smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000269231976 249378587 /nfs/dbraw/zinc/37/85/87/249378587.db2.gz INFSOXAYRKKZKG-NWDGAFQWSA-N 0 3 343.221 1.226 20 10 EDCDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NCc1ccc2c(c1)CCN2C ZINC000372489779 250221348 /nfs/dbraw/zinc/22/13/48/250221348.db2.gz HYLCIZQBWUSXRW-DYVFJYSZSA-N 0 3 328.460 1.961 20 10 EDCDHN CN(C)c1ccc(CN2CCC[C@H](n3cnc(C(N)=O)n3)C2)cc1 ZINC000373874298 250246630 /nfs/dbraw/zinc/24/66/30/250246630.db2.gz ZNOJGJZTKHWINJ-HNNXBMFYSA-N 0 3 328.420 1.280 20 10 EDCDHN COc1ccc(N2CCCN(CCCN3C(=O)CNC3=O)CC2)cc1 ZINC000066422916 441530722 /nfs/dbraw/zinc/53/07/22/441530722.db2.gz HFBHJUVYDNCKEV-UHFFFAOYSA-N 0 3 346.431 1.149 20 10 EDCDHN Cc1cccc(C[N@@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)c1[O-] ZINC000179719043 442494583 /nfs/dbraw/zinc/49/45/83/442494583.db2.gz PFVAEGOMZFCSDF-OAHLLOKOSA-N 0 3 326.462 1.994 20 10 EDCDHN Cc1cccc(C[N@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)c1[O-] ZINC000179719043 442494586 /nfs/dbraw/zinc/49/45/86/442494586.db2.gz PFVAEGOMZFCSDF-OAHLLOKOSA-N 0 3 326.462 1.994 20 10 EDCDHN CC[C@@H](C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1)N(C)C ZINC000268887360 443137248 /nfs/dbraw/zinc/13/72/48/443137248.db2.gz ZEOXDTYZGWVDTO-SFHVURJKSA-N 0 3 348.491 1.274 20 10 EDCDHN C[C@H](NC[C@@H]1CCS(=O)(=O)C1)c1ccc(N2CCOCC2)cc1 ZINC000268776844 443105112 /nfs/dbraw/zinc/10/51/12/443105112.db2.gz WDNCMHWFYFWBJH-GJZGRUSLSA-N 0 3 338.473 1.609 20 10 EDCDHN CC[C@@H](C)[C@H](N)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000236951779 443152656 /nfs/dbraw/zinc/15/26/56/443152656.db2.gz AMDKMFZUPFGELV-PXAZEXFGSA-N 0 3 337.439 1.776 20 10 EDCDHN COc1ccc(O)c(CN2CCC(N(C)S(C)(=O)=O)CC2)c1 ZINC000271698837 443510030 /nfs/dbraw/zinc/51/00/30/443510030.db2.gz CEMIENQWXOIBAT-UHFFFAOYSA-N 0 3 328.434 1.257 20 10 EDCDHN C[N@@H+]1CCC[C@H]1C(=O)N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000271186224 443494978 /nfs/dbraw/zinc/49/49/78/443494978.db2.gz NGXJVIBWSYGVBQ-HNNXBMFYSA-N 0 3 337.851 1.784 20 10 EDCDHN C[N@H+]1CCC[C@H]1C(=O)N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000271186224 443494980 /nfs/dbraw/zinc/49/49/80/443494980.db2.gz NGXJVIBWSYGVBQ-HNNXBMFYSA-N 0 3 337.851 1.784 20 10 EDCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)c([O-])c1C ZINC000273542084 443579224 /nfs/dbraw/zinc/57/92/24/443579224.db2.gz YLDILGQWASDIOG-KBPBESRZSA-N 0 3 326.462 1.941 20 10 EDCDHN COc1ccc(O)c(CN[C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)c1 ZINC000284846708 443789905 /nfs/dbraw/zinc/78/99/05/443789905.db2.gz ODBGPIUSMHKTEH-CXAGYDPISA-N 0 3 330.388 1.196 20 10 EDCDHN COc1ccc(O)c(CN2CCC[C@H](CN(C)S(C)(=O)=O)C2)c1 ZINC000289309394 444103650 /nfs/dbraw/zinc/10/36/50/444103650.db2.gz DNWOSQWDCDRZIN-CYBMUJFWSA-N 0 3 342.461 1.504 20 10 EDCDHN CCOc1cccc(CN2CCC[C@H](n3cnc(C(N)=O)n3)C2)c1O ZINC000364677196 445945273 /nfs/dbraw/zinc/94/52/73/445945273.db2.gz YWTHXGCPMJEKGZ-ZDUSSCGKSA-N 0 3 345.403 1.318 20 10 EDCDHN C[C@H](N)C(=O)NC[C@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 ZINC000366320443 446147873 /nfs/dbraw/zinc/14/78/73/446147873.db2.gz DOSPJUSJOZLLLD-WDEREUQCSA-N 0 3 331.338 1.875 20 10 EDCDHN COc1cc([O-])c(C[N@@H+]2CC[C@@]3(C2)CCCN(C)C3=O)cc1OC ZINC000376386611 446467187 /nfs/dbraw/zinc/46/71/87/446467187.db2.gz OGMYYKFUHXUNPQ-GOSISDBHSA-N 0 3 334.416 1.854 20 10 EDCDHN COc1cc([O-])c(C[N@H+]2CC[C@@]3(C2)CCCN(C)C3=O)cc1OC ZINC000376386611 446467191 /nfs/dbraw/zinc/46/71/91/446467191.db2.gz OGMYYKFUHXUNPQ-GOSISDBHSA-N 0 3 334.416 1.854 20 10 EDCDHN CCN1CCO[C@@H](CN2CCN(Cc3cc(C)ccc3O)CC2)C1 ZINC000371378851 446818923 /nfs/dbraw/zinc/81/89/23/446818923.db2.gz KVQVHWICLTTXKA-GOSISDBHSA-N 0 3 333.476 1.539 20 10 EDCDHN COC(=O)c1cn([C@@H]2CCC[N@H+](Cc3cc(C)ccc3[O-])C2)nn1 ZINC000372034806 446983454 /nfs/dbraw/zinc/98/34/54/446983454.db2.gz YGLSOBPQPGCCNQ-CQSZACIVSA-N 0 3 330.388 1.916 20 10 EDCDHN COC(=O)c1cn([C@@H]2CCC[N@@H+](Cc3cc(C)ccc3[O-])C2)nn1 ZINC000372034806 446983463 /nfs/dbraw/zinc/98/34/63/446983463.db2.gz YGLSOBPQPGCCNQ-CQSZACIVSA-N 0 3 330.388 1.916 20 10 EDCDHN COC(=O)c1cn([C@@H]2CCCN(Cc3cc(C)ccc3O)C2)nn1 ZINC000372034806 446983468 /nfs/dbraw/zinc/98/34/68/446983468.db2.gz YGLSOBPQPGCCNQ-CQSZACIVSA-N 0 3 330.388 1.916 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCC3(CCC3)C1)cc2=O ZINC000123315721 528317241 /nfs/dbraw/zinc/31/72/41/528317241.db2.gz REDRWWIIXVXSNA-UHFFFAOYSA-N 0 3 330.388 1.988 20 10 EDCDHN CN(C)c1ccc(CNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000727471882 578529552 /nfs/dbraw/zinc/52/95/52/578529552.db2.gz POYUZLVDWNJGIW-SJORKVTESA-N 0 3 332.448 1.415 20 10 EDCDHN CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@@H]2CCCO)cc1 ZINC000729542815 578581677 /nfs/dbraw/zinc/58/16/77/578581677.db2.gz WQVAVXQHRBTLFX-GOSISDBHSA-N 0 3 333.476 1.948 20 10 EDCDHN CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@H]2CCCO)cc1 ZINC000729542816 578581745 /nfs/dbraw/zinc/58/17/45/578581745.db2.gz WQVAVXQHRBTLFX-SFHVURJKSA-N 0 3 333.476 1.948 20 10 EDCDHN C[C@H]([NH2+]C[C@]1(O)CCN(C)C1)c1ccc(Br)cc1[O-] ZINC000762787443 580083188 /nfs/dbraw/zinc/08/31/88/580083188.db2.gz MNRMFESAJOQIBC-IINYFYTJSA-N 0 3 329.238 1.872 20 10 EDCDHN COC(=O)c1cn([C@H]2CCCN(Cc3c(O)cccc3OC)C2)nn1 ZINC000762795297 580083662 /nfs/dbraw/zinc/08/36/62/580083662.db2.gz SWYDUJWBLFUIFN-LBPRGKRZSA-N 0 3 346.387 1.616 20 10 EDCDHN CCOC(=O)CC[N@@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)CC1CC1 ZINC000768438887 580212673 /nfs/dbraw/zinc/21/26/73/580212673.db2.gz AAJJNUJOAYNGFR-MRXNPFEDSA-N 0 3 335.400 1.983 20 10 EDCDHN CCOC(=O)CC[N@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)CC1CC1 ZINC000768438887 580212674 /nfs/dbraw/zinc/21/26/74/580212674.db2.gz AAJJNUJOAYNGFR-MRXNPFEDSA-N 0 3 335.400 1.983 20 10 EDCDHN CC(C)CNC(=O)C1CC[NH+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000768440876 580212773 /nfs/dbraw/zinc/21/27/73/580212773.db2.gz HEYFZZWHLSSKMU-KRWDZBQOSA-N 0 3 348.443 1.802 20 10 EDCDHN COc1ccc(O)c([C@H](C)N[C@H](C)C(=O)N(C)CC(=O)NC2CC2)c1 ZINC000775369790 580389392 /nfs/dbraw/zinc/38/93/92/580389392.db2.gz QWONHPMBSGKMIN-NWDGAFQWSA-N 0 3 349.431 1.177 20 10 EDCDHN CN(C)C(=O)N1CCN(Cc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC000775652840 580396411 /nfs/dbraw/zinc/39/64/11/580396411.db2.gz VZAMEPHQIHAOET-UHFFFAOYSA-N 0 3 345.491 1.238 20 10 EDCDHN CN1CCN(c2ccc(CN3CCN(CC(C)(C)O)CC3)cc2)CC1 ZINC000775674480 580396849 /nfs/dbraw/zinc/39/68/49/580396849.db2.gz DGGMXUUXHXCLLG-UHFFFAOYSA-N 0 3 346.519 1.327 20 10 EDCDHN COCCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)c1cc(OC)ccc1[O-] ZINC000776867698 580430231 /nfs/dbraw/zinc/43/02/31/580430231.db2.gz DZPUZZNFJFGSMZ-ISTRZQFTSA-N 0 3 325.405 1.872 20 10 EDCDHN COC[C@@H](C[NH2+]Cc1cc(Br)cc(OC)c1[O-])OC ZINC000781417300 580548994 /nfs/dbraw/zinc/54/89/94/580548994.db2.gz XVGONVPUHZLLMZ-LLVKDONJSA-N 0 3 334.210 1.914 20 10 EDCDHN COCCN1CCC(NC(=O)NCc2ccc(OC)cc2O)CC1 ZINC000792920855 580830938 /nfs/dbraw/zinc/83/09/38/580830938.db2.gz DVEFGPSTCNMKRU-UHFFFAOYSA-N 0 3 337.420 1.311 20 10 EDCDHN CCOCc1cc(CNC2CC(NS(C)(=O)=O)C2)ccc1OC ZINC000800891523 581061047 /nfs/dbraw/zinc/06/10/47/581061047.db2.gz LYNGJNGOBUAVMQ-UHFFFAOYSA-N 0 3 342.461 1.402 20 10 EDCDHN Cc1nc(CNC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)no1 ZINC000893218537 590717804 /nfs/dbraw/zinc/71/78/04/590717804.db2.gz FKAVKOLTUVSEFY-OAHLLOKOSA-N 0 3 346.435 1.546 20 10 EDCDHN COc1ccc(N2CCN(CCNc3nc(C)cc(N)n3)CC2)cc1 ZINC000892083401 590790510 /nfs/dbraw/zinc/79/05/10/590790510.db2.gz GWTFGGYWMNOECX-UHFFFAOYSA-N 0 3 342.447 1.610 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cnc3n2CCC3)N(C)C)cc1 ZINC000891245528 591014843 /nfs/dbraw/zinc/01/48/43/591014843.db2.gz GAJIDQLIJIZCDZ-MRXNPFEDSA-N 0 3 341.459 1.928 20 10 EDCDHN C=CC(=O)N(CC)CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891249306 591018008 /nfs/dbraw/zinc/01/80/08/591018008.db2.gz QORQJNFENAQJMM-KRWDZBQOSA-N 0 3 346.475 1.506 20 10 EDCDHN CC[C@@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C(=O)OC ZINC000891250047 591018771 /nfs/dbraw/zinc/01/87/71/591018771.db2.gz YLUSLQNFJPOFPS-JKSUJKDBSA-N 0 3 335.448 1.671 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)COC[C@@H]2CCCO2)N(C)C)cc1 ZINC000891251920 591020381 /nfs/dbraw/zinc/02/03/81/591020381.db2.gz IBVMQYZTAAHKNZ-ROUUACIJSA-N 0 3 349.475 1.667 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)COC2CCOCC2)N(C)C)cc1 ZINC000891253117 591020879 /nfs/dbraw/zinc/02/08/79/591020879.db2.gz QUEGNTMMGLYSNR-GOSISDBHSA-N 0 3 349.475 1.667 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)C2(C(N)=O)CCC2)N(C)C)cc1 ZINC000891253105 591021265 /nfs/dbraw/zinc/02/12/65/591021265.db2.gz QODFIDRSDQLVKI-OAHLLOKOSA-N 0 3 332.448 1.127 20 10 EDCDHN CCOC(=O)[C@@H]1C[C@H]1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891258593 591023072 /nfs/dbraw/zinc/02/30/72/591023072.db2.gz VUDPRGMGEHVNLA-BRWVUGGUSA-N 0 3 347.459 1.671 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)NCc2ccn(C)n2)N(C)C)cc1 ZINC000893928524 591140942 /nfs/dbraw/zinc/14/09/42/591140942.db2.gz LRJQRJFXJQEDJY-QGZVFWFLSA-N 0 3 344.463 1.588 20 10 EDCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1CCCN(CCN2CCOCC2)C1 ZINC000895687853 591249259 /nfs/dbraw/zinc/24/92/59/591249259.db2.gz CTRGIUGMPMCMHG-QGZVFWFLSA-N 0 3 337.439 1.418 20 10 EDCDHN CN(C)c1ccc([C@H](CN[C@H]2CCCS(=O)(=O)C2)N(C)C)cc1 ZINC000898449870 591353351 /nfs/dbraw/zinc/35/33/51/591353351.db2.gz KQULUTXRFDSMOV-RDJZCZTQSA-N 0 3 339.505 1.522 20 10 EDCDHN CCS(=O)(=O)C[C@H](C)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898450088 591353465 /nfs/dbraw/zinc/35/34/65/591353465.db2.gz MZFUJPHVVSPVDF-WMLDXEAASA-N 0 3 341.521 1.768 20 10 EDCDHN CN(C)c1ccc([C@@H](CNc2ccncc2C(N)=O)N(C)C)cc1 ZINC000897525084 591528996 /nfs/dbraw/zinc/52/89/96/591528996.db2.gz JTZVBIHWIQHAML-QGZVFWFLSA-N 0 3 327.432 1.383 20 10 EDCDHN COc1cc([O-])c(C[NH2+]CC2(C3(O)CCOCC3)CC2)cc1OC ZINC000896629075 591558154 /nfs/dbraw/zinc/55/81/54/591558154.db2.gz ACLWLFAPRSKNDD-UHFFFAOYSA-N 0 3 337.416 1.821 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)NCC[C@@H](O)C2CC2)N(C)C)cc1 ZINC000899095431 591676805 /nfs/dbraw/zinc/67/68/05/591676805.db2.gz KJVMUZHQRDGHMZ-QZTJIDSGSA-N 0 3 348.491 1.816 20 10 EDCDHN CC[C@H](O)CCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899101801 591682407 /nfs/dbraw/zinc/68/24/07/591682407.db2.gz MNSLFANLTONRDB-IRXDYDNUSA-N 0 3 336.480 1.816 20 10 EDCDHN CC[C@H](O)CCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899101799 591682823 /nfs/dbraw/zinc/68/28/23/591682823.db2.gz MNSLFANLTONRDB-DLBZAZTESA-N 0 3 336.480 1.816 20 10 EDCDHN C[C@@H](CCO)N(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899098013 591687235 /nfs/dbraw/zinc/68/72/35/591687235.db2.gz KLBATPGSPNEEIJ-WMLDXEAASA-N 0 3 336.480 1.768 20 10 EDCDHN C[C@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C1(CO)CC1 ZINC000899098448 591688422 /nfs/dbraw/zinc/68/84/22/591688422.db2.gz OMXVXJWVNQSANX-WMLDXEAASA-N 0 3 348.491 1.816 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)N2CCC[C@@H]2CCO)N(C)C)cc1 ZINC000899099299 591688711 /nfs/dbraw/zinc/68/87/11/591688711.db2.gz YMRWQZICLXFKDF-MSOLQXFVSA-N 0 3 348.491 1.912 20 10 EDCDHN COc1cc([O-])c(C[NH2+]CCN2C[C@@H]3CCCCN3C2=O)cc1OC ZINC000895345136 591722667 /nfs/dbraw/zinc/72/26/67/591722667.db2.gz XVUCFCOBMFFNHD-AWEZNQCLSA-N 0 3 349.431 1.789 20 10 EDCDHN CCN(CC)CC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000899473783 591817132 /nfs/dbraw/zinc/81/71/32/591817132.db2.gz YIZJYEDEUIAWLG-UHFFFAOYSA-N 0 3 346.475 1.346 20 10 EDCDHN CC1CCN(c2ccc(CNC[C@H](O)C3(O)CCOCC3)cc2)CC1 ZINC000905102085 592406228 /nfs/dbraw/zinc/40/62/28/592406228.db2.gz QBBKFLPEGYVIQS-IBGZPJMESA-N 0 3 348.487 1.915 20 10 EDCDHN O[C@@H](CNCc1cc(F)c(N2CCOCC2)c(F)c1)C1(O)CCC1 ZINC000905284495 592492188 /nfs/dbraw/zinc/49/21/88/592492188.db2.gz LSEVZLDVPCSVDK-HNNXBMFYSA-N 0 3 342.386 1.167 20 10 EDCDHN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C1CN(C)CCN(C)C1 ZINC000910558318 592877615 /nfs/dbraw/zinc/87/76/15/592877615.db2.gz OPVOLMPBOKSGQY-INIZCTEOSA-N 0 3 346.519 1.602 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNC(=O)c2c3c(nn2C)CCC3)cc1 ZINC000911667335 