JRCPKDHXVISWHV-SECBINFHSA-N 0 0 310.138 2.260 10 10 DECERN O=C([O-])C[N@H+](Cc1ccc(Br)cc1O)CC1CC1 ZINC000691415268 954684467 /nfs/dbraw/zinc/68/44/67/954684467.db2.gz RSXQBMOGGUCTAC-UHFFFAOYSA-N 0 0 314.179 2.451 10 10 DECERN CC[N@H+](CCC(=O)[O-])Cc1ccc(Br)cc1O ZINC000691416142 976355803 /nfs/dbraw/zinc/35/58/03/976355803.db2.gz WOPZLCJIMSJZKJ-UHFFFAOYSA-N 0 0 302.168 2.451 10 10 DECERN CCc1nc2n(n1)C[C@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)CC2 ZINC000190973563 529751507 /nfs/dbraw/zinc/75/15/07/529751507.db2.gz WNPQLIJXUBAQDR-SECBINFHSA-N 0 0 324.787 2.443 10 10 DECERN CN(C)c1ccc(CN(C)C(=O)N[C@@H]2C[C@H]3OCCC[C@@H]23)cc1 ZINC000252039188 529780117 /nfs/dbraw/zinc/78/01/17/529780117.db2.gz ZCMIYUZULQSJAT-GVDBMIGSSA-N 0 0 317.433 2.462 10 10 DECERN CC1=CC(C)(C)N2C(=O)C(=O)c3c2c1cc(O)c3CN(C)C ZINC000072415022 191155977 /nfs/dbraw/zinc/15/59/77/191155977.db2.gz IGBWAPRJYISOSX-UHFFFAOYSA-N 0 0 300.358 2.179 10 10 DECERN C[C@@H]1C[C@H]1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000075982562 191546483 /nfs/dbraw/zinc/54/64/83/191546483.db2.gz HPJMBBSPPSKPDJ-CZUORRHYSA-N 0 0 303.406 2.073 10 10 DECERN COc1cc(C(=O)/N=N/N)c(Cc2ccccn2)c(Cl)n1 ZINC000198785176 356264437 /nfs/dbraw/zinc/26/44/37/356264437.db2.gz BUHAAUUOBHHTSD-UHFFFAOYSA-N 0 0 305.725 2.196 10 10 DECERN CN(C)c1ccc(CNC(=O)NC[C@H]2CCCC[C@H]2O)cc1 ZINC000077515362 401818626 /nfs/dbraw/zinc/81/86/26/401818626.db2.gz XQZAUFJHEVBNFD-GDBMZVCRSA-N 0 0 305.422 2.103 10 10 DECERN CN(Cc1ccccc1O)C(=O)[C@H]1CCCN1c1nccs1 ZINC000120243851 401983539 /nfs/dbraw/zinc/98/35/39/401983539.db2.gz VTXRLMPYGPOONK-CYBMUJFWSA-N 0 0 317.414 2.476 10 10 DECERN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCNC(=O)CC1 ZINC000065901923 402128362 /nfs/dbraw/zinc/12/83/62/402128362.db2.gz LYQOEBBWFUGUCX-UHFFFAOYSA-N 0 0 317.414 2.118 10 10 DECERN Cc1cnn([C@H]2CCCN(C(=O)c3ccc(C)c(O)c3O)C2)c1 ZINC000179484714 402591296 /nfs/dbraw/zinc/59/12/96/402591296.db2.gz XSKNEZZPMXKCHX-ZDUSSCGKSA-N 0 0 315.373 2.388 10 10 DECERN CC[S@](=O)[C@H]1CCC[C@H](NC(=O)Cc2ccc(N)cc2)C1 ZINC000262634923 402728709 /nfs/dbraw/zinc/72/87/09/402728709.db2.gz OMEDFZYGGAPILW-GXZWQRSESA-N 0 0 308.447 2.007 10 10 DECERN O=C(c1cccc(O)c1O)N1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000193133307 402765891 /nfs/dbraw/zinc/76/58/91/402765891.db2.gz YYQGSPCHBDEITK-BXUZGUMPSA-N 0 0 317.341 2.419 10 10 DECERN Cc1nnc([C@H](NC(=O)c2cccc(O)c2O)c2ccccc2)[nH]1 ZINC000193014148 225148859 /nfs/dbraw/zinc/14/88/59/225148859.db2.gz UYZRFRGXSWPKDL-CQSZACIVSA-N 0 0 324.340 2.044 10 10 DECERN Cc1ccc(C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c(O)c1O ZINC000182824836 301515335 /nfs/dbraw/zinc/51/53/35/301515335.db2.gz XFIGDWZHKAEASA-SJCJKPOMSA-N 0 0 305.374 2.173 10 10 DECERN COc1ccc(O)c([C@@H](C)Nc2nn3c(nccc3=O)s2)c1 ZINC000301184766 336293868 /nfs/dbraw/zinc/29/38/68/336293868.db2.gz JBZAWFJXKDEEKA-MRVPVSSYSA-N 0 0 318.358 2.038 10 10 DECERN C[C@H]1COCC[C@H]1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000194182067 625694547 /nfs/dbraw/zinc/69/45/47/625694547.db2.gz MLISLGBITREONY-XJKSGUPXSA-N 0 0 302.418 2.358 10 10 DECERN COCC[C@H](COC)[NH2+]Cc1cccc(Br)c1[O-] ZINC000311140251 625251319 /nfs/dbraw/zinc/25/13/19/625251319.db2.gz YLIOZMDFFOMNRY-LLVKDONJSA-N 0 0 318.211 2.296 10 10 DECERN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1ccc(C)c(O)c1O ZINC000179517814 625792184 /nfs/dbraw/zinc/79/21/84/625792184.db2.gz BDCGYAQYMAKNKF-SNVBAGLBSA-N 0 0 317.389 2.118 10 10 DECERN C[C@@H]1C[C@@H]1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000170806421 646667906 /nfs/dbraw/zinc/66/79/06/646667906.db2.gz OXJQBZABLIRHOF-DYVFJYSZSA-N 0 0 317.433 2.103 10 10 DECERN CN(C)c1ccc(CNC(=O)Cn2ncc3ccccc32)cc1 ZINC000730451601 647195728 /nfs/dbraw/zinc/19/57/28/647195728.db2.gz OBCOFHILGGKOOH-UHFFFAOYSA-N 0 0 308.385 2.419 10 10 DECERN CC(C)Cn1ccnc1CNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181120227 648553381 /nfs/dbraw/zinc/55/33/81/648553381.db2.gz WFOHZBMDQUDLSI-GQCTYLIASA-N 0 0 315.373 2.280 10 10 DECERN CCc1nc(CNC(=O)NCc2cc(OC)ccc2O)cs1 ZINC000114597196 651975310 /nfs/dbraw/zinc/97/53/10/651975310.db2.gz BRXQKCFVECIEQK-UHFFFAOYSA-N 0 0 321.402 2.419 10 10 DECERN C[C@H]1CC[C@H](C(=O)NCc2ccc(N3CCSCC3)cc2)O1 ZINC000132741859 684212801 /nfs/dbraw/zinc/21/28/01/684212801.db2.gz UEZKCYADCYQLPE-XJKSGUPXSA-N 0 0 320.458 2.424 10 10 DECERN O=C(NCCCSc1nccs1)NCC1(CCO)CC1 ZINC000187555285 684340787 /nfs/dbraw/zinc/34/07/87/684340787.db2.gz OYHAZKWOIGFLQG-UHFFFAOYSA-N 0 0 315.464 2.087 10 10 DECERN CN(Cc1ccccc1O)C(=O)NCc1ccc(CO)c(F)c1 ZINC000194927934 685082488 /nfs/dbraw/zinc/08/24/88/685082488.db2.gz XJAIELLDFWHDTQ-UHFFFAOYSA-N 0 0 318.348 2.365 10 10 DECERN NC(=O)[C@@H]1Cc2ccccc2CN1Cc1cc(Cl)ccc1O ZINC000119793684 401967063 /nfs/dbraw/zinc/96/70/63/401967063.db2.gz LPLKXBYVERSGQU-HNNXBMFYSA-N 0 0 316.788 2.458 10 10 DECERN Nc1ccc(CC(=O)N[C@H]2CCCN(c3ccccc3)C2=O)cc1 ZINC000158717901 402310599 /nfs/dbraw/zinc/31/05/99/402310599.db2.gz NYHQLZKKAPIGHJ-KRWDZBQOSA-N 0 0 323.396 2.123 10 10 DECERN CC[C@@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)c1ccccc1O ZINC000367640845 405111820 /nfs/dbraw/zinc/11/18/20/405111820.db2.gz AAWUVHZLJVYPQM-CVEARBPZSA-N 0 0 318.417 2.213 10 10 DECERN CC1CCN(c2ccc(CNC(=O)N3CC(CO)C3)cc2)CC1 ZINC000188753490 521042098 /nfs/dbraw/zinc/04/20/98/521042098.db2.gz DSFUWQZMXOEUCE-UHFFFAOYSA-N 0 0 317.433 2.057 10 10 DECERN C[C@H]1CN(Cc2ccc(N3CCCCC3)cc2)CCS1(=O)=O ZINC000127839650 524620067 /nfs/dbraw/zinc/62/00/67/524620067.db2.gz GHLPEVACLNKHRO-HNNXBMFYSA-N 0 0 322.474 2.296 10 10 DECERN Cc1ccc(C(=O)N2CCC(c3ccnn3C)CC2)c(O)c1O ZINC000182480535 526087145 /nfs/dbraw/zinc/08/71/45/526087145.db2.gz GLUXCGVMDGXEBE-UHFFFAOYSA-N 0 0 315.373 2.160 10 10 DECERN O=[N+]([O-])c1cc(Cl)cc(CN2CC[NH+](C3CC3)CC2)c1[O-] ZINC000127901676 527333041 /nfs/dbraw/zinc/33/30/41/527333041.db2.gz FVEICMNMRJQUCE-UHFFFAOYSA-N 0 0 311.769 2.234 10 10 DECERN CC[N@H+](CC(=O)[O-])C1CC(NCc2ccc(OC)c(C)c2)C1 ZINC000263494084 527933853 /nfs/dbraw/zinc/93/38/53/527933853.db2.gz JFCNEPVLHHGMDC-UHFFFAOYSA-N 0 0 306.406 2.031 10 10 DECERN COc1ccc(N2CCCN(C(=O)[C@H]3CC[C@@H](C)O3)CC2)cc1 ZINC000178127018 625133368 /nfs/dbraw/zinc/13/33/68/625133368.db2.gz ZMWGPUZZKLIUER-RHSMWYFYSA-N 0 0 318.417 2.301 10 10 DECERN CC(=O)c1cc(Cl)cc(CN2CCn3ccnc3C2)c1O ZINC000062254114 646720124 /nfs/dbraw/zinc/72/01/24/646720124.db2.gz GZTRIYQKLCYGFK-UHFFFAOYSA-N 0 0 305.765 2.461 10 10 DECERN N#Cc1ccc(OCCNC(=O)/C=C/c2ccc(O)c(O)c2)cc1 ZINC000181125603 648557369 /nfs/dbraw/zinc/55/73/69/648557369.db2.gz SAEBHHFCKMIHEE-XBXARRHUSA-N 0 0 324.336 2.178 10 10 DECERN [O-]c1c(Br)cc(Cl)cc1C[NH2+]C1(CO)CC1 ZINC000708158564 1086676678 /nfs/dbraw/zinc/67/66/78/1086676678.db2.gz RVRJOEMKEOXGMD-UHFFFAOYSA-N 0 0 306.587 2.423 10 10 DECERN O=C([C@@H]1Nc2ccccc2[C@H]2C=CC[C@@H]21)N1CCn2cncc2C1 ZINC000072164118 296082994 /nfs/dbraw/zinc/08/29/94/296082994.db2.gz CXWVBRKPVPJPCT-UWWQBHOKSA-N 0 0 320.396 2.379 10 10 DECERN CN(C)c1ccc(C=CC=C2C(=O)NC(=S)NC2=O)cc1 ZINC000017139577 182077233 /nfs/dbraw/zinc/07/72/33/182077233.db2.gz VPYIQBMBOGWJPO-ARJAWSKDSA-N 0 0 301.371 2.063 10 10 DECERN CN(C)c1ccc(CNC(=O)NC[C@@H]2CCCC[C@@H]2O)cc1 ZINC000077515354 401818537 /nfs/dbraw/zinc/81/85/37/401818537.db2.gz XQZAUFJHEVBNFD-HOCLYGCPSA-N 0 0 305.422 2.103 10 10 DECERN CC(C)(C)NC(=O)CN(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000070976656 402267862 /nfs/dbraw/zinc/26/78/62/402267862.db2.gz ACTVVAFKETTWPU-HNNXBMFYSA-N 0 0 320.433 2.288 10 10 DECERN COc1ccc(O)c(C[NH2+]CCCNC(=O)OC(C)(C)C)c1 ZINC000224795382 402314952 /nfs/dbraw/zinc/31/49/52/402314952.db2.gz MPEAUCXVKNHNGB-UHFFFAOYSA-N 0 0 310.394 2.405 10 10 DECERN C[C@@H]([NH2+]Cc1cccnc1-n1cncn1)c1ccc(F)cc1[O-] ZINC000185025412 402318036 /nfs/dbraw/zinc/31/80/36/402318036.db2.gz BFHIGHPKGCRDEN-LLVKDONJSA-N 0 0 313.336 2.358 10 10 DECERN COc1cccc(CN2CCN(c3cccs3)C(=O)C2)c1O ZINC000185669353 402368222 /nfs/dbraw/zinc/36/82/22/402368222.db2.gz WZAKAESOMHXMQT-UHFFFAOYSA-N 0 0 318.398 2.311 10 10 DECERN Cc1cnn([C@H]2CCCN(C(=O)c3cccc(O)c3O)C2)c1 ZINC000187076874 402481903 /nfs/dbraw/zinc/48/19/03/402481903.db2.gz AYNAEHHTYUSWIU-LBPRGKRZSA-N 0 0 301.346 2.080 10 10 DECERN Cc1cc(Cl)cc(CN2CC[C@H](C)S(=O)(=O)CC2)c1O ZINC000192050106 402707895 /nfs/dbraw/zinc/70/78/95/402707895.db2.gz UOJNWZYBFCHFQD-NSHDSACASA-N 0 0 317.838 2.363 10 10 DECERN Cc1ccc(C(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c(O)c1O ZINC000248405690 225237920 /nfs/dbraw/zinc/23/79/20/225237920.db2.gz BCGWHLIQSGFNSL-DAXOMENPSA-N 0 0 317.385 2.484 10 10 DECERN COCCOc1ccc(N2CCC3(CC2)OCCO3)cc1OC ZINC000584615609 337372841 /nfs/dbraw/zinc/37/28/41/337372841.db2.gz UGFADHFJOAEHGF-UHFFFAOYSA-N 0 0 323.389 2.064 10 10 DECERN CC(C)C(=O)NC(NC(=O)C(C)C)c1ccc(N(C)C)cc1 ZINC000584651711 337381054 /nfs/dbraw/zinc/38/10/54/337381054.db2.gz GBNUQLMOMKTIMO-UHFFFAOYSA-N 0 0 305.422 2.296 10 10 DECERN COc1ccc(N(C)Cc2nnc(C3CC3)n2C)c(OC)c1 ZINC000131782837 524355549 /nfs/dbraw/zinc/35/55/49/524355549.db2.gz YUTRJCTZEYXQSA-UHFFFAOYSA-N 0 0 302.378 2.346 10 10 DECERN O=[N+]([O-])c1cnc(Sc2nnnn2-c2ccccc2)s1 ZINC000034032044 636112411 /nfs/dbraw/zinc/11/24/11/636112411.db2.gz QGBSBUBEKWWOPF-UHFFFAOYSA-N 0 0 306.332 2.178 10 10 DECERN C[C@@H](NC(=O)c1cccc(O)c1O)c1ccc(-n2cncn2)cc1 ZINC000186789228 636565543 /nfs/dbraw/zinc/56/55/43/636565543.db2.gz QPODHJNKMIGWMP-LLVKDONJSA-N 0 0 324.340 2.170 10 10 DECERN O=C(NCc1ccnc(OC(F)F)c1)c1cccc(O)c1O ZINC000803669896 645679149 /nfs/dbraw/zinc/67/91/49/645679149.db2.gz FBYVVRCIZUIBSE-UHFFFAOYSA-N 0 0 310.256 2.024 10 10 DECERN C[C@@H](NC(=O)NCCCSc1nccs1)[C@H]1CCCO1 ZINC000152379238 647149060 /nfs/dbraw/zinc/14/90/60/647149060.db2.gz LIOTZSPPCQASBS-GHMZBOCLSA-N 0 0 315.464 2.492 10 10 DECERN C[C@H](NC(=O)NCCCSc1nccs1)[C@@H]1CCCO1 ZINC000152379019 647149189 /nfs/dbraw/zinc/14/91/89/647149189.db2.gz LIOTZSPPCQASBS-QWRGUYRKSA-N 0 0 315.464 2.492 10 10 DECERN C[C@H]1CN(C(=O)NCCCSc2nccs2)C[C@H](C)O1 ZINC000154687356 648067831 /nfs/dbraw/zinc/06/78/31/648067831.db2.gz XVMGPDOMDYYOSZ-QWRGUYRKSA-N 0 0 315.464 2.444 10 10 DECERN CC(C)CC[C@@](C)(O)CNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181144179 648566089 /nfs/dbraw/zinc/56/60/89/648566089.db2.gz JFXDLAKLUBTZQM-QQOXCAACSA-N 0 0 307.390 2.414 10 10 DECERN Nc1ccc(CC(=O)Nc2ccc(N3CCOCC3)cc2)cc1 ZINC000071700086 649167918 /nfs/dbraw/zinc/16/79/18/649167918.db2.gz HBGBMXFDRSTJIC-UHFFFAOYSA-N 0 0 311.385 2.287 10 10 DECERN [O-]c1c(Br)cccc1C[NH2+]C[C@H]1CCC[C@@H]1O ZINC000089164733 684019940 /nfs/dbraw/zinc/01/99/40/684019940.db2.gz NGVOGVACGLWQNK-SKDRFNHKSA-N 0 0 300.196 2.405 10 10 DECERN C[C@H]([NH2+]CC[C@@H]1CCCS1(=O)=O)c1cc(F)ccc1O ZINC000714360496 792311625 /nfs/dbraw/zinc/31/16/25/792311625.db2.gz VFUATKGSFSWTJG-JQWIXIFHSA-N 0 0 301.383 2.149 10 10 DECERN CCC[N@H+](CC(=O)[O-])Cc1ccc(Br)cc1O ZINC000691415382 968906909 /nfs/dbraw/zinc/90/69/09/968906909.db2.gz SKTPZTUGGKGYCU-UHFFFAOYSA-N 0 0 302.168 2.451 10 10 DECERN CC[C@@H](NCC(=O)OC)c1cc(Br)ccc1O ZINC000019885498 182160661 /nfs/dbraw/zinc/16/06/61/182160661.db2.gz ISMUNVLBGQEXMX-SNVBAGLBSA-N 0 0 302.168 2.368 10 10 DECERN COc1ccc(N2CCCN(C(=O)N[C@@H]3C[C@@H]3C)CC2)cc1 ZINC000075979962 401776117 /nfs/dbraw/zinc/77/61/17/401776117.db2.gz LDQJYINDRYSACO-XJKSGUPXSA-N 0 0 303.406 2.325 10 10 DECERN CN(C[C@H](O)COCc1ccccc1)c1ccc2c(c1)OCO2 ZINC000121253020 402023318 /nfs/dbraw/zinc/02/33/18/402023318.db2.gz FDGGLFITOZRNGS-INIZCTEOSA-N 0 0 315.369 2.429 10 10 DECERN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1noc(C)n1 ZINC000175697883 402825638 /nfs/dbraw/zinc/82/56/38/402825638.db2.gz LIZCGXOKDCTPCI-UHFFFAOYSA-N 0 0 317.393 2.176 10 10 DECERN COc1ccc(O)c([C@H](C)Nc2nn3c(nccc3=O)s2)c1 ZINC000301184767 336293807 /nfs/dbraw/zinc/29/38/07/336293807.db2.gz JBZAWFJXKDEEKA-QMMMGPOBSA-N 0 0 318.358 2.038 10 10 DECERN Cc1cc(C(=O)N2CCNC(=O)CC2)c(C)n1-c1ccccc1 ZINC000065903482 534043787 /nfs/dbraw/zinc/04/37/87/534043787.db2.gz KJCXJKGUVOMGON-UHFFFAOYSA-N 0 0 311.385 2.056 10 10 DECERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCc1ccccc1O ZINC000185388744 524697360 /nfs/dbraw/zinc/69/73/60/524697360.db2.gz BXCZFALGMONBFF-GFCCVEGCSA-N 0 0 315.369 2.483 10 10 DECERN Cc1ccc(C(=O)N2CCO[C@H](c3nccs3)C2)c(O)c1O ZINC000182418292 526120257 /nfs/dbraw/zinc/12/02/57/526120257.db2.gz AJJCSIBJVKNXJD-NSHDSACASA-N 0 0 320.370 2.076 10 10 DECERN O=C(c1cccc(O)c1O)N1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000193133296 526772224 /nfs/dbraw/zinc/77/22/24/526772224.db2.gz YYQGSPCHBDEITK-FZMZJTMJSA-N 0 0 317.341 2.419 10 10 DECERN CCc1cnc(CCNC(=O)c2ccc(C)c(O)c2O)s1 ZINC000179523248 625793281 /nfs/dbraw/zinc/79/32/81/625793281.db2.gz PBHUJWFKFYGGSJ-UHFFFAOYSA-N 0 0 306.387 2.398 10 10 DECERN COc1cccc(CNC(=O)NC[C@@H](C)c2ccncc2)c1O ZINC000749614129 638665794 /nfs/dbraw/zinc/66/57/94/638665794.db2.gz VHRNZNDVAAHVAY-GFCCVEGCSA-N 0 0 315.373 2.399 10 10 DECERN Cc1ccc(O)c(CNCc2nn(C)cc2Br)c1 ZINC000393321010 685451685 /nfs/dbraw/zinc/45/16/85/685451685.db2.gz ACZIVRYLQIMSJA-UHFFFAOYSA-N 0 0 310.195 2.486 10 10 DECERN CNC(=O)[C@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000398461466 790276419 /nfs/dbraw/zinc/27/64/19/790276419.db2.gz JHMGSVNIQNLRHQ-QMMMGPOBSA-N 0 0 303.189 2.267 10 10 DECERN C[C@@H]1C[N@H+](Cc2ccc(Br)cc2O)C[C@H]1C(=O)[O-] ZINC000691412059 976355474 /nfs/dbraw/zinc/35/54/74/976355474.db2.gz CIAGDYZTWDWBJV-LDYMZIIASA-N 0 0 314.179 2.307 10 10 DECERN CN1CC[C@H](CNC(=O)c2cccc(O)c2O)c2ccccc21 ZINC000192988827 529804414 /nfs/dbraw/zinc/80/44/14/529804414.db2.gz NIZSWZNJZRGINV-GFCCVEGCSA-N 0 0 312.369 2.451 10 10 DECERN COCCCN(C)c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC000066372063 354711446 /nfs/dbraw/zinc/71/14/46/354711446.db2.gz FIXPFUITFRKFGH-SOFGYWHQSA-N 0 0 308.334 2.254 10 10 DECERN Nc1ccc(OCC(=O)Nc2ccc(Br)cn2)cc1 ZINC000038055553 182983497 /nfs/dbraw/zinc/98/34/97/182983497.db2.gz XHWRPUJCNRNOME-UHFFFAOYSA-N 0 0 322.162 2.444 10 10 DECERN O=C(N1CCc2cc(N3CCCC3)ccc21)N1CCOCC1 ZINC000041121370 183167961 /nfs/dbraw/zinc/16/79/61/183167961.db2.gz FRXYMBHNRKZSMD-UHFFFAOYSA-N 0 0 301.390 2.102 10 10 DECERN CCCN(Cc1ccccc1O)C(=O)NCCc1nc(C)no1 ZINC000066702652 402140127 /nfs/dbraw/zinc/14/01/27/402140127.db2.gz XPCDAWYGEOUVCG-UHFFFAOYSA-N 0 0 318.377 2.248 10 10 DECERN COC(=O)[C@@]1(C)CCCN1Cc1cc(F)cc(C(C)=O)c1O ZINC000186396831 402427776 /nfs/dbraw/zinc/42/77/76/402427776.db2.gz QOZYAJAMKQBKQL-MRXNPFEDSA-N 0 0 309.337 2.261 10 10 DECERN CCN(CC)c1ccc(CNC(=O)N[C@@H](C)[C@H](C)CO)cc1 ZINC000172607901 402666046 /nfs/dbraw/zinc/66/60/46/402666046.db2.gz DBCCKGFUYVUUBH-KGLIPLIRSA-N 0 0 307.438 2.349 10 10 DECERN C[C@H]1COCC[C@H]1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000194530118 402801576 /nfs/dbraw/zinc/80/15/76/402801576.db2.gz LZNVEQMARNYWBE-GXTWGEPZSA-N 0 0 304.390 2.151 10 10 DECERN Cc1ccc(C(=O)Nc2cccc(-c3nc[nH]n3)c2)c(O)c1O ZINC000365935507 404746520 /nfs/dbraw/zinc/74/65/20/404746520.db2.gz XEZWWWVSEVWRHA-UHFFFAOYSA-N 0 0 310.313 2.444 10 10 DECERN CC[C@H]1CN(Cc2cccc(Cl)c2[O-])CC[N@@H+]1C[C@@H](C)O ZINC000180085587 523290896 /nfs/dbraw/zinc/29/08/96/523290896.db2.gz NWADKQVKXVKZBU-OCCSQVGLSA-N 0 0 312.841 2.323 10 10 DECERN CCn1cc([C@H]2CN(Cc3cc(F)ccc3O)CCO2)cn1 ZINC000191695768 523482053 /nfs/dbraw/zinc/48/20/53/523482053.db2.gz WGTLNFBMEXZDND-MRXNPFEDSA-N 0 0 305.353 2.321 10 10 DECERN COc1ccc(N2CCN(C(=O)[C@H]3CCOC[C@H]3C)CC2)cc1 ZINC000193811405 625665330 /nfs/dbraw/zinc/66/53/30/625665330.db2.gz GWFAEGGCIUKVQO-PBHICJAKSA-N 0 0 318.417 2.016 10 10 DECERN C[C@@H]1COCC[C@@H]1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000194182019 625694463 /nfs/dbraw/zinc/69/44/63/625694463.db2.gz MLISLGBITREONY-CJNGLKHVSA-N 0 0 302.418 2.358 10 10 DECERN O=C(NCCCSc1nccs1)N[C@H]1CCCOC1 ZINC000177820618 625094192 /nfs/dbraw/zinc/09/41/92/625094192.db2.gz WHMCMPBKFFRRBA-JTQLQIEISA-N 0 0 301.437 2.104 10 10 DECERN COCc1ccc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)o1 ZINC000186427498 634551568 /nfs/dbraw/zinc/55/15/68/634551568.db2.gz VIGVQZUOVBEHRN-JTQLQIEISA-N 0 0 305.330 2.198 10 10 DECERN CCOc1cccnc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000186396983 634201368 /nfs/dbraw/zinc/20/13/68/634201368.db2.gz KVTPDLIIJHYGKK-NSHDSACASA-N 0 0 316.357 2.253 10 10 DECERN COC[C@@H](C)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000103431160 637864800 /nfs/dbraw/zinc/86/48/00/637864800.db2.gz KUEVCRPWEZXLJU-CYBMUJFWSA-N 0 0 308.447 2.139 10 10 DECERN CCOc1ccc(N(CC)C[C@@H](O)COC[C@@H]2CCCO2)cc1 ZINC000747683198 638463609 /nfs/dbraw/zinc/46/36/09/638463609.db2.gz SWQWEVXXXZKTFE-AEFFLSMTSA-N 0 0 323.433 2.468 10 10 DECERN COc1cccc(CNC(=O)NCc2cccc(C)n2)c1O ZINC000174150715 646793751 /nfs/dbraw/zinc/79/37/51/646793751.db2.gz VVWVKEZDVPTPST-UHFFFAOYSA-N 0 0 301.346 2.104 10 10 DECERN COc1cccc(CNC(=O)CCc2ccccc2O)c1O ZINC000068488522 648470134 /nfs/dbraw/zinc/47/01/34/648470134.db2.gz WYWPWNJSHJPIPB-UHFFFAOYSA-N 0 0 301.342 2.355 10 10 DECERN Oc1ccc(F)cc1CN1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000180279584 648478611 /nfs/dbraw/zinc/47/86/11/648478611.db2.gz PBJFHAPDVFNQPQ-GDBMZVCRSA-N 0 0 321.348 2.449 10 10 DECERN Oc1ccc(F)cc1CN1CCOC[C@@H]1C[C@@H](O)c1ccco1 ZINC000180279617 648478894 /nfs/dbraw/zinc/47/88/94/648478894.db2.gz PBJFHAPDVFNQPQ-GOEBONIOSA-N 0 0 321.348 2.449 10 10 DECERN C[C@H]1CC[C@H](C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)O1 ZINC000124981682 684140684 /nfs/dbraw/zinc/14/06/84/684140684.db2.gz ULWJITABVDVRQA-WMLDXEAASA-N 0 0 318.417 2.049 10 10 DECERN C[C@H]1CC[C@@H](C(=O)NCc2ccc(N3CCSCC3)cc2)O1 ZINC000132742344 684212795 /nfs/dbraw/zinc/21/27/95/684212795.db2.gz UEZKCYADCYQLPE-BBRMVZONSA-N 0 0 320.458 2.424 10 10 DECERN CC(C)(C)c1nnsc1C(=O)NCCc1ccc(O)c(O)c1 ZINC000189520493 684382904 /nfs/dbraw/zinc/38/29/04/684382904.db2.gz AJWBIAYYYZSWJH-UHFFFAOYSA-N 0 0 321.402 2.219 10 10 DECERN [O-]c1c(Br)cccc1C[NH2+][C@@H](CO)C1CCC1 ZINC000717604760 799427122 /nfs/dbraw/zinc/42/71/22/799427122.db2.gz ZPAFRABHRITUAA-LBPRGKRZSA-N 0 0 300.196 2.405 10 10 DECERN CC1(C(=O)[O-])C[NH+](Cc2ccc(Br)cc2O)C1 ZINC000691438205 976355932 /nfs/dbraw/zinc/35/59/32/976355932.db2.gz XNHLNAGBAHDSHR-UHFFFAOYSA-N 0 0 300.152 2.061 10 10 DECERN COc1ccc(N2CCN(C(=O)N[C@H]3C[C@H]3C)CC2)cc1F ZINC000084880221 192471131 /nfs/dbraw/zinc/47/11/31/192471131.db2.gz GKPUPPGQPWKEDA-RISCZKNCSA-N 0 0 307.369 2.074 10 10 DECERN C[C@H](CO)[C@H](C)NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000077776908 191773753 /nfs/dbraw/zinc/77/37/53/191773753.db2.gz NSJNNLULQLEVEO-KGLIPLIRSA-N 0 0 305.422 2.103 10 10 DECERN Cc1ccn2ncc(C(=O)N(C)Cc3ccc(N(C)C)cc3)c2n1 ZINC000068720783 184497166 /nfs/dbraw/zinc/49/71/66/184497166.db2.gz STQWDYGWGADPKG-UHFFFAOYSA-N 0 0 323.400 2.376 10 10 DECERN COC(=O)C1(NC(=O)Cc2ccc(N)cc2)CCC(C)CC1 ZINC000262646287 533239073 /nfs/dbraw/zinc/23/90/73/533239073.db2.gz SNKPKCDDUGRKEB-UHFFFAOYSA-N 0 0 304.390 2.049 10 10 DECERN CCc1nnc(CN(C)c2cc(OC)c(OC)c(OC)c2)n1C ZINC000172895703 402678926 /nfs/dbraw/zinc/67/89/26/402678926.db2.gz LSPSBIHNLYKOOT-UHFFFAOYSA-N 0 0 320.393 2.040 10 10 DECERN C[C@@H]1COCC[C@H]1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000194530107 288364447 /nfs/dbraw/zinc/36/44/47/288364447.db2.gz LZNVEQMARNYWBE-TZMCWYRMSA-N 0 0 304.390 2.151 10 10 DECERN CCn1c(C)nc2c([O-])c(C[NH+]3CCCCC3)ccc2c1=O ZINC000039124457 288678010 /nfs/dbraw/zinc/67/80/10/288678010.db2.gz UTHBSWXXDUVNAA-UHFFFAOYSA-N 0 0 301.390 2.416 10 10 DECERN CO[C@@H]1CN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC[C@@H]1C ZINC000190657944 523732667 /nfs/dbraw/zinc/73/26/67/523732667.db2.gz XVYAGCUZOBIUIV-BLLLJJGKSA-N 0 0 323.412 2.458 10 10 DECERN O=C(c1cccc(O)c1O)N1CCO[C@H](c2cccs2)C1 ZINC000185850635 526770898 /nfs/dbraw/zinc/77/08/98/526770898.db2.gz PZMMDWXMYFOCKR-LBPRGKRZSA-N 0 0 305.355 2.373 10 10 DECERN CN1CCc2cc(/C=C3\N=C(c4cccnc4)OC3=O)ccc21 ZINC000255313769 624155621 /nfs/dbraw/zinc/15/56/21/624155621.db2.gz QBABZJGKBYZISJ-GDNBJRDFSA-N 0 0 305.337 2.418 10 10 DECERN [O-]c1c(Br)cccc1C[NH2+]CC1(CCO)CC1 ZINC000157340608 646532644 /nfs/dbraw/zinc/53/26/44/646532644.db2.gz QVIORRJWUIEXCA-UHFFFAOYSA-N 0 0 300.196 2.407 10 10 DECERN O=C(C1=CC(=O)CS1)N1CCC(C(=O)N2CCCCC2)CC1 ZINC000732257728 647556188 /nfs/dbraw/zinc/55/61/88/647556188.db2.gz ZXCAHAWGOSWGEA-UHFFFAOYSA-N 0 0 322.430 2.318 10 10 DECERN CN(Cc1nnc(C2CCC2)n1C)c1ccc2c(c1)OCO2 ZINC000181519730 648683452 /nfs/dbraw/zinc/68/34/52/648683452.db2.gz QENFQWPQZFRECE-UHFFFAOYSA-N 0 0 300.362 2.448 10 10 DECERN O=C([C@@H]1Nc2ccccc2[C@@H]2C=CC[C@@H]21)N1CCn2cncc2C1 ZINC000072164117 649303363 /nfs/dbraw/zinc/30/33/63/649303363.db2.gz CXWVBRKPVPJPCT-QILLFSRXSA-N 0 0 320.396 2.379 10 10 DECERN COc1cccc(CNC(=O)NCc2ccc(N(C)C)cc2)n1 ZINC000128921192 684174781 /nfs/dbraw/zinc/17/47/81/684174781.db2.gz MVXBHTLDFWNSGL-UHFFFAOYSA-N 0 0 314.389 2.156 10 10 DECERN C[C@H](CC[NH2+]Cc1cccc(Br)c1[O-])[S@@](C)=O ZINC000129324352 684178517 /nfs/dbraw/zinc/17/85/17/684178517.db2.gz LORBURSLYNZPNL-XLFHBGCDSA-N 0 0 320.252 2.401 10 10 DECERN C[C@H](NC(=O)c1cccc(O)c1O)c1ccc(-n2ccnn2)cc1 ZINC000193147972 685033419 /nfs/dbraw/zinc/03/34/19/685033419.db2.gz PNPRKCIRYWHZOA-NSHDSACASA-N 0 0 324.340 2.170 10 10 DECERN COc1cccc2c1nc(NC(=O)c1cccc(O)c1O)n2C ZINC000193167599 685034108 /nfs/dbraw/zinc/03/41/08/685034108.db2.gz ZEQPLKYVZUJGKJ-UHFFFAOYSA-N 0 0 313.313 2.245 10 10 DECERN COC(OC)[C@H](C)[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000715747938 792509246 /nfs/dbraw/zinc/50/92/46/792509246.db2.gz XJWWLBFYTRWJGF-ZETCQYMHSA-N 0 0 322.174 2.391 10 10 DECERN Cc1cc(N(CCO)CCO)ccc1OCc1ccccc1 ZINC000039003922 354168302 /nfs/dbraw/zinc/16/83/02/354168302.db2.gz GCNBMSRWMNCBEU-UHFFFAOYSA-N 0 0 301.386 2.365 10 10 DECERN [NH3+]CC[C@@H]([NH3+])c1c(Br)ccc(Br)c1[O-] ZINC000306577660 356404897 /nfs/dbraw/zinc/40/48/97/356404897.db2.gz LNYXHLNJIKPUPP-SSDOTTSWSA-N 0 0 324.016 2.266 10 10 DECERN O=C1CN(Cc2cc(F)ccc2O)CCN1c1cccs1 ZINC000185671833 402368738 /nfs/dbraw/zinc/36/87/38/402368738.db2.gz OHWNKXKAAPPURO-UHFFFAOYSA-N 0 0 306.362 2.442 10 10 DECERN COC(=O)/C=C/c1ccc(N2CCCO[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000171047276 402552426 /nfs/dbraw/zinc/55/24/26/402552426.db2.gz PDDFIEOWQNLTOB-PZBABLGHSA-N 0 0 320.345 2.396 10 10 DECERN C[C@@H]1C[N@H+](Cc2cccc(Cl)c2[O-])C[C@H]1N1CCOCC1 ZINC000245949781 225223536 /nfs/dbraw/zinc/22/35/36/225223536.db2.gz WRWHWYVXNWEGBY-IUODEOHRSA-N 0 0 310.825 2.198 10 10 DECERN c1c(NCc2ccc(N3CCOCC3)cc2)nn2c1CCCC2 ZINC000375747803 424892860 /nfs/dbraw/zinc/89/28/60/424892860.db2.gz WMZLPSWSHVKEPT-UHFFFAOYSA-N 0 0 312.417 2.668 10 10 DECERN CCN(CCS(C)(=O)=O)Cc1cc(Cl)cc(C)c1O ZINC000180576235 521152434 /nfs/dbraw/zinc/15/24/34/521152434.db2.gz BRCLSROFYMIOHV-UHFFFAOYSA-N 0 0 305.827 2.221 10 10 DECERN CCn1cc([C@@H]2CN(Cc3cccc(OC)c3O)CCO2)cn1 ZINC000191709642 523466978 /nfs/dbraw/zinc/46/69/78/523466978.db2.gz VBUKWQGLRUFUEZ-INIZCTEOSA-N 0 0 317.389 2.191 10 10 DECERN Cc1cc(Cl)cc(CN2CCO[C@H](Cn3cccn3)C2)c1O ZINC000180128930 524867005 /nfs/dbraw/zinc/86/70/05/524867005.db2.gz GSIQRDBGOZIOTK-HNNXBMFYSA-N 0 0 321.808 2.452 10 10 DECERN CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)c1cccc(O)c1O ZINC000193131738 528332434 /nfs/dbraw/zinc/33/24/34/528332434.db2.gz VKGRJCXBGRXURD-LLVKDONJSA-N 0 0 316.361 2.078 10 10 DECERN O=C(NCc1ccc(N2CC=CC2)cc1)NCC1(CCO)CC1 ZINC000187229814 637353507 /nfs/dbraw/zinc/35/35/07/637353507.db2.gz IGIJAOYYFZKMSB-UHFFFAOYSA-N 0 0 315.417 2.025 10 10 DECERN CCCN(Cc1ccccc1O)C(=O)c1cn2cccnc2n1 ZINC000727168705 637766654 /nfs/dbraw/zinc/76/66/54/637766654.db2.gz VZDMIXDOLOHNIJ-UHFFFAOYSA-N 0 0 310.357 2.487 10 10 DECERN COc1ccc(O)c(CNC(=O)NC[C@@H](C)c2ccncc2)c1 ZINC000749571394 638660205 /nfs/dbraw/zinc/66/02/05/638660205.db2.gz QFDCOYXXFYHTML-GFCCVEGCSA-N 0 0 315.373 2.399 10 10 DECERN COc1ccc(N2CCN(C(=O)[C@@H]3CC[C@H](C)O3)CC2)cc1F ZINC000120571514 684097709 /nfs/dbraw/zinc/09/77/09/684097709.db2.gz KROZYWMBWVFYRM-LRDDRELGSA-N 0 0 322.380 2.050 10 10 DECERN O=C(NCc1ccc(N2CCCC2)cc1)NCC1(CCO)CC1 ZINC000190284832 684401266 /nfs/dbraw/zinc/40/12/66/684401266.db2.gz RRZLDLPDRHLFCV-UHFFFAOYSA-N 0 0 317.433 2.249 10 10 DECERN COc1ccc(O)c([C@@H](C)NC(=O)/C=C\c2cncc(O)c2)c1 ZINC000588410051 777101912 /nfs/dbraw/zinc/10/19/12/777101912.db2.gz CVPSJLMGXFTIOP-ZTYXWKCZSA-N 0 0 314.341 2.392 10 10 DECERN CN1C[C@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CC1=O ZINC000723547339 777121297 /nfs/dbraw/zinc/12/12/97/777121297.db2.gz GSIURGIRMOMIRT-QMMMGPOBSA-N 0 0 303.189 2.267 10 10 DECERN C[N@H+](Cc1cccc(Cl)c1[O-])CC(C)(C)S(C)(=O)=O ZINC000713908592 792248722 /nfs/dbraw/zinc/24/87/22/792248722.db2.gz BWLYWUMIDRXTIM-UHFFFAOYSA-N 0 0 305.827 2.301 10 10 DECERN CCN(CC(C)(C)O)c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC000114183153 284441519 /nfs/dbraw/zinc/44/15/19/284441519.db2.gz NUKCFGNTKSIYIX-VQHVLOKHSA-N 0 0 322.361 2.378 10 10 DECERN CN1CCCc2cc(CNC(=O)N[C@@H]3CCCOC3)ccc21 ZINC000171602872 402600127 /nfs/dbraw/zinc/60/01/27/402600127.db2.gz JEBXVQGCGDWRPO-OAHLLOKOSA-N 0 0 303.406 2.047 10 10 DECERN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1CCCOC1 ZINC000172702994 402670896 /nfs/dbraw/zinc/67/08/96/402670896.db2.gz CVZFVGIIFAZZLL-OAHLLOKOSA-N 0 0 301.390 2.041 10 10 DECERN Cc1cc(N2CCN(Cc3cc(Cl)ccc3O)CC2)n[nH]1 ZINC000189019026 225041190 /nfs/dbraw/zinc/04/11/90/225041190.db2.gz FAOHZIYTGQJLTI-UHFFFAOYSA-N 0 0 306.797 2.399 10 10 DECERN CO[C@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)CC[C@@H]1C ZINC000190413006 524005387 /nfs/dbraw/zinc/00/53/87/524005387.db2.gz WKONKBDPZVEHGZ-BBRMVZONSA-N 0 0 305.422 2.319 10 10 DECERN Nc1ccc(CC(=O)N[C@@H]2CCCN(c3ccccc3)C2=O)cc1 ZINC000158718029 527478534 /nfs/dbraw/zinc/47/85/34/527478534.db2.gz NYHQLZKKAPIGHJ-QGZVFWFLSA-N 0 0 323.396 2.123 10 10 DECERN COCCc1noc(CN(C)Cc2cc3c(cc2O)CCC3)n1 ZINC000176933454 625485917 /nfs/dbraw/zinc/48/59/17/625485917.db2.gz RYHBOBZUZSOEJI-UHFFFAOYSA-N 0 0 317.389 2.085 10 10 DECERN CCN1CCN(C2=NC(=O)/C(=C\c3ccc(F)cc3)S2)CC1 ZINC000096466585 625760489 /nfs/dbraw/zinc/76/04/89/625760489.db2.gz IVCGYTBNXJAAAX-SDNWHVSQSA-N 0 0 319.405 2.434 10 10 DECERN CN1C[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CCC1=O ZINC000077900108 646518926 /nfs/dbraw/zinc/51/89/26/646518926.db2.gz JPTLZMUSXKMNGV-SNVBAGLBSA-N 0 0 303.189 2.409 10 10 DECERN O=C(C1=CC(=O)CS1)N1CCN(C(=O)C2CCCCC2)CC1 ZINC000732279393 647557209 /nfs/dbraw/zinc/55/72/09/647557209.db2.gz KHJMWJFMQYOJRW-UHFFFAOYSA-N 0 0 322.430 2.318 10 10 DECERN COc1ccc(O)cc1C(=O)NCc1ccc(N(C)C)cc1 ZINC000187258580 684335442 /nfs/dbraw/zinc/33/54/42/684335442.db2.gz BBBUQWGWCLLACH-UHFFFAOYSA-N 0 0 300.358 2.397 10 10 DECERN CC(=O)c1cc(F)cc(CN2CCN(CCCF)CC2)c1O ZINC000402735980 801904814 /nfs/dbraw/zinc/90/48/14/801904814.db2.gz FWVJJFGBMMTVGB-UHFFFAOYSA-N 0 0 312.360 2.211 10 10 DECERN C[C@](N)(Cc1ccc(O)c(O)c1)C(=O)OCc1ccccc1 ZINC000139012930 355874123 /nfs/dbraw/zinc/87/41/23/355874123.db2.gz XSSXILAKQLGCAQ-KRWDZBQOSA-N 0 0 301.342 2.101 10 10 DECERN