592973975 /nfs/dbraw/zinc/97/39/75/592973975.db2.gz QBILFCIEJFLNGD-OAHLLOKOSA-N 0 3 327.432 1.405 20 10 EDCDHN C[N@@H+]1CCC[C@@](O)(CC(=O)NCc2ccc3cccnc3c2[O-])C1 ZINC000911262087 592978508 /nfs/dbraw/zinc/97/85/08/592978508.db2.gz OGDKHRXUKPDMRH-GOSISDBHSA-N 0 3 329.400 1.403 20 10 EDCDHN C[N@H+]1CCC[C@@](O)(CC(=O)NCc2ccc3cccnc3c2[O-])C1 ZINC000911262087 592978511 /nfs/dbraw/zinc/97/85/11/592978511.db2.gz OGDKHRXUKPDMRH-GOSISDBHSA-N 0 3 329.400 1.403 20 10 EDCDHN CCN(CC)c1ccc(CN(C)CCN2C(=O)N[C@H](C)C2=O)cc1 ZINC000838785151 593216903 /nfs/dbraw/zinc/21/69/03/593216903.db2.gz CIMKUUHMECSFQJ-CQSZACIVSA-N 0 3 332.448 1.905 20 10 EDCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H]1C[C@]1(C)NC(=O)NC1=O ZINC000809705154 593356415 /nfs/dbraw/zinc/35/64/15/593356415.db2.gz OWNKUBPSIOOPLU-DIFFPNOSSA-N 0 3 333.388 1.353 20 10 EDCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H]1C[C@]1(C)NC(=O)NC1=O ZINC000809705154 593356417 /nfs/dbraw/zinc/35/64/17/593356417.db2.gz OWNKUBPSIOOPLU-DIFFPNOSSA-N 0 3 333.388 1.353 20 10 EDCDHN COc1ccc(N2CCN(C[C@H](O)CN3C[C@@H](C)[C@H]3C)CC2)cc1 ZINC000815163881 593618773 /nfs/dbraw/zinc/61/87/73/593618773.db2.gz RWTGYYKLLOINNH-NUJGCVRESA-N 0 3 333.476 1.518 20 10 EDCDHN CSC[C@@H](O)CNCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000818968250 593731134 /nfs/dbraw/zinc/73/11/34/593731134.db2.gz OZOLADUBZNEXNI-HOCLYGCPSA-N 0 3 337.489 1.202 20 10 EDCDHN CCOC[C@@H](O)CNCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000819033553 593734798 /nfs/dbraw/zinc/73/47/98/593734798.db2.gz QJJBYCKOBLFLJV-INIZCTEOSA-N 0 3 339.455 1.455 20 10 EDCDHN C[C@@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2)C[C@H](C)N1CCO ZINC000824926985 594098536 /nfs/dbraw/zinc/09/85/36/594098536.db2.gz YPBLVNJFVSCYMF-HDICACEKSA-N 0 3 346.519 1.325 20 10 EDCDHN CN(C)c1ccc(CNC(=O)N2CCOC3(CCN(C)CC3)C2)cc1 ZINC000825602612 594205587 /nfs/dbraw/zinc/20/55/87/594205587.db2.gz LGEBSWFGLDYSCI-UHFFFAOYSA-N 0 3 346.475 1.759 20 10 EDCDHN CN(C)CC(C)(C)NC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000823523630 594213821 /nfs/dbraw/zinc/21/38/21/594213821.db2.gz HOHJBZVDZUMHKF-UHFFFAOYSA-N 0 3 348.491 1.787 20 10 EDCDHN C[C@@H](NC(=O)[C@@H](N)CC(F)F)c1ccc(N2CCOCC2)cc1 ZINC000827726340 594265950 /nfs/dbraw/zinc/26/59/50/594265950.db2.gz XDSSDAZRHVKOSH-RISCZKNCSA-N 0 3 327.375 1.683 20 10 EDCDHN COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000826967167 594612871 /nfs/dbraw/zinc/61/28/71/594612871.db2.gz GMDSPHNYSCPYTJ-WCQYABFASA-N 0 3 344.205 1.883 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNC(=O)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000832279597 594739912 /nfs/dbraw/zinc/73/99/12/594739912.db2.gz KKBRAUIVCDNENA-OAHLLOKOSA-N 0 3 346.391 1.064 20 10 EDCDHN CCCNC(=O)CCCC(=O)NC[C@H](N)c1ccc(N(C)C)cc1 ZINC000832285168 594740423 /nfs/dbraw/zinc/74/04/23/594740423.db2.gz PCJRTJWKKWTITE-INIZCTEOSA-N 0 3 334.464 1.565 20 10 EDCDHN Cc1ccccc1[C@@H](N)C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1 ZINC000841845931 594963692 /nfs/dbraw/zinc/96/36/92/594963692.db2.gz ICJWHTOZJLBCSM-QZTJIDSGSA-N 0 3 326.444 1.877 20 10 EDCDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)NCCc1ccc(N)cc1 ZINC000841953794 594988779 /nfs/dbraw/zinc/98/87/79/594988779.db2.gz CXQDZALGIJTDPJ-QGZVFWFLSA-N 0 3 334.464 1.564 20 10 EDCDHN CC(C)C[C@H](CN)NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000842202944 595037018 /nfs/dbraw/zinc/03/70/18/595037018.db2.gz MXSKCRDSXOLSSM-UKRRQHHQSA-N 0 3 334.464 1.419 20 10 EDCDHN Cn1c(=O)ccc2c1CCC[C@@H]2[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000846106086 595145162 /nfs/dbraw/zinc/14/51/62/595145162.db2.gz AXAFWHWSSOMZRL-ZDUSSCGKSA-N 0 3 328.368 1.987 20 10 EDCDHN Cc1cnc(N)c(S(=O)(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)c1 ZINC000842783724 595196711 /nfs/dbraw/zinc/19/67/11/595196711.db2.gz BWNSTJWZSRRKHD-CQSZACIVSA-N 0 3 349.460 1.017 20 10 EDCDHN Cc1cc(N(C)C)ccc1C[C@H](C)NS(=O)(=O)CCCN(C)C ZINC000867409907 595198402 /nfs/dbraw/zinc/19/84/02/595198402.db2.gz RJQALJGUHILFSI-HNNXBMFYSA-N 0 3 341.521 1.863 20 10 EDCDHN C[C@H](NC[C@@]1(C)CCC(=O)N1)c1ccc(N2CCOCC2)c(F)c1 ZINC000834909501 595238047 /nfs/dbraw/zinc/23/80/47/595238047.db2.gz SAWDCSXZPSOBSU-SCLBCKFNSA-N 0 3 335.423 1.982 20 10 EDCDHN COc1ccc(N2CCN(C(=O)[C@@H]3C[C@H](C)CCN3)CC2)cc1F ZINC000844190768 595297819 /nfs/dbraw/zinc/29/78/19/595297819.db2.gz NUXMWYGFCOUKHL-CJNGLKHVSA-N 0 3 335.423 1.871 20 10 EDCDHN COc1ccc(N2CCN(C(=O)N[C@H](CN)C(F)(F)F)CC2)cc1 ZINC000848596653 595414036 /nfs/dbraw/zinc/41/40/36/595414036.db2.gz ZRGZPZOJYGTBOG-CYBMUJFWSA-N 0 3 346.353 1.416 20 10 EDCDHN CN(C)CCn1ccc(C(=O)NCc2c(O)ccc3c2CCCC3)n1 ZINC000847590726 595453624 /nfs/dbraw/zinc/45/36/24/595453624.db2.gz FROBUDQYEJICOU-UHFFFAOYSA-N 0 3 342.443 1.959 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)c2cc3c(s2)CCNC3)cc1 ZINC000852791430 595544841 /nfs/dbraw/zinc/54/48/41/595544841.db2.gz HGMRUGPNBHMUKG-HNNXBMFYSA-N 0 3 344.484 1.890 20 10 EDCDHN Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)NCc2ccccc2O)cn1 ZINC000849565300 595571117 /nfs/dbraw/zinc/57/11/17/595571117.db2.gz SRUFBSLJEAETOD-JKSUJKDBSA-N 0 3 328.416 1.477 20 10 EDCDHN CNS(=O)(=O)C[C@H]1CCCN(Cc2ccc(N(C)C)cc2)C1 ZINC000860194856 595608666 /nfs/dbraw/zinc/60/86/66/595608666.db2.gz YTIOGYOOXBWLGJ-HNNXBMFYSA-N 0 3 325.478 1.514 20 10 EDCDHN CC[C@@H]1C[C@H](NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CO1 ZINC000850135930 595750349 /nfs/dbraw/zinc/75/03/49/595750349.db2.gz SKPOQPYPISMCBB-DOTOQJQBSA-N 0 3 338.473 1.579 20 10 EDCDHN COc1cc(Br)cc(C[NH2+]CCN2CC[C@@H](O)C2)c1[O-] ZINC000858297187 595755950 /nfs/dbraw/zinc/75/59/50/595755950.db2.gz AHASKOPYWIYSOM-GFCCVEGCSA-N 0 3 345.237 1.320 20 10 EDCDHN COc1ccc(N2CC[C@@H](NC(=O)NCCN(C)C3CC3)C2)cc1 ZINC000852186517 596076374 /nfs/dbraw/zinc/07/63/74/596076374.db2.gz GIEFGFXHTVIJOB-CQSZACIVSA-N 0 3 332.448 1.667 20 10 EDCDHN C[C@@H]1C[C@H]([NH2+]C[C@@]23COC(=O)N2CCOC3)c2c1c(F)ccc2[O-] ZINC000866520979 596239422 /nfs/dbraw/zinc/23/94/22/596239422.db2.gz JDZBXRQHAIEYRS-YOIRWDDOSA-N 0 3 336.363 1.890 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNS(=O)(=O)CCC(C)(F)F)cc1 ZINC000866757304 596325182 /nfs/dbraw/zinc/32/51/82/596325182.db2.gz PPSCPARVVNXLGQ-CYBMUJFWSA-N 0 3 335.420 1.717 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)c2ncc3n2CCCC3)cc1 ZINC000870933797 596411443 /nfs/dbraw/zinc/41/14/43/596411443.db2.gz XKXAEMBGMQBDRU-INIZCTEOSA-N 0 3 327.432 1.715 20 10 EDCDHN C[C@H](NC[C@H]1COCCN1)c1ccc(N2CCOCC2)cc1Cl ZINC000863544706 596613835 /nfs/dbraw/zinc/61/38/35/596613835.db2.gz BWQAZVISNANSRA-KBPBESRZSA-N 0 3 339.867 1.816 20 10 EDCDHN CC[C@@H](N[C@@H](C)C(=O)N[C@@H](C)C(=O)OC)c1ccc(N(C)C)cc1 ZINC000866439018 596886962 /nfs/dbraw/zinc/88/69/62/596886962.db2.gz DFXXDEBXYVVIBR-HEHGZKQESA-N 0 3 335.448 1.860 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNC(=O)[C@H]2CCCCN(C)C2=O)cc1 ZINC000876506202 597224814 /nfs/dbraw/zinc/22/48/14/597224814.db2.gz HBDPFTQZBWTHML-HZPDHXFCSA-N 0 3 332.448 1.127 20 10 EDCDHN COC[C@]1(C(=O)NCc2ccc(N3CCOCC3)cc2)CCCCN1 ZINC000876726535 597307610 /nfs/dbraw/zinc/30/76/10/597307610.db2.gz JUDBAWMZUPLJTB-IBGZPJMESA-N 0 3 347.459 1.298 20 10 EDCDHN O=C1C[C@H](NCc2ccc(N3CCC(O)CC3)cc2)CN1CC1CC1 ZINC000883402317 597732838 /nfs/dbraw/zinc/73/28/38/597732838.db2.gz NTPGOQRFDGDSJI-KRWDZBQOSA-N 0 3 343.471 1.748 20 10 EDCDHN COC[C@H](O)CN[C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000129603913 597949109 /nfs/dbraw/zinc/94/91/09/597949109.db2.gz OJGGSNYIINFFGF-GXTWGEPZSA-N 0 3 328.840 1.835 20 10 EDCDHN Cc1cc(O)c(CN2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1C ZINC000093821071 237023061 /nfs/dbraw/zinc/02/30/61/237023061.db2.gz LBSPGNBKDWMTNA-QGZVFWFLSA-N 0 3 331.460 1.747 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN(CC)CC(C)(C)O)cc2=O ZINC000265064628 249344732 /nfs/dbraw/zinc/34/47/32/249344732.db2.gz UFBOLQCRMQEXRN-UHFFFAOYSA-N 0 3 336.392 1.204 20 10 EDCDHN CN(C)c1ccc(CN(C)C(=O)CN2CCCC[C@H](CO)C2)cc1 ZINC000374039000 250250729 /nfs/dbraw/zinc/25/07/29/250250729.db2.gz PEYRGOGAOYAAAM-KRWDZBQOSA-N 0 3 333.476 1.805 20 10 EDCDHN CN(C)CCN1C[C@H](C(=O)N(C)Cc2ccc(N(C)C)cc2)CC1=O ZINC000074190175 441405026 /nfs/dbraw/zinc/40/50/26/441405026.db2.gz XKJGWVVCYMPJOI-MRXNPFEDSA-N 0 3 346.475 1.121 20 10 EDCDHN CCCN(CC(=O)N1CCN(C(C)=O)CC1)Cc1ccccc1O ZINC000076074257 441593922 /nfs/dbraw/zinc/59/39/22/441593922.db2.gz LTTUIAXHAZXBAH-UHFFFAOYSA-N 0 3 333.432 1.295 20 10 EDCDHN COCCN(C)CCNC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000171128045 442316503 /nfs/dbraw/zinc/31/65/03/442316503.db2.gz IJPGXISZUMTEEL-UHFFFAOYSA-N 0 3 330.432 1.797 20 10 EDCDHN Cc1ccc(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)c([O-])c1O ZINC000179508582 442469168 /nfs/dbraw/zinc/46/91/68/442469168.db2.gz GIGDXOBYMMEKLC-ZDUSSCGKSA-N 0 3 334.416 1.637 20 10 EDCDHN CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(O)c2[O-])[C@H](C)C1 ZINC000185667697 443235036 /nfs/dbraw/zinc/23/50/36/443235036.db2.gz HVZDHMGMWABUSW-UKRRQHHQSA-N 0 3 336.432 1.965 20 10 EDCDHN CCOCCC[N@H+]1CC[C@@H](NC(=O)c2cccc(O)c2[O-])[C@H](C)C1 ZINC000185667697 443235041 /nfs/dbraw/zinc/23/50/41/443235041.db2.gz HVZDHMGMWABUSW-UKRRQHHQSA-N 0 3 336.432 1.965 20 10 EDCDHN CCCN(CC(=O)NC(=O)N[C@H](C)COC)Cc1ccccc1O ZINC000263907941 443242492 /nfs/dbraw/zinc/24/24/92/443242492.db2.gz ITYCXXCWGPMTMR-CYBMUJFWSA-N 0 3 337.420 1.465 20 10 EDCDHN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H](C)N2CCN(C)CC2)c1 ZINC000273621782 443583347 /nfs/dbraw/zinc/58/33/47/443583347.db2.gz ZHAJOBIPMAEINJ-UONOGXRCSA-N 0 3 335.448 1.465 20 10 EDCDHN CCCN(Cc1ccccc1O)C(=O)C(=O)N1CCN2CCC[C@H]2C1 ZINC000298666928 443833592 /nfs/dbraw/zinc/83/35/92/443833592.db2.gz MBFIGOLTDYULDQ-INIZCTEOSA-N 0 3 345.443 1.437 20 10 EDCDHN COc1cc(O)c(CN2C[C@H](N3CCOCC3)C[C@@H]2C)cc1OC ZINC000285061180 443840952 /nfs/dbraw/zinc/84/09/52/443840952.db2.gz IIYHJRFDOMWOHK-DZGCQCFKSA-N 0 3 336.432 1.704 20 10 EDCDHN COc1cc([O-])c(C[N@@H+]2C[C@H](N3CCOCC3)C[C@@H]2C)cc1OC ZINC000285061180 443840955 /nfs/dbraw/zinc/84/09/55/443840955.db2.gz IIYHJRFDOMWOHK-DZGCQCFKSA-N 0 3 336.432 1.704 20 10 EDCDHN COc1cc([O-])c(C[N@H+]2C[C@H](N3CCOCC3)C[C@@H]2C)cc1OC ZINC000285061180 443840957 /nfs/dbraw/zinc/84/09/57/443840957.db2.gz IIYHJRFDOMWOHK-DZGCQCFKSA-N 0 3 336.432 1.704 20 10 EDCDHN Cc1cc(CN2CCC[C@@H](n3cc(CO)nn3)C2)ccc1N(C)C ZINC000293009416 443901903 /nfs/dbraw/zinc/90/19/03/443901903.db2.gz PPXZWCANXLQMOP-QGZVFWFLSA-N 0 3 329.448 1.982 20 10 EDCDHN COc1cccc(C[NH2+]C[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)c1[O-] ZINC000285441831 443985777 /nfs/dbraw/zinc/98/57/77/443985777.db2.gz IJSMIAPFJAOKHL-JSGCOSHPSA-N 0 3 342.461 1.598 20 10 EDCDHN COc1cc([O-])c(C[NH2+]C2CCC3(CC2)NC(=O)NC3=O)cc1OC ZINC000289594009 444178177 /nfs/dbraw/zinc/17/81/77/444178177.db2.gz KOPGLDBBAVCZTJ-UHFFFAOYSA-N 0 3 349.387 1.020 20 10 EDCDHN CCOc1cccc(C[NH2+]C[C@H]2CCC[C@]23NC(=O)N(C)C3=O)c1[O-] ZINC000360017444 445530641 /nfs/dbraw/zinc/53/06/41/445530641.db2.gz DABYZDYYWMGQAP-ACJLOTCBSA-N 0 3 347.415 1.601 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@H]1CCO[C@@H]1C1CC1)cc2=O ZINC000365193223 446072702 /nfs/dbraw/zinc/07/27/02/446072702.db2.gz ZIVNTSZLPGQTGS-DZGCQCFKSA-N 0 3 346.387 1.269 20 10 EDCDHN C[C@@H](N[C@H]1CCN(c2ccn(C)n2)C1=O)c1ccc(N(C)C)cc1 ZINC000369440034 446121337 /nfs/dbraw/zinc/12/13/37/446121337.db2.gz PSFZSOQZMFFVRP-CJNGLKHVSA-N 0 3 327.432 1.942 20 10 EDCDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@@H]([C@]3(C)NC(=O)NC3=O)C2)c1 ZINC000362045244 446175713 /nfs/dbraw/zinc/17/57/13/446175713.db2.gz LMCNSLWUTXSJPN-PXAZEXFGSA-N 0 3 333.388 1.211 20 10 EDCDHN COc1ccc([O-])c(C[N@H+]2CCC[C@@H]([C@]3(C)NC(=O)NC3=O)C2)c1 ZINC000362045244 446175716 /nfs/dbraw/zinc/17/57/16/446175716.db2.gz LMCNSLWUTXSJPN-PXAZEXFGSA-N 0 3 333.388 1.211 20 10 EDCDHN CNC(=O)CN1CCCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000367421757 446544589 /nfs/dbraw/zinc/54/45/89/446544589.db2.gz GBDBZRBTKZDWAZ-UHFFFAOYSA-N 0 3 344.503 1.931 20 10 EDCDHN COC(=O)c1cn([C@H]2CCCN(Cc3cc(OC)ccc3O)C2)nn1 ZINC000372036171 446983508 /nfs/dbraw/zinc/98/35/08/446983508.db2.gz HKCQCCGSBOFDOM-ZDUSSCGKSA-N 0 3 346.387 1.616 20 10 EDCDHN