CC(=O)C(=O)COc1ccc(-c2noc([C@H]3CCCO3)n2)cc1 ZINC000289722300 131410791 /nfs/dbraw/zinc/41/07/91/131410791.db2.gz SERRDHGFELFRSL-CQSZACIVSA-N 0 0 316.313 2.125 10 10 DECERN CC(=O)c1cc(F)cc(CN2CCN3CCCC[C@@H]3C2)c1O ZINC000175687580 402825450 /nfs/dbraw/zinc/82/54/50/402825450.db2.gz IDRMKBZHVIQUQR-OAHLLOKOSA-N 0 0 306.381 2.404 10 10 DECERN CCCCOC[C@H](O)CN1CCOc2cc(N(C)C)ccc21 ZINC000195204947 402836611 /nfs/dbraw/zinc/83/66/11/402836611.db2.gz NEYJTNOXCPQKSZ-OAHLLOKOSA-N 0 0 308.422 2.129 10 10 DECERN Cc1noc([C@H]2COCCN2Cc2cc(C)c(C)cc2O)n1 ZINC000188470929 225021401 /nfs/dbraw/zinc/02/14/01/225021401.db2.gz JRJPRRGEUGMDFM-CQSZACIVSA-N 0 0 303.362 2.274 10 10 DECERN C[C@H](NC(=O)c1cccc(O)c1O)c1cn(-c2ccccc2)nn1 ZINC000187190426 224979830 /nfs/dbraw/zinc/97/98/30/224979830.db2.gz CFMMNNOQJLNEEZ-NSHDSACASA-N 0 0 324.340 2.170 10 10 DECERN COC(=O)CCCCC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000188815001 522976885 /nfs/dbraw/zinc/97/68/85/522976885.db2.gz JBPQYXFIQATWQV-UHFFFAOYSA-N 0 0 310.369 2.241 10 10 DECERN CC[C@@H]1CN(Cc2cccc(Cl)c2[O-])CC[N@@H+]1C[C@@H](C)O ZINC000180085569 523451499 /nfs/dbraw/zinc/45/14/99/523451499.db2.gz NWADKQVKXVKZBU-TZMCWYRMSA-N 0 0 312.841 2.323 10 10 DECERN O=C([O-])C[N@H+](Cc1cc(Br)ccc1O)CC1CC1 ZINC000236420574 635986963 /nfs/dbraw/zinc/98/69/63/635986963.db2.gz ANPJFYDYAQOTOQ-UHFFFAOYSA-N 0 0 314.179 2.451 10 10 DECERN COC(=O)/C(C)=C/CN(C)c1cc(OC)c(OC)c(OC)c1 ZINC000748821195 638595818 /nfs/dbraw/zinc/59/58/18/638595818.db2.gz LBQATTVOUIFJBA-YRNVUSSQSA-N 0 0 309.362 2.268 10 10 DECERN O=C(/C=C/c1ccncn1)NCCCSc1nccs1 ZINC000181972104 648797875 /nfs/dbraw/zinc/79/78/75/648797875.db2.gz XWVNNIYFYRXDHS-NSCUHMNNSA-N 0 0 306.416 2.245 10 10 DECERN CC(C)(C)c1cc(O)c(O)c(CN2CCO[C@]3(CCOC3)C2)c1 ZINC000184276339 649250559 /nfs/dbraw/zinc/25/05/59/649250559.db2.gz APSHTCFRDSICCV-GOSISDBHSA-N 0 0 321.417 2.387 10 10 DECERN Cc1cc([N+](=O)[O-])ccc1/C=C1/N=C(C2=S=CC=C2)OC1=O ZINC000588436157 777181182 /nfs/dbraw/zinc/18/11/82/777181182.db2.gz GQCKXUVURHPMOY-XYOKQWHBSA-N 0 0 314.322 2.477 10 10 DECERN CC(C)(C)OC(=O)NCC[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000700758608 1086331429 /nfs/dbraw/zinc/33/14/29/1086331429.db2.gz BPQXYDWNTZMSKF-UHFFFAOYSA-N 0 0 302.321 2.285 10 10 DECERN CN(Cc1ccccc1O)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000246039620 530003314 /nfs/dbraw/zinc/00/33/14/530003314.db2.gz AJQNACSSWVWNQQ-NUEKZKHPSA-N 0 0 316.401 2.491 10 10 DECERN Cc1cnn(CCNC(=O)c2cc(C)n(-c3ccccn3)c2C)c1 ZINC000117815183 401885427 /nfs/dbraw/zinc/88/54/27/401885427.db2.gz PMRVUCOQFYDLLQ-UHFFFAOYSA-N 0 0 323.400 2.424 10 10 DECERN CN(Cc1ccccc1O)C(=O)[C@@H]1CC(=O)Nc2ccccc21 ZINC000136951273 401976208 /nfs/dbraw/zinc/97/62/08/401976208.db2.gz NBLVFYLODJSMBY-CQSZACIVSA-N 0 0 310.353 2.477 10 10 DECERN COC(=O)[C@@H]1CCCCN1Cc1cc(F)cc(C(C)=O)c1O ZINC000177239633 402384328 /nfs/dbraw/zinc/38/43/28/402384328.db2.gz WWEVARYVZXGPLV-AWEZNQCLSA-N 0 0 309.337 2.261 10 10 DECERN CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])CC2 ZINC000185995163 402395812 /nfs/dbraw/zinc/39/58/12/402395812.db2.gz OBUHWOUBEKKVOF-CMPLNLGQSA-N 0 0 304.369 2.351 10 10 DECERN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCCOC1 ZINC000171617792 402602115 /nfs/dbraw/zinc/60/21/15/402602115.db2.gz SBWCCKKGSIVRDH-HNNXBMFYSA-N 0 0 305.422 2.463 10 10 DECERN CCN(CC)c1ccc(CNC(=O)N[C@H](C)[C@@H](C)CO)cc1 ZINC000172607899 402666283 /nfs/dbraw/zinc/66/62/83/402666283.db2.gz DBCCKGFUYVUUBH-UONOGXRCSA-N 0 0 307.438 2.349 10 10 DECERN CNC(=O)c1ccc(NCc2ccc(N3CCCC3)cc2)nn1 ZINC000172711421 402671042 /nfs/dbraw/zinc/67/10/42/402671042.db2.gz UIKGSCXIJWFMOE-UHFFFAOYSA-N 0 0 311.389 2.049 10 10 DECERN O=C(Nc1ncn(C2CCCCC2)n1)c1cccc(O)c1O ZINC000193160575 402767829 /nfs/dbraw/zinc/76/78/29/402767829.db2.gz DSNSLEWIJOOIHE-UHFFFAOYSA-N 0 0 302.334 2.447 10 10 DECERN Cn1ncc2c1nc(NCc1ccc(N3CCCC3)cc1)nc2N ZINC000195186211 402835959 /nfs/dbraw/zinc/83/59/59/402835959.db2.gz BPLFJPXDUSWXTQ-UHFFFAOYSA-N 0 0 323.404 2.158 10 10 DECERN CN(C)c1noc(-c2ccc(NC(=O)C3=S=CC=C3)cc2)n1 ZINC000358576440 404767092 /nfs/dbraw/zinc/76/70/92/404767092.db2.gz JZOWYCBAZOTVRT-UHFFFAOYSA-N 0 0 314.370 2.019 10 10 DECERN CN1c2ccccc2C(=O)N2CCc3c4ccccc4[nH]c3[C@]12O ZINC000033831720 524034042 /nfs/dbraw/zinc/03/40/42/524034042.db2.gz WCLDCQVGZXKRKT-IBGZPJMESA-N 0 0 319.364 2.419 10 10 biogenic DECERN COc1ccc(N2CCN(C(=O)[C@@H]3CCCO[C@@H]3C)CC2)cc1 ZINC000190476322 524417623 /nfs/dbraw/zinc/41/76/23/524417623.db2.gz ZETCIRBVISNRFF-RHSMWYFYSA-N 0 0 318.417 2.159 10 10 DECERN C[C@@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)[C@H]1CCCO1 ZINC000125359075 525215470 /nfs/dbraw/zinc/21/54/70/525215470.db2.gz ANPADXQUYWBQPO-RHSMWYFYSA-N 0 0 315.417 2.430 10 10 DECERN Cn1cc([C@@H]2CCCN2C(=O)/C=C/c2ccc(O)c(O)c2)cn1 ZINC000181039751 527297503 /nfs/dbraw/zinc/29/75/03/527297503.db2.gz LZBLNTATQHVCGZ-DYLGSBMWSA-N 0 0 313.357 2.208 10 10 DECERN CC[C@@H]1CN(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])CCO1 ZINC000255680078 625623979 /nfs/dbraw/zinc/62/39/79/625623979.db2.gz ADJXIBOSDOGVAW-SCXUMTSISA-N 0 0 320.345 2.396 10 10 DECERN COc1ccc(N2CCN(C(=O)[C@@H]3CCOC[C@@H]3C)CC2)cc1 ZINC000193811449 625665358 /nfs/dbraw/zinc/66/53/58/625665358.db2.gz GWFAEGGCIUKVQO-WMLDXEAASA-N 0 0 318.417 2.016 10 10 DECERN Oc1ccc(Cl)cc1CN1CCO[C@@H](Cn2cccn2)C1 ZINC000122222335 684113530 /nfs/dbraw/zinc/11/35/30/684113530.db2.gz GYBDREFKDLLSLE-CQSZACIVSA-N 0 0 307.781 2.143 10 10 DECERN COc1ccc(O)c(CNC(=O)c2cn3ccnc3s2)c1 ZINC000188499264 684357588 /nfs/dbraw/zinc/35/75/88/684357588.db2.gz GXSAWLAKUJOKNP-UHFFFAOYSA-N 0 0 303.343 2.040 10 10 DECERN CN(Cc1c(O)cccc1Cl)CC(C)(C)S(C)(=O)=O ZINC000713908655 792247937 /nfs/dbraw/zinc/24/79/37/792247937.db2.gz UYWJDERIILUJJG-UHFFFAOYSA-N 0 0 305.827 2.301 10 10 DECERN CN1CCC[C@H]1C[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000715817580 792524417 /nfs/dbraw/zinc/52/44/17/792524417.db2.gz IKCKAURIOLNNDY-NSHDSACASA-N 0 0 317.202 2.478 10 10 DECERN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]CC[C@@]1(O)CCOC1 ZINC000404218211 802010049 /nfs/dbraw/zinc/01/00/49/802010049.db2.gz PROVQIZNFAXGJG-CYBMUJFWSA-N 0 0 306.189 2.330 10 10 DECERN CN1CCOC[C@H]1C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000700246575 1086313110 /nfs/dbraw/zinc/31/31/10/1086313110.db2.gz ZOQYKDYYCPGCKK-LLVKDONJSA-N 0 0 305.205 2.119 10 10 DECERN CN(C)c1ccc(CN(C)C(=O)N[C@@H]2C[C@@H]3OCCC[C@@H]23)cc1 ZINC000252039187 529779837 /nfs/dbraw/zinc/77/98/37/529779837.db2.gz ZCMIYUZULQSJAT-BBWFWOEESA-N 0 0 317.433 2.462 10 10 DECERN CCOC(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C ZINC000034235411 182730578 /nfs/dbraw/zinc/73/05/78/182730578.db2.gz YGUWRFUPGXSHNX-CYBMUJFWSA-N 0 0 308.378 2.268 10 10 DECERN CC(=O)C(=O)COc1ccc(-c2noc([C@@H]3CCCO3)n2)cc1 ZINC000289722287 131410420 /nfs/dbraw/zinc/41/04/20/131410420.db2.gz SERRDHGFELFRSL-AWEZNQCLSA-N 0 0 316.313 2.125 10 10 DECERN O=C(c1ccccc1)N1CCN(c2ccc3c(c2)CC(=O)N3)CC1 ZINC000062093550 134804970 /nfs/dbraw/zinc/80/49/70/134804970.db2.gz AUXHVROFAQHLGI-UHFFFAOYSA-N 0 0 321.380 2.144 10 10 DECERN Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1CC[C@@H](O)[C@]2(C)O ZINC000006072094 401730941 /nfs/dbraw/zinc/73/09/41/401730941.db2.gz RTKDBIDPGKCZJS-KZULUSFZSA-N 0 0 312.321 2.149 10 10 biogenic,in-vitro DECERN CCS(=O)(=O)CCN1CCCc2cc(OC(F)F)ccc21 ZINC000118394282 401897270 /nfs/dbraw/zinc/89/72/70/401897270.db2.gz ZRNMASOUDMRZPZ-UHFFFAOYSA-N 0 0 319.373 2.475 10 10 DECERN CCCN(CCC)c1ccc([C@@H]2NC(=O)[C@@H]3COCCN23)cc1 ZINC000093885008 402020897 /nfs/dbraw/zinc/02/08/97/402020897.db2.gz KZPVHQSRTAAUIL-DLBZAZTESA-N 0 0 317.433 2.142 10 10 DECERN CC(C)[C@H](C)NC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000054786560 402071913 /nfs/dbraw/zinc/07/19/13/402071913.db2.gz WAWBEIJRECLNDB-AWEZNQCLSA-N 0 0 305.422 2.367 10 10 DECERN CCNC(=O)N1CCN(Cc2cc(Cl)cc(C)c2O)CC1 ZINC000179621173 402596521 /nfs/dbraw/zinc/59/65/21/402596521.db2.gz WVZOQSMAOWDYMC-UHFFFAOYSA-N 0 0 311.813 2.201 10 10 DECERN Cc1noc([C@H]2COCCN2Cc2cc(Cl)ccc2O)n1 ZINC000188475779 225023256 /nfs/dbraw/zinc/02/32/56/225023256.db2.gz QYINICPMZURBFH-GFCCVEGCSA-N 0 0 309.753 2.311 10 10 DECERN CN(CC1(CO)CC1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000186954018 522595223 /nfs/dbraw/zinc/59/52/23/522595223.db2.gz ATJGGCRVEMLFIM-UHFFFAOYSA-N 0 0 317.433 2.201 10 10 DECERN CCn1cc([C@H]2CN(Cc3cccc(OC)c3O)CCO2)cn1 ZINC000191709659 523481978 /nfs/dbraw/zinc/48/19/78/523481978.db2.gz VBUKWQGLRUFUEZ-MRXNPFEDSA-N 0 0 317.389 2.191 10 10 DECERN CCN(CC)c1ccc(CN2C[C@H](OC)C[C@H]2C(=O)OC)cc1 ZINC000245788919 528298327 /nfs/dbraw/zinc/29/83/27/528298327.db2.gz VTMQNOMCZXEFOG-SJORKVTESA-N 0 0 320.433 2.295 10 10 DECERN CCN(CC)c1ccc(CN2C[C@@H](OC)C[C@H]2C(=O)OC)cc1 ZINC000245788912 528299077 /nfs/dbraw/zinc/29/90/77/528299077.db2.gz VTMQNOMCZXEFOG-IRXDYDNUSA-N 0 0 320.433 2.295 10 10 DECERN COc1cccc(CNC(=O)Nc2ccc3nccn3c2)c1O ZINC000738951606 637545370 /nfs/dbraw/zinc/54/53/70/637545370.db2.gz ZAYCDAHEFYILLK-UHFFFAOYSA-N 0 0 312.329 2.370 10 10 DECERN COc1ccc(O)c([C@@H](C)NC(=O)c2cnn3c2CCCC3)c1 ZINC000128467348 684171131 /nfs/dbraw/zinc/17/11/31/684171131.db2.gz BQPRFNHVLPCUAC-LLVKDONJSA-N 0 0 315.373 2.425 10 10 DECERN COc1ccc(N2CCN(C(=O)[C@H]3CCOC[C@@H]3C)CC2)cc1 ZINC000193811421 685050254 /nfs/dbraw/zinc/05/02/54/685050254.db2.gz GWFAEGGCIUKVQO-YOEHRIQHSA-N 0 0 318.417 2.016 10 10 DECERN CCN1CC[C@H]1C[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000715790522 792511806 /nfs/dbraw/zinc/51/18/06/792511806.db2.gz BAWAWVCBMHMKGI-NSHDSACASA-N 0 0 317.202 2.478 10 10 DECERN CN(C)c1ccc(CNC(=O)N(C)C[C@@H]2CCCO2)cc1F ZINC000077020791 529781198 /nfs/dbraw/zinc/78/11/98/529781198.db2.gz RRBWBIQMPQNXNM-ZDUSSCGKSA-N 0 0 309.385 2.212 10 10 DECERN Cn1cc(/C=C2\SC(=S)N(CCO)C2=O)c2ccccc21 ZINC000016904910 182063870 /nfs/dbraw/zinc/06/38/70/182063870.db2.gz UPGMSPGUZJTNFR-JYRVWZFOSA-N 0 0 318.423 2.372 10 10 DECERN COC(=O)CCCN1C(=O)/C(=C/c2ccncc2)SC1=S ZINC000040888561 183146087 /nfs/dbraw/zinc/14/60/87/183146087.db2.gz NHUNTIUAVURFPZ-LUAWRHEFSA-N 0 0 322.411 2.236 10 10 DECERN CN1CCO[C@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000105470908 194105934 /nfs/dbraw/zinc/10/59/34/194105934.db2.gz BSJQSCHWJZODEE-LLVKDONJSA-N 0 0 305.205 2.119 10 10 DECERN Cc1cc(O)c(CN2Cc3ccccc3C[C@H]2C(N)=O)cc1C ZINC000126346963 401690288 /nfs/dbraw/zinc/69/02/88/401690288.db2.gz CSEQUKKQHCGTCP-KRWDZBQOSA-N 0 0 310.397 2.421 10 10 DECERN COc1cc2oc3cc(O)c(O)cc3c(=O)c2c(O)c1OC ZINC000014648876 401812968 /nfs/dbraw/zinc/81/29/68/401812968.db2.gz TZKSXJLHDJMYHG-UHFFFAOYSA-N 0 0 304.254 2.080 10 10 DECERN Cc1noc([C@H](C)N2CC[NH+](Cc3cc(C)ccc3O)CC2)n1 ZINC000121323483 402028231 /nfs/dbraw/zinc/02/82/31/402028231.db2.gz XRFSYRUWARHJQF-ZDUSSCGKSA-N 0 0 316.405 2.271 10 10 DECERN COCCN(C[C@H](O)C(F)(F)F)c1ccc(OC)c(OC)c1 ZINC000121628119 402047168 /nfs/dbraw/zinc/04/71/68/402047168.db2.gz KWGJKANELMKQPS-ZDUSSCGKSA-N 0 0 323.311 2.080 10 10 DECERN C[C@@H](NC(=O)NCc1ccc2c(c1)CCCN2C)[C@H]1CCCO1 ZINC000069719949 402240679 /nfs/dbraw/zinc/24/06/79/402240679.db2.gz GWNFIJVPTJZMME-CXAGYDPISA-N 0 0 317.433 2.436 10 10 DECERN Cc1nc([C@@H]2CN(Cc3cc(C)c(C)cc3O)CCO2)n[nH]1 ZINC000180109287 402607612 /nfs/dbraw/zinc/60/76/12/402607612.db2.gz SCGULRXIANCMQR-HNNXBMFYSA-N 0 0 302.378 2.009 10 10 DECERN C[C@H]1CN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CCS1 ZINC000171686788 402609389 /nfs/dbraw/zinc/60/93/89/402609389.db2.gz YSVWCVLLUSLQDA-AWEZNQCLSA-N 0 0 321.490 2.148 10 10 DECERN O=C(NCc1c(O)ccc2c1CCCC2)N[C@@H]1CCCOC1 ZINC000173188566 402687456 /nfs/dbraw/zinc/68/74/56/402687456.db2.gz ZQBNLOINFSAMQI-CYBMUJFWSA-N 0 0 304.390 2.249 10 10 DECERN COC(=O)c1coc(C(=O)NCc2ccc(N(C)C)c(F)c2)c1 ZINC000184458833 402845275 /nfs/dbraw/zinc/84/52/75/402845275.db2.gz SNVAHGAFGYGHBP-UHFFFAOYSA-N 0 0 320.320 2.201 10 10 DECERN Oc1cc(Br)cc(I)c1O ZINC000575686292 406818612 /nfs/dbraw/zinc/81/86/12/406818612.db2.gz LEXCUIMMOMZRKO-UHFFFAOYSA-N 0 0 314.904 2.465 10 10 DECERN O=C1/C(=C\c2cccs2)SC(=S)N1N1CCOCC1 ZINC000002241487 304618996 /nfs/dbraw/zinc/61/89/96/304618996.db2.gz FJVNTOBZEDSFDT-CSKARUKUSA-N 0 0 312.441 2.197 10 10 DECERN CCCN(Cc1ccccc1O)c1nn2c(nccc2=O)s1 ZINC000154409451 521691176 /nfs/dbraw/zinc/69/11/76/521691176.db2.gz PIKSIBSBHXKJEQ-UHFFFAOYSA-N 0 0 316.386 2.273 10 10 DECERN CCc1nc([C@@H]2CN(Cc3ccc(N(C)C)cc3)CCO2)n[nH]1 ZINC000129119434 522139659 /nfs/dbraw/zinc/13/96/59/522139659.db2.gz CADIPRFEGPTBGM-HNNXBMFYSA-N 0 0 315.421 2.007 10 10 DECERN COC[C@@H](C)C(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000103383633 522171642 /nfs/dbraw/zinc/17/16/42/522171642.db2.gz ZTCUSRDAEHWVCI-CQSZACIVSA-N 0 0 306.406 2.016 10 10 DECERN CCN(CC)c1ccc(CN2CCC[C@H](O)[C@H]2C(=O)OC)cc1 ZINC000253293864 528298403 /nfs/dbraw/zinc/29/84/03/528298403.db2.gz AZLKWXLVKDVSEU-IRXDYDNUSA-N 0 0 320.433 2.031 10 10 DECERN C[C@H]1COCC[C@@H]1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000194182038 625694441 /nfs/dbraw/zinc/69/44/41/625694441.db2.gz MLISLGBITREONY-BBRMVZONSA-N 0 0 302.418 2.358 10 10 DECERN CCOc1cccnc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000186396998 634201514 /nfs/dbraw/zinc/20/15/14/634201514.db2.gz KVTPDLIIJHYGKK-LLVKDONJSA-N 0 0 316.357 2.253 10 10 DECERN O=C(NCc1c(O)ccc2c1CCCC2)c1cn2cccnc2n1 ZINC000743718379 638169907 /nfs/dbraw/zinc/16/99/07/638169907.db2.gz NWPJZQUHMUYYPH-UHFFFAOYSA-N 0 0 322.368 2.244 10 10 DECERN CN(C)c1ccc(CNC(=O)[C@H]2CCCC23OCCO3)cc1F