CN(C)CCOCCNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000788018866 578548285 /nfs/dbraw/zinc/54/82/85/578548285.db2.gz WHXOMCJRARWDSZ-UHFFFAOYSA-N 0 3 326.416 1.269 20 10 EDCDHN COC[C@@](C)(CC(=O)OC)NCc1cc(OC)c(OC)cc1O ZINC000757920379 579973048 /nfs/dbraw/zinc/97/30/48/579973048.db2.gz RBYBWWQEHFTBIY-MRXNPFEDSA-N 0 3 327.377 1.467 20 10 EDCDHN Cc1cc(C(=O)NC[C@]2(O)CCN(C)C2)c(C)n1-c1ccccn1 ZINC000762724630 580081585 /nfs/dbraw/zinc/08/15/85/580081585.db2.gz UYHRKQUVYJESPR-GOSISDBHSA-N 0 3 328.416 1.286 20 10 EDCDHN CO[C@@H](C)[C@H](C)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765979193 580155709 /nfs/dbraw/zinc/15/57/09/580155709.db2.gz JFLFQXFDVBEWQA-KBPBESRZSA-N 0 3 326.462 1.434 20 10 EDCDHN CCOc1ccc(C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)c([O-])c1 ZINC000768235238 580209555 /nfs/dbraw/zinc/20/95/55/580209555.db2.gz YQQLCLYFACEIJI-INIZCTEOSA-N 0 3 348.443 1.862 20 10 EDCDHN CCOc1ccc(C[N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)c([O-])c1 ZINC000768235238 580209556 /nfs/dbraw/zinc/20/95/56/580209556.db2.gz YQQLCLYFACEIJI-INIZCTEOSA-N 0 3 348.443 1.862 20 10 EDCDHN COc1ccc(O)c([C@@H](C)NCC(=O)N2CCOC[C@@H]2C2CC2)c1 ZINC000775377516 580389638 /nfs/dbraw/zinc/38/96/38/580389638.db2.gz GPQPQIUUJQUMTG-MLGOLLRUSA-N 0 3 334.416 1.689 20 10 EDCDHN O=C(/C=C\c1ccc(O)c(O)c1)N1CCN(c2ccncc2)CC1 ZINC000779474700 580486571 /nfs/dbraw/zinc/48/65/71/580486571.db2.gz DMFIFUSMKRUFOT-RQOWECAXSA-N 0 3 325.368 1.855 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCCC(=O)N2C)N(C)C)cc1 ZINC000891244303 591014142 /nfs/dbraw/zinc/01/41/42/591014142.db2.gz ZICOKONMMXOYAD-IAGOWNOFSA-N 0 3 346.475 1.482 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)C2(O)CCOCC2)N(C)C)cc1 ZINC000891247111 591016573 /nfs/dbraw/zinc/01/65/73/591016573.db2.gz FDDMVGXGCCGPDP-MRXNPFEDSA-N 0 3 335.448 1.013 20 10 EDCDHN CON1CCC(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CC1 ZINC000891247786 591017083 /nfs/dbraw/zinc/01/70/83/591017083.db2.gz VFTAKEGCRPRNPR-SFHVURJKSA-N 0 3 348.491 1.745 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)c2cnn(CCF)c2)N(C)C)cc1 ZINC000891248841 591018845 /nfs/dbraw/zinc/01/88/45/591018845.db2.gz NOMQOPVGTDFTMJ-KRWDZBQOSA-N 0 3 347.438 1.951 20 10 EDCDHN COC(=O)N[C@@H](C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891249885 591018932 /nfs/dbraw/zinc/01/89/32/591018932.db2.gz XKWTYQNEIYCTOC-WFASDCNBSA-N 0 3 336.436 1.216 20 10 EDCDHN COc1ccc(C[NH2+]C[C@H](O)COc2ccccc2)c([O-])c1OC ZINC000892521941 591057606 /nfs/dbraw/zinc/05/76/06/591057606.db2.gz JZYBOUOAYMGTOR-AWEZNQCLSA-N 0 3 333.384 1.939 20 10 EDCDHN COc1nccnc1CNC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898449591 591352960 /nfs/dbraw/zinc/35/29/60/591352960.db2.gz HWIOAQXHVRVYQS-QGZVFWFLSA-N 0 3 329.448 1.944 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)NC[C@H]2COCO2)N(C)C)cc1 ZINC000896194580 591386219 /nfs/dbraw/zinc/38/62/19/591386219.db2.gz DKQGZZBIRVUDTN-HOTGVXAUSA-N 0 3 336.436 1.027 20 10 EDCDHN COCCN1[C@H](C)CN(Cc2ccc(OC)c(OC)c2O)C[C@@H]1C ZINC000895109481 591591893 /nfs/dbraw/zinc/59/18/93/591591893.db2.gz SJXDICNUYBSIOI-OKILXGFUSA-N 0 3 338.448 1.950 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)N[C@H]2CCC[C@@H]2O)N(C)C)cc1 ZINC000899097655 591678280 /nfs/dbraw/zinc/67/82/80/591678280.db2.gz DSIHMOFZIFAYHI-BBWFWOEESA-N 0 3 334.464 1.568 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)N(CCO)C2CCC2)N(C)C)cc1 ZINC000899101575 591681677 /nfs/dbraw/zinc/68/16/77/591681677.db2.gz IXYUVEVSDKMUFK-SFHVURJKSA-N 0 3 348.491 1.912 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)N2CC(C(C)(C)O)C2)N(C)C)cc1 ZINC000899104982 591684168 /nfs/dbraw/zinc/68/41/68/591684168.db2.gz UNKZNKJJJMYMMG-QGZVFWFLSA-N 0 3 348.491 1.768 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)N2CCC[C@@H]2CCO)N(C)C)cc1 ZINC000899099300 591689057 /nfs/dbraw/zinc/68/90/57/591689057.db2.gz YMRWQZICLXFKDF-QZTJIDSGSA-N 0 3 348.491 1.912 20 10 EDCDHN CN(C)c1ccc([C@@H](CN2C(=O)N[C@@H](C3CC3)C2=O)N(C)C)cc1 ZINC000900185900 591932969 /nfs/dbraw/zinc/93/29/69/591932969.db2.gz UHJQOKPSPRFYAA-CVEARBPZSA-N 0 3 330.432 1.686 20 10 EDCDHN COc1ccc(O)c(CNC(=O)CCN2CCN(C(C)C)CC2)c1 ZINC000901129764 592243974 /nfs/dbraw/zinc/24/39/74/592243974.db2.gz FQHJRNSMMCPDLP-UHFFFAOYSA-N 0 3 335.448 1.433 20 10 EDCDHN CN(C)c1ccc(/C=C\CNCC[C@H]2CNCCS2(=O)=O)cc1 ZINC000903969668 592395916 /nfs/dbraw/zinc/39/59/16/592395916.db2.gz IREBBUYNBQVWKE-LIMHQNJXSA-N 0 3 337.489 1.132 20 10 EDCDHN CSC[C@@H](O)CNCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000905483501 592539387 /nfs/dbraw/zinc/53/93/87/592539387.db2.gz ZMUVEUDDALYTEU-INIZCTEOSA-N 0 3 337.489 1.202 20 10 EDCDHN C[C@H](NC(=O)C(=O)N1CC[C@@H]2CC[C@]21CN)c1ccc(N(C)C)cc1 ZINC000911228180 592969771 /nfs/dbraw/zinc/96/97/71/592969771.db2.gz XYBYBULIVHHVMV-RFUYNDQBSA-N 0 3 344.459 1.270 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)[C@H]2CCc3cncn3C2)cc1 ZINC000911665155 592973658 /nfs/dbraw/zinc/97/36/58/592973658.db2.gz AKGRKTKHZNIIQB-YOEHRIQHSA-N 0 3 327.432 1.328 20 10 EDCDHN COc1ccc(N2CC[C@H](NC(=O)C[C@@]3(O)CCCN(C)C3)C2)cc1 ZINC000912293423 593083590 /nfs/dbraw/zinc/08/35/90/593083590.db2.gz WHBQHKUYLLLMEY-KXBFYZLASA-N 0 3 347.459 1.237 20 10 EDCDHN C[C@H](NCCN1C(=O)N[C@H](C)C1=O)c1ccc(N2CCOCC2)cc1 ZINC000838914730 593231719 /nfs/dbraw/zinc/23/17/19/593231719.db2.gz QGQJKZUNTXVZCS-UONOGXRCSA-N 0 3 346.431 1.114 20 10 EDCDHN CNC(=O)NC(=O)CCN[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000839543052 593337329 /nfs/dbraw/zinc/33/73/29/593337329.db2.gz XEXMLJXZIXLRLB-CYBMUJFWSA-N 0 3 334.420 1.020 20 10 EDCDHN COc1ccc([O-])c(C[NH2+]C[C@H]2CCCCN2S(C)(=O)=O)c1 ZINC000809710343 593356345 /nfs/dbraw/zinc/35/63/45/593356345.db2.gz QLKYFRVRXIWKMM-CYBMUJFWSA-N 0 3 328.434 1.305 20 10 EDCDHN COc1ccc(O)c(CNC[C@H]2CCCCN2S(C)(=O)=O)c1 ZINC000809710343 593356347 /nfs/dbraw/zinc/35/63/47/593356347.db2.gz QLKYFRVRXIWKMM-CYBMUJFWSA-N 0 3 328.434 1.305 20 10 EDCDHN CCN(CCNC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C1CC1 ZINC000804222977 593398641 /nfs/dbraw/zinc/39/86/41/593398641.db2.gz GANZACZCANZPKE-AWEZNQCLSA-N 0 3 346.475 1.530 20 10 EDCDHN CN(C[C@@H]1CCCN1C)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000817156144 593577709 /nfs/dbraw/zinc/57/77/09/593577709.db2.gz GSTPMKXHKWZKCO-SFHVURJKSA-N 0 3 346.475 1.759 20 10 EDCDHN COc1ccc(N2CCN(C[C@H](O)CN3C[C@H](C)[C@@H]3C)CC2)cc1 ZINC000815163877 593618882 /nfs/dbraw/zinc/61/88/82/593618882.db2.gz RWTGYYKLLOINNH-BQFCYCMXSA-N 0 3 333.476 1.518 20 10 EDCDHN COc1ccc(N2CC[C@H](CNC(=O)C[C@@H]3CSCCN3)C2)cc1 ZINC000818613010 593708018 /nfs/dbraw/zinc/70/80/18/593708018.db2.gz BAKGKRVLTDCYGH-HUUCEWRRSA-N 0 3 349.500 1.733 20 10 EDCDHN CN(C)c1ccc(CNC(=O)CN2CCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1 ZINC000831158262 594571515 /nfs/dbraw/zinc/57/15/15/594571515.db2.gz DSSQDLLIJKRHSG-IPMKNSEASA-N 0 3 345.487 1.994 20 10 EDCDHN N[C@@H]1C[C@@H]1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000827260869 594657132 /nfs/dbraw/zinc/65/71/32/594657132.db2.gz XITJLNVXNGSJKY-GXTWGEPZSA-N 0 3 343.349 1.505 20 10 EDCDHN NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)[C@H](N)C3CCC3)cc2)C1 ZINC000827469410 594675199 /nfs/dbraw/zinc/67/51/99/594675199.db2.gz WVMZCVHPLKUEHB-DOTOQJQBSA-N 0 3 344.459 1.132 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)c2cc(N)nc(Cl)c2)cc1 ZINC000832280778 594739937 /nfs/dbraw/zinc/73/99/37/594739937.db2.gz QVGGVLDKVBUSGA-ZDUSSCGKSA-N 0 3 333.823 1.813 20 10 EDCDHN COCCNCC[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000841048204 594844149 /nfs/dbraw/zinc/84/41/49/594844149.db2.gz NAROVAASEIAQHZ-UHFFFAOYSA-N 0 3 333.226 1.489 20 10 EDCDHN CC(=O)c1cc(F)cc(CN2CC[NH2+]C[C@H]2c2nccn2C)c1[O-] ZINC000843380206 595094836 /nfs/dbraw/zinc/09/48/36/595094836.db2.gz RXIGGBRPBRNPNI-HNNXBMFYSA-N 0 3 332.379 1.614 20 10 EDCDHN CN(C)CCN1CCN(C/C=C/c2ccc(N(C)C)cc2)CC1=O ZINC000846012438 595121582 /nfs/dbraw/zinc/12/15/82/595121582.db2.gz AWIWQAGUQVRNDT-AATRIKPKSA-N 0 3 330.476 1.472 20 10 EDCDHN CN(C)CCn1cc(NCc2ccc(N3CCN(C)CC3)cc2)cn1 ZINC000846074713 595136800 /nfs/dbraw/zinc/13/68/00/595136800.db2.gz ZEQWYVUOXCZSNW-UHFFFAOYSA-N 0 3 342.491 1.809 20 10 EDCDHN C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(S(C)(=O)=O)C2)c2c1c(F)ccc2[O-] ZINC000846191267 595169096 /nfs/dbraw/zinc/16/90/96/595169096.db2.gz XIYUNGHCJKQGGQ-CKYFFXLPSA-N 0 3 328.409 1.703 20 10 EDCDHN CC(C)N(C)CC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000837704862 595172892 /nfs/dbraw/zinc/17/28/92/595172892.db2.gz CQIAIBFGTSTFIE-UHFFFAOYSA-N 0 3 341.402 1.758 20 10 EDCDHN O=S(=O)(C1CC1)N1CCC([NH2+][C@H]2CCc3cccc([O-])c32)CC1 ZINC000834676176 595188525 /nfs/dbraw/zinc/18/85/25/595188525.db2.gz PVOJTVCVGNSUSZ-HNNXBMFYSA-N 0 3 336.457 1.926 20 10 EDCDHN CO[C@H](CS(=O)(=O)NC[C@H](N)c1ccc(N(C)C)cc1)C(C)C ZINC000842786359 595197951 /nfs/dbraw/zinc/19/79/51/595197951.db2.gz YUMIEEWOYUEFGI-JKSUJKDBSA-N 0 3 343.493 1.343 20 10 EDCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)C(=O)N1c1cnn(C)c1 ZINC000834724903 595198749 /nfs/dbraw/zinc/19/87/49/595198749.db2.gz DYYDOYSLPBCKOA-DFBGVHRSSA-N 0 3 326.400 1.897 20 10 EDCDHN Cc1c(CCC(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)cnn1C ZINC000844162654 595287835 /nfs/dbraw/zinc/28/78/35/595287835.db2.gz KTNIJPJENWBRFT-QGZVFWFLSA-N 0 3 329.448 1.543 20 10 EDCDHN Cc1ccc([O-])c(C[NH+]2CCC(c3nnc4n3CCNC4)CC2)c1 ZINC000843118178 595291230 /nfs/dbraw/zinc/29/12/30/595291230.db2.gz BADUEQQGSDODGZ-UHFFFAOYSA-N 0 3 327.432 1.775 20 10 EDCDHN COc1ccc(N(C)CCN(C)C(=O)[C@@H](N)CCSC)cc1 ZINC000846697644 595303324 /nfs/dbraw/zinc/30/33/24/595303324.db2.gz TXFASMIQZOQSTC-HNNXBMFYSA-N 0 3 325.478 1.670 20 10 EDCDHN COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)CC[NH2+]C1CC1 ZINC000848426706 595376983 /nfs/dbraw/zinc/37/69/83/595376983.db2.gz PAYYBFVRIULTBV-UHFFFAOYSA-N 0 3 340.807 1.689 20 10 EDCDHN CCc1cccc(CNCCS(=O)(=O)N2CCSCC2)c1O ZINC000848894697 595464384 /nfs/dbraw/zinc/46/43/84/595464384.db2.gz HCUAFLRLHAASPB-UHFFFAOYSA-N 0 3 344.502 1.423 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNC(=O)c2ccnc3c2CC(=O)N3)cc1 ZINC000852791740 595545099 /nfs/dbraw/zinc/54/50/99/595545099.db2.gz LHXBIMNNXSFEPU-OAHLLOKOSA-N 0 3 339.399 1.072 20 10 EDCDHN O=C(C[C@H]1CSCCN1)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000852869239 595589412 /nfs/dbraw/zinc/58/94/12/595589412.db2.gz ZZORQGJGPCCFOX-HNNXBMFYSA-N 0 3 349.500 1.359 20 10 EDCDHN [O-]c1cccc(Br)c1CNC[C@H](O)C[NH+]1CCCC1 ZINC000858106765 595701802 /nfs/dbraw/zinc/70/18/02/595701802.db2.gz QYDLEIXOGLBWSH-NSHDSACASA-N 0 3 329.238 1.701 20 10 EDCDHN COc1cccc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)c1[O-] ZINC000858499549 595811067 /nfs/dbraw/zinc/81/10/67/595811067.db2.gz JAGHXDGHQSVTNK-MRVWCRGKSA-N 0 3 342.461 1.912 20 10 EDCDHN COc1ccc(N2CC[C@@H](NCc3cnc(N(C)C)nc3)C2)cc1 ZINC000850346011 595814054 /nfs/dbraw/zinc/81/40/54/595814054.db2.gz PGJQAEAETAGKLC-OAHLLOKOSA-N 0 3 327.432 1.920 20 10 EDCDHN C[C@H](N[C@@H]1CCOC[C@H]1O)c1ccc(N2CCOCC2)cc1Cl ZINC000858552614 595826758 /nfs/dbraw/zinc/82/67/58/595826758.db2.gz IDGTWTAAANZUIY-JCURWCKSSA-N 0 3 340.851 1.977 20 10 EDCDHN CCS(=O)(=O)C1(CNCc2ccc(N3CCOCC3)cc2)CC1 ZINC000850397916 595827862 /nfs/dbraw/zinc/82/78/62/595827862.db2.gz KEPSPWNMDIGVCW-UHFFFAOYSA-N 0 3 338.473 1.580 20 10 EDCDHN COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(C4CC4)C3)C2)cc1 ZINC000852186399 596076810 /nfs/dbraw/zinc/07/68/10/596076810.db2.gz FFGAITZGGXQUHL-GJZGRUSLSA-N 0 3 344.459 1.810 20 10 EDCDHN C[C@H]1CN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@H](C)C1O ZINC000852501938 596184243 /nfs/dbraw/zinc/18/42/43/596184243.db2.gz YESFFYBBBVWLMI-GJZGRUSLSA-N 0 3 333.476 1.660 20 10 EDCDHN CN(Cc1ccc(N2CCN(C)CC2)cc1)[C@H]1CCC(=O)N(C)C1 ZINC000862428660 596327208 /nfs/dbraw/zinc/32/72/08/596327208.db2.gz UJUGPINFMCJCMJ-SFHVURJKSA-N 0 3 330.476 1.491 20 10 EDCDHN COC(=O)[C@@]1(OC)CCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000862473638 596333352 /nfs/dbraw/zinc/33/33/52/596333352.db2.gz CTKYVHSFRRPTAF-GOSISDBHSA-N 0 3 334.416 1.287 20 10 EDCDHN C[C@H]1CCn2cc(C(=O)NC[C@H](N)c3ccc(N(C)C)cc3)nc2C1 ZINC000870932453 596410520 /nfs/dbraw/zinc/41/05/20/596410520.db2.gz FQYDBOVNKROFNP-BBRMVZONSA-N 