ZINC000806685556 645863002 /nfs/dbraw/zinc/86/30/02/645863002.db2.gz UWIQJRPPUSZFPD-CYBMUJFWSA-N 0 0 322.380 2.051 10 10 DECERN COc1ccc(N2CCN(C(=O)CCCSC)CC2)cc1 ZINC000172406142 646736478 /nfs/dbraw/zinc/73/64/78/646736478.db2.gz ITBDSXXEYCZXGP-UHFFFAOYSA-N 0 0 308.447 2.487 10 10 DECERN COc1ccc(O)c(CNS(=O)(=O)/C=C/c2ccccc2)c1 ZINC000119856859 684088197 /nfs/dbraw/zinc/08/81/97/684088197.db2.gz IWAUBMKTOFZFRV-MDZDMXLPSA-N 0 0 319.382 2.491 10 10 DECERN CC(=O)c1cnc(NC(=O)C=Cc2ccc(O)c(O)c2)s1 ZINC000588407996 777093176 /nfs/dbraw/zinc/09/31/76/777093176.db2.gz NNORYKLAWMOZRZ-HYXAFXHYSA-N 0 0 304.327 2.409 10 10 DECERN Nc1ccc(OC2CCN(C(=O)CC3CCOCC3)CC2)cc1 ZINC000224889340 356275825 /nfs/dbraw/zinc/27/58/25/356275825.db2.gz YGPRDHQDQDTIJL-UHFFFAOYSA-N 0 0 318.417 2.455 10 10 DECERN CN(C)c1ccc(/C=C2\SC(=S)N(CCCO)C2=O)cc1 ZINC000016904799 182063740 /nfs/dbraw/zinc/06/37/40/182063740.db2.gz CMGZYQXTPNWDMT-RAXLEYEMSA-N 0 0 322.455 2.336 10 10 DECERN [NH3+]C1(CC(=O)[O-])CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000040442947 134711949 /nfs/dbraw/zinc/71/19/49/134711949.db2.gz FIPHJOCTNMZCMP-UHFFFAOYSA-N 0 0 318.295 2.358 10 10 DECERN CSCCC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000068535849 134842328 /nfs/dbraw/zinc/84/23/28/134842328.db2.gz VRFMERDWICSIIN-UHFFFAOYSA-N 0 0 308.447 2.235 10 10 DECERN CN(C)c1ccc(CN(C)C(=O)c2ccc3nnn(C)c3c2)cc1 ZINC000184782306 402299348 /nfs/dbraw/zinc/29/93/48/402299348.db2.gz JVICSMVLQKBXKZ-UHFFFAOYSA-N 0 0 323.400 2.307 10 10 DECERN CC(C)C[C@H](CO)N(C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000185624630 402366077 /nfs/dbraw/zinc/36/60/77/402366077.db2.gz IOUPFTJLPHFKHP-MRXNPFEDSA-N 0 0 307.438 2.301 10 10 DECERN CN(C)c1ccc2c(c1)OCCN2Cc1nnc(C2CC2)n1C ZINC000163188784 402444203 /nfs/dbraw/zinc/44/42/03/402444203.db2.gz PKAJGGTYJHCBMI-UHFFFAOYSA-N 0 0 313.405 2.158 10 10 DECERN C[C@@H]1COCC[C@@H]1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000194530077 288351689 /nfs/dbraw/zinc/35/16/89/288351689.db2.gz LZNVEQMARNYWBE-OCCSQVGLSA-N 0 0 304.390 2.151 10 10 DECERN Nc1ccc(N2CCC3(CC2)C(=O)NCN3c2ccccc2)cc1 ZINC000584614997 337372683 /nfs/dbraw/zinc/37/26/83/337372683.db2.gz HBPBMBJANUNRQI-UHFFFAOYSA-N 0 0 322.412 2.202 10 10 DECERN COc1ccc(N2CCC(NC(=O)[C@H]3CC[C@@H](C)O3)CC2)cc1 ZINC000151655134 646994519 /nfs/dbraw/zinc/99/45/19/646994519.db2.gz YZXIHCLNTLIKHC-CXAGYDPISA-N 0 0 318.417 2.348 10 10 DECERN CCCN(Cc1ccccc1O)C(=O)c1c[nH]c(=O)cc1C ZINC000120581518 684097689 /nfs/dbraw/zinc/09/76/89/684097689.db2.gz YYURWEUNTWKMRP-UHFFFAOYSA-N 0 0 300.358 2.441 10 10 DECERN CNC(=O)Cc1nc(CN(C)c2ccc(OC)c(F)c2)cs1 ZINC000121716963 684108506 /nfs/dbraw/zinc/10/85/06/684108506.db2.gz JMNOAGKVCHEAMM-UHFFFAOYSA-N 0 0 323.393 2.216 10 10 DECERN COC(=O)CN(Cc1cncnc1)Cc1cc(Cl)ccc1O ZINC000123214847 684123186 /nfs/dbraw/zinc/12/31/86/684123186.db2.gz LELHHEVCPAZKES-UHFFFAOYSA-N 0 0 321.764 2.011 10 10 DECERN COc1cccc(CNC(=O)NC[C@@H]2CCC(C)(C)O2)c1O ZINC000188199098 684351051 /nfs/dbraw/zinc/35/10/51/684351051.db2.gz LITCDTJCHWNZBF-LBPRGKRZSA-N 0 0 308.378 2.158 10 10 DECERN Oc1cccc(Br)c1CNCc1csnn1 ZINC000706883633 1082292137 /nfs/dbraw/zinc/29/21/37/1082292137.db2.gz SAOYYLHUGXGYNC-UHFFFAOYSA-N 0 0 300.181 2.296 10 10 DECERN COc1cccc(CN2CCO[C@H](c3nccs3)C2)c1O ZINC000092831740 185344595 /nfs/dbraw/zinc/34/45/95/185344595.db2.gz UFYOERQITHGVHK-ZDUSSCGKSA-N 0 0 306.387 2.431 10 10 DECERN O=C(C1CCC1)N1CCN(c2ccc3c(c2)CCC(=O)N3)CC1 ZINC000062575857 134810990 /nfs/dbraw/zinc/81/09/90/134810990.db2.gz GCLWTFCYTFCWGH-UHFFFAOYSA-N 0 0 313.401 2.020 10 10 DECERN CCCC[C@@H](NC(=O)NCC)C(=O)N(C)Cc1ccccc1O ZINC000155506099 402258895 /nfs/dbraw/zinc/25/88/95/402258895.db2.gz MYXKVNAEPPWLCA-CQSZACIVSA-N 0 0 321.421 2.229 10 10 DECERN Cc1ccc(C(=O)Nc2c[nH]nc2-c2ccccn2)c(O)c1O ZINC000182827975 402719776 /nfs/dbraw/zinc/71/97/76/402719776.db2.gz IAYMHUDPTQBGBS-UHFFFAOYSA-N 0 0 310.313 2.444 10 10 DECERN COC(=O)CN(Cc1cocn1)Cc1cc(Cl)ccc1O ZINC000191941987 402700364 /nfs/dbraw/zinc/70/03/64/402700364.db2.gz FJZRBBWBAPWOCS-UHFFFAOYSA-N 0 0 310.737 2.209 10 10 DECERN CCOc1ccc(O)c(CN2CCOC[C@@H]2c2nc(C)no2)c1 ZINC000188470055 225021387 /nfs/dbraw/zinc/02/13/87/225021387.db2.gz OGMFANNRDQWJGS-CQSZACIVSA-N 0 0 319.361 2.056 10 10 DECERN Cc1cc(C(=O)NCC(F)(F)CN)c(C)n1-c1ccccc1 ZINC000190222379 225079402 /nfs/dbraw/zinc/07/94/02/225079402.db2.gz XKDQMIJEYRIEJR-UHFFFAOYSA-N 0 0 307.344 2.418 10 10 DECERN O=C(c1cccc(O)c1O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000193169768 225154118 /nfs/dbraw/zinc/15/41/18/225154118.db2.gz DFEDRIBWYOXRMI-AAEUAGOBSA-N 0 0 319.382 2.007 10 10 DECERN [NH3+][C@@H](CO)c1cc(Cl)c(Cl)c(Br)c1[O-] ZINC000072199774 295295272 /nfs/dbraw/zinc/29/52/72/295295272.db2.gz QIPXZSUYMAPRSQ-YFKPBYRVSA-N 0 0 300.967 2.454 10 10 DECERN CC1(CNC(=O)NCc2c(O)ccc3c2CCCC3)COC1 ZINC000176704791 520719052 /nfs/dbraw/zinc/71/90/52/520719052.db2.gz LMXJRHKTJSRVQR-UHFFFAOYSA-N 0 0 304.390 2.107 10 10 DECERN CO[C@@H]1C[C@H](c2nc(C)no2)N(Cc2cc(F)ccc2O)C1 ZINC000190143437 523776808 /nfs/dbraw/zinc/77/68/08/523776808.db2.gz TVQOVOKPTLPVOO-CHWSQXEVSA-N 0 0 307.325 2.185 10 10 DECERN Cc1cc(C)n(C[C@H]2CN(Cc3cc(F)ccc3O)CCO2)n1 ZINC000180118005 524535476 /nfs/dbraw/zinc/53/54/76/524535476.db2.gz DHSKCIRKGSCVBY-MRXNPFEDSA-N 0 0 319.380 2.246 10 10 DECERN CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCCCC(=O)N1 ZINC000194324062 528146931 /nfs/dbraw/zinc/14/69/31/528146931.db2.gz KAQNOHZDFLBTOJ-AWEZNQCLSA-N 0 0 304.390 2.190 10 10 DECERN CC(C)c1nnc2n1CCN(C(=O)c1cccc(O)c1O)[C@@H]2C ZINC000375532413 528471477 /nfs/dbraw/zinc/47/14/77/528471477.db2.gz GCGYQBUONWFPAI-SNVBAGLBSA-N 0 0 316.361 2.030 10 10 DECERN CCCn1nccc1NC(=O)NCCc1ccc(O)c(O)c1 ZINC000172043621 646719792 /nfs/dbraw/zinc/71/97/92/646719792.db2.gz IQYOMNUOGRXCHU-UHFFFAOYSA-N 0 0 304.350 2.069 10 10 DECERN Cc1ccc(C(=O)NCCOc2ccc(C#N)cc2)c(O)c1O ZINC000182509083 648927317 /nfs/dbraw/zinc/92/73/17/648927317.db2.gz WQKMJFQALXYFNE-UHFFFAOYSA-N 0 0 312.325 2.087 10 10 DECERN Cc1cccc(CNCc2nn(C)cc2Br)c1O ZINC000393327598 685451740 /nfs/dbraw/zinc/45/17/40/685451740.db2.gz UUWPZNFNAXOUDY-UHFFFAOYSA-N 0 0 310.195 2.486 10 10 DECERN COC(OC)[C@H](C)[NH2+]Cc1cccc(Br)c1[O-] ZINC000079628415 683974315 /nfs/dbraw/zinc/97/43/15/683974315.db2.gz QZMFRYKIEFRBEN-QMMMGPOBSA-N 0 0 304.184 2.252 10 10 DECERN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CCCc3n[nH]cc32)c1 ZINC000136747689 684241275 /nfs/dbraw/zinc/24/12/75/684241275.db2.gz WHICTBHCTIGBID-ZYHUDNBSSA-N 0 0 315.373 2.421 10 10 DECERN CCOCc1cc(CNCc2cc(C(N)=O)co2)ccc1OC ZINC000189400051 684380005 /nfs/dbraw/zinc/38/00/05/684380005.db2.gz CUBQLVYALCWORC-UHFFFAOYSA-N 0 0 318.373 2.213 10 10 DECERN [O-]c1c(Br)cccc1C[NH2+]CC[C@H](O)C(F)F ZINC000716764270 793006746 /nfs/dbraw/zinc/00/67/46/793006746.db2.gz JRCPKDHXVISWHV-VIFPVBQESA-N 0 0 310.138 2.260 10 10 DECERN CC(C)[N@H+](CC(=O)[O-])Cc1ccc(Br)cc1O ZINC000691414222 976355165 /nfs/dbraw/zinc/35/51/65/976355165.db2.gz NBEDTRHGAWMZQR-UHFFFAOYSA-N 0 0 302.168 2.450 10 10 DECERN CCCN(Cc1ccccc1O)C(=O)NCc1noc(C)n1 ZINC000074611127 185003231 /nfs/dbraw/zinc/00/32/31/185003231.db2.gz RHBAUQRILKDNSK-UHFFFAOYSA-N 0 0 304.350 2.205 10 10 DECERN CN(C)c1ccc(CNC(=O)N[C@@H]2C[C@H]3OCCC[C@@H]23)cc1F ZINC000251770623 529782010 /nfs/dbraw/zinc/78/20/10/529782010.db2.gz KVFOXDSXNVFMHO-JGGQBBKZSA-N 0 0 321.396 2.258 10 10 DECERN C[C@@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)[C@H]1CCCO1 ZINC000045683624 354260590 /nfs/dbraw/zinc/26/05/90/354260590.db2.gz XNOXTSIYVYLHKA-CZUORRHYSA-N 0 0 305.422 2.462 10 10 DECERN CCCC(=O)N1CCN(c2ccc3c(c2)CCC(=O)N3C)CC1 ZINC000062093208 134804939 /nfs/dbraw/zinc/80/49/39/134804939.db2.gz NNGSUOBKYDSGRF-UHFFFAOYSA-N 0 0 315.417 2.044 10 10 DECERN COc1ccc(O)c(CNC(=O)N[C@@H]2COc3ccccc32)c1 ZINC000114592815 401803705 /nfs/dbraw/zinc/80/37/05/401803705.db2.gz SXTACOIVEOXDGB-CQSZACIVSA-N 0 0 314.341 2.334 10 10 DECERN COC(=O)/C=C/c1ccc(N2CCC(C)(O)CC2)c([N+](=O)[O-])c1 ZINC000177071260 402367090 /nfs/dbraw/zinc/36/70/90/402367090.db2.gz MHTITDCTTZCMHP-GQCTYLIASA-N 0 0 320.345 2.132 10 10 DECERN O=C(N[C@H]1CCCC[C@H]1n1cccn1)c1cccc(O)c1O ZINC000187160503 402485748 /nfs/dbraw/zinc/48/57/48/402485748.db2.gz NKUHHOSHAKJIMU-QWHCGFSZSA-N 0 0 301.346 2.208 10 10 DECERN COc1cccc(CNC(=O)N[C@@H]2COc3ccccc32)c1O ZINC000174441617 402740918 /nfs/dbraw/zinc/74/09/18/402740918.db2.gz RFSHFBOLOSJFKO-CYBMUJFWSA-N 0 0 314.341 2.334 10 10 DECERN C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000282233551 403134774 /nfs/dbraw/zinc/13/47/74/403134774.db2.gz FPUVMRRAENUHCJ-RDDDGLTNSA-N 0 0 303.189 2.456 10 10 DECERN C[N@+]([O-])(C(=O)Nc1c[nH]ccc1=S)c1ccc([N+](=O)[O-])cc1 ZINC000584652073 337381028 /nfs/dbraw/zinc/38/10/28/337381028.db2.gz XFCFCGGPHMHVLR-QGZVFWFLSA-N 0 0 320.330 2.425 10 10 DECERN CN1CCCc2cc(CNC(=O)/C=C/c3ccncn3)ccc21 ZINC000181925305 523859789 /nfs/dbraw/zinc/85/97/89/523859789.db2.gz CBXZPRCTAVSUDE-FNORWQNLSA-N 0 0 308.385 2.189 10 10 DECERN CCCCC(=O)N1CCN(c2ccc3c(c2)CC(=O)N3)CC1 ZINC000062093538 534933282 /nfs/dbraw/zinc/93/32/82/534933282.db2.gz DOVMPKTYYMTKIJ-UHFFFAOYSA-N 0 0 301.390 2.020 10 10 DECERN C[C@@H]1COCC[C@H]1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000194182054 625694929 /nfs/dbraw/zinc/69/49/29/625694929.db2.gz MLISLGBITREONY-CZUORRHYSA-N 0 0 302.418 2.358 10 10 DECERN Cc1ccc(C(=O)NCc2nccn2CC(C)C)c(O)c1O ZINC000182500838 625263503 /nfs/dbraw/zinc/26/35/03/625263503.db2.gz KYGRCJAZNNJUET-UHFFFAOYSA-N 0 0 303.362 2.189 10 10 DECERN CCc1onc(C)c1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000186408480 634217989 /nfs/dbraw/zinc/21/79/89/634217989.db2.gz IBCDZXOSULXFNF-SECBINFHSA-N 0 0 304.346 2.318 10 10 DECERN Cc1cc(O)c(CN2CCS(=O)(=O)[C@H](C)C2)cc1C(C)C ZINC000151604262 646977496 /nfs/dbraw/zinc/97/74/96/646977496.db2.gz GETTTZFPRHEMPP-CYBMUJFWSA-N 0 0 311.447 2.443 10 10 DECERN C[C@H](NC(=O)NCCCSc1nccs1)[C@H]1CCCO1 ZINC000152379163 647148986 /nfs/dbraw/zinc/14/89/86/647148986.db2.gz LIOTZSPPCQASBS-WDEREUQCSA-N 0 0 315.464 2.492 10 10 DECERN COc1ccc(O)c([C@H](C)NCc2nnc(C3CC3)n2C)c1 ZINC000182321806 648873376 /nfs/dbraw/zinc/87/33/76/648873376.db2.gz UKOUQCNJDRWZGN-JTQLQIEISA-N 0 0 302.378 2.258 10 10 DECERN CC(=O)N(C)c1cccc(NC(=O)c2cccc(O)c2O)c1 ZINC000193112227 685032562 /nfs/dbraw/zinc/03/25/62/685032562.db2.gz VTPFQHGUHQQDCZ-UHFFFAOYSA-N 0 0 300.314 2.333 10 10 DECERN O=C(/C=C\c1ccnc(Cl)c1)NCc1ccc(O)c(O)c1 ZINC000588401420 777071848 /nfs/dbraw/zinc/07/18/48/777071848.db2.gz SYWFLQWNOWQBJE-RQOWECAXSA-N 0 0 304.733 2.476 10 10 DECERN CC(C)(C)OC(=O)N1C[C@@H]([NH2+]Cc2cccc(F)c2[O-])CO1 ZINC000722500891 778743580 /nfs/dbraw/zinc/74/35/80/778743580.db2.gz MCXYBXCICOURRU-LLVKDONJSA-N 0 0 312.341 2.172 10 10 DECERN CCC(C)(CC)NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000094136353 193346711 /nfs/dbraw/zinc/34/67/11/193346711.db2.gz PXHLNCROPXYTQZ-UHFFFAOYSA-N 0 0 314.407 2.072 10 10 DECERN CCOC(=O)CCN1C(=O)/C(=C/c2ccccn2)SC1=S ZINC000040888590 183146279 /nfs/dbraw/zinc/14/62/79/183146279.db2.gz DUPGTCCPFBBVHM-LUAWRHEFSA-N 0 0 322.411 2.236 10 10 DECERN Cc1cnn(CCNC(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000118080902 401890881 /nfs/dbraw/zinc/89/08/81/401890881.db2.gz VZNJYWCXKOSXBL-UHFFFAOYSA-N 0 0 315.421 2.099 10 10 DECERN Oc1ccc(F)cc1C[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000180092214 402606909 /nfs/dbraw/zinc/60/69/09/402606909.db2.gz ITFDCVRSEKHGER-UHFFFAOYSA-N 0 0 302.353 2.034 10 10 DECERN CO[C@H]1C[C@@H](c2nc(C)no2)N(Cc2cc(C)ccc2O)C1 ZINC000248802466 402608950 /nfs/dbraw/zinc/60/89/50/402608950.db2.gz AJIVHYKBGLEJGW-KBPBESRZSA-N 0 0 303.362 2.354 10 10 DECERN COc1ccc(O)c([C@@H](C)Nc2cnn(C)c(=O)c2Cl)c1 ZINC000301198661 336294547 /nfs/dbraw/zinc/29/45/47/336294547.db2.gz ONNFRHXZQGLAAG-MRVPVSSYSA-N 0 0 309.753 2.321 10 10 DECERN CCc1nc([C@H]2CN(Cc3cc(C)c(C)cc3O)CCO2)n[nH]1 ZINC000129184318 522140349 /nfs/dbraw/zinc/14/03/49/522140349.db2.gz MFWKWPLYNPYMEX-OAHLLOKOSA-N 0 0 316.405 2.263 10 10 DECERN C[C@@H]1CCOCCN1C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000367657362 524534411 /nfs/dbraw/zinc/53/44/11/524534411.db2.gz HUJUGEJMHHRNOH-OAHLLOKOSA-N 0 0 315.417 2.383 10 10 DECERN Nc1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 ZINC000160379855 527493904 /nfs/dbraw/zinc/49/39/04/527493904.db2.gz JNDGECGSDOHPDM-AWEZNQCLSA-N 0 0 309.369 2.256 10 10 DECERN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)c1cccc(O)c1O ZINC000193131724 528331182 /nfs/dbraw/zinc/33/11/82/528331182.db2.gz VKGRJCXBGRXURD-NSHDSACASA-N 0 0 316.361 2.078 10 10 DECERN CC[C@H]1CN(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])CCO1 ZINC000255680082 625624114 /nfs/dbraw/zinc/62/41/14/625624114.db2.gz ADJXIBOSDOGVAW-VGVVRCBHSA-N 0 0 320.345 2.396 10 10 DECERN O=C(Nc1cccc(N2CCOCC2)c1)c1ccc(O)cc1O ZINC000727996435 638746946 /nfs/dbraw/zinc/74/69/46/638746946.db2.gz UCRXLMUVRXDUSU-UHFFFAOYSA-N 0 0 314.341 2.187 10 10 DECERN CC(=O)C(=O)COc1ccccc1C(=O)NCc1ccccc1 ZINC000808013993 646020898 /nfs/dbraw/zinc/02/08/98/646020898.db2.gz VDACQKSHCGKZBR-UHFFFAOYSA-N 0 0 311.337 2.154 10 10 DECERN CCCn1cc(CN(C)c2ccc(OCC(=O)OC)cc2)cn1 ZINC000183227106 649048862 /nfs/dbraw/zinc/04/88/62/649048862.db2.gz BTOCZTMJOISYCT-UHFFFAOYSA-N 0 0 317.389 2.481 10 10 DECERN C[C@@H]1CC[C@@H](C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)O1 ZINC000124981898 684140779 /nfs/dbraw/zinc/14/07/79/684140779.db2.gz ULWJITABVDVRQA-PBHICJAKSA-N 0 0 318.417 2.049 10 10 DECERN CCN(CC)c1ccc(CNC(=O)NCC2(CCO)CC2)cc1 ZINC000190349466 684403874 /nfs/dbraw/zinc/40/38/74/684403874.db2.gz KEGOOXCKNYTMOR-UHFFFAOYSA-N 0 0 319.449 2.495 10 10 DECERN Cc1csc(C)c1S(=O)(=O)NCCc1ccc(N)cc1 ZINC000725116087 777587453 /nfs/dbraw/zinc/58/74/53/777587453.db2.gz APRJMIYBYHQRNW-UHFFFAOYSA-N 0 0 310.444 2.468 10 10 DECERN C[C@]1(C(=O)[O-])CC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000691414201 976356121 /nfs/dbraw/zinc/35/61/21/976356121.db2.gz MWCRBHMHCBNLKQ-ZDUSSCGKSA-N 0 0 314.179 2.451 10 10 DECERN CC1=NN(c2nc(C)cc(C)n2)C(=O)C1=CNCc1ccccc1 ZINC000017055786 182073313 /nfs/dbraw/zinc/07/33/13/182073313.db2.gz QMWJYIGRKXBBPN-LFIBNONCSA-N 0 0 321.384 2.490 10 10 DECERN C[C@H](NC(=O)NCc1ccc2c(c1)CCCN2C)[C@@H]1CCCO1 ZINC000058558781 402101848 /nfs/dbraw/zinc/10/18/48/402101848.db2.gz GWNFIJVPTJZMME-GUYCJALGSA-N 0 0 317.433 2.436 10 10 DECERN COC[C@H](C)C(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000103383631 522544807 /nfs/dbraw/zinc/54/48/07/522544807.db2.gz ZTCUSRDAEHWVCI-AWEZNQCLSA-N 0 0 306.406 2.016 10 10 DECERN COc1ccc(N2CCN(C(=O)[C@@H]3CCCO[C@H]3C)CC2)cc1 ZINC000190476342 524417800 /nfs/dbraw/zinc/41/78/00/524417800.db2.gz ZETCIRBVISNRFF-WMLDXEAASA-N 0 0 318.417 2.159 10 10 DECERN COc1cccc(CN2C[C@H](OC)C[C@@H]2c2nc(C)no2)c1O ZINC000190151975 525957773 /nfs/dbraw/zinc/95/77/73/525957773.db2.gz KHZCVBFCGBPDFC-CHWSQXEVSA-N 0 0 319.361 2.054 10 10 DECERN Cc1noc([C@@H](C)N2CCN(Cc3cc(F)ccc3O)CC2)n1 ZINC000180106018 526644125 /nfs/dbraw/zinc/64/41/25/526644125.db2.gz KXAWXIGUHIPLTK-LLVKDONJSA-N 0 0 320.368 2.102 10 10 DECERN Nc1ccc(CC(=O)N2CCO[C@H](c3cccs3)C2)cc1 ZINC000237894963 527475236 /nfs/dbraw/zinc/47/52/36/527475236.db2.gz KMVIVDVAIMCSBA-AWEZNQCLSA-N 0 0 302.399 2.473 10 10 DECERN CC(C)(C)c1nnsc1C(=O)NCc1ccc(O)c(O)c1 ZINC000194368341 625709729 /nfs/dbraw/zinc/70/97/29/625709729.db2.gz PPEYYBISSSDSQL-UHFFFAOYSA-N 0 0 307.375 2.177 10 10 DECERN COc1cccc(C(=O)NCCc2ccc(O)c(O)c2)c1F ZINC000122449826 684115715 /nfs/dbraw/zinc/11/57/15/684115715.db2.gz JXMMHNJRDPGKKY-UHFFFAOYSA-N 0 0 305.305 2.218 10 10 DECERN CCN(CC)c1ccc(CNc2cncc(OCCO)n2)cc1 ZINC000189212618 684375413 /nfs/dbraw/zinc/37/54/13/684375413.db2.gz AASHMEUBHVCBLM-UHFFFAOYSA-N 0 0 316.405 2.306 10 10 DECERN COC(=O)[C@@H]1CCCN(Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000079411493 185169957 /nfs/dbraw/zinc/16/99/57/185169957.db2.gz PSEXUXGJCWVFJC-LLVKDONJSA-N 0 0 309.337 2.119 10 10 DECERN CC[C@H](NCC(=O)OC)c1cc(Br)ccc1O ZINC000019885500 182161018 /nfs/dbraw/zinc/16/10/18/182161018.db2.gz ISMUNVLBGQEXMX-JTQLQIEISA-N 0 0 302.168 2.368 10 10 DECERN CCc1nnc([C@H]2CN(Cc3cc(Cl)ccc3O)CCO2)[nH]1 ZINC000129083272 401798114 /nfs/dbraw/zinc/79/81/14/401798114.db2.gz SOISQZYGTJISGU-CYBMUJFWSA-N 0 0 322.796 2.300 10 10 DECERN COC[C@](C)(CCO)[NH2+]Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000085902957 401919798 /nfs/dbraw/zinc/91/97/98/401919798.db2.gz PVNNPCLOWOXGJO-HNNXBMFYSA-N 0 0 315.797 2.125 10 10 DECERN CC(C)[C@@H](O)CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000154014401 402187125 /nfs/dbraw/zinc/18/71/25/402187125.db2.gz SBTQROWUNLBEKV-WBVHZDCISA-N 0 0 321.417 2.307 10 10 DECERN CCCCOC[C@@H](O)CN1CCOc2cc(N(C)C)ccc21 ZINC000195204956 402836445 /nfs/dbraw/zinc/83/64/45/402836445.db2.gz NEYJTNOXCPQKSZ-HNNXBMFYSA-N 0 0 308.422 2.129 10 10 DECERN C[C@H](Nc1cncc(OCCO)n1)c1ccc(N(C)C)cc1 ZINC000302543749 403711757 /nfs/dbraw/zinc/71/17/57/403711757.db2.gz OLNPAXWNULLMND-LBPRGKRZSA-N 0 0 302.378 2.087 10 10 DECERN O=C(c1cccc(O)c1O)N1CCOc2cccc(F)c2C1 ZINC000367304167 405004457 /nfs/dbraw/zinc/00/44/57/405004457.db2.gz ANOOTGUSLAKRGQ-UHFFFAOYSA-N 0 0 303.289 2.272 10 10 DECERN COc1ccc(N2CCCN(C(=O)N[C@H]3C[C@H]3C)CC2)cc1 ZINC000075979955 534003831 /nfs/dbraw/zinc/00/38/31/534003831.db2.gz LDQJYINDRYSACO-CJNGLKHVSA-N 0 0 303.406 2.325 10 10 DECERN CCn1c(C)nnc1CN(C)c1cc(OC)c(OC)c(OC)c1 ZINC000125735543 523149157 /nfs/dbraw/zinc/14/91/57/523149157.db2.gz ACQCLYXORDZLIL-UHFFFAOYSA-N 0 0 320.393 2.269 10 10 DECERN CCN(C[C@H](O)COC[C@H]1CCCO1)c1ccc(OC)cc1 ZINC000747681516 638463355 /nfs/dbraw/zinc/46/33/55/638463355.db2.gz AOULTPGMXBMNSN-DOTOQJQBSA-N 0 0 309.406 2.078 10 10 DECERN COCCN(C/C=C(/C)C(=O)OC)c1ccc(OC)c(OC)c1 ZINC000751474933 639086142 /nfs/dbraw/zinc/08/61/42/639086142.db2.gz GUODGPHYZDHCHW-JYRVWZFOSA-N 0 0 323.389 2.276 10 10 DECERN COc1ccc(O)c(CNC(=O)Nc2ncn(C(C)(C)C)n2)c1 ZINC000753001496 639246552 /nfs/dbraw/zinc/24/65/52/639246552.db2.gz XDLJQBAUQGBPFC-UHFFFAOYSA-N 0 0 319.365 2.069 10 10 DECERN C[C@H]1CN(C(=O)NCc2ccc3c(c2)CCCN3C)C[C@H](C)O1 ZINC000057660761 646518288 /nfs/dbraw/zinc/51/82/88/646518288.db2.gz HLDDCRKHAVAFQE-KBPBESRZSA-N 0 0 317.433 2.388 10 10 DECERN Oc1ccc(F)cc1CN1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000180279631 648478649 /nfs/dbraw/zinc/47/86/49/648478649.db2.gz PBJFHAPDVFNQPQ-HOCLYGCPSA-N 0 0 321.348 2.449 10 10 DECERN CC(=O)c1cnc(NC(=O)C=Cc2ccc(O)c(O)c2)s1 ZINC000181095189 648550729 /nfs/dbraw/zinc/55/07/29/648550729.db2.gz NNORYKLAWMOZRZ-HWKANZROSA-N 0 0 304.327 2.409 10 10 DECERN Oc1ccccc1C[NH2+]Cc1nnc(COc2ccccc2)[n-]1 ZINC000185760091 649605118 /nfs/dbraw/zinc/60/51/18/649605118.db2.gz PYMUGFSNGXIYPT-UHFFFAOYSA-N 0 0 310.357 2.379 10 10 DECERN COc1ccc(O)c(CNC(=O)[C@@H](C)n2nc(C)cc2C)c1 ZINC000155977257 684283155 /nfs/dbraw/zinc/28/31/55/684283155.db2.gz YFAJSUUEDWPMCP-GFCCVEGCSA-N 0 0 303.362 2.092 10 10 DECERN O=C(NCCOc1ccc(F)cc1F)c1cccc(O)c1O ZINC000193040022 684464514 /nfs/dbraw/zinc/46/45/14/684464514.db2.gz KXOCNTXTTVVWJI-UHFFFAOYSA-N 0 0 309.268 2.185 10 10 DECERN COc1ccccc1/C=C1\SC(=S)N(CCCO)C1=O ZINC000016904762 182063719 /nfs/dbraw/zinc/06/37/19/182063719.db2.gz LHRXWXBDXGLGAR-XFXZXTDPSA-N 0 0 309.412 2.279 10 10 DECERN CCOC(=O)CC[C@H](C)NC(=O)N(C)Cc1ccccc1O ZINC000089936491 401975169 /nfs/dbraw/zinc/97/51/69/401975169.db2.gz AEKAJDSKFGQSPO-LBPRGKRZSA-N 0 0 308.378 2.265 10 10 DECERN COCc1nc2n(n1)CCC[C@@H]2N[C@@H](C)c1cc(F)ccc1O ZINC000185776190 402375856 /nfs/dbraw/zinc/37/58/56/402375856.db2.gz UZKNUIDCCZNGNA-GWCFXTLKSA-N 0 0 320.368 2.455 10 10 DECERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(Cc2cc(C)ccc2O)C1 ZINC000248802479 402608901 /nfs/dbraw/zinc/60/89/01/402608901.db2.gz AJIVHYKBGLEJGW-KGLIPLIRSA-N 0 0 303.362 2.354 10 10 DECERN CO[C@H]1C[C@@H](c2nc(C)no2)N(Cc2cccc(C)c2O)C1 ZINC000249034442 402617639 /nfs/dbraw/zinc/61/76/39/402617639.db2.gz WZLIOUKTDHQVEZ-KBPBESRZSA-N 0 0 303.362 2.354 10 10 DECERN CC[C@@H](NC(=O)c1cc(C)n(-c2ccccn2)c1C)C(=O)OC ZINC000175745852 402828442 /nfs/dbraw/zinc/82/84/42/402828442.db2.gz LACYYGSQQOBIIU-CQSZACIVSA-N 0 0 315.373 2.171 10 10 DECERN CC(=O)c1cc(Cl)cc(CN2CC(F)(F)C[C@H]2CO)c1O ZINC000366665935 404827939 /nfs/dbraw/zinc/82/79/39/404827939.db2.gz RYSWKRXJQOEBBQ-NSHDSACASA-N 0 0 319.735 2.450 10 10 DECERN Cc1ccc([C@@H]2CN(C(=O)c3cccc(O)c3O)CCO2)o1 ZINC000193147802 225154049 /nfs/dbraw/zinc/15/40/49/225154049.db2.gz VDZKQYIBNMVDEK-AWEZNQCLSA-N 0 0 303.314 2.213 10 10 DECERN CCS(=O)(=O)CCN(C)Cc1cc(Cl)cc(C)c1O ZINC000180422748 521639603 /nfs/dbraw/zinc/63/96/03/521639603.db2.gz CYWGTWMQBOZSSY-UHFFFAOYSA-N 0 0 305.827 2.221 10 10 DECERN CC(C)[C@@H](O)CNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000172604538 519800864 /nfs/dbraw/zinc/80/08/64/519800864.db2.gz BVMCVIADWYOVKR-INIZCTEOSA-N 0 0 305.422 2.103 10 10 DECERN CCc1nc([C@H]2CN(Cc3ccc(N(C)C)cc3)CCO2)n[nH]1 ZINC000129119629 522140810 /nfs/dbraw/zinc/14/08/10/522140810.db2.gz CADIPRFEGPTBGM-OAHLLOKOSA-N 0 0 315.421 2.007 10 10 DECERN COc1ccc(O)c(CN2C[C@@H](OC)C[C@@H]2c2nc(C)no2)c1 ZINC000190155899 524747046 /nfs/dbraw/zinc/74/70/46/524747046.db2.gz MQQMUROHASFBIB-UONOGXRCSA-N 0 0 319.361 2.054 10 10 DECERN CC(=O)c1cc(F)cc(CN2CCN3CCCC[C@H]3C2)c1O ZINC000246488488 527210559 /nfs/dbraw/zinc/21/05/59/527210559.db2.gz IDRMKBZHVIQUQR-HNNXBMFYSA-N 0 0 306.381 2.404 10 10 DECERN CNC(=O)c1cncc(/C=C\C(=O)N2CCc3c2cccc3C)c1 ZINC000255595441 625378579 /nfs/dbraw/zinc/37/85/79/625378579.db2.gz GBXWRSJYCHILIJ-SREVYHEPSA-N 0 0 321.380 2.352 10 10 DECERN Cc1cc(C(=O)NC2(CO)CC2)c(C)n1-c1ccc(F)cc1 ZINC000160325646 623562886 /nfs/dbraw/zinc/56/28/86/623562886.db2.gz QWXHANDCRKMFGL-UHFFFAOYSA-N 0 0 302.349 2.488 10 10 DECERN CCNS(=O)(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC000736324922 633598665 /nfs/dbraw/zinc/59/86/65/633598665.db2.gz JUOSURGDCNIWIH-UHFFFAOYSA-N 0 0 321.446 2.081 10 10 DECERN OCCC1(C[NH2+]Cc2cc(Br)ccc2O)CC1 ZINC000189997989 640063763 /nfs/dbraw/zinc/06/37/63/640063763.db2.gz RPBAHSSLFOVNHZ-UHFFFAOYSA-N 0 0 300.196 2.407 10 10 DECERN CN1CCCc2cc(CNC(=O)Nc3nncs3)ccc21 ZINC000058516749 646553558 /nfs/dbraw/zinc/55/35/58/646553558.db2.gz YMLTUFFSDIXJFI-UHFFFAOYSA-N 0 0 303.391 2.242 10 10 DECERN N#Cc1ccc(C2(C(=O)NCCc3ccc(O)c(O)c3)CC2)cc1 ZINC000188774195 646711167 /nfs/dbraw/zinc/71/11/67/646711167.db2.gz DJODCPCYEAXZKP-UHFFFAOYSA-N 0 0 322.364 2.360 10 10 DECERN O=C(COC(=O)C1=CC(=O)CS1)c1ccc2c(c1)OCO2 ZINC000731911281 647520502 /nfs/dbraw/zinc/52/05/02/647520502.db2.gz IXXGOPUDJPTCPT-UHFFFAOYSA-N 0 0 306.295 2.222 10 10 DECERN COc1ccc(O)c(CNC(=O)c2cccc(OC)c2F)c1 ZINC000154122167 647900408 /nfs/dbraw/zinc/90/04/08/647900408.db2.gz BNJJRLXHIDRPTL-UHFFFAOYSA-N 0 0 305.305 2.479 10 10 DECERN C[C@@H](CC[NH2+]Cc1cccc(Br)c1[O-])[S@](C)=O ZINC000129323676 684178626 /nfs/dbraw/zinc/17/86/26/684178626.db2.gz LORBURSLYNZPNL-HUTHGQBESA-N 0 0 320.252 2.401 10 10 DECERN COc1cccc(CNC(=O)c2snnc2C(C)(C)C)c1O ZINC000191954795 684439555 /nfs/dbraw/zinc/43/95/55/684439555.db2.gz FHLWLSUOUUITCP-UHFFFAOYSA-N 0 0 321.402 2.480 10 10 DECERN CC(C)c1nc2c(n1C)CCN(C(=O)c1cccc(O)c1O)C2 ZINC000193066672 684465027 /nfs/dbraw/zinc/46/50/27/684465027.db2.gz ITLNVWGSMHQPMC-UHFFFAOYSA-N 0 0 315.373 2.153 10 10 DECERN CC1(C)CCN(Cc2cc3c(cc2O)CCC3)CCS1(=O)=O ZINC000193384012 685039689 /nfs/dbraw/zinc/03/96/89/685039689.db2.gz ICTLFHWAQPGXFX-UHFFFAOYSA-N 0 0 323.458 2.280 10 10 DECERN Cc1cc(C(=O)NC(C)(C)C(N)=O)c(C)n1-c1ccc(F)cc1 ZINC000193893811 685052115 /nfs/dbraw/zinc/05/21/15/685052115.db2.gz SEKISEVHJIODRZ-UHFFFAOYSA-N 0 0 317.364 2.227 10 10 DECERN CN1CCc2cc(N3CCN(C(=O)c4ccco4)CC3)ccc21 ZINC000071702573 191009773 /nfs/dbraw/zinc/00/97/73/191009773.db2.gz KVPCBJCUORIDOS-UHFFFAOYSA-N 0 0 311.385 2.234 10 10 DECERN COC(=O)c1ccc2c(c1)NC(=O)/C2=C/c1cccc(O)c1O ZINC000199992189 356266499 /nfs/dbraw/zinc/26/64/99/356266499.db2.gz AJBBZDVVBJWYFQ-KPKJPENVSA-N 0 0 311.293 2.377 10 10 DECERN O=C1N[C@@H](c2cc(Cl)c3ccccc3c2O)N2CCOC[C@H]12 ZINC000091516636 296387720 /nfs/dbraw/zinc/38/77/20/296387720.db2.gz CKOQGDKGAYYYJT-UKRRQHHQSA-N 0 0 318.760 2.028 10 10 DECERN COc1cccc(C[NH+]2CCC(Nc3cccnn3)CC2)c1O ZINC000120314987 401986139 /nfs/dbraw/zinc/98/61/39/401986139.db2.gz UQLOLZDURLNCPX-UHFFFAOYSA-N 0 0 314.389 2.267 10 10 DECERN C[C@H](NC(=O)NCc1ccc2c(c1)CCCN2C)[C@H]1CCCO1 ZINC000069719946 402240685 /nfs/dbraw/zinc/24/06/85/402240685.db2.gz GWNFIJVPTJZMME-SUMWQHHRSA-N 0 0 317.433 2.436 10 10 DECERN Cc1ccc(C(=O)N2CC[C@H](Oc3cccnc3)C2)c(O)c1O ZINC000182809363 402718029 /nfs/dbraw/zinc/71/80/29/402718029.db2.gz VPTQICFSPWFBFW-ZDUSSCGKSA-N 0 0 314.341 2.095 10 10 DECERN [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@@H]1CN(C2CC2)CCO1 ZINC000190978871 225101001 /nfs/dbraw/zinc/10/10/01/225101001.db2.gz VODMSLGOQDDFOX-LLVKDONJSA-N 0 0 314.788 2.138 10 10 DECERN Cc1ccc(C(=O)N2CCC(Cn3cccn3)CC2)c(O)c1O ZINC000182481455 526085632 /nfs/dbraw/zinc/08/56/32/526085632.db2.gz HQRPGJGVXAOSAK-UHFFFAOYSA-N 0 0 315.373 2.155 10 10 DECERN COc1ccc(O)c(CNS(=O)(=O)/C=C\c2ccccc2)c1 ZINC000255509539 624901310 /nfs/dbraw/zinc/90/13/10/624901310.db2.gz IWAUBMKTOFZFRV-KTKRTIGZSA-N 0 0 319.382 2.491 10 10 DECERN COC[C@H](C)C(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000103434347 637864940 /nfs/dbraw/zinc/86/49/40/637864940.db2.gz NKJPGMDTGJMRMI-ZDUSSCGKSA-N 0 0 306.406 2.063 10 10 DECERN COc1ccc(N2CCC[N@H+](C[C@H](O)C(F)(F)F)CC2)cc1 ZINC000181650410 648718296 /nfs/dbraw/zinc/71/82/96/648718296.db2.gz CWQKDTLRJOLKNL-AWEZNQCLSA-N 0 0 318.339 2.131 10 10 DECERN COc1ccc(O)c(CNC(=O)CCc2ccccc2O)c1 ZINC000114544194 651962088 /nfs/dbraw/zinc/96/20/88/651962088.db2.gz XFLDBMONTQHGGR-UHFFFAOYSA-N 0 0 301.342 2.355 10 10 DECERN N#Cc1ccc(C2(C(=O)NCc3ccc(O)c(O)c3)CC2)cc1 ZINC000188780943 684363682 /nfs/dbraw/zinc/36/36/82/684363682.db2.gz KFUKGBURNJRMIX-UHFFFAOYSA-N 0 0 308.337 2.317 10 10 DECERN COC(=O)C[C@H](NC(=O)Cc1ccc(N)cc1)c1ccccc1 ZINC000195140360 685088514 /nfs/dbraw/zinc/08/85/14/685088514.db2.gz DTLOWRHKEUDAOM-INIZCTEOSA-N 0 0 312.369 2.232 10 10 DECERN CC(C)(C)OC(=O)N1C[C@H]([NH2+]Cc2cccc(F)c2[O-])CO1 ZINC000722500894 778743808 /nfs/dbraw/zinc/74/38/08/778743808.db2.gz MCXYBXCICOURRU-NSHDSACASA-N 0 0 312.341 2.172 10 10 DECERN CS(=O)(=O)C1CC([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000715220631 792406283 /nfs/dbraw/zinc/40/62/83/792406283.db2.gz PBMBIHJDQZXGGN-UHFFFAOYSA-N 0 0 324.229 2.364 10 10 DECERN COCCN1C(=O)/C(=C/c2ccc(F)cc2)C(C(=O)OC)=C1C ZINC000006241560 181321898 /nfs/dbraw/zinc/32/18/98/181321898.db2.gz LDKQLHOFIJKQEY-GXDHUFHOSA-N 0 0 319.332 2.145 10 10 DECERN C[C@@H]1CN(Cc2c(O)ccc3ccccc32)CCS1(=O)=O ZINC000151588985 402045208 /nfs/dbraw/zinc/04/52/08/402045208.db2.gz KVKHFPLZWKKWMK-GFCCVEGCSA-N 0 0 305.399 2.164 10 10 DECERN COC(=O)/C=C/c1ccc(N(C)C[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000185830266 402380457 /nfs/dbraw/zinc/38/04/57/402380457.db2.gz XIIAVCYTTHJIJN-CFNZNRNTSA-N 0 0 320.345 2.396 10 10 DECERN C[C@H]1CCOCCN1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000364054841 404301293 /nfs/dbraw/zinc/30/12/93/404301293.db2.gz HTZLJASDJPJQAP-AWEZNQCLSA-N 0 0 317.433 2.389 10 10 DECERN Oc1ccc(I)c(Br)c1O ZINC000575685368 406817878 /nfs/dbraw/zinc/81/78/78/406817878.db2.gz GFECKBJXXLEJOI-UHFFFAOYSA-N 0 0 314.904 2.465 10 10 DECERN Cc1ccc([C@H]2CN(C(=O)c3cccc(O)c3O)CCO2)o1 ZINC000193147812 225153761 /nfs/dbraw/zinc/15/37/61/225153761.db2.gz VDZKQYIBNMVDEK-CQSZACIVSA-N 0 0 303.314 2.213 10 10 DECERN Cc1ccc(C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c(O)c1O ZINC000248424023 225237899 /nfs/dbraw/zinc/23/78/99/225237899.db2.gz ZPKVOEQXXKDRTE-NILFDRSVSA-N 0 0 303.358 2.094 10 10 DECERN CC(=O)c1cc(F)cc(CN2CC[C@@](O)(C(F)(F)F)C2)c1O ZINC000079443675 277106049 /nfs/dbraw/zinc/10/60/49/277106049.db2.gz RRRKYABQIHNHFF-ZDUSSCGKSA-N 0 0 321.270 2.233 10 10 DECERN COc1ccc(N2CCCN(C(=O)N[C@@H]3C[C@H]3C)CC2)cc1 ZINC000075979960 534002787 /nfs/dbraw/zinc/00/27/87/534002787.db2.gz LDQJYINDRYSACO-CZUORRHYSA-N 0 0 303.406 2.325 10 10 DECERN c1nc([C@@H]2CCCN2Cc2ccc(N3CCOCC3)cc2)no1 ZINC000371382450 534533812 /nfs/dbraw/zinc/53/38/12/534533812.db2.gz IWRYACVDPTUECV-INIZCTEOSA-N 0 0 314.389 2.243 10 10 DECERN Cc1cc(C(=O)NCC2(CCO)CC2)c(C)n1-c1ccccn1 ZINC000188046095 625441446 /nfs/dbraw/zinc/44/14/46/625441446.db2.gz MBEOKQGKRKNMLG-UHFFFAOYSA-N 0 0 313.401 2.382 10 10 DECERN CCOc1ccc(N(CC)C[C@@H](O)COC[C@H]2CCCO2)cc1 ZINC000747683202 638463862 /nfs/dbraw/zinc/46/38/62/638463862.db2.gz SWQWEVXXXZKTFE-SJLPKXTDSA-N 0 0 323.433 2.468 10 10 DECERN CNC(=O)CC(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000133773758 684222769 /nfs/dbraw/zinc/22/27/69/684222769.db2.gz WFWPDMMJKJIOOL-UHFFFAOYSA-N 0 0 317.433 2.208 10 10 DECERN COc1cnccc1[C@@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000189637506 684385176 /nfs/dbraw/zinc/38/51/76/684385176.db2.gz XHYWWIKEPOWJLI-DUMNWFOQSA-N 0 0 314.341 2.392 10 10 DECERN C[N@H+](Cc1ccc(Br)cc1O)C(C)(C)C(=O)[O-] ZINC000691414978 976355355 /nfs/dbraw/zinc/35/53/55/976355355.db2.gz PPURGPTVIMARCL-UHFFFAOYSA-N 0 0 302.168 2.450 10 10 DECERN CC(=O)c1cc(F)cc(CN2CC[C@](O)(C(F)(F)F)C2)c1O ZINC000079443672 185172121 /nfs/dbraw/zinc/17/21/21/185172121.db2.gz RRRKYABQIHNHFF-CYBMUJFWSA-N 0 0 321.270 2.233 10 10 DECERN CN(C)c1ccc(CNC(=O)N[C@@H]2C[C@@H]3OCCC[C@H]23)cc1F ZINC000187926807 529781939 /nfs/dbraw/zinc/78/19/39/529781939.db2.gz KVFOXDSXNVFMHO-XPKDYRNWSA-N 0 0 321.396 2.258 10 10 DECERN CCN(CC)c1ccc(CN2CCC[C@H]2C(=O)NC)cc1F ZINC000092097896 193157386 /nfs/dbraw/zinc/15/73/86/193157386.db2.gz IUFIKIBKLOUTRN-INIZCTEOSA-N 0 0 307.413 2.382 10 10 DECERN CCC(=O)Nc1cccc(N=CC2C(=O)OC(C)(C)OC2=O)c1 ZINC000009230943 181608956 /nfs/dbraw/zinc/60/89/56/181608956.db2.gz UUGMMISCDHMVLE-UHFFFAOYSA-N 0 0 318.329 2.167 10 10 DECERN COc1cccc(CNn2c(C)nc3ccccc3c2=O)c1O ZINC000000102860 401688070 /nfs/dbraw/zinc/68/80/70/401688070.db2.gz QYVXRVIRASYIQD-UHFFFAOYSA-N 0 0 311.341 2.163 10 10 DECERN COc1ccc(O)c(CNC(=O)N[C@H]2COc3ccccc32)c1 ZINC000114592816 401803947 /nfs/dbraw/zinc/80/39/47/401803947.db2.gz SXTACOIVEOXDGB-AWEZNQCLSA-N 0 0 314.341 2.334 10 10 DECERN C[C@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)[C@H]1CCCO1 ZINC000125358878 402227524 /nfs/dbraw/zinc/22/75/24/402227524.db2.gz ANPADXQUYWBQPO-WMLDXEAASA-N 0 0 315.417 2.430 10 10 DECERN CCOC(=O)c1nn(C)cc1CN1CCc2cc(OC)ccc21 ZINC000186151962 402406050 /nfs/dbraw/zinc/40/60/50/402406050.db2.gz POXBNVLPUYLCLL-UHFFFAOYSA-N 0 0 315.373 2.168 10 10 DECERN O=C(c1cccc(O)c1O)N1CCO[C@H](c2ccsc2)C1 ZINC000193133069 402766216 /nfs/dbraw/zinc/76/62/16/402766216.db2.gz LWCCZAQIEYNULF-ZDUSSCGKSA-N 0 0 305.355 2.373 10 10 DECERN Cc1cc(Cl)cc(CN2CCS(=O)(=O)C[C@@H](C)C2)c1O ZINC000192067472 225123274 /nfs/dbraw/zinc/12/32/74/225123274.db2.gz ZHCVKMDONQWBEE-JTQLQIEISA-N 0 0 317.838 2.221 10 10 DECERN Cc1cc(Cl)cc(CN2CCS(=O)(=O)C[C@H](C)C2)c1O ZINC000192067465 225123328 /nfs/dbraw/zinc/12/33/28/225123328.db2.gz ZHCVKMDONQWBEE-SNVBAGLBSA-N 0 0 317.838 2.221 10 10 DECERN CO[C@H]1C[C@@H](c2nc(C)no2)N(Cc2cc(F)ccc2O)C1 ZINC000190143388 524014787 /nfs/dbraw/zinc/01/47/87/524014787.db2.gz TVQOVOKPTLPVOO-STQMWFEESA-N 0 0 307.325 2.185 10 10 DECERN Cc1cc(Cl)cc(CN2CCS(=O)(=O)[C@@H](C)[C@@H]2C)c1O ZINC000180351357 524865580 /nfs/dbraw/zinc/86/55/80/524865580.db2.gz BOAODEZEVDVTDT-QWRGUYRKSA-N 0 0 317.838 2.361 10 10 DECERN C[C@H](C1CC1)n1[nH]ccc1=NC(=O)CSc1nccs1 ZINC000255299382 624135625 /nfs/dbraw/zinc/13/56/25/624135625.db2.gz HXPKFNGHQFBAGH-SECBINFHSA-N 0 0 308.432 2.463 10 10 DECERN CC(=O)N[C@@H]1CCCN(Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000177259082 625893922 /nfs/dbraw/zinc/89/39/22/625893922.db2.gz LGHYQJPOJOGZNM-CQSZACIVSA-N 0 0 324.808 2.349 10 10 DECERN CC[C@@H]1COCCN1c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] ZINC000734482837 633374274 /nfs/dbraw/zinc/37/42/74/633374274.db2.gz JHOJZQZOCNDOIR-SCXUMTSISA-N 0 0 320.345 2.396 10 10 DECERN Cc1cc(S(=O)(=O)NCCc2ccc(N)cc2)c(C)s1 ZINC000063129905 646757543 /nfs/dbraw/zinc/75/75/43/646757543.db2.gz ORPJMMLBZCIEMC-UHFFFAOYSA-N 0 0 310.444 2.468 10 10 DECERN Cc1nnc(CN2CCOc3cc(N(C)C)ccc32)n1C1CC1 ZINC000181121625 648554361 /nfs/dbraw/zinc/55/43/61/648554361.db2.gz NTQKHXYVTYFQBQ-UHFFFAOYSA-N 0 0 313.405 2.386 10 10 DECERN C[C@H]1C[C@@H]1NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000075978447 648738199 /nfs/dbraw/zinc/73/81/99/648738199.db2.gz FGLJGEGMYQVMGX-WFASDCNBSA-N 0 0 305.447 2.447 10 10 DECERN Cc1sc(C(=O)NCc2ccc(O)c(O)c2)cc1[N+](=O)[O-] ZINC000182521273 648931356 /nfs/dbraw/zinc/93/13/56/648931356.db2.gz SWLRDCADCIDIDA-UHFFFAOYSA-N 0 0 308.315 2.306 10 10 DECERN Oc1cc2c(cc1C[N@@H+]1CCOC3(CCOCC3)C1)CCC2 ZINC000131278292 684198401 /nfs/dbraw/zinc/19/84/01/684198401.db2.gz ZIPGJCHQENMPNU-UHFFFAOYSA-N 0 0 303.402 2.262 10 10 DECERN CC(C)(C)c1noc(CCC(=O)NCc2ccc(O)c(O)c2)n1 ZINC000159095329 684310267 /nfs/dbraw/zinc/31/02/67/684310267.db2.gz UBAUFRCOJUZNLJ-UHFFFAOYSA-N 0 0 319.361 2.027 10 10 DECERN COC(=O)CCCN1C(=O)/C(=C/c2ccco2)SC1=S ZINC000004342381 181100120 /nfs/dbraw/zinc/10/01/20/181100120.db2.gz RUPWYDCAIDVXPC-NTMALXAHSA-N 0 0 311.384 2.434 10 10 DECERN Nc1ccc(OCCn2cccc(Br)c2=O)cc1 ZINC000057839449 184056594 /nfs/dbraw/zinc/05/65/94/184056594.db2.gz ZKKCXTDKHOZXKK-UHFFFAOYSA-N 0 0 309.163 2.272 10 10 DECERN COc1ccccc1C(=O)N1CCN(c2ccc(N)cc2)CC1 ZINC000008030993 134486583 /nfs/dbraw/zinc/48/65/83/134486583.db2.gz CYCIEBSWWSRMLK-UHFFFAOYSA-N 0 0 311.385 2.240 10 10 DECERN CN(C)c1ccc(CNC(=O)N(C)C[C@H]2CCCO2)cc1F ZINC000077020792 401802743 /nfs/dbraw/zinc/80/27/43/401802743.db2.gz RRBWBIQMPQNXNM-CYBMUJFWSA-N 0 0 309.385 2.212 10 10 DECERN C[C@@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)C[C@@H](C)O1 ZINC000127935170 401756139 /nfs/dbraw/zinc/75/61/39/401756139.db2.gz ALHVIRHFQDABNB-HUUCEWRRSA-N 0 0 315.417 2.382 10 10 DECERN COc1ccc(N2CCCN(C(=O)CCSC)CC2)cc1 ZINC000193518959 534001306 /nfs/dbraw/zinc/00/13/06/534001306.db2.gz HGZITNWOHVDGHT-UHFFFAOYSA-N 0 0 308.447 2.487 10 10 DECERN Nc1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 ZINC000160379772 527492284 /nfs/dbraw/zinc/49/22/84/527492284.db2.gz JNDGECGSDOHPDM-CQSZACIVSA-N 0 0 309.369 2.256 10 10 DECERN CC(C)c1nnc2n1CCN(C(=O)c1cccc(O)c1O)[C@H]2C ZINC000375532409 528472326 /nfs/dbraw/zinc/47/23/26/528472326.db2.gz GCGYQBUONWFPAI-JTQLQIEISA-N 0 0 316.361 2.030 10 10 DECERN Cc1cc(=O)[nH]cc1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000150821608 646131349 /nfs/dbraw/zinc/13/13/49/646131349.db2.gz QXLMLGKQOVYEIL-UHFFFAOYSA-N 0 0 312.369 2.198 10 10 DECERN CC(C)(C)c1noc(CCC(=O)NCCc2ccc(N)cc2)n1 ZINC000152556302 647212184 /nfs/dbraw/zinc/21/21/84/647212184.db2.gz CVOOIDCPPQZYIK-UHFFFAOYSA-N 0 0 316.405 2.241 10 10 DECERN CCN(CC)c1ccc(CNC(=O)[C@H]2C[C@@H]2C(=O)OC)cc1F ZINC000108996900 651779420 /nfs/dbraw/zinc/77/94/20/651779420.db2.gz AFXNKVIHASZOOS-STQMWFEESA-N 0 0 322.380 2.097 10 10 DECERN COc1cnccc1[C@@H](C)NC(=O)c1ccc(C)c(O)c1O ZINC000189570880 684384140 /nfs/dbraw/zinc/38/41/40/684384140.db2.gz WTJWZLPMUIMOAY-SNVBAGLBSA-N 0 0 302.330 2.301 10 10 DECERN [O-]c1c(F)cc(Br)cc1C[NH2+][C@@H]1CC12CC(O)C2 ZINC000724918142 777521376 /nfs/dbraw/zinc/52/13/76/777521376.db2.gz QNHVVDQXNNKRES-DMLGSKKGSA-N 0 0 316.170 2.297 10 10 DECERN [O-]c1c(F)cc(Br)cc1C[NH2+]CCCN1CCC1 ZINC000715816499 792524647 /nfs/dbraw/zinc/52/46/47/792524647.db2.gz BBFAQSYKTUGSDF-UHFFFAOYSA-N 0 0 317.202 2.479 10 10 DECERN COc1cccc(CN2CCO[C@@H](c3nccs3)C2)c1O ZINC000092831741 185344589 /nfs/dbraw/zinc/34/45/89/185344589.db2.gz UFYOERQITHGVHK-CYBMUJFWSA-N 0 0 306.387 2.431 10 10 DECERN CN(C[C@H]1CCCO1)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000155714076 529967576 /nfs/dbraw/zinc/96/75/76/529967576.db2.gz WMRVQMLFAXDGLK-QGZVFWFLSA-N 0 0 315.417 2.383 10 10 DECERN CCOC(=O)CCN1C(=O)/C(=C/c2ccncc2)SC1=S ZINC000040888563 183146522 /nfs/dbraw/zinc/14/65/22/183146522.db2.gz HKTSCAFPVQIZQV-LUAWRHEFSA-N 0 0 322.411 2.236 10 10 DECERN Oc1cc2c(cc1CN1CCO[C@H](c3nccs3)C1)OCO2 ZINC000152257310 402085036 /nfs/dbraw/zinc/08/50/36/402085036.db2.gz KEYDRGYGTSSUDN-AWEZNQCLSA-N 0 0 320.370 2.151 10 10 DECERN Oc1ccc(F)cc1CN1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189917416 534454768 /nfs/dbraw/zinc/45/47/68/534454768.db2.gz NNCCIYOFXDXNQD-UHFFFAOYSA-N 0 0 316.380 2.454 10 10 DECERN COc1ccc(O)c(CN2CCO[C@H](c3nccs3)C2)c1 ZINC000180007825 524740462 /nfs/dbraw/zinc/74/04/62/524740462.db2.gz HHADASSNRQHBCB-AWEZNQCLSA-N 0 0 306.387 2.431 10 10 DECERN Cc1cc(Cl)cc(CN2CCO[C@@H](Cn3cccn3)C2)c1O ZINC000180128952 524863686 /nfs/dbraw/zinc/86/36/86/524863686.db2.gz GSIQRDBGOZIOTK-OAHLLOKOSA-N 0 0 321.808 2.452 10 10 DECERN COc1ccc(O[C@@H](C)C(=O)NCCc2ccc(N)cc2)cc1 ZINC000237301624 524981496 /nfs/dbraw/zinc/98/14/96/524981496.db2.gz DWGPCYVAMMOJAK-ZDUSSCGKSA-N 0 0 314.385 2.404 10 10 DECERN CC(NCCc1c[nH]cn1)=C1C(=O)N(c2ccccc2)N=C1C ZINC000095483247 625680264 /nfs/dbraw/zinc/68/02/64/625680264.db2.gz FOPTVWPUQDBLMV-FOWTUZBSSA-N 0 0 309.373 2.239 10 10 DECERN CCN(CC)c1ccc(CN2C[C@@H](C)O[C@H](C(=O)OC)C2)cc1 ZINC000092014122 624869504 /nfs/dbraw/zinc/86/95/04/624869504.db2.gz XPFDQPPSKKHUDM-PBHICJAKSA-N 0 0 320.433 2.295 10 10 DECERN O=C(NCCCSc1nccs1)Nc1nncs1 ZINC000172118787 646723055 /nfs/dbraw/zinc/72/30/55/646723055.db2.gz WTKZUJUPQNQOAK-UHFFFAOYSA-N 0 0 301.422 2.299 10 10 DECERN O=C(NCCCSc1nccs1)N[C@@H]1CCCC[C@@H]1O ZINC000154612820 648049441 /nfs/dbraw/zinc/04/94/41/648049441.db2.gz HVDOIMIYZIDUIP-MNOVXSKESA-N 0 0 315.464 2.228 10 10 DECERN CN(C[C@@H]1CCCO1)C(=O)NCCCSc1nccs1 ZINC000154652218 648058456 /nfs/dbraw/zinc/05/84/56/648058456.db2.gz MZTNOGOQKXNJIU-NSHDSACASA-N 0 0 315.464 2.446 10 10 DECERN COCc1ccsc1C(=O)NCCc1ccc(O)c(O)c1 ZINC000179866413 648428275 /nfs/dbraw/zinc/42/82/75/648428275.db2.gz DYHFQGJPXMXBNL-UHFFFAOYSA-N 0 0 307.371 2.278 10 10 DECERN CCN(CC)c1ccc(CNC(=O)[C@@H]2C[C@H]2C(=O)OC)cc1F ZINC000108996902 651779573 /nfs/dbraw/zinc/77/95/73/651779573.db2.gz AFXNKVIHASZOOS-CHWSQXEVSA-N 0 0 322.380 2.097 10 10 DECERN CNC(=O)c1cncc(/C=C/C(=O)N(C)c2ccc(C)cc2)c1 ZINC000110268694 652267464 /nfs/dbraw/zinc/26/74/64/652267464.db2.gz RMIHMKJJADDELX-RMKNXTFCSA-N 0 0 309.369 2.426 10 10 DECERN COCc1cc(NC(=O)NCc2ccc(N(C)C)cc2)ncn1 ZINC000162503375 684330217 /nfs/dbraw/zinc/33/02/17/684330217.db2.gz FZGWMPVVVRELIA-UHFFFAOYSA-N 0 0 315.377 2.011 10 10 DECERN CCc1nc(CNC(=O)/C=C\c2ccc(O)c(O)c2)cs1 ZINC000588405202 777961142 /nfs/dbraw/zinc/96/11/42/777961142.db2.gz YGMSYZHOJQUUGG-XQRVVYSFSA-N 0 0 304.371 2.446 10 10 DECERN CCn1c(C)nnc1CN1CCOc2cc(N(C)C)ccc21 ZINC000163187379 197616072 /nfs/dbraw/zinc/61/60/72/197616072.db2.gz ROBONVKBKVVVCP-UHFFFAOYSA-N 0 0 301.394 2.071 10 10 DECERN CN(C)c1ccc(CN(C)C(=O)N[C@@H]2C[C@H]3OCCC[C@H]23)cc1 ZINC000187960343 529780070 /nfs/dbraw/zinc/78/00/70/529780070.db2.gz ZCMIYUZULQSJAT-BRWVUGGUSA-N 0 0 317.433 2.462 10 10 DECERN C[C@H]1CC(C)(C)N2C(=O)C(=O)c3c2c1cc(O)c3CN(C)C ZINC000072415021 191155729 /nfs/dbraw/zinc/15/57/29/191155729.db2.gz FRHGAWDSCIHOBC-VIFPVBQESA-N 0 0 302.374 2.269 10 10 DECERN O=C1/C(=C\c2ccc(F)cc2)SC(=S)N1N1CCOCC1 ZINC000002229998 296312702 /nfs/dbraw/zinc/31/27/02/296312702.db2.gz MRYJVGSSCZLCJM-FMIVXFBMSA-N 0 0 324.402 2.274 10 10 DECERN COC(=O)N[C@H](CC(C)C)C(=O)N(C)Cc1ccccc1O ZINC000067920302 402178743 /nfs/dbraw/zinc/17/87/43/402178743.db2.gz MGMZBJSPHROYIS-CYBMUJFWSA-N 0 0 308.378 2.121 10 10 DECERN CCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(F)c(F)c1[O-])CC2 ZINC000187777105 402511434 /nfs/dbraw/zinc/51/14/34/402511434.db2.gz AEFYQQHYRVOUNY-NXEZZACHSA-N 0 0 322.359 2.490 10 10 DECERN CN1c2ccccc2C(=O)N2CCc3c4ccccc4[nH]c3[C@@]12O ZINC000033831721 524033984 /nfs/dbraw/zinc/03/39/84/524033984.db2.gz WCLDCQVGZXKRKT-LJQANCHMSA-N 0 0 319.364 2.419 10 10 biogenic DECERN C[C@H]1CCOCCN1C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000367657357 524315866 /nfs/dbraw/zinc/31/58/66/524315866.db2.gz HUJUGEJMHHRNOH-HNNXBMFYSA-N 0 0 315.417 2.383 10 10 DECERN COc1ccccc1NC(=O)CN(C)c1ccc2c(c1)OCO2 ZINC000121407414 649924884 /nfs/dbraw/zinc/92/48/84/649924884.db2.gz PRAOXGVFXLUHDH-UHFFFAOYSA-N 0 0 314.341 2.499 10 10 DECERN Cn1cnc(CC[NH2+]Cc2cccc(Br)c2[O-])c1 ZINC000313303340 633509610 /nfs/dbraw/zinc/50/96/10/633509610.db2.gz QDESABDWOVGNTH-UHFFFAOYSA-N 0 0 310.195 2.221 10 10 DECERN CN(Cc1ccccc1O)C(=O)C1C[C@H]2CSC[C@@H](C1)C2=O ZINC000901055595 642557119 /nfs/dbraw/zinc/55/71/19/642557119.db2.gz PXEKTZSNDSLHTP-AGUYFDCRSA-N 0 0 319.426 2.309 10 10 DECERN COc1cccc(CNC(=O)c2cccc(OC)c2F)c1O ZINC000153846252 647836217 /nfs/dbraw/zinc/83/62/17/647836217.db2.gz FHKNYUKURYRSFM-UHFFFAOYSA-N 0 0 305.305 