0 3 341.459 1.961 20 10 EDCDHN O=S(=O)(NCc1ccc(N2CCN(CC3CC3)CC2)cc1)C1CC1 ZINC000123941338 596801929 /nfs/dbraw/zinc/80/19/29/596801929.db2.gz DUAOIXRDRFGFIJ-UHFFFAOYSA-N 0 3 349.500 1.800 20 10 EDCDHN COc1ccc(N2CCN(C[C@H](O)CNCC(C)(C)F)CC2)cc1 ZINC000872217120 596839867 /nfs/dbraw/zinc/83/98/67/596839867.db2.gz NQHHBEWBILMSCR-MRXNPFEDSA-N 0 3 339.455 1.516 20 10 EDCDHN CN1CCN(CCNC(=O)N2Cc3cccc(O)c3C2)CC1(C)C ZINC000875558962 596896920 /nfs/dbraw/zinc/89/69/20/596896920.db2.gz NDCKBHDCSBKQIM-UHFFFAOYSA-N 0 3 332.448 1.443 20 10 EDCDHN COc1ccc(CN[C@H]2CCCCNC2=O)cc1Cn1cccn1 ZINC000873010617 597159266 /nfs/dbraw/zinc/15/92/66/597159266.db2.gz NHOOCVAWPBIORM-INIZCTEOSA-N 0 3 328.416 1.698 20 10 EDCDHN O=S1(=O)CCC[C@H]1CNCc1ccc(N2CCC(O)CC2)cc1 ZINC000877111611 597435246 /nfs/dbraw/zinc/43/52/46/597435246.db2.gz JWLYPLMACRQNOO-KRWDZBQOSA-N 0 3 338.473 1.315 20 10 EDCDHN O=C1[C@@H](NCc2ccc(N3CCC(O)CC3)cc2)CCN1C1CCC1 ZINC000877661738 597545875 /nfs/dbraw/zinc/54/58/75/597545875.db2.gz GEYAHFIQYWTBOY-IBGZPJMESA-N 0 3 343.471 1.891 20 10 EDCDHN C[C@H]([NH2+][C@H]1CCCN(CCN2CCOCC2)C1)c1ccccc1[O-] ZINC000883371087 597725565 /nfs/dbraw/zinc/72/55/65/597725565.db2.gz YOSDZKRCIRXOQA-IRXDYDNUSA-N 0 3 333.476 1.839 20 10 EDCDHN CN(CCN1C(=O)CCC1=O)Cc1ccc(N2CCOCC2)cc1 ZINC000917020475 696878542 /nfs/dbraw/zinc/87/85/42/696878542.db2.gz PKGMNVTWOWSVAK-UHFFFAOYSA-N 0 3 331.416 1.104 20 10 EDCDHN O=c1[nH]ccnc1N1CCC[C@@H](NCc2ccc3c(c2)CCCO3)C1 ZINC000922028661 709455811 /nfs/dbraw/zinc/45/58/11/709455811.db2.gz KDGNUFZAPXPMIR-MRXNPFEDSA-N 0 3 340.427 1.854 20 10 EDCDHN CS(=O)(=O)N1CCCC[C@@H]1CNCc1ccc2c(c1)CCCO2 ZINC000922122577 709776290 /nfs/dbraw/zinc/77/62/90/709776290.db2.gz AQBTYAIRLWJMSR-MRXNPFEDSA-N 0 3 338.473 1.915 20 10 EDCDHN NS(=O)(=O)N1CCC[N@H+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000372404892 250218628 /nfs/dbraw/zinc/21/86/28/250218628.db2.gz QEUAGJFPMTYNPZ-UHFFFAOYSA-N 0 3 335.429 1.257 20 10 EDCDHN NS(=O)(=O)N1CCC[N@@H+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000372404892 250218634 /nfs/dbraw/zinc/21/86/34/250218634.db2.gz QEUAGJFPMTYNPZ-UHFFFAOYSA-N 0 3 335.429 1.257 20 10 EDCDHN Cc1ccc([C@H](C)[NH2+]C2CCN(c3nnnn3C)CC2)c([O-])c1C ZINC000370375116 250205684 /nfs/dbraw/zinc/20/56/84/250205684.db2.gz RPDIUYHVLWOMQV-ZDUSSCGKSA-N 0 3 330.436 1.852 20 10 EDCDHN CN1C2(CCC2)COC[C@@]1(CO)C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000527949497 305860753 /nfs/dbraw/zinc/86/07/53/305860753.db2.gz LMGWHXMKDIBXKV-KXBFYZLASA-N 0 3 332.444 1.585 20 10 EDCDHN COc1cccc(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)c1[O-] ZINC000063201865 441317579 /nfs/dbraw/zinc/31/75/79/441317579.db2.gz GHAMIWPSPRWVOK-UHFFFAOYSA-N 0 3 336.413 1.381 20 10 EDCDHN O=C1NCCN1[C@H]1CCCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000092188666 441777431 /nfs/dbraw/zinc/77/74/31/441777431.db2.gz WMHQEMNUJFRDFK-SFHVURJKSA-N 0 3 344.459 1.513 20 10 EDCDHN CN(C)c1noc(C2CCN(Cc3cc4c(cc3O)OCO4)CC2)n1 ZINC000191909624 442538527 /nfs/dbraw/zinc/53/85/27/442538527.db2.gz WZYQDWZHEJIKKT-UHFFFAOYSA-N 0 3 346.387 1.950 20 10 EDCDHN CNS(=O)(=O)CCN[C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000187187890 442659310 /nfs/dbraw/zinc/65/93/10/442659310.db2.gz PJZADPCMKOZZJG-CQSZACIVSA-N 0 3 325.478 1.877 20 10 EDCDHN COCCN1CC[C@H](NC(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000265521418 442807763 /nfs/dbraw/zinc/80/77/63/442807763.db2.gz HYMZARUUBNNPGE-KRWDZBQOSA-N 0 3 346.475 1.807 20 10 EDCDHN CN(C)c1noc([C@@H]2CCCN(Cc3cc4c(cc3O)OCO4)C2)n1 ZINC000194932007 442970251 /nfs/dbraw/zinc/97/02/51/442970251.db2.gz LVXDPYXYIJKZSY-LLVKDONJSA-N 0 3 346.387 1.950 20 10 EDCDHN COCCO[C@@H]1C[C@@H](CO)CN(Cc2cc(OC)ccc2O)C1 ZINC000278758171 443427428 /nfs/dbraw/zinc/42/74/28/443427428.db2.gz SWSQRPCJVIBZKU-CZUORRHYSA-N 0 3 325.405 1.247 20 10 EDCDHN CCCOc1ccc(C[NH2+]CCn2cc(C(=O)OC)nn2)c([O-])c1 ZINC000283840667 443738263 /nfs/dbraw/zinc/73/82/63/443738263.db2.gz FNSBONPAHLMODS-UHFFFAOYSA-N 0 3 334.376 1.349 20 10 EDCDHN CC[C@@H]([NH2+]C[C@@H]1CCn2ncc(C(N)=O)c2C1)c1ccccc1[O-] ZINC000280996614 443792433 /nfs/dbraw/zinc/79/24/33/443792433.db2.gz NIEVIEOLOQUKFW-IUODEOHRSA-N 0 3 328.416 1.991 20 10 EDCDHN CC[C@H](NCCNS(=O)(=O)NC(C)C)c1ccc(N(C)C)cc1 ZINC000277015283 443890225 /nfs/dbraw/zinc/89/02/25/443890225.db2.gz CLAFUCRUSYABOF-INIZCTEOSA-N 0 3 342.509 1.626 20 10 EDCDHN Cc1cc(CN2CCC[C@H](n3cc(CO)nn3)C2)ccc1N(C)C ZINC000293009413 443901470 /nfs/dbraw/zinc/90/14/70/443901470.db2.gz PPXZWCANXLQMOP-KRWDZBQOSA-N 0 3 329.448 1.982 20 10 EDCDHN COCCO[C@H]1C[C@@H](CO)CN(Cc2ccc(N(C)C)c(C)c2)C1 ZINC000294049948 444100007 /nfs/dbraw/zinc/10/00/07/444100007.db2.gz JHPGEPBIMVLZIG-MSOLQXFVSA-N 0 3 336.476 1.907 20 10 EDCDHN C[C@H](NC1CC1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000296603621 444242614 /nfs/dbraw/zinc/24/26/14/444242614.db2.gz YOARSOZOUSYFIZ-LBPRGKRZSA-N 0 3 335.423 1.544 20 10 EDCDHN CCOc1cccc(CN2CC[C@@H](n3cc(C(=O)OC)nn3)C2)c1O ZINC000363919490 445884649 /nfs/dbraw/zinc/88/46/49/445884649.db2.gz JWPNBZKQVNYWML-CYBMUJFWSA-N 0 3 346.387 1.616 20 10 EDCDHN O=C1CC[C@H]([NH2+]Cc2cc3c(cc2[O-])OCO3)[C@H]([C@H]2CCCO2)N1 ZINC000368080591 446627651 /nfs/dbraw/zinc/62/76/51/446627651.db2.gz FVLRRSLHVNYTFV-XTQGRXLLSA-N 0 3 334.372 1.037 20 10 EDCDHN CCC[C@]1(CO)CCCN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000298351154 521315815 /nfs/dbraw/zinc/31/58/15/521315815.db2.gz BWOQVUHIIZPARQ-LJQANCHMSA-N 0 3 333.476 1.996 20 10 EDCDHN CN(C)c1ccc(CN(C[C@H](O)CN2CCCC2=O)C2CC2)cc1 ZINC000732408292 578710466 /nfs/dbraw/zinc/71/04/66/578710466.db2.gz GXBDFMMUPTVYDZ-GOSISDBHSA-N 0 3 331.460 1.700 20 10 EDCDHN COC(=O)c1cn([C@@H]2CC[N@H+](Cc3cc4c(cc3[O-])CCC4)C2)nn1 ZINC000760543129 580033334 /nfs/dbraw/zinc/03/33/34/580033334.db2.gz YBTGHYGMXLUHII-OAHLLOKOSA-N 0 3 342.399 1.706 20 10 EDCDHN COC(=O)c1cn([C@@H]2CC[N@@H+](Cc3cc4c(cc3[O-])CCC4)C2)nn1 ZINC000760543129 580033335 /nfs/dbraw/zinc/03/33/35/580033335.db2.gz YBTGHYGMXLUHII-OAHLLOKOSA-N 0 3 342.399 1.706 20 10 EDCDHN COC(=O)c1cn([C@@H]2CCN(Cc3cc4c(cc3O)CCC4)C2)nn1 ZINC000760543129 580033336 /nfs/dbraw/zinc/03/33/36/580033336.db2.gz YBTGHYGMXLUHII-OAHLLOKOSA-N 0 3 342.399 1.706 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN(CC)C[C@H]1CCCO1)cc2=O ZINC000734151448 578799234 /nfs/dbraw/zinc/79/92/34/578799234.db2.gz ILRIHGOFTLNIFO-CYBMUJFWSA-N 0 3 348.403 1.613 20 10 EDCDHN CCOc1ccc(O)c(CN2CCC[C@@H]2CS(=O)(=O)NC)c1 ZINC000769531456 580239317 /nfs/dbraw/zinc/23/93/17/580239317.db2.gz ATOBNUKOFIYSPK-CYBMUJFWSA-N 0 3 328.434 1.305 20 10 EDCDHN CN1CCN(c2ccc(CNC[C@@](C)(O)C(F)(F)F)cc2)CC1 ZINC000771866754 580297114 /nfs/dbraw/zinc/29/71/14/580297114.db2.gz VZPVCUCHNRXDGC-OAHLLOKOSA-N 0 3 331.382 1.841 20 10 EDCDHN C[C@H](NC(=O)NC[C@H]1CN2CCC[C@H]2CO1)c1ccc(N(C)C)cc1 ZINC000773277493 580332497 /nfs/dbraw/zinc/33/24/97/580332497.db2.gz SEZMRUWBLFXMTB-WBAXXEDZSA-N 0 3 346.475 1.976 20 10 EDCDHN CCOc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2OCCOC)c([O-])c1 ZINC000776812611 580429406 /nfs/dbraw/zinc/42/94/06/580429406.db2.gz LULVMYVJKXHMOL-WBVHZDCISA-N 0 3 325.405 1.701 20 10 EDCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCc2nnnn2C)c1[O-] ZINC000779030232 580478087 /nfs/dbraw/zinc/47/80/87/580478087.db2.gz OUFDBBQOEIUUHV-VIFPVBQESA-N 0 3 340.225 1.880 20 10 EDCDHN COCCNC(=O)[C@H](Cc1ccccc1)[NH2+]Cc1cc(F)ccc1[O-] ZINC000779094130 580479084 /nfs/dbraw/zinc/47/90/84/580479084.db2.gz XASQQYPLXLXHMH-KRWDZBQOSA-N 0 3 346.402 1.995 20 10 EDCDHN Cc1ccc(C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c([O-])c1O ZINC000780991759 580539711 /nfs/dbraw/zinc/53/97/11/580539711.db2.gz MKZGPDIWMBIQSX-VHDGCEQUSA-N 0 3 334.416 1.730 20 10 EDCDHN C[C@@H](O)CN1CCN(Cc2ccc(N3CCOCC3)cc2)[C@@H](C)C1 ZINC000793593279 580848521 /nfs/dbraw/zinc/84/85/21/580848521.db2.gz XCGHVOQNVKWJRO-DLBZAZTESA-N 0 3 333.476 1.410 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cn3c(n2)CCC3)N(C)C)cc1 ZINC000891248558 591017271 /nfs/dbraw/zinc/01/72/71/591017271.db2.gz YQIRRZJFPPJKLL-QGZVFWFLSA-N 0 3 341.459 1.928 20 10 EDCDHN CCN1CCOC[C@H]1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891249342 591018268 /nfs/dbraw/zinc/01/82/68/591018268.db2.gz REYHDLPDGKKYRF-MSOLQXFVSA-N 0 3 348.491 1.192 20 10 EDCDHN Cc1cc(OCC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)no1 ZINC000891255448 591022354 /nfs/dbraw/zinc/02/23/54/591022354.db2.gz PLAWEFSJFNWSMH-INIZCTEOSA-N 0 3 346.431 1.847 20 10 EDCDHN COc1ccc(CN2CCN(CC(C)(C)O)[C@@H](C)C2)c(O)c1OC ZINC000893877355 591126258 /nfs/dbraw/zinc/12/62/58/591126258.db2.gz HHSMYWQCVARQQZ-ZDUSSCGKSA-N 0 3 338.448 1.686 20 10 EDCDHN O=C1NCC2(CCOCC2)[C@@H]1NCc1ccc(N2CCCC2)cc1 ZINC000895772510 591270790 /nfs/dbraw/zinc/27/07/90/591270790.db2.gz GFURYWSYHAMHBZ-QGZVFWFLSA-N 0 3 329.444 1.672 20 10 EDCDHN Cc1cc(Br)cc(C[NH2+]CCN2CCNC2=O)c1[O-] ZINC000895813600 591279120 /nfs/dbraw/zinc/27/91/20/591279120.db2.gz HPELSDAPKRQQQS-UHFFFAOYSA-N 0 3 328.210 1.578 20 10 EDCDHN COC(=O)c1c(CNC[C@]2(O)CCOC2)c2cc(F)ccc2n1C ZINC000894359784 591289188 /nfs/dbraw/zinc/28/91/88/591289188.db2.gz RJAZJYTWGSIELE-QGZVFWFLSA-N 0 3 336.363 1.345 20 10 EDCDHN CC[C@H]1C(=O)NCCCN1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000898557879 591410194 /nfs/dbraw/zinc/41/01/94/591410194.db2.gz KOLYMNIDZQEWMR-SFHVURJKSA-N 0 3 330.476 1.539 20 10 EDCDHN COC(=O)c1nccc(NC[C@H](c2ccc(N(C)C)cc2)N(C)C)n1 ZINC000897523667 591523853 /nfs/dbraw/zinc/52/38/53/591523853.db2.gz WYJACFNBJWKWGQ-OAHLLOKOSA-N 0 3 343.431 1.466 20 10 EDCDHN C[C@@H]1COC[C@H]1NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000896642157 591560778 /nfs/dbraw/zinc/56/07/78/591560778.db2.gz WRSSHPCEQQCTSZ-KBRIMQKVSA-N 0 3 334.464 1.689 20 10 EDCDHN O=C1OCCCN1C1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000897590840 591571828 /nfs/dbraw/zinc/57/18/28/591571828.db2.gz DQJNGKCWXAJWMW-UHFFFAOYSA-N 0 3 334.372 1.928 20 10 EDCDHN C[C@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C(C)(C)O ZINC000899097090 591677335 /nfs/dbraw/zinc/67/73/35/591677335.db2.gz ZUUNNHIYJSTBEZ-BBRMVZONSA-N 0 3 336.480 1.814 20 10 EDCDHN CC(C)[C@@H](O)CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899100599 591690023 /nfs/dbraw/zinc/69/00/23/591690023.db2.gz AWXSDMJTNLYHLE-SJORKVTESA-N 0 3 336.480 1.671 20 10 EDCDHN COc1ccc(CN2CC[C@H](N(C)C(=O)N(C)C)C2)c(O)c1OC ZINC000895437463 591758028 /nfs/dbraw/zinc/75/80/28/591758028.db2.gz VRRFWHXPNQNPPA-ZDUSSCGKSA-N 0 3 337.420 1.597 20 10 EDCDHN Fc1cc(CN[C@H]2CCO[C@@]23CCOC3)ccc1N1CCOCC1 ZINC000903072527 592119595 /nfs/dbraw/zinc/11/95/95/592119595.db2.gz KGGZERPLGCEEGH-ZWKOTPCHSA-N 0 3 336.407 1.700 20 10 EDCDHN CO[C@@]1(C[NH2+][C@H](C)c2c(C)cc(C)cc2[O-])CCS(=O)(=O)C1 ZINC000903363061 592159014 /nfs/dbraw/zinc/15/90/14/592159014.db2.gz LTXKYHQXGNPZHM-CZUORRHYSA-N 0 3 327.446 1.863 20 10 EDCDHN COc1ccc(O)c(CNC(=O)CCCN2CCN(C(C)C)CC2)c1 ZINC000901129162 592244344 /nfs/dbraw/zinc/24/43/44/592244344.db2.gz AESMQZRGISZTGS-UHFFFAOYSA-N 0 3 349.475 1.823 20 10 EDCDHN COc1cc(Br)cc(CN2CCC[C@]([NH3+])(CO)C2)c1[O-] ZINC000904403018 592250629 /nfs/dbraw/zinc/25/06/29/592250629.db2.gz ZAYVFCIKNBGGFZ-CQSZACIVSA-N 0 3 345.237 1.449 20 10 EDCDHN CON1CCC(CC(=O)NC[C@H](N)c2ccc(N(C)C)cc2)CC1 ZINC000911666150 592973640 /nfs/dbraw/zinc/97/36/40/592973640.db2.gz HNBBPUSXUORKIS-KRWDZBQOSA-N 0 3 334.464 1.532 20 10 EDCDHN C[C@H]1NCCn2c(C(=O)NC[C@H](N)c3ccc(N(C)C)cc3)ccc21 ZINC000911667377 592974119 /nfs/dbraw/zinc/97/41/19/592974119.db2.gz QKCJNODPPFBVKC-CJNGLKHVSA-N 0 3 341.459 1.648 20 10 EDCDHN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(CCN(C)C)C(C)C ZINC000807100641 593144988 /nfs/dbraw/zinc/14/49/88/593144988.db2.gz MLEFIMBNHFMLSO-UHFFFAOYSA-N 0 3 348.491 1.476 20 10 EDCDHN C[C@@H](NC(=O)NC[C@H]1CCCN1CCCO)c1ccc(N(C)C)cc1 ZINC000838558957 593187426 /nfs/dbraw/zinc/18/74/26/593187426.db2.gz IXLWTSQYUCKKBC-CRAIPNDOSA-N 0 3 348.491 1.960 20 10 EDCDHN OC[C@H](O)CNCc1ccc(N2CCCCC2)c(Br)c1 ZINC000839029745 593255553 /nfs/dbraw/zinc/25/55/53/593255553.db2.gz JONCIVGIGZHKGG-CYBMUJFWSA-N 0 3 343.265 1.882 20 10 EDCDHN CCN1CCN(CCC(=O)N[C@@H](C)c2cc(OC)ccc2O)CC1 ZINC000103528767 593370119 /nfs/dbraw/zinc/37/01/19/593370119.db2.gz ADLHNYMTEVJCKA-AWEZNQCLSA-N 0 3 335.448 1.606 20 10 EDCDHN