2.479 10 10 DECERN CC(C)CC[C@](C)(O)CNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181144164 648565696 /nfs/dbraw/zinc/56/56/96/648565696.db2.gz JFXDLAKLUBTZQM-UABRLCRWSA-N 0 0 307.390 2.414 10 10 DECERN CCC[C@@](C)(NCc1ccc(N2CCOCC2)cc1)C(=O)OC ZINC000184045730 649229031 /nfs/dbraw/zinc/22/90/31/649229031.db2.gz MHXANAZMQANCQH-GOSISDBHSA-N 0 0 320.433 2.345 10 10 DECERN CC1(C)CN(Cc2cc(Cl)ccc2O)CCS1(=O)=O ZINC000093735420 684051666 /nfs/dbraw/zinc/05/16/66/684051666.db2.gz QDDXJZRJUPEUDT-UHFFFAOYSA-N 0 0 303.811 2.055 10 10 DECERN CN1CCc2cc(/C=C3/N=C(c4cccnc4)OC3=O)ccc21 ZINC000129680646 684181381 /nfs/dbraw/zinc/18/13/81/684181381.db2.gz QBABZJGKBYZISJ-XNTDXEJSSA-N 0 0 305.337 2.418 10 10 DECERN CC(C)NC(=O)c1ccccc1NC(=O)c1cccc(O)c1O ZINC000188175298 684351177 /nfs/dbraw/zinc/35/11/77/684351177.db2.gz MKFICDBRMYCDQF-UHFFFAOYSA-N 0 0 314.341 2.488 10 10 DECERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cn2ccnc2s1 ZINC000188845247 684364272 /nfs/dbraw/zinc/36/42/72/684364272.db2.gz WMYKXHJTYLLVMP-VIFPVBQESA-N 0 0 317.370 2.168 10 10 DECERN CCCOc1ccc(C=C2C(=O)NNC2=O)c(OCCC)c1C ZINC000090448958 185296988 /nfs/dbraw/zinc/29/69/88/185296988.db2.gz FVPMXCWBBLGSMO-UHFFFAOYSA-N 0 0 318.373 2.117 10 10 DECERN CN1CCCc2cc(N3CCN(c4ncccn4)CC3)ccc21 ZINC000071702479 191010180 /nfs/dbraw/zinc/01/01/80/191010180.db2.gz HDBHANHDFFWTFH-UHFFFAOYSA-N 0 0 309.417 2.186 10 10 DECERN O=C([C@@H]1Nc2ccccc2[C@H]2C=CC[C@H]21)N1CCn2cncc2C1 ZINC000072164120 296082825 /nfs/dbraw/zinc/08/28/25/296082825.db2.gz CXWVBRKPVPJPCT-QGPMSJSTSA-N 0 0 320.396 2.379 10 10 DECERN CN(Cc1ccccc1O)C(=O)[C@@H]1CCCN1c1nccs1 ZINC000120243703 401983770 /nfs/dbraw/zinc/98/37/70/401983770.db2.gz VTXRLMPYGPOONK-ZDUSSCGKSA-N 0 0 317.414 2.476 10 10 DECERN [O-]c1c(F)cccc1C[NH2+]CCn1cc(Br)cn1 ZINC000289945045 404011956 /nfs/dbraw/zinc/01/19/56/404011956.db2.gz YLFSQIDRYYNGHE-UHFFFAOYSA-N 0 0 314.158 2.280 10 10 DECERN CC[C@@H]1COCCN1c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC000301312787 287239690 /nfs/dbraw/zinc/23/96/90/287239690.db2.gz JHOJZQZOCNDOIR-VUDGCMKMSA-N 0 0 320.345 2.396 10 10 DECERN O=C1CS[C@@H](c2ccccc2O)N1c1[nH]nc2ncccc21 ZINC000584653188 337381113 /nfs/dbraw/zinc/38/11/13/337381113.db2.gz LRJWBYHUGMKVAW-HNNXBMFYSA-N 0 0 312.354 2.442 10 10 DECERN CO[C@@H]1CN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC[C@H]1C ZINC000190657927 523731805 /nfs/dbraw/zinc/73/18/05/523731805.db2.gz XVYAGCUZOBIUIV-MLGOLLRUSA-N 0 0 323.412 2.458 10 10 DECERN COCc1ccc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)o1 ZINC000186427513 634551606 /nfs/dbraw/zinc/55/16/06/634551606.db2.gz VIGVQZUOVBEHRN-SNVBAGLBSA-N 0 0 305.330 2.198 10 10 DECERN COC(=O)c1cc(C)nc(NCc2ccccc2O)c1[N+](=O)[O-] ZINC000804398330 645766597 /nfs/dbraw/zinc/76/65/97/645766597.db2.gz GIOABELZPAXTPE-UHFFFAOYSA-N 0 0 317.301 2.403 10 10 DECERN CC(=O)C(=O)CSc1nnc(C(C)C)n1Cc1ccco1 ZINC000808018311 646020833 /nfs/dbraw/zinc/02/08/33/646020833.db2.gz IVOUCCGVRJDVQJ-UHFFFAOYSA-N 0 0 307.375 2.293 10 10 DECERN COc1ccc(N2CCC(NC(=O)N[C@@H]3C[C@H]3C)CC2)cc1 ZINC000075980034 683939193 /nfs/dbraw/zinc/93/91/93/683939193.db2.gz CUEMJLHXTDJRBZ-MLGOLLRUSA-N 0 0 303.406 2.372 10 10 DECERN Cc1cnn(C[C@H]2CN(Cc3cc(Cl)ccc3O)CCO2)c1 ZINC000122412736 684115345 /nfs/dbraw/zinc/11/53/45/684115345.db2.gz JYDCCHLFWQAZDD-OAHLLOKOSA-N 0 0 321.808 2.452 10 10 DECERN CCC(C)(C)NC(=O)CN(C)c1cc(OC)c(OC)c(OC)c1 ZINC000125719135 684147959 /nfs/dbraw/zinc/14/79/59/684147959.db2.gz GATXBPTYSICARD-UHFFFAOYSA-N 0 0 324.421 2.453 10 10 DECERN COc1ccc(O)c([C@H](C)NC(=O)c2cnn3c2CCCC3)c1 ZINC000128467120 684171283 /nfs/dbraw/zinc/17/12/83/684171283.db2.gz BQPRFNHVLPCUAC-NSHDSACASA-N 0 0 315.373 2.425 10 10 DECERN CN(CC1(CO)CC1)C(=O)NCCCSc1nccs1 ZINC000187302731 684335207 /nfs/dbraw/zinc/33/52/07/684335207.db2.gz AMYIXQNPBFMXKY-UHFFFAOYSA-N 0 0 315.464 2.039 10 10 DECERN N#Cc1cc(C(=O)NCCCSc2nccs2)ccn1 ZINC000193247992 685036362 /nfs/dbraw/zinc/03/63/62/685036362.db2.gz CDCSOQSCXUVCHJ-UHFFFAOYSA-N 0 0 304.400 2.322 10 10 DECERN CC(C)CNC(=O)N1CCc2cc(N3CCOCC3)ccc21 ZINC000062526561 535158482 /nfs/dbraw/zinc/15/84/82/535158482.db2.gz DEHZYKBBDXICFN-UHFFFAOYSA-N 0 0 303.406 2.251 10 10 DECERN CN(C)c1ccc(CNC(=O)NC[C@@H]2CCCC[C@@H]2O)cc1F ZINC000077800344 401832233 /nfs/dbraw/zinc/83/22/33/401832233.db2.gz INPJGLMKNDGVEG-BBRMVZONSA-N 0 0 323.412 2.242 10 10 DECERN COCc1nc2n(n1)CCC[C@H]2N[C@@H](C)c1cc(F)ccc1O ZINC000185776153 402375641 /nfs/dbraw/zinc/37/56/41/402375641.db2.gz UZKNUIDCCZNGNA-GXFFZTMASA-N 0 0 320.368 2.455 10 10 DECERN CCN(CC)c1ccc(CNC(=O)N(C)CC2(CO)CC2)cc1 ZINC000186984234 402475661 /nfs/dbraw/zinc/47/56/61/402475661.db2.gz GJSGXHZCPIOYII-UHFFFAOYSA-N 0 0 319.449 2.447 10 10 DECERN Cc1cnn([C@@H]2CCCN(C(=O)c3ccc(C)c(O)c3O)C2)c1 ZINC000179484721 402591606 /nfs/dbraw/zinc/59/16/06/402591606.db2.gz XSKNEZZPMXKCHX-CYBMUJFWSA-N 0 0 315.373 2.388 10 10 DECERN COc1ccc2c(c1)CCN2Cc1cn(Cc2cccnc2)nn1 ZINC000182933230 402727872 /nfs/dbraw/zinc/72/78/72/402727872.db2.gz GXZXQEFQZGPXEL-UHFFFAOYSA-N 0 0 321.384 2.293 10 10 DECERN COc1cccc(CNC(=O)N[C@H]2COc3ccccc32)c1O ZINC000174441630 402741434 /nfs/dbraw/zinc/74/14/34/402741434.db2.gz RFSHFBOLOSJFKO-ZDUSSCGKSA-N 0 0 314.341 2.334 10 10 DECERN CC[C@@H]([NH2+][C@@H]1CCN(C2CCOCC2)C1=O)c1ccccc1O ZINC000367640847 405111890 /nfs/dbraw/zinc/11/18/90/405111890.db2.gz AAWUVHZLJVYPQM-HZPDHXFCSA-N 0 0 318.417 2.213 10 10 DECERN CCN(CC)c1ccc(CN2CCS(=O)(=O)[C@H](C)C2)cc1 ZINC000128005012 520895224 /nfs/dbraw/zinc/89/52/24/520895224.db2.gz LGWCAEFWSVBIER-CQSZACIVSA-N 0 0 310.463 2.152 10 10 DECERN COc1cccc(CN2C[C@@H](OC)C[C@@H]2c2nc(C)no2)c1O ZINC000190151943 525958553 /nfs/dbraw/zinc/95/85/53/525958553.db2.gz KHZCVBFCGBPDFC-QWHCGFSZSA-N 0 0 319.361 2.054 10 10 DECERN Cn1nccc1CNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000041314213 636015250 /nfs/dbraw/zinc/01/52/50/636015250.db2.gz XIWXOURKBWKSMR-UHFFFAOYSA-N 0 0 313.405 2.020 10 10 DECERN Cc1ccccc1NNC(=S)Nc1ccc(C(N)=O)cc1 ZINC000726434951 636432420 /nfs/dbraw/zinc/43/24/20/636432420.db2.gz VHXUXYHCSWAZPB-UHFFFAOYSA-N 0 0 300.387 2.407 10 10 DECERN CN(C)c1ccc(CNC(=O)[C@@H]2CCCC23OCCO3)cc1F ZINC000806685557 645863100 /nfs/dbraw/zinc/86/31/00/645863100.db2.gz UWIQJRPPUSZFPD-ZDUSSCGKSA-N 0 0 322.380 2.051 10 10 DECERN COc1ccc(N2CCC(NC(=O)[C@H]3CC[C@H](C)O3)CC2)cc1 ZINC000151655218 646994429 /nfs/dbraw/zinc/99/44/29/646994429.db2.gz YZXIHCLNTLIKHC-SUMWQHHRSA-N 0 0 318.417 2.348 10 10 DECERN COC(OC)[C@@H](C)[NH2+]Cc1cccc(Br)c1[O-] ZINC000079628417 683974529 /nfs/dbraw/zinc/97/45/29/683974529.db2.gz QZMFRYKIEFRBEN-MRVPVSSYSA-N 0 0 304.184 2.252 10 10 DECERN Cc1cnn(C[C@@H]2CN(Cc3ccc(N(C)C)cc3)CCO2)c1 ZINC000122342525 684114752 /nfs/dbraw/zinc/11/47/52/684114752.db2.gz JYMLFIIXJBNRGL-SFHVURJKSA-N 0 0 314.433 2.159 10 10 DECERN Cc1cnn(C[C@@H]2CN(Cc3cc(Cl)ccc3O)CCO2)c1 ZINC000122412513 684115172 /nfs/dbraw/zinc/11/51/72/684115172.db2.gz JYDCCHLFWQAZDD-HNNXBMFYSA-N 0 0 321.808 2.452 10 10 DECERN C[C@H]1[C@@H]([NH2+]Cc2cc(Br)cc(F)c2[O-])CCN1C ZINC000719596394 1089317104 /nfs/dbraw/zinc/31/71/04/1089317104.db2.gz AQXYLLFGVNDLMI-UFBFGSQYSA-N 0 0 317.202 2.476 10 10 DECERN C[C@H]1[C@H]([NH2+]Cc2cc(Br)cc(F)c2[O-])CCN1C ZINC000719596393 1089318118 /nfs/dbraw/zinc/31/81/18/1089318118.db2.gz AQXYLLFGVNDLMI-QPUJVOFHSA-N 0 0 317.202 2.476 10 10 DECERN CCOC(=O)[C@H]1CCCN(c2ccc3c(c2)CCN3C(C)=O)C1 ZINC000071702381 191009802 /nfs/dbraw/zinc/00/98/02/191009802.db2.gz JHBOETCWBCUHFQ-HNNXBMFYSA-N 0 0 316.401 2.375 10 10 DECERN C[C@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)[C@H]1CCCO1 ZINC000045683622 354260583 /nfs/dbraw/zinc/26/05/83/354260583.db2.gz XNOXTSIYVYLHKA-XJKSGUPXSA-N 0 0 305.422 2.462 10 10 DECERN COC(=O)[C@](C)(NCC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000037973309 182946190 /nfs/dbraw/zinc/94/61/90/182946190.db2.gz ZBTILZATKHPBHD-CYBMUJFWSA-N 0 0 304.312 2.293 10 10 DECERN O=C(NCCc1c[nH]c2ccc(O)cc12)c1ccc(O)c(O)c1 ZINC000043060599 183332782 /nfs/dbraw/zinc/33/27/82/183332782.db2.gz UYVJAIZMSPRFQW-UHFFFAOYSA-N 0 0 312.325 2.257 10 10 DECERN O=C(c1ccc(=O)[nH]c1)N1CCc2cc(N3CCCC3)ccc21 ZINC000062526071 184241685 /nfs/dbraw/zinc/24/16/85/184241685.db2.gz LJNMNISKIYTSFZ-UHFFFAOYSA-N 0 0 309.369 2.178 10 10 DECERN CCCCS(=O)(=O)N1CCc2cc(N3CCOCC3)ccc21 ZINC000041122112 134723636 /nfs/dbraw/zinc/72/36/36/134723636.db2.gz YGWWQRXZWQLCFM-UHFFFAOYSA-N 0 0 324.446 2.016 10 10 DECERN C[C@@H](NC(=O)NCc1ccc(N2CCCC2)cc1)[C@H](C)CO ZINC000077776906 401830680 /nfs/dbraw/zinc/83/06/80/401830680.db2.gz NSJNNLULQLEVEO-ZIAGYGMSSA-N 0 0 305.422 2.103 10 10 DECERN O=C(c1cccc(O)c1O)N1CCO[C@@H](c2cccs2)C1 ZINC000185850653 402382693 /nfs/dbraw/zinc/38/26/93/402382693.db2.gz PZMMDWXMYFOCKR-GFCCVEGCSA-N 0 0 305.355 2.373 10 10 DECERN Cc1ccc(C(=O)N2CCC(c3cc[nH]n3)CC2)c(O)c1O ZINC000182480640 402693618 /nfs/dbraw/zinc/69/36/18/402693618.db2.gz IIDVONKDIMOODR-UHFFFAOYSA-N 0 0 301.346 2.149 10 10 DECERN Cc1nccn1C[C@H]1CCCN1C(=O)c1ccc(C)c(O)c1O ZINC000182562234 402699372 /nfs/dbraw/zinc/69/93/72/402699372.db2.gz ZVILWXUUHSCSSS-CYBMUJFWSA-N 0 0 315.373 2.216 10 10 DECERN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](c3cnn(C)c3)C2)c1O ZINC000175680693 402825115 /nfs/dbraw/zinc/82/51/15/402825115.db2.gz UMLSJSAFMPHQID-LBPRGKRZSA-N 0 0 317.364 2.457 10 10 DECERN C[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000282233546 403134997 /nfs/dbraw/zinc/13/49/97/403134997.db2.gz FPUVMRRAENUHCJ-HQJQHLMTSA-N 0 0 303.189 2.456 10 10 DECERN C[C@H]1C[N@H+](Cc2cccc(Cl)c2[O-])C[C@@H]1N1CCOCC1 ZINC000180655548 300270844 /nfs/dbraw/zinc/27/08/44/300270844.db2.gz WRWHWYVXNWEGBY-WFASDCNBSA-N 0 0 310.825 2.198 10 10 DECERN Cc1cc(Cl)cc(CN2CCS(=O)(=O)CC[C@@H]2C)c1O ZINC000192057342 301286614 /nfs/dbraw/zinc/28/66/14/301286614.db2.gz KXHRWDSCZLGTQD-NSHDSACASA-N 0 0 317.838 2.363 10 10 DECERN CO[C@@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)CC[C@@H]1C ZINC000190413054 523731329 /nfs/dbraw/zinc/73/13/29/523731329.db2.gz WKONKBDPZVEHGZ-XJKSGUPXSA-N 0 0 305.422 2.319 10 10 DECERN Cn1cc([C@H]2CCCN2C(=O)/C=C/c2ccc(O)c(O)c2)cn1 ZINC000181039769 527316894 /nfs/dbraw/zinc/31/68/94/527316894.db2.gz LZBLNTATQHVCGZ-HZRUHFOJSA-N 0 0 313.357 2.208 10 10 DECERN O=[N+]([O-])c1cnc(Sc2nnnn2Cc2ccccc2)s1 ZINC000034046080 623474226 /nfs/dbraw/zinc/47/42/26/623474226.db2.gz ZAMCSZLDLOMGKO-UHFFFAOYSA-N 0 0 320.359 2.237 10 10 DECERN C[C@H](NC(=O)c1cccc(O)c1O)c1ccc(-n2cncn2)cc1 ZINC000186789209 636565434 /nfs/dbraw/zinc/56/54/34/636565434.db2.gz QPODHJNKMIGWMP-NSHDSACASA-N 0 0 324.340 2.170 10 10 DECERN C[C@@H]1C[C@H]1NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000075978448 648738078 /nfs/dbraw/zinc/73/80/78/648738078.db2.gz FGLJGEGMYQVMGX-IUODEOHRSA-N 0 0 305.447 2.447 10 10 DECERN COC(=O)CCCCCNC(=O)NCc1ccc(N(C)C)cc1 ZINC000043862379 683901599 /nfs/dbraw/zinc/90/15/99/683901599.db2.gz XTEZPLCVIYIZOW-UHFFFAOYSA-N 0 0 321.421 2.285 10 10 DECERN COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCCc3n[nH]cc32)c1 ZINC000136747656 684241332 /nfs/dbraw/zinc/24/13/32/684241332.db2.gz WHICTBHCTIGBID-CMPLNLGQSA-N 0 0 315.373 2.421 10 10 DECERN C[C@@H](CO)[C@H](C)[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000715780063 792511978 /nfs/dbraw/zinc/51/19/78/792511978.db2.gz UMXQACACBCBNSD-YUMQZZPRSA-N 0 0 306.175 2.400 10 10 DECERN COc1cc(N(C)C[C@@H](O)C(F)(F)F)cc(OC)c1OC ZINC000121368542 402031726 /nfs/dbraw/zinc/03/17/26/402031726.db2.gz SOECQIUKWUEEGJ-LLVKDONJSA-N 0 0 309.284 2.072 10 10 DECERN CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1[O-])CC2 ZINC000187777088 402511312 /nfs/dbraw/zinc/51/13/12/402511312.db2.gz AEFYQQHYRVOUNY-UWVGGRQHSA-N 0 0 322.359 2.490 10 10 DECERN COc1cccc(CNC(=O)NCCCc2ccccn2)c1O ZINC000178417089 402495849 /nfs/dbraw/zinc/49/58/49/402495849.db2.gz RHHMPCUKQSDXLW-UHFFFAOYSA-N 0 0 315.373 2.228 10 10 DECERN CO[C@@H]1C[C@H](c2nc(C)no2)N(Cc2cc(C)ccc2O)C1 ZINC000190149765 523777155 /nfs/dbraw/zinc/77/71/55/523777155.db2.gz AJIVHYKBGLEJGW-ZIAGYGMSSA-N 0 0 303.362 2.354 10 10 DECERN CCc1onc(C)c1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000186408466 634216314 /nfs/dbraw/zinc/21/63/14/634216314.db2.gz IBCDZXOSULXFNF-VIFPVBQESA-N 0 0 304.346 2.318 10 10 DECERN CCOc1ccc(N(C)C[C@@H](O)COC[C@H]2CCCO2)cc1 ZINC000740423168 637853516 /nfs/dbraw/zinc/85/35/16/637853516.db2.gz CWABJTHWTPPIQK-NVXWUHKLSA-N 0 0 309.406 2.078 10 10 DECERN CN(Cc1ccccc1O)C(=O)Nc1cnn(-c2ncccn2)c1 ZINC000072562222 649442673 /nfs/dbraw/zinc/44/26/73/649442673.db2.gz XLPMDXIYCGXWHG-UHFFFAOYSA-N 0 0 324.344 2.032 10 10 DECERN CCC(C)(C)NC(=O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000007354827 651885495 /nfs/dbraw/zinc/88/54/95/651885495.db2.gz AMFLHWVLXWKKBB-UHFFFAOYSA-N 0 0 319.449 2.122 10 10 DECERN COc1ccc(O)c(CNC(=O)NCc2cccc(C)n2)c1 ZINC000114590173 651974776 /nfs/dbraw/zinc/97/47/76/651974776.db2.gz AHWOWMUVBNQHIT-UHFFFAOYSA-N 0 0 301.346 2.104 10 10 DECERN COc1ccc(N2CCN(C(=O)[C@H]3CC[C@H](C)O3)CC2)cc1F ZINC000120571249 684098036 /nfs/dbraw/zinc/09/80/36/684098036.db2.gz KROZYWMBWVFYRM-BLLLJJGKSA-N 0 0 322.380 2.050 10 10 DECERN COc1cccc(CNC(=O)N(C)Cc2ccccc2O)n1 ZINC000129234932 684177522 /nfs/dbraw/zinc/17/75/22/684177522.db2.gz RMCNSFFSSVJBAJ-UHFFFAOYSA-N 0 0 301.346 2.137 10 10 DECERN CC(=O)c1cc(Cl)cc(CN2CCN(C3CC3)C(=O)C2)c1O ZINC000750056858 791971522 /nfs/dbraw/zinc/97/15/22/791971522.db2.gz KSQVLQUTHNZPJM-UHFFFAOYSA-N 0 0 322.792 2.055 10 10 DECERN C[C@H]([NH2+]CC[C@H]1CCCS1(=O)=O)c1cc(F)ccc1O ZINC000714360495 792310856 /nfs/dbraw/zinc/31/08/56/792310856.db2.gz VFUATKGSFSWTJG-CMPLNLGQSA-N 0 0 301.383 2.149 10 10 DECERN [O-]c1c(F)cc(Br)cc1C[NH2+]C1CC(CO)C1 ZINC000715719782 792508592 /nfs/dbraw/zinc/50/85/92/792508592.db2.gz UXQVAYUOJKJJSI-UHFFFAOYSA-N 0 0 304.159 2.154 10 10 DECERN CN1CCOC[C@@H]1C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000700246579 1086312429 /nfs/dbraw/zinc/31/24/29/1086312429.db2.gz ZOQYKDYYCPGCKK-NSHDSACASA-N 0 0 305.205 2.119 10 10 DECERN COC(=O)/C=C/c1ccc(N2CCC(=O)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000275365057 290850983 /nfs/dbraw/zinc/85/09/83/290850983.db2.gz MGTXWRWLWZDITK-DUMNWFOQSA-N 0 0 318.329 2.196 10 10 DECERN CCN(CC)c1ccc(CNc2ccc(C(=O)NC)nn2)cc1 ZINC000080598933 192171477 /nfs/dbraw/zinc/17/14/77/192171477.db2.gz CZCFASHXERLSNG-UHFFFAOYSA-N 0 0 313.405 2.295 10 10 DECERN CCOC(=O)CC[C@H](C)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000089689943 192843942 /nfs/dbraw/zinc/84/39/42/192843942.db2.gz AIZNASWAPDLDFO-ZDUSSCGKSA-N 0 0 321.421 2.284 10 10 DECERN O=C1/C(=C/c2nc3ccccc3[nH]2)SC(=S)N1CCCO ZINC000016904817 182063634 /nfs/dbraw/zinc/06/36/34/182063634.db2.gz RINPYZOGLSSWRS-FLIBITNWSA-N 0 0 319.411 2.147 10 10 DECERN COc1ccc([C@@H](O)COc2ccc(N)cc2)c(OC)c1OC ZINC000040352084 183056444 /nfs/dbraw/zinc/05/64/44/183056444.db2.gz MFKQSQHLWKVZMK-AWEZNQCLSA-N 0 0 319.357 2.407 10 10 DECERN CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])CC2 ZINC000185995177 402396233 /nfs/dbraw/zinc/39/62/33/402396233.db2.gz OBUHWOUBEKKVOF-JQWIXIFHSA-N 0 0 304.369 2.351 10 10 DECERN CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1[O-])CC2 ZINC000187777074 402511324 /nfs/dbraw/zinc/51/13/24/402511324.db2.gz AEFYQQHYRVOUNY-VHSXEESVSA-N 0 0 322.359 2.490 10 10 DECERN CCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(F)c(F)c1[O-])CC2 ZINC000187777123 402511406 /nfs/dbraw/zinc/51/14/06/402511406.db2.gz AEFYQQHYRVOUNY-ZJUUUORDSA-N 0 0 322.359 2.490 10 10 DECERN O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1CCCC[C@@H]1O ZINC000170896221 402539345 /nfs/dbraw/zinc/53/93/45/402539345.db2.gz DYAHWDVHADPCNQ-SJORKVTESA-N 0 0 317.433 2.390 10 10 DECERN CCS(=O)(=O)c1ccccc1C(=O)N1CCS[C@@H](C)C1 ZINC000171575768 402596357 /nfs/dbraw/zinc/59/63/57/402596357.db2.gz ZXRDVHOZGOESJH-NSHDSACASA-N 0 0 313.444 2.058 10 10 DECERN CC(=O)c1cc(F)cc(CN2CCc3cc[nH]c(=O)c3C2)c1O ZINC000276992642 403196583 /nfs/dbraw/zinc/19/65/83/403196583.db2.gz UWYAAAYUDQSJMX-UHFFFAOYSA-N 0 0 316.332 2.393 10 10 DECERN Cc1cc(N2CC[NH+](Cc3cccc(Cl)c3[O-])CC2)n[nH]1 ZINC000189019766 225041301 /nfs/dbraw/zinc/04/13/01/225041301.db2.gz ZNCZRDVHRZNOKC-UHFFFAOYSA-N 0 0 306.797 2.399 10 10 DECERN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000191255544 225107027 /nfs/dbraw/zinc/10/70/27/225107027.db2.gz GCFMANJQOLTNDB-LLVKDONJSA-N 0 0 314.788 2.091 10 10 DECERN O=C1N[C@H](c2cc(Cl)c3ccccc3c2O)N2CCOC[C@H]12 ZINC000091516638 280299476 /nfs/dbraw/zinc/29/94/76/280299476.db2.gz CKOQGDKGAYYYJT-HIFRSBDPSA-N 0 0 318.760 2.028 10 10 DECERN NC(=O)[C@@H]1C[C@@H](F)CN1Cc1ccc(N2CCCCC2)cc1 ZINC000284706833 303312656 /nfs/dbraw/zinc/31/26/56/303312656.db2.gz RDTZROBNHKKCQV-ZBFHGGJFSA-N 0 0 305.397 2.075 10 10 DECERN Cc1cc(C(=O)Cn2nnnc2C)c(C)n1-c1ccc(F)cc1 ZINC000131635547 526217371 /nfs/dbraw/zinc/21/73/71/526217371.db2.gz HPXZZUHDSULKHQ-UHFFFAOYSA-N 0 0 313.336 2.411 10 10 DECERN COc1ccc(N2CCCN(C(=O)[C@@H]3CC[C@@H](C)O3)CC2)cc1 ZINC000178127040 625133490 /nfs/dbraw/zinc/13/34/90/625133490.db2.gz ZMWGPUZZKLIUER-PBHICJAKSA-N 0 0 318.417 2.301 10 10 DECERN CCN(C[C@H](O)COC[C@@H]1CCCO1)c1ccc(OC)cc1 ZINC000747681519 638463838 /nfs/dbraw/zinc/46/38/38/638463838.db2.gz AOULTPGMXBMNSN-RDJZCZTQSA-N 0 0 309.406 2.078 10 10 DECERN COc1cccc(CNC(=O)NC[C@H](C)c2ccncc2)c1O ZINC000749614131 638665991 /nfs/dbraw/zinc/66/59/91/638665991.db2.gz VHRNZNDVAAHVAY-LBPRGKRZSA-N 0 0 315.373 2.399 10 10 DECERN CC1=NN2C(=NC(=O)/C(=C/c3ccc4c(c3)OCO4)C2=N)S1 ZINC000222375439 646444975 /nfs/dbraw/zinc/44/49/75/646444975.db2.gz QRDRDLINHOCRSH-INARMLFKSA-N 0 0 314.326 2.054 10 10 DECERN O=C(NCc1ccc(O)c(O)c1)c1ccc(-c2ncon2)cc1 ZINC000182514312 648929517 /nfs/dbraw/zinc/92/95/17/648929517.db2.gz SCGXBQARHJQKIS-UHFFFAOYSA-N 0 0 311.297 2.078 10 10 DECERN Cc1ccc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c(C)n1 ZINC000183433437 649072806 /nfs/dbraw/zinc/07/28/06/649072806.db2.gz FLGCMEBVRSLWEC-LLVKDONJSA-N 0 0 300.358 2.471 10 10 DECERN CCN1CC[C@H]([NH2+]Cc2cc(Br)cc(F)c2[O-])C1 ZINC000715716567 792507652 /nfs/dbraw/zinc/50/76/52/792507652.db2.gz GXQDIGLWZHGMRF-NSHDSACASA-N 0 0 317.202 2.478 10 10 DECERN O=C([O-])[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000691413256 954683469 /nfs/dbraw/zinc/68/34/69/954683469.db2.gz JPEBWHDFABVPMI-SECBINFHSA-N 0 0 300.152 2.061 10 10 DECERN CN(C[C@@H]1CCCO1)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000155713999 529950603 /nfs/dbraw/zinc/95/06/03/529950603.db2.gz WMRVQMLFAXDGLK-KRWDZBQOSA-N 0 0 315.417 2.383 10 10 DECERN Oc1ccc(C2=NN[C@@H](c3ccc4c(c3)OCCO4)C2)c(O)c1 ZINC000073169931 191288173 /nfs/dbraw/zinc/28/81/73/191288173.db2.gz YAWLOJFZQFWGHI-CYBMUJFWSA-N 0 0 312.325 2.308 10 10 DECERN CCOc1ccccc1/C=C1/SC(=S)N(NC(C)=O)C1=O ZINC000005718871 181275949 /nfs/dbraw/zinc/27/59/49/181275949.db2.gz HPZFRLBSNWLUIP-XYOKQWHBSA-N 0 0 322.411 2.338 10 10 DECERN COC1(OC)COc2cc(O)ccc2-c2cc(O)c(O)cc2C1 ZINC000014681313 181965655 /nfs/dbraw/zinc/96/56/55/181965655.db2.gz SVSDBMDJWUPWHK-UHFFFAOYSA-N 0 0 318.325 2.394 10 10 biogenic,in-vitro DECERN CC[C@H](Oc1ccccc1C=C1SC(N)=NC1=O)C(C)=O ZINC000016905121 182064025 /nfs/dbraw/zinc/06/40/25/182064025.db2.gz TVDCTHKQHINVQD-LFTLCWSBSA-N 0 0 304.371 2.362 10 10 DECERN COC(=O)[C@@H]1C[C@H](OC)CN1Cc1cc(Cl)cc(C)c1O ZINC000245856426 533069315 /nfs/dbraw/zinc/06/93/15/533069315.db2.gz NNNDWWKTEIEYBN-STQMWFEESA-N 0 0 313.781 2.116 10 10 DECERN COc1cc([N+](=O)[O-])c(N2CC[C@@H](C)[C@H](OC)C2)cc1OC ZINC000275970000 130420799 /nfs/dbraw/zinc/42/07/99/130420799.db2.gz HHGLSXSRDYGXOG-MEBBXXQBSA-N 0 0 310.350 2.473 10 10 DECERN O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)SC(=S)N1CCCO ZINC000003069454 401721433 /nfs/dbraw/zinc/72/14/33/401721433.db2.gz QSHZLJJNIQDNKN-FLIBITNWSA-N 0 0 324.383 2.178 10 10 DECERN C[C@@H]1C[C@@H]1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000075982560 401776026 /nfs/dbraw/zinc/77/60/26/401776026.db2.gz HPJMBBSPPSKPDJ-CJNGLKHVSA-N 0 0 303.406 2.073 10 10 DECERN CCCN(CCC)c1ccc([C@@H]2NC(=O)[C@H]3COCCN32)cc1 ZINC000093885006 402021426 /nfs/dbraw/zinc/02/14/26/402021426.db2.gz KZPVHQSRTAAUIL-IAGOWNOFSA-N 0 0 317.433 2.142 10 10 DECERN C[C@@H]1OCCC[C@@H]1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000188482961 402520447 /nfs/dbraw/zinc/52/04/47/402520447.db2.gz OHBDMAWJMMZSKW-JSGCOSHPSA-N 0 0 304.390 2.293 10 10 DECERN COc1cc([N+](=O)[O-])c(N2CC[C@H](C)[C@H](OC)C2)cc1OC ZINC000275970005 286248718 /nfs/dbraw/zinc/24/87/18/286248718.db2.gz HHGLSXSRDYGXOG-ZUZCIYMTSA-N 0 0 310.350 2.473 10 10 DECERN OCC1CCN(c2ccc(CNCc3cocn3)cc2)CC1 ZINC000192294738 402721541 /nfs/dbraw/zinc/72/15/41/402721541.db2.gz FPQIRNVHQZHZDC-UHFFFAOYSA-N 0 0 301.390 2.173 10 10 DECERN CCN(CC)c1ccc(CNC(=O)NCc2noc(C)n2)cc1 ZINC000175642261 402823344 /nfs/dbraw/zinc/82/33/44/402823344.db2.gz IZEZGASEEPIFIP-UHFFFAOYSA-N 0 0 317.393 2.224 10 10 DECERN C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000282233542 403135063 /nfs/dbraw/zinc/13/50/63/403135063.db2.gz FPUVMRRAENUHCJ-CPCISQLKSA-N 0 0 303.189 2.456 10 10 DECERN CN(C)c1ccc(CN2Cc3ccccc3C[C@@H]2C(N)=O)cc1 ZINC000119738324 337395016 /nfs/dbraw/zinc/39/50/16/337395016.db2.gz BMIVXWTZUKQPMB-GOSISDBHSA-N 0 0 309.413 2.165 10 10 DECERN CCN(CC)c1ccc(CNC(=O)N[C@@H](C)[C@@H](C)CO)cc1 ZINC000172607896 520899998 /nfs/dbraw/zinc/89/99/98/520899998.db2.gz DBCCKGFUYVUUBH-KBPBESRZSA-N 0 0 307.438 2.349 10 10 DECERN O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1CCCOC1 ZINC000171597798 526681464 /nfs/dbraw/zinc/68/14/64/526681464.db2.gz QGQFULOEZOTMOZ-OAHLLOKOSA-N 0 0 303.406 2.265 10 10 DECERN CCCN(Cc1ccccc1O)C(=O)NCc1ccnn1C ZINC000066699896 625351231 /nfs/dbraw/zinc/35/12/31/625351231.db2.gz AQJJDQGHGMRONA-UHFFFAOYSA-N 0 0 302.378 2.248 10 10 DECERN O=C(NCc1ccn(C2CCCC2)n1)c1cccc(O)c1O ZINC000187199382 637254986 /nfs/dbraw/zinc/25/49/86/637254986.db2.gz WJUWQEOIGGHWQR-UHFFFAOYSA-N 0 0 301.346 2.339 10 10 DECERN COc1ccc(O)c(CNC(=O)NC[C@H](C)c2ccncc2)c1 ZINC000749571395 638660978 /nfs/dbraw/zinc/66/09/78/638660978.db2.gz QFDCOYXXFYHTML-LBPRGKRZSA-N 0 0 315.373 2.399 10 10 DECERN Cc1ccc(C(=O)NCc2ccnc(OC(F)F)c2)c(O)c1O ZINC000803671275 645678911 /nfs/dbraw/zinc/67/89/11/645678911.db2.gz BINQIZIBKDHZTG-UHFFFAOYSA-N 0 0 324.283 2.333 10 10 DECERN C[C@H]1C[C@@H]1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000170806422 646668050 /nfs/dbraw/zinc/66/80/50/646668050.db2.gz OXJQBZABLIRHOF-GUYCJALGSA-N 0 0 317.433 2.103 10 10 DECERN Cn1c(=O)sc2cc(C=C3SC(=S)NC3=O)ccc21 ZINC000191490920 684430038 /nfs/dbraw/zinc/43/00/38/684430038.db2.gz SDYXIUGQIFARMC-WEVVVXLNSA-N 0 0 308.409 2.089 10 10 DECERN CC(C)CC[C@@](C)(O)CNC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588406751 777082373 /nfs/dbraw/zinc/08/23/73/777082373.db2.gz JFXDLAKLUBTZQM-XTKXOIQPSA-N 0 0 307.390 2.414 10 10 DECERN C[C@H](CO)[C@H](C)[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000715779814 792510861 /nfs/dbraw/zinc/51/08/61/792510861.db2.gz UMXQACACBCBNSD-SFYZADRCSA-N 0 0 306.175 2.400 10 10 DECERN CCOC(=O)CCN1C(=O)/C(=C/c2cccnc2)SC1=S ZINC000040888577 183146305 /nfs/dbraw/zinc/14/63/05/183146305.db2.gz VMHYSECYUGSBBI-FLIBITNWSA-N 0 0 322.411 2.236 10 10 DECERN COCc1ccc2c(c1O)C(=O)c1ccc(O)c(OC)c1C2=O ZINC000014811204 401813380 /nfs/dbraw/zinc/81/33/80/401813380.db2.gz KKHLOCIPXRSWKM-UHFFFAOYSA-N 0 0 314.293 2.028 10 10 biogenic,in-vitro DECERN C[C@H]1CN(Cc2c(O)ccc3ccccc32)CCS1(=O)=O ZINC000151589058 402045202 /nfs/dbraw/zinc/04/52/02/402045202.db2.gz KVKHFPLZWKKWMK-LBPRGKRZSA-N 0 0 305.399 2.164 10 10 DECERN Cn1ccnc1CN(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000070976688 402268702 /nfs/dbraw/zinc/26/87/02/402268702.db2.gz WPXAZDJPHOZJGH-OAHLLOKOSA-N 0 0 301.390 2.307 10 10 DECERN COc1ccc(O)c(CN2CCN(c3cccs3)C(=O)C2)c1 ZINC000185670823 402368633 /nfs/dbraw/zinc/36/86/33/402368633.db2.gz JKEQSBGDYYGNAC-UHFFFAOYSA-N 0 0 318.398 2.311 10 10 DECERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1cccc(O)c1O ZINC000187076151 402481952 /nfs/dbraw/zinc/48/19/52/402481952.db2.gz XEZBYYOAQLUFIJ-CYBMUJFWSA-N 0 0 315.373 2.425 10 10 DECERN CCN(CC)c1ccc(CNC(=O)NCC2(C)COC2)cc1 ZINC000171851286 402628611 /nfs/dbraw/zinc/62/86/11/402628611.db2.gz XTFYHKYUSCHYFV-UHFFFAOYSA-N 0 0 305.422 2.369 10 10 DECERN CN(C)c1ccc(CN(C)C(=O)CCc2ccnn2C)cc1 ZINC000163710951 522167348 /nfs/dbraw/zinc/16/73/48/522167348.db2.gz MWEXJQRTFQRSCL-UHFFFAOYSA-N 0 0 300.406 2.077 10 10 DECERN CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)Cc2ccc(N)cc2)C1 ZINC000236942470 523640956 /nfs/dbraw/zinc/64/09/56/523640956.db2.gz OMEDFZYGGAPILW-PZPWOCDFSA-N 0 0 308.447 2.007 10 10 DECERN CO[C@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)CC[C@H]1C ZINC000190412987 524005693 /nfs/dbraw/zinc/00/56/93/524005693.db2.gz WKONKBDPZVEHGZ-CJNGLKHVSA-N 0 0 305.422 2.319 10 10 DECERN CO[C@H]1C[C@H](c2nc(C)no2)N(Cc2cccc(C)c2O)C1 ZINC000190143166 524021833 /nfs/dbraw/zinc/02/18/33/524021833.db2.gz WZLIOUKTDHQVEZ-UONOGXRCSA-N 0 0 303.362 2.354 10 10 DECERN Cc1cc(Cl)cc(CN(CCS(C)(=O)=O)C2CC2)c1O ZINC000180576885 524860937 /nfs/dbraw/zinc/86/09/37/524860937.db2.gz XHLRSYMZWUPCCE-UHFFFAOYSA-N 0 0 317.838 2.363 10 10 DECERN Nc1ccc(CCNS(=O)(=O)CCCC(F)(F)F)cc1 ZINC000214861567 527481048 /nfs/dbraw/zinc/48/10/48/527481048.db2.gz GRVDVQUSNJBUGS-UHFFFAOYSA-N 0 0 310.341 2.073 10 10 DECERN CN(C)c1ccc(CNC(=O)/C=C/c2ccncn2)cc1F ZINC000183408748 625305173 /nfs/dbraw/zinc/30/51/73/625305173.db2.gz BVGGBEMZBFSAGF-GQCTYLIASA-N 0 0 300.337 2.011 10 10 DECERN CCOc1cccnc1C(=O)NCc1cccc(OC)c1O ZINC000178190240 625154168 /nfs/dbraw/zinc/15/41/68/625154168.db2.gz ASOUJDHHNAIXIO-UHFFFAOYSA-N 0 0 302.330 2.125 10 10 DECERN COC(C)(C)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000171595189 646706653 /nfs/dbraw/zinc/70/66/53/646706653.db2.gz WQBGORUCWRUVBK-UHFFFAOYSA-N 0 0 308.447 2.281 10 10 DECERN C[C@@H]1CC[C@H](C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)O1 ZINC000124981463 684140980 /nfs/dbraw/zinc/14/09/80/684140980.db2.gz ULWJITABVDVRQA-RHSMWYFYSA-N 0 0 318.417 2.049 10 10 DECERN C[C@@H](CC[NH2+]Cc1cccc(Br)c1[O-])[S@@](C)=O ZINC000129324114 684178456 /nfs/dbraw/zinc/17/84/56/684178456.db2.gz LORBURSLYNZPNL-XYZCENFISA-N 0 0 320.252 2.401 10 10 DECERN O=C(NCc1ccc(O)c(O)c1)c1coc(Br)c1 ZINC000159126895 684309974 /nfs/dbraw/zinc/30/99/74/684309974.db2.gz DNDITRJQKSIDCI-UHFFFAOYSA-N 0 0 312.119 2.383 10 10 DECERN Cc1cc(CCNC(=O)c2cccc(O)c2O)cc(C)c1O ZINC000188687362 684360534 /nfs/dbraw/zinc/36/05/34/684360534.db2.gz UAOGOGGGRGIQGE-UHFFFAOYSA-N 0 0 301.342 2.393 10 10 DECERN C[C@H](COCc1ccccc1)NC(=O)c1cccc(O)c1O ZINC000193104710 684464880 /nfs/dbraw/zinc/46/48/80/684464880.db2.gz ITKJQZYAZNUCHX-GFCCVEGCSA-N 0 0 301.342 2.433 10 10 DECERN COC(=O)C[C@@H](NC(=O)Cc1ccc(N)cc1)c1ccccc1 ZINC000195140371 685088808 /nfs/dbraw/zinc/08/88/08/685088808.db2.gz DTLOWRHKEUDAOM-MRXNPFEDSA-N 0 0 312.369 2.232 10 10 DECERN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](C)[C@H]2CCCO2)c1 ZINC000246146007 685124438 /nfs/dbraw/zinc/12/44/38/685124438.db2.gz OOEDRGRFQYXKSF-ZIBATOQPSA-N 0 0 308.378 2.329 10 10 DECERN