C[C@@H](CN(C)C)NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000806438432 593445901 /nfs/dbraw/zinc/44/59/01/593445901.db2.gz DVTYMDYRLLNMOH-AWEZNQCLSA-N 0 3 336.505 1.989 20 10 EDCDHN CN1CCN(c2ccc(CN3C[C@H](CO)OC(C)(C)C3)cc2)CC1 ZINC000817412491 593603239 /nfs/dbraw/zinc/60/32/39/593603239.db2.gz LTQZYWWODUBKJS-GOSISDBHSA-N 0 3 333.476 1.410 20 10 EDCDHN Cc1cc(C)c([C@H](C)[NH2+]CCS(=O)(=O)N2CCOCC2)c([O-])c1 ZINC000815591465 593643391 /nfs/dbraw/zinc/64/33/91/593643391.db2.gz IEDPYRSDCHZABG-AWEZNQCLSA-N 0 3 342.461 1.322 20 10 EDCDHN CCOC(=O)[C@H]1NCC[C@@H]1NCc1ccc(N2CCSCC2)cc1 ZINC000817889335 593645582 /nfs/dbraw/zinc/64/55/82/593645582.db2.gz SPQVGRXNVCGYJG-IRXDYDNUSA-N 0 3 349.500 1.623 20 10 EDCDHN CCOC(=O)[C@@H]1NCC[C@H]1N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000817892093 593646105 /nfs/dbraw/zinc/64/61/05/593646105.db2.gz QNDZIKVTGYHPOB-ZTFGCOKTSA-N 0 3 347.459 1.467 20 10 EDCDHN COCC(C)(C)N1CCN(Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000819895392 593774748 /nfs/dbraw/zinc/77/47/48/593774748.db2.gz NHESNEBHYLJMGK-MRXNPFEDSA-N 0 3 336.432 1.361 20 10 EDCDHN CN(Cc1ccc(N2CCN(C)CC2)cc1)[C@H]1CCN2CCO[C@H]1C2 ZINC000824501635 594025528 /nfs/dbraw/zinc/02/55/28/594025528.db2.gz QUQAUFMCRHCVMT-PMACEKPBSA-N 0 3 344.503 1.343 20 10 EDCDHN COc1cccc(O)c1CN(C)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000824564287 594039412 /nfs/dbraw/zinc/03/94/12/594039412.db2.gz HQDYRCDDNWAMAT-LBPRGKRZSA-N 0 3 340.420 1.718 20 10 EDCDHN CNC(=O)C[C@H](C)[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000825067863 594125276 /nfs/dbraw/zinc/12/52/76/594125276.db2.gz GEAIHWFCKLAFSN-QMMMGPOBSA-N 0 3 331.210 1.778 20 10 EDCDHN CCOc1ccc(O)c(CN2CCN([C@H]3CCNC(=O)CC3)CC2)c1 ZINC000825148272 594136558 /nfs/dbraw/zinc/13/65/58/594136558.db2.gz RYCWTXQDDKPJEZ-MRXNPFEDSA-N 0 3 347.459 1.577 20 10 EDCDHN C[C@@H](NC(=O)C(N)C(F)(F)F)c1ccc(N2CCOCC2)cc1 ZINC000827726348 594265808 /nfs/dbraw/zinc/26/58/08/594265808.db2.gz XOURNWJESRUPHF-ZWNOBZJWSA-N 0 3 331.338 1.590 20 10 EDCDHN COC1CCN(c2ccc(CN(C)[C@@]3(CO)CCOC3)cc2)CC1 ZINC000828762594 594497482 /nfs/dbraw/zinc/49/74/82/594497482.db2.gz YKESXUIUMDLHLC-LJQANCHMSA-N 0 3 334.460 1.885 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)C2(C(=O)NC3CC3)CCC2)cc1 ZINC000832274124 594739589 /nfs/dbraw/zinc/73/95/89/594739589.db2.gz SNYXMVVKNPXEBH-INIZCTEOSA-N 0 3 344.459 1.318 20 10 EDCDHN COCc1ncsc1C(=O)NC[C@H](N)c1ccc(N(C)C)cc1 ZINC000832284535 594740193 /nfs/dbraw/zinc/74/01/93/594740193.db2.gz KQOZEWXLFHAORX-ZDUSSCGKSA-N 0 3 334.445 1.785 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNC(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000832293393 594740817 /nfs/dbraw/zinc/74/08/17/594740817.db2.gz VUPMCNZZVGGYQN-MRXNPFEDSA-N 0 3 341.411 1.954 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)CCCNC(=O)C2CC2)cc1 ZINC000832299410 594741159 /nfs/dbraw/zinc/74/11/59/594741159.db2.gz AJCXWZZEEGQIBQ-INIZCTEOSA-N 0 3 332.448 1.175 20 10 EDCDHN CCN(CC)c1ccc(CNC(=O)NC[C@H]2CNCCO2)cc1F ZINC000841799625 594955176 /nfs/dbraw/zinc/95/51/76/594955176.db2.gz YVULOADITXKKKU-CQSZACIVSA-N 0 3 338.427 1.460 20 10 EDCDHN CC[C@H]1CCCCN1CCNC(=O)C(=O)NCCc1ccc(N)cc1 ZINC000842094889 595016222 /nfs/dbraw/zinc/01/62/22/595016222.db2.gz XBZNNVHHEUFJBU-KRWDZBQOSA-N 0 3 346.475 1.308 20 10 EDCDHN CC(=O)N1CC[C@](C)(C(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)C1 ZINC000843298328 595065873 /nfs/dbraw/zinc/06/58/73/595065873.db2.gz NSYKNQXGGBSIQE-AEFFLSMTSA-N 0 3 332.448 1.127 20 10 EDCDHN CCOC(=O)C1(C(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)CCCC1 ZINC000843298687 595066797 /nfs/dbraw/zinc/06/67/97/595066797.db2.gz PTWPMXWCCINBIY-MRXNPFEDSA-N 0 3 347.459 1.992 20 10 EDCDHN Cc1cc(S(=O)(=O)NC[C@H](N)c2ccc(N(C)C)cc2)c(C)o1 ZINC000842784880 595197284 /nfs/dbraw/zinc/19/72/84/595197284.db2.gz MWBMWBSFAWPENT-HNNXBMFYSA-N 0 3 337.445 1.941 20 10 EDCDHN CCc1cccc(C[NH2+][C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c1[O-] ZINC000848900558 595464734 /nfs/dbraw/zinc/46/47/34/595464734.db2.gz NXCJEDZMVNBZNK-RDJZCZTQSA-N 0 3 339.457 1.781 20 10 EDCDHN COC(=O)CCN1CC[C@@H](N[C@@H](C)c2ccc(N(C)C)cc2)C1=O ZINC000849321128 595505668 /nfs/dbraw/zinc/50/56/68/595505668.db2.gz XQSQVZMZDRKVIY-XJKSGUPXSA-N 0 3 333.432 1.567 20 10 EDCDHN COC(=O)c1cc(C(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)c(C)o1 ZINC000852792052 595545044 /nfs/dbraw/zinc/54/50/44/595545044.db2.gz PRIQWGMFZMHHFX-OAHLLOKOSA-N 0 3 345.399 1.870 20 10 EDCDHN CCCN(Cc1ccccc1O)C(=O)C(=O)N(C)CC1CN(C)C1 ZINC000850626467 595561959 /nfs/dbraw/zinc/56/19/59/595561959.db2.gz WOIGHAMHARCROP-UHFFFAOYSA-N 0 3 333.432 1.151 20 10 EDCDHN CS(=O)(=O)C1(C[NH2+]Cc2cc3c(cc2[O-])OCO3)CCCCC1 ZINC000850376908 595822425 /nfs/dbraw/zinc/82/24/25/595822425.db2.gz NTGYRDFVTUKSTE-UHFFFAOYSA-N 0 3 341.429 1.958 20 10 EDCDHN CS(=O)(=O)C1(CNCc2cc3c(cc2O)OCO3)CCCCC1 ZINC000850376908 595822428 /nfs/dbraw/zinc/82/24/28/595822428.db2.gz NTGYRDFVTUKSTE-UHFFFAOYSA-N 0 3 341.429 1.958 20 10 EDCDHN CC[C@H](NC1CN(S(=O)(=O)N(C)C)C1)c1ccc(C)cc1O ZINC000858572255 595832165 /nfs/dbraw/zinc/83/21/65/595832165.db2.gz RGBXYQSVCMYZBY-AWEZNQCLSA-N 0 3 327.450 1.232 20 10 EDCDHN C[C@@H](NC[C@](O)(C(N)=O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000851950862 595982938 /nfs/dbraw/zinc/98/29/38/595982938.db2.gz TUBPRIBLIVICPR-AUUYWEPGSA-N 0 3 327.428 1.776 20 10 EDCDHN C[NH2+]CCOCCNC(=O)NCc1cc(Br)ccc1[O-] ZINC000861677060 596064635 /nfs/dbraw/zinc/06/46/35/596064635.db2.gz WXFHNFLICFQIQG-UHFFFAOYSA-N 0 3 346.225 1.190 20 10 EDCDHN CCOCCn1cc(C(=O)NC[C@H](N)c2ccc(N(C)C)cc2)cn1 ZINC000856993578 596133138 /nfs/dbraw/zinc/13/31/38/596133138.db2.gz FSOUCYYWEMXLIZ-KRWDZBQOSA-N 0 3 345.447 1.415 20 10 EDCDHN COc1ccc(N2CCC(NC3CN(c4ccncn4)C3)CC2)cc1 ZINC000865747095 596668715 /nfs/dbraw/zinc/66/87/15/596668715.db2.gz OFTWOGQXLJPMSU-UHFFFAOYSA-N 0 3 339.443 1.932 20 10 EDCDHN CCCOc1ccc(CNCCn2cc(C(=O)OC)nn2)cc1C ZINC000873123975 597204933 /nfs/dbraw/zinc/20/49/33/597204933.db2.gz PHSXWZPWIGRDAK-UHFFFAOYSA-N 0 3 332.404 1.952 20 10 EDCDHN Cc1cn2c(n1)C[C@H](C(=O)NC[C@H](N)c1ccc(N(C)C)cc1)CC2 ZINC000876506587 597224335 /nfs/dbraw/zinc/22/43/35/597224335.db2.gz MANUHCGHTDYDSK-WBVHZDCISA-N 0 3 341.459 1.636 20 10 EDCDHN CC(C)(CO)N1CCN(Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876746425 597319238 /nfs/dbraw/zinc/31/92/38/597319238.db2.gz XAEFOHNTJKCRMN-UHFFFAOYSA-N 0 3 347.503 1.536 20 10 EDCDHN O=C1C[C@@H](NCc2cc(F)c(N3CCOCC3)c(F)c2)CCCN1 ZINC000877582334 597538325 /nfs/dbraw/zinc/53/83/25/597538325.db2.gz QQUVQEJJOQFWBS-ZDUSSCGKSA-N 0 3 339.386 1.560 20 10 EDCDHN C[C@@H]([NH2+][C@H]1CCCN(CCN2CCOCC2)C1)c1ccccc1[O-] ZINC000883371088 597725530 /nfs/dbraw/zinc/72/55/30/597725530.db2.gz YOSDZKRCIRXOQA-SJORKVTESA-N 0 3 333.476 1.839 20 10 EDCDHN NC(=O)[C@H]1CCCN(c2ccc(CNCc3ccncc3N)cc2)C1 ZINC000882908868 598100649 /nfs/dbraw/zinc/10/06/49/598100649.db2.gz GXJFUDXGCXTVFW-INIZCTEOSA-N 0 3 339.443 1.655 20 10 EDCDHN O=C(CNC[C@H]1CCCO1)NCc1ccc(N2CCSCC2)cc1 ZINC000237933730 698519169 /nfs/dbraw/zinc/51/91/69/698519169.db2.gz OYLGHRHLAXTAJV-QGZVFWFLSA-N 0 3 349.500 1.625 20 10 EDCDHN CCCN(CC(=O)N(C)Cc1cnn(C)c1)Cc1ccccc1O ZINC000068973606 699010537 /nfs/dbraw/zinc/01/05/37/699010537.db2.gz VEDDPBORQJQSPR-UHFFFAOYSA-N 0 3 330.432 1.996 20 10 EDCDHN COCCN1CC[C@@H](N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001033699345 708525258 /nfs/dbraw/zinc/52/52/58/708525258.db2.gz NGKNQYKFCJSENX-CQSZACIVSA-N 0 3 333.392 1.642 20 10 EDCDHN CCN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@H]1CCN(C[C@H](C)O)C1 ZINC001034053040 709281876 /nfs/dbraw/zinc/28/18/76/709281876.db2.gz OCQPIFOHSOFMQW-WFASDCNBSA-N 0 3 347.419 1.766 20 10 EDCDHN CCOc1cccc(CN2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1O ZINC000093821102 237024202 /nfs/dbraw/zinc/02/42/02/237024202.db2.gz PZHLWLCMFRWIMY-INIZCTEOSA-N 0 3 347.459 1.529 20 10 EDCDHN CN(C)c1ccc(CN2CCO[C@H](CN3CCN(C)CC3)C2)cc1 ZINC000372416152 250219048 /nfs/dbraw/zinc/21/90/48/250219048.db2.gz MSHQCKXDBRRSOK-LJQANCHMSA-N 0 3 332.492 1.201 20 10 EDCDHN COc1ccc(N2CCCN(CCC(=O)OC[C@@H](C)O)CC2)cc1 ZINC000370467145 250207067 /nfs/dbraw/zinc/20/70/67/250207067.db2.gz ADVIGEHOBJNMHD-OAHLLOKOSA-N 0 3 336.432 1.521 20 10 EDCDHN COCCNCC(=O)N(C)C1CCN(c2ccc(OC)cc2)CC1 ZINC000378208046 250298843 /nfs/dbraw/zinc/29/88/43/250298843.db2.gz FIPMGRNITULYMK-UHFFFAOYSA-N 0 3 335.448 1.358 20 10 EDCDHN CCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N1CCN(C(C)=O)CC1 ZINC000076074456 441593700 /nfs/dbraw/zinc/59/37/00/441593700.db2.gz MXENLDFTLMDJGY-OAHLLOKOSA-N 0 3 347.459 1.683 20 10 EDCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N1CCN(C(C)=O)CC1 ZINC000076074456 441593704 /nfs/dbraw/zinc/59/37/04/441593704.db2.gz MXENLDFTLMDJGY-OAHLLOKOSA-N 0 3 347.459 1.683 20 10 EDCDHN CSCC[C@@H](N)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000165415705 442209523 /nfs/dbraw/zinc/20/95/23/442209523.db2.gz DRSLUDFMLSGDMC-CQSZACIVSA-N 0 3 341.452 1.359 20 10 EDCDHN Nc1ccc(CCNC(=O)CC2(N3CCOCC3)CCCC2)cc1 ZINC000152489265 442219102 /nfs/dbraw/zinc/21/91/02/442219102.db2.gz SHVIGGUYSFVCAJ-UHFFFAOYSA-N 0 3 331.460 1.963 20 10 EDCDHN COc1ccc(N2CCN(C(=O)CN(C)C[C@H]3CCOC3)CC2)cc1 ZINC000178337488 442425787 /nfs/dbraw/zinc/42/57/87/442425787.db2.gz RXOQNGJWDPBCMV-MRXNPFEDSA-N 0 3 347.459 1.312 20 10 EDCDHN COc1ccc(N2CCCN(CCN3CCO[C@H](C)C3)CC2)cc1 ZINC000192724054 442680311 /nfs/dbraw/zinc/68/03/11/442680311.db2.gz VVEHXXVSLTZBDB-QGZVFWFLSA-N 0 3 333.476 1.928 20 10 EDCDHN CNC(=O)c1ccn([C@H]2CCCN(Cc3cccc(OC)c3O)C2)n1 ZINC000275470792 443628249 /nfs/dbraw/zinc/62/82/49/443628249.db2.gz HTKYBUAQEYIRGB-AWEZNQCLSA-N 0 3 344.415 1.794 20 10 EDCDHN CCOc1ccc(O)c(CN(C)CCOCCOCCOC)c1 ZINC000276248990 443676360 /nfs/dbraw/zinc/67/63/60/443676360.db2.gz UWEAWDFWJGCQDG-UHFFFAOYSA-N 0 3 327.421 1.902 20 10 EDCDHN CC[C@H]([NH2+]C[C@@H]1CCn2ncc(C(N)=O)c2C1)c1ccccc1[O-] ZINC000280996612 443792382 /nfs/dbraw/zinc/79/23/82/443792382.db2.gz NIEVIEOLOQUKFW-DOMZBBRYSA-N 0 3 328.416 1.991 20 10 EDCDHN COc1cc(O)c(CN2CCC[C@](O)(Cn3ccnn3)C2)cc1OC ZINC000284912972 443793703 /nfs/dbraw/zinc/79/37/03/443793703.db2.gz BZSLWJHHULFGTJ-QGZVFWFLSA-N 0 3 348.403 1.028 20 10 EDCDHN CNC(=O)[C@]1(C)CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000281073441 443811314 /nfs/dbraw/zinc/81/13/14/443811314.db2.gz KXEIEELJLWLTLF-LJQANCHMSA-N 0 3 346.475 1.169 20 10 EDCDHN Cc1cc(Cl)cc(C[NH+]2CCC3(CC2)NC(=O)N(C)C3=O)c1[O-] ZINC000289487084 444156929 /nfs/dbraw/zinc/15/69/29/444156929.db2.gz RFVKJPPRFIUFCB-UHFFFAOYSA-N 0 3 337.807 1.870 20 10 EDCDHN COC[C@@]1(C(=O)OC)CC[N@H+](Cc2cc(OC)c(OC)cc2[O-])C1 ZINC000295009977 444163769 /nfs/dbraw/zinc/16/37/69/444163769.db2.gz JJEQZBNZPDAGPY-QGZVFWFLSA-N 0 3 339.388 1.421 20 10 EDCDHN COC[C@@]1(C(=O)OC)CC[N@@H+](Cc2cc(OC)c(OC)cc2[O-])C1 ZINC000295009977 444163770 /nfs/dbraw/zinc/16/37/70/444163770.db2.gz JJEQZBNZPDAGPY-QGZVFWFLSA-N 0 3 339.388 1.421 20 10 EDCDHN COC[C@@]1(C(=O)OC)CCN(Cc2cc(OC)c(OC)cc2O)C1 ZINC000295009977 444163772 /nfs/dbraw/zinc/16/37/72/444163772.db2.gz JJEQZBNZPDAGPY-QGZVFWFLSA-N 0 3 339.388 1.421 20 10 EDCDHN COc1ccc(O)c(CNC[C@@H](N2CCOCC2)C(F)(F)F)c1 ZINC000289854874 444212013 /nfs/dbraw/zinc/21/20/13/444212013.db2.gz VCTHJHLNWVPHNR-CQSZACIVSA-N 0 3 334.338 1.754 20 10 EDCDHN COC(=O)c1cn([C@H]2CCN(Cc3cc(OC)ccc3O)C2)nn1 ZINC000363904921 445883860 /nfs/dbraw/zinc/88/38/60/445883860.db2.gz BSBZSZNDHCEAGE-LBPRGKRZSA-N 0 3 332.360 1.226 20 10 EDCDHN CCOc1cccc(CN[C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)c1O ZINC000742390076 579450445 /nfs/dbraw/zinc/45/04/45/579450445.db2.gz ATQSGUWNTQDIGG-SWLSCSKDSA-N 0 3 344.415 1.808 20 10 EDCDHN COc1ccc(O)c([C@H](C)NC(=O)NCCOCCN(C)C)c1 ZINC000788016924 578541690 /nfs/dbraw/zinc/54/16/90/578541690.db2.gz HJQFHNUVLDXVIJ-LBPRGKRZSA-N 0 3 325.409 1.339 20 10 EDCDHN CN1CCCc2cc(CNC(=O)NCCNc3ccncc3)ccc21 ZINC000729605674 578584257 /nfs/dbraw/zinc/58/42/57/578584257.db2.gz URRWUMODYBVGPE-UHFFFAOYSA-N 0 3 339.443 1.797 20 10 EDCDHN CCN1CCC[C@H]1CN(CCN(C)C)C(=O)C1=CC(=O)CS1 ZINC000732281266 578702425 /nfs/dbraw/zinc/70/24/25/578702425.db2.gz VZPQPMZEEOTNNB-ZDUSSCGKSA-N 0 3 325.478 1.942 20 10 EDCDHN CNS(=O)(=O)CCCN(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000734847288 578840073 /nfs/dbraw/zinc/84/00/73/578840073.db2.gz GXFAPNONKHGRMM-UHFFFAOYSA-N 0 3 325.478 1.656 20 10 EDCDHN O=C(NC1CC1)N[C@@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000761230444 580052347 /nfs/dbraw/zinc/05/23/47/580052347.db2.gz ZDQGDPLTLBKIIB-QGZVFWFLSA-N 0 3 344.459 1.559 20 10 EDCDHN COc1ccc(N2CCN(C(=O)CN(C)C3CCOCC3)CC2)cc1 ZINC000746667307 579605862 /nfs/dbraw/zinc/60/58/62/579605862.db2.gz HLYDIWVXWBQKIB-UHFFFAOYSA-N 0 3 347.459 1.455 20 10 EDCDHN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCCCN2CCN(C)CC2)c1 ZINC000756408488 579949614 /nfs/dbraw/zinc/94/96/14/579949614.db2.gz OOXLYKNDMNXUTA-OAHLLOKOSA-N 0 3 349.475 1.857 20 10 EDCDHN COc1ccc(O)c([C@H](C)NCCS(=O)(=O)NC(C)(C)C)c1 ZINC000756484520 579950799 /nfs/dbraw/zinc/95/07/99/579950799.db2.gz XTMONAFSQOGTBL-NSHDSACASA-N 0 3 330.450 1.769 20 10 EDCDHN Cc1cccc(CNc2cnn(CC(=O)NCCN(C)C)c2)c1O ZINC000757911280 579972901 /nfs/dbraw/zinc/97/29/01/579972901.db2.gz VMMKOYRRHPDYSX-UHFFFAOYSA-N 0 3 331.420 1.187 20 10 EDCDHN COc1ccc(N2CCC(NCC(=O)N3CCN(C)CC3)CC2)cc1 ZINC000765417333 580141687 /nfs/dbraw/zinc/14/16/87/580141687.db2.gz QGROVEWZTJDTKX-UHFFFAOYSA-N 0 3 346.475 1.028 20 10 EDCDHN CCOC[C@H](C)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765980829 580155777 /nfs/dbraw/zinc/15/57/77/580155777.db2.gz SCPDIRDLUAFDTC-AWEZNQCLSA-N 0 3 326.462 1.436 20 10 EDCDHN O=C(C1CC[NH+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1)N1CCCC1 ZINC000768441315 580212822 /nfs/dbraw/zinc/21/28/22/580212822.db2.gz GDOICGHYBADEPM-QGZVFWFLSA-N 0 3 346.427 1.652 20 10 EDCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H]1CN1CCOCC1)[C@@H](O)CO2 ZINC000768466186 580214251 /nfs/dbraw/zinc/21/42/51/580214251.db2.gz NQZSVUUVRMBUPG-PBHICJAKSA-N 0 3 334.416 1.115 20 10 EDCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H]1CN1CCOCC1)[C@@H](O)CO2 ZINC000768466186 580214252 /nfs/dbraw/zinc/21/42/52/580214252.db2.gz NQZSVUUVRMBUPG-PBHICJAKSA-N 0 3 334.416 1.115 20 10 EDCDHN O=C1CC2(CN1)CCN(Cc1ccc(N3CCOCC3)c(F)c1)CC2 ZINC000769447243 580237366 /nfs/dbraw/zinc/23/73/66/580237366.db2.gz XOSOFMRAYHXECA-UHFFFAOYSA-N 0 3 347.434 1.764 20 10 EDCDHN CCN(C)c1ccc(CN2CCC3(CC2)NC(=O)N(C)C3=O)cc1 ZINC000773813441 580346880 /nfs/dbraw/zinc/34/68/80/580346880.db2.gz GQBUOZUVXBRVOC-UHFFFAOYSA-N 0 3 330.432 1.659 20 10 EDCDHN C[C@@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccnn1C ZINC000774133737 580354738 /nfs/dbraw/zinc/35/47/38/580354738.db2.gz HCJMPHPZADAMPS-ZBFHGGJFSA-N 0 3 341.459 1.973 20 10 EDCDHN CCN1CCN(C(=O)[C@@H](C)N[C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000775834931 580402186 /nfs/dbraw/zinc/40/21/86/580402186.db2.gz WBNYEIIKCPZREQ-JKSUJKDBSA-N 0 3 332.492 1.956 20 10 EDCDHN O=C(NCc1ccc(O)c(O)c1)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000778921393 580475588 /nfs/dbraw/zinc/47/55/88/580475588.db2.gz ABJUJHRIJYFIGQ-IBGZPJMESA-N 0 3 342.395 1.351 20 10 EDCDHN COC[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1CCCO1 ZINC000788534656 580723886 /nfs/dbraw/zinc/72/38/86/580723886.db2.gz HRJBWNNAVVSARQ-SJLPKXTDSA-N 0 3 338.423 1.946 20 10 EDCDHN C[C@H]1OCC[C@]12CN(Cc1ccc(N3CCN(C)CC3)cc1)CCO2 ZINC000793230040 580838925 /nfs/dbraw/zinc/83/89/25/580838925.db2.gz CNTVMFSDNOXENR-XLIONFOSSA-N 0 3 345.487 1.818 20 10 EDCDHN CN1CCN(c2ccc(CN3CC[C@@H]4NC(=O)OC[C@H]4C3)cc2)CC1 ZINC000798957548 581012341 /nfs/dbraw/zinc/01/23/41/581012341.db2.gz FUNYSWRGESDIRJ-AEFFLSMTSA-N 0 3 344.459 1.369 20 10 EDCDHN COc1ccc([O-])c(C[NH2+][C@H]2CCC[C@H]2CNS(C)(=O)=O)c1 ZINC000800541944 581054674 /nfs/dbraw/zinc/05/46/74/581054674.db2.gz WWAMEKYIKDXJMC-FZMZJTMJSA-N 0 3 328.434 1.208 20 10 EDCDHN COc1ccc(C[NH2+]CC2(CS(C)(=O)=O)CC2)c([O-])c1OC ZINC000893101039 590660830 /nfs/dbraw/zinc/66/08/30/590660830.db2.gz FONAFJZWIJIPCX-UHFFFAOYSA-N 0 3 329.418 1.324 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)N(C)C)cc1 ZINC000891242407 591013395 /nfs/dbraw/zinc/01/33/95/591013395.db2.gz GBANEDCPQRDXGK-SGYMCOKNSA-N 0 3 343.471 1.895 20 10 EDCDHN CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891246807 591015935 /nfs/dbraw/zinc/01/59/35/591015935.db2.gz POLIWVBZBPGCJJ-MSOLQXFVSA-N 0 3 346.475 1.482 20 10 EDCDHN Cc1ccn(CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)n1 ZINC000891247355 591016386 /nfs/dbraw/zinc/01/63/86/591016386.db2.gz JCDNKJDRUSINKY-KRWDZBQOSA-N 0 3 329.448 1.677 20 10 EDCDHN COC[C@]1(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CCOC1 ZINC000891247298 591016806 /nfs/dbraw/zinc/01/68/06/591016806.db2.gz HZIXQMHGZVNYPO-PKOBYXMFSA-N 0 3 349.475 1.525 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@@]2(O)CCSC2)N(C)C)cc1 ZINC000891247635 591017047 /nfs/dbraw/zinc/01/70/47/591017047.db2.gz INHGUMLXBAPBTM-NVXWUHKLSA-N 0 3 337.489 1.340 20 10 EDCDHN COC(=O)CCCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891249126 591018947 /nfs/dbraw/zinc/01/89/47/591018947.db2.gz QIUQUXPOWAVUQT-MRXNPFEDSA-N 0 3 335.448 1.815 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)CCn2cccn2)N(C)C)cc1 ZINC000891251137 591019608 /nfs/dbraw/zinc/01/96/08/591019608.db2.gz AAHWZECORQTJRQ-QGZVFWFLSA-N 0 3 329.448 1.758 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)CNC(=O)C(C)(C)C)N(C)C)cc1 ZINC000891254989 591021801 /nfs/dbraw/zinc/02/18/01/591021801.db2.gz LSFTXWLQZOLOTR-MRXNPFEDSA-N 0 3 348.491 1.634 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)c2ccn(C)c(=O)c2)N(C)C)cc1 ZINC000891256234 591022466 /nfs/dbraw/zinc/02/24/66/591022466.db2.gz VYTOOQUWRWSLPA-KRWDZBQOSA-N 0 3 342.443 1.484 20 10 EDCDHN C[C@H]1CN(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)[C@@H](C)CN1 ZINC000892938802 591231428 /nfs/dbraw/zinc/23/14/28/591231428.db2.gz CSUAEFLSOIEACC-HOTGVXAUSA-N 0 3 345.491 1.330 20 10 EDCDHN C[C@@H](CS(C)(=O)=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898450250 591353670 /nfs/dbraw/zinc/35/36/70/591353670.db2.gz PIYBKQPZPGSRMW-BBRMVZONSA-N 0 3 327.494 1.378 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)NCCC2(O)CCC2)N(C)C)cc1 ZINC000894702579 591391989 /nfs/dbraw/zinc/39/19/89/591391989.db2.gz IXRAQVCRPAPFIE-QGZVFWFLSA-N 0 3 348.491 1.960 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)N[C@H]2CCCC[C@@H]2O)N(C)C)cc1 ZINC000899101730 591682725 /nfs/dbraw/zinc/68/27/25/591682725.db2.gz LLLZOBUZOHDRIQ-BZSNNMDCSA-N 0 3 348.491 1.958 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)N2CCC[C@]2(C)CO)N(C)C)cc1 ZINC000899103572 591683277 /nfs/dbraw/zinc/68/32/77/591683277.db2.gz MWUVTNIOMXITKJ-PKOBYXMFSA-N 0 3 348.491 1.912 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)N2CC[C@@H](CO)C2)N(C)C)cc1 ZINC000899098866 591688015 /nfs/dbraw/zinc/68/80/15/591688015.db2.gz UFGNVXDFBQMQQW-PBHICJAKSA-N 0 3 334.464 1.379 20 10 EDCDHN C[C@@H]1CN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CC[C@@H]1O ZINC000899100901 591689726 /nfs/dbraw/zinc/68/97/26/591689726.db2.gz CPVUXHSSKMBQRR-OLMNPRSZSA-N 0 3 348.491 1.768 20 10 EDCDHN CCc1noc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)n1 ZINC000903046647 592113364 /nfs/dbraw/zinc/11/33/64/592113364.db2.gz VQTKWVANORMKNL-CQSZACIVSA-N 0 3 331.420 1.731 20 10 EDCDHN Cc1cc(C)c([C@H](C)NCCS(=O)(=O)N=S(C)(C)=O)c(O)c1 ZINC000903227961 592143619 /nfs/dbraw/zinc/14/36/19/592143619.db2.gz WLOVVRNAMABPOL-LBPRGKRZSA-N 0 3 348.490 1.717 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)[C@]2(C)CCNC(=O)C2)N(C)C)cc1 ZINC000900863645 592150750 /nfs/dbraw/zinc/15/07/50/592150750.db2.gz PQBVMVXPPMLBEL-QFBILLFUSA-N 0 3 346.475 1.388 20 10 EDCDHN CCCCN(Cc1ccccc1O)C(=O)C(=O)N1C[C@@H](N)C(C)(C)C1 ZINC000903750873 592295421 /nfs/dbraw/zinc/29/54/21/592295421.db2.gz WAPIFOOXQJQDIV-MRXNPFEDSA-N 0 3 347.459 1.717 20 10 EDCDHN CN(C)c1ccc(CNC(=O)C(=O)N2CCC[C@@H]3CC[C@]32CN)cc1 ZINC000910994067 592908187 /nfs/dbraw/zinc/90/81/87/592908187.db2.gz USXWJFIMLIFZOI-BEFAXECRSA-N 0 3 344.459 1.099 20 10 EDCDHN COc1cc(O)c(CNCc2ccc(CC(N)=O)cc2)cc1OC ZINC000811510206 593472415 /nfs/dbraw/zinc/47/24/15/593472415.db2.gz YZMZYEDHDRKJFU-UHFFFAOYSA-N 0 3 330.384 1.727 20 10 EDCDHN COc1cc([O-])c(C[NH2+]Cc2ccc(CC(N)=O)cc2)cc1OC ZINC000811510206 593472416 /nfs/dbraw/zinc/47/24/16/593472416.db2.gz YZMZYEDHDRKJFU-UHFFFAOYSA-N 0 3 330.384 1.727 20 10 EDCDHN CCCN(Cc1ccccc1O)C(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000817764315 593629223 /nfs/dbraw/zinc/62/92/23/593629223.db2.gz UFPFWALFNWONKA-INIZCTEOSA-N 0 3 347.459 1.683 20 10 EDCDHN C[C@@H]([NH2+]CC(=O)N1CCNCC1)c1cc(Br)ccc1[O-] ZINC000817946307 593650981 /nfs/dbraw/zinc/65/09/81/593650981.db2.gz WGYILAXIQGWVPV-SNVBAGLBSA-N 0 3 342.237 1.237 20 10 EDCDHN COC[C@@H](O)CNCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000818966374 593730982 /nfs/dbraw/zinc/73/09/82/593730982.db2.gz JTVQTXMGATWBJS-GUTXKFCHSA-N 0 3 326.412 1.536 20 10 EDCDHN O[C@H](CNCc1ccc(N2CCC(O)CC2)c(F)c1)Cn1cccn1 ZINC000819120451 593739977 /nfs/dbraw/zinc/73/99/77/593739977.db2.gz BRTVHKMLIVJPJA-MRXNPFEDSA-N 0 3 348.422 1.134 20 10 EDCDHN CN(C)[C@@]1(CN2C(=O)CN(Cc3ccccc3O)C2=O)CCSC1 ZINC000819165418 593742212 /nfs/dbraw/zinc/74/22/12/593742212.db2.gz WAJGTSXVUORPEN-QGZVFWFLSA-N 0 3 349.456 1.594 20 10 EDCDHN C[C@@H]1CN(c2ccc(CNC(=O)C3(N)CCC3)cc2F)C[C@H](C)O1 ZINC000827364560 594665070 /nfs/dbraw/zinc/66/50/70/594665070.db2.gz IJCWIBUOFQJOOB-BETUJISGSA-N 0 3 335.423 1.937 20 10 EDCDHN CCn1nncc1CNCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000841855607 594966098 /nfs/dbraw/zinc/96/60/98/594966098.db2.gz CFPZOXAGILOZRH-UHFFFAOYSA-N 0 3 344.463 1.218 20 10 EDCDHN COc1ccc(CNS(=O)(=O)CCCN2CCCC2)c(O)c1 ZINC000867217904 595050602 /nfs/dbraw/zinc/05/06/02/595050602.db2.gz RQEDZJVIHCYYGA-UHFFFAOYSA-N 0 3 328.434 1.306 20 10 EDCDHN C[C@@H]1CCn2ncc(C(=O)NC[C@@H](N)c3ccc(N(C)C)cc3)c2C1 ZINC000843296572 595065609 /nfs/dbraw/zinc/06/56/09/595065609.db2.gz BEXHVAQWCUOOJM-CXAGYDPISA-N 0 3 341.459 1.961 20 10 EDCDHN CC(C)[C@H](N)C(=O)NCC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000843485669 595126137 /nfs/dbraw/zinc/12/61/37/595126137.db2.gz MWLJXMQLHSZSGX-SFHVURJKSA-N 0 3 348.491 1.589 20 10 EDCDHN CCN(C)c1ccc([C@H](C)N[C@H]2CCN(S(C)(=O)=O)C2)cc1 ZINC000846186678 595167808 /nfs/dbraw/zinc/16/78/08/595167808.db2.gz ZJAPZEKVPYNHRR-ZFWWWQNUSA-N 0 3 325.478 1.827 20 10 EDCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@]2(O)CCS(=O)(=O)C2)c1[O-] ZINC000834871813 595236532 /nfs/dbraw/zinc/23/65/32/595236532.db2.gz SZFZZEFKJKUAPN-HZMBPMFUSA-N 0 3 333.837 1.554 20 10 EDCDHN COc1cc(Br)cc(CN2CCO[C@H]([C@H](C)[NH3+])C2)c1[O-] ZINC000843058111 595276170 /nfs/dbraw/zinc/27/61/70/595276170.db2.gz PNXYUZJNFGRSPD-ZANVPECISA-N 0 3 345.237 1.711 20 10 EDCDHN CCc1cccc(C[NH2+]C[C@H]2CCC[C@]23NC(=O)N(C)C3=O)c1[O-] ZINC000848898388 595464914 /nfs/dbraw/zinc/46/49/14/595464914.db2.gz UUPZUYSMHRIAOA-KDOFPFPSSA-N 0 3 331.416 1.765 20 10 EDCDHN N[C@H](CC(F)F)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000852868427 595587786 /nfs/dbraw/zinc/58/77/86/595587786.db2.gz FDFHNBFTGJVADS-CQSZACIVSA-N 0 3 327.375 1.246 20 10 EDCDHN c1nnc2ccc(N3CC[C@@H](NCc4ccc5c(c4)CCO5)C3)nn12 ZINC000858244843 595742011 /nfs/dbraw/zinc/74/20/11/595742011.db2.gz JAJSHNJICAVWGI-OAHLLOKOSA-N 0 3 336.399 1.428 20 10 EDCDHN Cc1noc([C@@H]2OCC[C@@H]2NCc2ccc(N3CCOCC3)cc2)n1 ZINC000858326800 595765302 /nfs/dbraw/zinc/76/53/02/595765302.db2.gz FICMNWWHTXMWAU-DLBZAZTESA-N 0 3 344.415 1.834 20 10 EDCDHN COC(=O)[C@@]1(OC)CCN(Cc2cc(OC)c(OC)cc2O)C1 ZINC000862475568 596334765 /nfs/dbraw/zinc/33/47/65/596334765.db2.gz OULACIVVOIILNN-MRXNPFEDSA-N 0 3 325.361 1.173 20 10 EDCDHN CCc1cccc(C[NH+]2CCC(n3cc(C(N)=O)nn3)CC2)c1[O-] ZINC000862483337 596334849 /nfs/dbraw/zinc/33/48/49/596334849.db2.gz KMTCQMFOVARTEB-UHFFFAOYSA-N 0 3 329.404 1.482 20 10 EDCDHN CCOc1cccc(CN2CCC(n3cc(C(N)=O)nn3)CC2)c1O ZINC000862483819 596334938 /nfs/dbraw/zinc/33/49/38/596334938.db2.gz UOQQVIYWAVGYIZ-UHFFFAOYSA-N 0 3 345.403 1.318 20 10 EDCDHN CCOc1cccc(C[NH+]2CCC(n3cc(C(N)=O)nn3)CC2)c1[O-] ZINC000862483819 596334942 /nfs/dbraw/zinc/33/49/42/596334942.db2.gz UOQQVIYWAVGYIZ-UHFFFAOYSA-N 0 3 345.403 1.318 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNC(=O)c2cnn(CC3CC3)c2)cc1 ZINC000870932330 596410784 /nfs/dbraw/zinc/41/07/84/596410784.db2.gz DHMVRZANAUZUAR-QGZVFWFLSA-N 0 3 327.432 1.789 20 10 EDCDHN COCCN(CC1CC[NH+](C)CC1)C(=O)c1ccc(C)c(O)c1[O-] ZINC000869763216 596621563 /nfs/dbraw/zinc/62/15/63/596621563.db2.gz ZAMJRYBFZCFKOZ-UHFFFAOYSA-N 0 3 336.432 1.837 20 10 EDCDHN COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c(OC)c1 ZINC000870163593 596782519 /nfs/dbraw/zinc/78/25/19/596782519.db2.gz ARWIIJSURYTTHS-INIZCTEOSA-N 0 3 333.432 1.447 20 10 EDCDHN Cn1nnnc1C1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000877781471 597555852 /nfs/dbraw/zinc/55/58/52/597555852.db2.gz ILMWIQZXAXKWIT-UHFFFAOYSA-N 0 3 342.447 1.426 20 10 EDCDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)NC(=O)NCC(F)(F)F ZINC000879651260 597674705 /nfs/dbraw/zinc/67/47/05/597674705.db2.gz PCEMGMVSLZMONC-DTWKUNHWSA-N 0 3 333.310 1.819 20 10 EDCDHN Cc1ccc(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)c(O)c1O ZINC000267601106 249367172 /nfs/dbraw/zinc/36/71/72/249367172.db2.gz PDCBIIJQNPDUTH-AWEZNQCLSA-N 0 3 349.431 1.079 20 10 EDCDHN COC(=O)c1cn([C@H]2CCN(Cc3cccc(OC)c3O)C2)nn1 ZINC000375199350 250281107 /nfs/dbraw/zinc/28/11/07/250281107.db2.gz AZNXNVFKEUGBAX-LBPRGKRZSA-N 0 3 332.360 1.226 20 10 EDCDHN C[C@H]1C[C@@H](N2CCOCC2)CN1Cc1ccc(N2CCOCC2)cc1 ZINC000377713793 250291215 /nfs/dbraw/zinc/29/12/15/250291215.db2.gz BGMVXFLQYJBWEW-FXAWDEMLSA-N 0 3 345.487 1.818 20 10 EDCDHN CN(C)c1ccc(CN(C)C(=O)CN2CCCN(C3CC3)CC2)cc1 ZINC000061040722 441264821 /nfs/dbraw/zinc/26/48/21/441264821.db2.gz MPXKWHDLIRDHFO-UHFFFAOYSA-N 0 3 344.503 1.881 20 10 EDCDHN C[C@@H](CN1CCOCC1)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000091531000 441709061 /nfs/dbraw/zinc/70/90/61/441709061.db2.gz OCUMGFPPXIYRQL-KRWDZBQOSA-N 0 3 333.476 1.676 20 10 EDCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H](CN3CCOCC3)C1)OCO2 ZINC000069796766 442043215 /nfs/dbraw/zinc/04/32/15/442043215.db2.gz NTCCKQGKRCBCLM-AWEZNQCLSA-N 0 3 334.416 1.665 20 10 EDCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H](CN3CCOCC3)C1)OCO2 ZINC000069796766 442043220 /nfs/dbraw/zinc/04/32/20/442043220.db2.gz NTCCKQGKRCBCLM-AWEZNQCLSA-N 0 3 334.416 1.665 20 10 EDCDHN CC(=O)c1cc(F)cc(CN2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1[O-] ZINC000079436706 442048855 /nfs/dbraw/zinc/04/88/55/442048855.db2.gz XKBHPBXVRCSUQN-KRWDZBQOSA-N 0 3 349.450 1.946 20 10 EDCDHN CC(=O)c1cc(F)cc(CN2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1[O-] ZINC000079436706 442048859 /nfs/dbraw/zinc/04/88/59/442048859.db2.gz XKBHPBXVRCSUQN-KRWDZBQOSA-N 0 3 349.450 1.946 20 10 EDCDHN CC(C)CS(=O)(=O)N1CCC([NH2+]Cc2ccccc2[O-])CC1 ZINC000181114234 442680860 /nfs/dbraw/zinc/68/08/60/442680860.db2.gz UHURNZLKUGLOOE-UHFFFAOYSA-N 0 3 326.462 1.932 20 10 EDCDHN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C1CCN(C)CC1 ZINC000266136277 443030896 /nfs/dbraw/zinc/03/08/96/443030896.db2.gz ABUDYXOVUIDOCK-UHFFFAOYSA-N 0 3 331.460 1.823 20 10 EDCDHN COc1ccc(N2CCN(CCCNCc3nccn3C)CC2)cc1 ZINC000272897730 443483400 /nfs/dbraw/zinc/48/34/00/443483400.db2.gz OYMLHSCXRBTXJZ-UHFFFAOYSA-N 0 3 343.475 1.731 20 10 EDCDHN CN(C)c1ccc(CN(C)C(=O)CN(CCO)C2CCOCC2)cc1 ZINC000275601355 443633140 /nfs/dbraw/zinc/63/31/40/443633140.db2.gz RPPBFQLSOHJWTB-UHFFFAOYSA-N 0 3 349.475 1.184 20 10 EDCDHN COc1cc([O-])c(C[NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)cc1OC ZINC000284284019 443771902 /nfs/dbraw/zinc/77/19/02/443771902.db2.gz ATHTUWDNLDYQLJ-BLLLJJGKSA-N 0 3 327.421 1.657 20 10 EDCDHN Cc1ccc([C@@H](C)NCCNS(=O)(=O)NC(C)C)c(O)c1C ZINC000277213645 443938732 /nfs/dbraw/zinc/93/87/32/443938732.db2.gz WYEGPSQNXQKZGZ-CYBMUJFWSA-N 0 3 329.466 1.492 20 10 EDCDHN Cc1ccc([C@@H](C)[NH2+]CCNS(=O)(=O)NC(C)C)c([O-])c1C ZINC000277213645 443938734 /nfs/dbraw/zinc/93/87/34/443938734.db2.gz WYEGPSQNXQKZGZ-CYBMUJFWSA-N 0 3 329.466 1.492 20 10 EDCDHN CC[C@H](C)N1CCN(CC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000295980387 444197385 /nfs/dbraw/zinc/19/73/85/444197385.db2.gz JCSBDPNWLOWXJR-INIZCTEOSA-N 0 3 332.492 1.785 20 10 EDCDHN CCOc1cccc(C[N@@H+]2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)c1[O-] ZINC000289786756 444203110 /nfs/dbraw/zinc/20/31/10/444203110.db2.gz RVSIEVZVAVNUPS-FZKQIMNGSA-N 0 3 347.415 1.744 20 10 EDCDHN CCOc1cccc(C[N@H+]2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)c1[O-] ZINC000289786756 444203112 /nfs/dbraw/zinc/20/31/12/444203112.db2.gz RVSIEVZVAVNUPS-FZKQIMNGSA-N 0 3 347.415 1.744 20 10 EDCDHN CO[C@@H](CN)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000290156467 444249104 /nfs/dbraw/zinc/24/91/04/444249104.db2.gz NQEDBSIWCGWGLM-FZMZJTMJSA-N 0 3 343.374 1.347 20 10 EDCDHN COc1cc(O)c(CN[C@@H]2COc3ccccc3[C@H]2O)cc1OC ZINC000290117544 444244796 /nfs/dbraw/zinc/24/47/96/444244796.db2.gz IRKSADIPAPDWDC-FZKQIMNGSA-N 0 3 331.368 1.994 20 10 EDCDHN CN(C)c1ccc(CN(C)C(=O)C(=O)N2CCN3CCC[C@@H]3C2)cc1 ZINC000297708382 444322083 /nfs/dbraw/zinc/32/20/83/444322083.db2.gz DATSHOUVKMJGEV-QGZVFWFLSA-N 0 3 344.459 1.018 20 10 EDCDHN CN(C)c1ccc(CN(C)C(=O)CN2C[C@H]3CCC[C@@H](C2)C3O)cc1 ZINC000361010759 445743739 /nfs/dbraw/zinc/74/37/39/445743739.db2.gz FTAKZVOVQCWDNT-XEWABKELSA-N 0 3 345.487 1.804 20 10 EDCDHN COc1ccc(O)c([C@@H](C)N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)c1 ZINC000367303197 446532621 /nfs/dbraw/zinc/53/26/21/446532621.db2.gz XFCUBEIGXVEKJF-VXGBXAGGSA-N 0 3 345.403 1.489 20 10 EDCDHN CCc1noc([C@]2(O)CCN(Cc3cc(OC)c(OC)cc3O)C2)n1 ZINC000368136832 446661916 /nfs/dbraw/zinc/66/19/16/446661916.db2.gz WLXMLPZHPQBYEB-KRWDZBQOSA-N 0 3 349.387 1.448 20 10 EDCDHN CN1C2(CCC2)COC[C@@]1(CO)CNCc1ccc2c(c1)CCO2 ZINC000527753640 448352552 /nfs/dbraw/zinc/35/25/52/448352552.db2.gz MISWNMKXTXRGGR-IBGZPJMESA-N 0 3 332.444 1.327 20 10 EDCDHN COCCCN(C)CCNC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000743641056 579486607 /nfs/dbraw/zinc/48/66/07/579486607.db2.gz FCMBQZDQRWRTHF-CYBMUJFWSA-N 0 3 339.436 1.729 20 10 EDCDHN COCCN(C)CCNC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000729052538 578557369 /nfs/dbraw/zinc/55/73/69/578557369.db2.gz MHQNZFVWNSPQJO-GFCCVEGCSA-N 0 3 325.409 1.339 20 10 EDCDHN CN(C)C(=O)CCN1CCN(Cc2cc3c(cc2O)CCC3)CC1 ZINC000760414613 580030246 /nfs/dbraw/zinc/03/02/46/580030246.db2.gz LUXAVDRITHKSCC-UHFFFAOYSA-N 0 3 331.460 1.477 20 10 EDCDHN COCCN1CCC[C@@H]1CNC(=O)NCc1cc(OC)ccc1O ZINC000734069468 578797650 /nfs/dbraw/zinc/79/76/50/578797650.db2.gz MALHMUGKMZIFBA-CQSZACIVSA-N 0 3 337.420 1.311 20 10 EDCDHN COc1ccc(O)c(CNC(=O)NC[C@]2(N(C)C)CCSC2)c1 ZINC000748632604 579695858 /nfs/dbraw/zinc/69/58/58/579695858.db2.gz LHEBRIYNEXQCHE-MRXNPFEDSA-N 0 3 339.461 1.637 20 10 EDCDHN C[C@@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cnn(C)c1 ZINC000765250929 580138554 /nfs/dbraw/zinc/13/85/54/580138554.db2.gz DSEWLUAJZIYSBZ-ZBFHGGJFSA-N 0 3 341.459 1.973 20 10 EDCDHN C[C@H](N[C@H]1CCCN(C)C1=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000766436100 580166900 /nfs/dbraw/zinc/16/69/00/580166900.db2.gz GERWNWNIMCLGIG-BBRMVZONSA-N 0 3 335.423 1.934 20 10 EDCDHN C[C@@H](Cn1cccn1)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000769541248 580239618 /nfs/dbraw/zinc/23/96/18/580239618.db2.gz RZNQWSOVNCTAAX-RDJZCZTQSA-N 0 3 341.459 1.763 20 10 EDCDHN CC(=O)N[C@@H]1CCCN(C(=O)CN[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000775827372 580402086 /nfs/dbraw/zinc/40/20/86/580402086.db2.gz KRAWHHOURSIZQM-WMLDXEAASA-N 0 3 346.475 1.530 20 10 EDCDHN CCO[C@@H]1C[C@H](NCc2ccc(N3CCN(C)CC3)cc2)[C@H]1OC ZINC000775979237 580405653 /nfs/dbraw/zinc/40/56/53/580405653.db2.gz SVBCPWRPCUZSAZ-IPMKNSEASA-N 0 3 333.476 1.720 20 10 EDCDHN Cc1cc([O-])c(C[NH2+][C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)cc1C ZINC000776496501 580418600 /nfs/dbraw/zinc/41/86/00/580418600.db2.gz AUHRRYRLQCUYED-DOTOQJQBSA-N 0 3 339.457 1.835 20 10 EDCDHN CCCN(C)CC(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1 ZINC000787321990 580692913 /nfs/dbraw/zinc/69/29/13/580692913.db2.gz LZWVPSFZMVKIOQ-UHFFFAOYSA-N 0 3 346.475 1.313 20 10 EDCDHN CN1CCN(c2ccc(CN3C[C@@H]4CCC[C@H]4[C@@H]3C(N)=O)cc2)CC1 ZINC000787423445 580695124 /nfs/dbraw/zinc/69/51/24/580695124.db2.gz NEOKVHKLRSNUFT-QXAKKESOSA-N 0 3 342.487 1.524 20 10 EDCDHN CNC(=O)CCCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891247441 591016339 /nfs/dbraw/zinc/01/63/39/591016339.db2.gz HJLIBSGTDHASDL-INIZCTEOSA-N 0 3 334.464 1.388 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)CCc2ccncn2)N(C)C)cc1 ZINC000891247436 591016637 /nfs/dbraw/zinc/01/66/37/591016637.db2.gz HIVVVDYHNZTOFN-GOSISDBHSA-N 0 3 341.459 1.894 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)CCc2cn[nH]c2)N(C)C)cc1 ZINC000891247747 591017391 /nfs/dbraw/zinc/01/73/91/591017391.db2.gz KBYIFIJVLSFKSN-KRWDZBQOSA-N 0 3 329.448 1.827 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)COCC(F)F)N(C)C)cc1 ZINC000891248581 591017570 /nfs/dbraw/zinc/01/75/70/591017570.db2.gz ZEYBXULOABCVHT-AWEZNQCLSA-N 0 3 329.391 1.753 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)CNCC(F)(F)F)N(C)C)cc1 ZINC000891252970 591020425 /nfs/dbraw/zinc/02/04/25/591020425.db2.gz OQYRYUSSRRHWGD-AWEZNQCLSA-N 0 3 346.397 1.623 20 10 EDCDHN CNC(=O)C1(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CCC1 ZINC000891253021 591021015 /nfs/dbraw/zinc/02/10/15/591021015.db2.gz PBTCMIBYEQMKCN-MRXNPFEDSA-N 0 3 346.475 1.388 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)NCc2nccn2C)N(C)C)cc1 ZINC000892765280 591166903 /nfs/dbraw/zinc/16/69/03/591166903.db2.gz RUAGXLCDAREJGB-MRXNPFEDSA-N 0 3 344.463 1.588 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)N2C[C@H]3C[C@@]3(O)C2)N(C)C)cc1 ZINC000899097905 591676264 /nfs/dbraw/zinc/67/62/64/591676264.db2.gz IRLXNSBSWDMUJT-UWWQBHOKSA-N 0 3 332.448 1.132 20 10 EDCDHN CC[C@@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C(=O)NC ZINC000899097485 591678128 /nfs/dbraw/zinc/67/81/28/591678128.db2.gz BGYVIOPOSGBIFB-CVEARBPZSA-N 0 3 349.479 1.179 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)N2CC=C[C@H]2CO)N(C)C)cc1 ZINC000899098517 591688021 /nfs/dbraw/zinc/68/80/21/591688021.db2.gz PFICVWFTMSQWBH-DLBZAZTESA-N 0 3 332.448 1.298 20 10 EDCDHN CCN(CC)c1ccc(CN2CCC3(CC2)C[C@@H](O)CNC3=O)cc1 ZINC000897040404 591722346 /nfs/dbraw/zinc/72/23/46/591722346.db2.gz HXIURALQWMBRKH-GOSISDBHSA-N 0 3 345.487 1.996 20 10 EDCDHN CN1CCN(c2ccc(CN[C@@H](C(N)=O)c3ccccc3)cc2)CC1 ZINC000905790492 592641830 /nfs/dbraw/zinc/64/18/30/592641830.db2.gz XEHGHPFLMJYJTA-LJQANCHMSA-N 0 3 338.455 1.755 20 10 EDCDHN C[C@H](NC(=O)C(=O)N1CC[C@H]2CC[C@@]21CN)c1ccc(N(C)C)cc1 ZINC000911228181 592969866 /nfs/dbraw/zinc/96/98/66/592969866.db2.gz XYBYBULIVHHVMV-ZBQZNYHESA-N 0 3 344.459 1.270 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNC(=O)[C@]2(N)C[C@H]2c2ccccc2)cc1 ZINC000911667364 592973997 /nfs/dbraw/zinc/97/39/97/592973997.db2.gz QIPKLJMSSVBEQS-NSHGMRRFSA-N 0 3 338.455 1.754 20 10 EDCDHN COc1ccc(N(C)CCN(C)C(=O)C[C@]2(O)CCCN(C)C2)cc1 ZINC000911891995 593031867 /nfs/dbraw/zinc/03/18/67/593031867.db2.gz ICODQWNOWQQGCA-LJQANCHMSA-N 0 3 349.475 1.437 20 10 EDCDHN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H]1CCCCN1CCO ZINC000838477243 593177293 /nfs/dbraw/zinc/17/72/93/593177293.db2.gz FPKYWRDYKGGMTD-GOSISDBHSA-N 0 3 348.491 1.707 20 10 EDCDHN C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)CCN1C ZINC000806041148 593182582 /nfs/dbraw/zinc/18/25/82/593182582.db2.gz SYIFOFUVTOAUTA-ZBFHGGJFSA-N 0 3 346.475 1.310 20 10 EDCDHN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H]1CN2CCN1CCC2 ZINC000839919289 593213649 /nfs/dbraw/zinc/21/36/49/593213649.db2.gz GMHQRWBGYRDKBM-LPHOPBHVSA-N 0 3 344.503 1.498 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN(CC)[C@@H]1CCOC1)cc2=O ZINC000812877732 593511808 /nfs/dbraw/zinc/51/18/08/593511808.db2.gz FYZLWTLQLQQTHD-GFCCVEGCSA-N 0 3 334.376 1.222 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN(CC)[C@H]1CCOC1)cc2=O ZINC000812877733 593511811 /nfs/dbraw/zinc/51/18/11/593511811.db2.gz FYZLWTLQLQQTHD-LBPRGKRZSA-N 0 3 334.376 1.222 20 10 EDCDHN C[C@@H](NC[C@H]1CNCCO1)c1ccc(N2CCOCC2)cc1Cl ZINC000817982368 593653376 /nfs/dbraw/zinc/65/33/76/593653376.db2.gz CUOXVIRPRBLLPO-UKRRQHHQSA-N 0 3 339.867 1.816 20 10 EDCDHN CCOC[C@H](O)CNCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000819033554 593734704 /nfs/dbraw/zinc/73/47/04/593734704.db2.gz QJJBYCKOBLFLJV-MRXNPFEDSA-N 0 3 339.455 1.455 20 10 EDCDHN CN(C)c1ccc(CNC(=O)CN2CCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1 ZINC000831158264 594571231 /nfs/dbraw/zinc/57/12/31/594571231.db2.gz DSSQDLLIJKRHSG-QRVBRYPASA-N 0 3 345.487 1.994 20 10 EDCDHN COc1cc(Cl)cc(C[NH2+]C[C@@]2(OCCO)CCOC2)c1[O-] ZINC000826943699 594607246 /nfs/dbraw/zinc/60/72/46/594607246.db2.gz YNUPDSSJBZMGRX-HNNXBMFYSA-N 0 3 331.796 1.312 20 10 EDCDHN CCN(CC)c1ccc(CN(CCN(C)C)CC(=O)N(C)C)cc1 ZINC000827157421 594648980 /nfs/dbraw/zinc/64/89/80/594648980.db2.gz BITRJWUEPQQQNU-UHFFFAOYSA-N 0 3 334.508 1.985 20 10 EDCDHN COc1cc(O)c(CN[C@H]2CC[C@@H](C)S(=O)(=O)C2)cc1OC ZINC000827173151 594650393 /nfs/dbraw/zinc/65/03/93/594650393.db2.gz VSBMBZZXNCCZNL-PWSUYJOCSA-N 0 3 329.418 1.465 20 10 EDCDHN CC(=O)N1CCN(c2ccc(CNC(=O)[C@H](N)CC(C)C)cc2)CC1 ZINC000832172130 594732101 /nfs/dbraw/zinc/73/21/01/594732101.db2.gz DAHZZXYRHDZWNA-GOSISDBHSA-N 0 3 346.475 1.345 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNC(=O)CN2CCCCCCC2=O)cc1 ZINC000832273221 594739577 /nfs/dbraw/zinc/73/95/77/594739577.db2.gz LYFFCSGVGMUULZ-QGZVFWFLSA-N 0 3 346.475 1.661 20 10 EDCDHN C[C@H](NC(=O)c1ccco1)C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1 ZINC000832283942 594740174 /nfs/dbraw/zinc/74/01/74/594740174.db2.gz DKTLGKJQCQVCNA-SWLSCSKDSA-N 0 3 344.415 1.280 20 10 EDCDHN Cc1cc(C)n(CCC(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)n1 ZINC000832293364 594740735 /nfs/dbraw/zinc/74/07/35/594740735.db2.gz VNDHMMJPCQYOBW-QGZVFWFLSA-N 0 3 329.448 1.772 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNC(=O)c2n[nH]c3c2CCCC3)cc1 ZINC000832299554 594741167 /nfs/dbraw/zinc/74/11/67/594741167.db2.gz DCCRYUDRPRHQST-OAHLLOKOSA-N 0 3 327.432 1.784 20 10 EDCDHN CNS(=O)(=O)C1CCN(Cc2ccc(N(C)C)cc2C)CC1 ZINC000840918061 594827760 /nfs/dbraw/zinc/82/77/60/594827760.db2.gz PRLSZDQABOFCPV-UHFFFAOYSA-N 0 3 325.478 1.575 20 10 EDCDHN COc1ccc(CNC(=O)Nc2ccnn2CCN(C)C)c(O)c1 ZINC000836700973 594989792 /nfs/dbraw/zinc/98/97/92/594989792.db2.gz YUDBMPQOFIDBHQ-UHFFFAOYSA-N 0 3 333.392 1.481 20 10 EDCDHN CCCC[C@H](CN)NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000842170492 595028568 /nfs/dbraw/zinc/02/85/68/595028568.db2.gz HBWJTPCSEJZOAT-MRXNPFEDSA-N 0 3 344.459 1.313 20 10 EDCDHN C[C@@H](CN)N(C)C(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000842214681 595041753 /nfs/dbraw/zinc/04/17/53/595041753.db2.gz OHWJVSFMAXCXII-HNNXBMFYSA-N 0 3 346.475 1.345 20 10 EDCDHN COc1cc([O-])c(C[NH2+]CC(C)(C)[C@]2(O)CCOC2)cc1OC ZINC000843428663 595108448 /nfs/dbraw/zinc/10/84/48/595108448.db2.gz LOZTUALTKIUAHD-KRWDZBQOSA-N 0 3 325.405 1.677 20 10 EDCDHN COc1cccc([C@H](C)N[C@@H]2CCN(C3CCOCC3)C2=O)c1O ZINC000846152802 595158703 /nfs/dbraw/zinc/15/87/03/595158703.db2.gz DEMCWWNRNSXQFE-SWLSCSKDSA-N 0 3 334.416 1.831 20 10 EDCDHN COc1cccc([C@H](C)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)c1O ZINC000846154118 595159346 /nfs/dbraw/zinc/15/93/46/595159346.db2.gz KKDPCUWFEVCRJW-GXTWGEPZSA-N 0 3 344.415 1.981 20 10 EDCDHN C[C@@H]1C[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)C(=O)N1c1cnn(C)c1 ZINC000834724905 595198646 /nfs/dbraw/zinc/19/86/46/595198646.db2.gz DYYDOYSLPBCKOA-UGFHNGPFSA-N 0 3 326.400 1.897 20 10 EDCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H](C(=O)N3CCNCC3)C2)cc1C ZINC000843047672 595272539 /nfs/dbraw/zinc/27/25/39/595272539.db2.gz ZSBAPAGASAPUSC-MRXNPFEDSA-N 0 3 331.460 1.653 20 10 EDCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@@H](C(=O)N3CCNCC3)C2)cc1C ZINC000843047672 595272541 /nfs/dbraw/zinc/27/25/41/595272541.db2.gz ZSBAPAGASAPUSC-MRXNPFEDSA-N 0 3 331.460 1.653 20 10 EDCDHN Cc1cc(N(C)C)ccc1CN1CCC[C@@H](N2CCNCC2=O)C1 ZINC000843063402 595277627 /nfs/dbraw/zinc/27/76/27/595277627.db2.gz AXEAECVFJWFJBS-GOSISDBHSA-N 0 3 330.476 1.457 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)Cc2cn3ccccc3n2)cc1 ZINC000844162681 595287827 /nfs/dbraw/zinc/28/78/27/595287827.db2.gz LYULZDGBJBMAMS-KRWDZBQOSA-N 0 3 337.427 1.759 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)Cn2cnc3ccccc32)cc1 ZINC000844162459 595288110 /nfs/dbraw/zinc/28/81/10/595288110.db2.gz DAAMVRXSEZFCPD-INIZCTEOSA-N 0 3 337.427 1.919 20 10 EDCDHN COc1cc(Br)cc(CN2CCN(C)C[C@@H]2C[NH3+])c1[O-] ZINC000843120425 595291822 /nfs/dbraw/zinc/29/18/22/595291822.db2.gz KGIFTDAFJOGAQU-LBPRGKRZSA-N 0 3 344.253 1.238 20 10 EDCDHN CC1(OCC(=O)NCc2ccc(N3CCSCC3)cc2)CNC1 ZINC000844173775 595291877 /nfs/dbraw/zinc/29/18/77/595291877.db2.gz WQHDGTLSSHCLGS-UHFFFAOYSA-N 0 3 335.473 1.235 20 10 EDCDHN CN(C)CCn1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)n1 ZINC000847304629 595391564 /nfs/dbraw/zinc/39/15/64/595391564.db2.gz XGKVNEYSUMEKHE-UHFFFAOYSA-N 0 3 329.448 1.783 20 10 EDCDHN O=C(NCc1cc(Cl)ccc1O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000844954245 595419150 /nfs/dbraw/zinc/41/91/50/595419150.db2.gz PKEPTWSBRWZMOV-KBPBESRZSA-N 0 3 339.823 1.708 20 10 EDCDHN Cn1cc([C@@H]2CN(C)CC[C@H]2C(=O)NCc2ccc(O)c(O)c2)cn1 ZINC000849562753 595570060 /nfs/dbraw/zinc/57/00/60/595570060.db2.gz HAGGHNOAXPGMOO-CABCVRRESA-N 0 3 344.415 1.183 20 10 EDCDHN CN(C)c1cc(F)c(CNCCC(=O)N2CCN(C)CC2)cc1F ZINC000858126352 595706795 /nfs/dbraw/zinc/70/67/95/595706795.db2.gz YWAKJUJRUCETNA-UHFFFAOYSA-N 0 3 340.418 1.285 20 10 EDCDHN COC(=O)CCNC(=O)CC[NH2+][C@@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000858541581 595822908 /nfs/dbraw/zinc/82/29/08/595822908.db2.gz LYLXPLFOZBAGBN-ZDUSSCGKSA-N 0 3 348.443 1.991 20 10 EDCDHN OC1CCN(c2ccc(CNCc3cnc4cnccn34)cc2)CC1 ZINC000850405941 595828899 /nfs/dbraw/zinc/82/88/99/595828899.db2.gz LHLKKIWAEZOPPH-UHFFFAOYSA-N 0 3 337.427 1.980 20 10 EDCDHN CN1CCC(CC(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000856213185 595926578 /nfs/dbraw/zinc/92/65/78/595926578.db2.gz XYYISBQBKGKFOT-UHFFFAOYSA-N 0 3 345.487 1.996 20 10 EDCDHN [NH3+]CCCOCCNC(=O)NCc1cc(Br)ccc1[O-] ZINC000861693195 596071323 /nfs/dbraw/zinc/07/13/23/596071323.db2.gz QVHOXZLFFHTSIW-UHFFFAOYSA-N 0 3 346.225 1.319 20 10 EDCDHN CN1CCC[C@@H]1CNC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000852187885 596077969 /nfs/dbraw/zinc/07/79/69/596077969.db2.gz RBIZUPWBTOOTNY-QGZVFWFLSA-N 0 3 346.475 1.541 20 10 EDCDHN CN1CCC[C@@H]1[C@@H]1COCCN1C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000854642373 596145790 /nfs/dbraw/zinc/14/57/90/596145790.db2.gz LEOLDMROUBRLNM-IORUMNFESA-N 0 3 332.400 1.433 20 10 EDCDHN CN(CCN1CCCC1)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000112745645 596220318 /nfs/dbraw/zinc/22/03/18/596220318.db2.gz UTJRVFLOQGJCQZ-UHFFFAOYSA-N 0 3 346.475 1.760 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNC(=O)CCCOC2CCOCC2)cc1 ZINC000870932323 596410771 /nfs/dbraw/zinc/41/07/71/596410771.db2.gz DAHSJLFZXWYHMD-GOSISDBHSA-N 0 3 349.475 1.844 20 10 EDCDHN CCN(CC)c1ccc(CNC[C@]23COCCN2C(=O)COC3)cc1 ZINC000865799481 596688823 /nfs/dbraw/zinc/68/88/23/596688823.db2.gz AWTATDCYNFJUNH-LJQANCHMSA-N 0 3 347.459 1.250 20 10 EDCDHN CCN(C)c1ccc([C@H](C)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OC)cc1 ZINC000866439230 596887200 /nfs/dbraw/zinc/88/72/00/596887200.db2.gz DILDBMLJZABYOW-IHRRRGAJSA-N 0 3 335.448 1.860 20 10 EDCDHN O=C1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CCCCCCN1 ZINC000872667552 597022680 /nfs/dbraw/zinc/02/26/80/597022680.db2.gz JTPQFAYSDDLFBQ-INIZCTEOSA-N 0 3 334.416 1.700 20 10 EDCDHN O=C1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CCCCCCN1 ZINC000872667552 597022686 /nfs/dbraw/zinc/02/26/86/597022686.db2.gz JTPQFAYSDDLFBQ-INIZCTEOSA-N 0 3 334.416 1.700 20 10 EDCDHN COc1ccc(CN[C@@H]2CCC(=O)N(C)C2)cc1Cn1cccn1 ZINC000873056210 597174155 /nfs/dbraw/zinc/17/41/55/597174155.db2.gz BXUXZYCLWMLWAU-MRXNPFEDSA-N 0 3 328.416 1.650 20 10 EDCDHN CC(C)c1nccn1CC(=O)NC[C@H](N)c1ccc(N(C)C)cc1 ZINC000876506156 597224413 /nfs/dbraw/zinc/22/44/13/597224413.db2.gz GHTCTZDGJONEMR-INIZCTEOSA-N 0 3 329.448 1.889 20 10 EDCDHN COC(=O)C[C@]1(NCc2ccc(N3CCC(O)CC3)cc2)CCOC1 ZINC000877380459 597505798 /nfs/dbraw/zinc/50/57/98/597505798.db2.gz KWWZRPRGFLKMMK-LJQANCHMSA-N 0 3 348.443 1.460 20 10 EDCDHN CC(C)OC[C@H](CO)N(C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877531988 597532014 /nfs/dbraw/zinc/53/20/14/597532014.db2.gz SKMZMVFTIOBHAF-SFHVURJKSA-N 0 3 336.476 1.865 20 10 EDCDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCN(CC(C)(C)O)C2)c1[O-] ZINC000877665125 597546006 /nfs/dbraw/zinc/54/60/06/597546006.db2.gz IDCHIILTSPDIPV-ZDUSSCGKSA-N 0 3 328.840 1.989 20 10 EDCDHN COC(=O)[C@@]1(O)CCN(Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC000880565778 597965641 /nfs/dbraw/zinc/96/56/41/597965641.db2.gz OYLMUSLNJVTFMI-LJQANCHMSA-N 0 3 348.443 1.412 20 10 EDCDHN CCN(CC)c1ccc(CNC[C@]2(OC)CCS(=O)(=O)C2)cc1 ZINC000922615258 704138958 /nfs/dbraw/zinc/13/89/58/704138958.db2.gz MLBKEDOCOPTOCU-QGZVFWFLSA-N 0 3 340.489 1.826 20 10 EDCDHN CCN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@@H]1CCN(C[C@H](C)O)C1 ZINC001034053039 709282023 /nfs/dbraw/zinc/28/20/23/709282023.db2.gz OCQPIFOHSOFMQW-SWLSCSKDSA-N 0 3 347.419 1.766 20 10 EDCDHN CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@H](CC(N)=O)C2)cc1 ZINC000175222707 529780005 /nfs/dbraw/zinc/78/00/05/529780005.db2.gz JHXYKSUCVSDRMR-MRXNPFEDSA-N 0 3 346.475 1.298 20 10 EDCDHN COCCN(CCN(C)C)C(=O)NCc1ccc2c(c1)CCN2C ZINC000372446645 250220749 /nfs/dbraw/zinc/22/07/49/250220749.db2.gz MVQVVADLHXZCFG-UHFFFAOYSA-N 0 3 334.464 1.399 20 10 EDCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCC(=O)N[C@@H]2[C@H]2CCCO2)c1 ZINC000377746443 286339188 /nfs/dbraw/zinc/33/91/88/286339188.db2.gz OUHCUCBSQXICKQ-XBLNEZIDSA-N 0 3 334.416 1.878 20 10 EDCDHN COc1ccc(N2CCC(N(C)CC(=O)N3CCNC3=O)CC2)cc1 ZINC000072801134 441261204 /nfs/dbraw/zinc/26/12/04/441261204.db2.gz ONSPNXALVDARGO-UHFFFAOYSA-N 0 3 346.431 1.148 20 10 EDCDHN CN(C)c1ccc(CN(C)C(=O)CN2[C@@H]3CC[C@H]2CC(O)C3)cc1 ZINC000171976274 442395099 /nfs/dbraw/zinc/39/50/99/442395099.db2.gz ZEEOBPPRHWDURN-JWTNVVGKSA-N 0 3 331.460 1.699 20 10 EDCDHN COc1ccc(N2CCN(CCNCc3cccn3C)CC2)cc1 ZINC000265644843 442860260 /nfs/dbraw/zinc/86/02/60/442860260.db2.gz KFWFUGVBRYLUPB-UHFFFAOYSA-N 0 3 328.460 1.946 20 10 EDCDHN CCOC(=O)[C@@H](C)[C@@H](C)NCC(=O)NCc1ccc(N(C)C)cc1 ZINC000282976692 443485949 /nfs/dbraw/zinc/48/59/49/443485949.db2.gz DCVWCTPTEXTXBU-UONOGXRCSA-N 0 3 335.448 1.546 20 10 EDCDHN COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000271763598 443513035 /nfs/dbraw/zinc/51/30/35/443513035.db2.gz ZNOSUWMCJHMCOK-ZIAGYGMSSA-N 0 3 336.432 1.764 20 10 EDCDHN COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000271763598 443513039 /nfs/dbraw/zinc/51/30/39/443513039.db2.gz ZNOSUWMCJHMCOK-ZIAGYGMSSA-N 0 3 336.432 1.764 20 10 EDCDHN COc1ccc([O-])c(C[NH2+]C[C@@H]2C[C@H](F)CN2Cc2nccn2C)c1 ZINC000279983308 443652856 /nfs/dbraw/zinc/65/28/56/443652856.db2.gz REQMSAXPUUNRLX-GJZGRUSLSA-N 0 3 348.422 1.837 20 10 EDCDHN CN(C)c1ccc(CN(C)C(=O)C(=O)NCC2(N(C)C)CCC2)cc1 ZINC000287776047 443756936 /nfs/dbraw/zinc/75/69/36/443756936.db2.gz NACCWXIGPCYPPF-UHFFFAOYSA-N 0 3 346.475 1.312 20 10 EDCDHN C[C@H](NCCS(=O)(=O)N(C)C)c1ccc(N2CCOCC2)cc1 ZINC000285711407 444081665 /nfs/dbraw/zinc/08/16/65/444081665.db2.gz SJTNMJUAOWEOKG-AWEZNQCLSA-N 0 3 341.477 1.065 20 10 EDCDHN CCN(Cc1cc(Br)ccc1[O-])C(=O)C[C@H](C[NH3+])OC ZINC000278194201 444114473 /nfs/dbraw/zinc/11/44/73/444114473.db2.gz FULIPGXYTUDCEK-GFCCVEGCSA-N 0 3 345.237 1.867 20 10 EDCDHN NC(=O)[C@@H]1CN(Cc2cc3c(cc2O)OCO3)C[C@H]1C(F)(F)F ZINC000375399140 446773199 /nfs/dbraw/zinc/77/31/99/446773199.db2.gz FTCPSHQGVYKBDA-RKDXNWHRSA-N 0 3 332.278 1.217 20 10 EDCDHN Oc1cc2c(cc1CN1CCCC[C@H]1CN1CCOCC1)OCO2 ZINC000093012176 534449315 /nfs/dbraw/zinc/44/93/15/534449315.db2.gz KNZCUSZUEWAXOR-HNNXBMFYSA-N 0 3 334.416 1.808 20 10 EDCDHN [O-]c1cc2c(cc1C[N@@H+]1CCCC[C@H]1CN1CCOCC1)OCO2 ZINC000093012176 534449326 /nfs/dbraw/zinc/44/93/26/534449326.db2.gz KNZCUSZUEWAXOR-HNNXBMFYSA-N 0 3 334.416 1.808 20 10 EDCDHN [O-]c1cc2c(cc1C[N@H+]1CCCC[C@H]1CN1CCOCC1)OCO2 ZINC000093012176 534449333 /nfs/dbraw/zinc/44/93/33/534449333.db2.gz KNZCUSZUEWAXOR-HNNXBMFYSA-N 0 3 334.416 1.808 20 10 EDCDHN CC[C@@H](NCCOCCS(C)(=O)=O)c1ccc(N(C)C)cc1 ZINC000090102645 529166014 /nfs/dbraw/zinc/16/60/14/529166014.db2.gz ZZINTVDNETVHPE-MRXNPFEDSA-N 0 3 328.478 1.855 20 10 EDCDHN CN1CCC(N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)CC1 ZINC000760938918 580041945 /nfs/dbraw/zinc/04/19/45/580041945.db2.gz LWBOEHRXEDULRK-UHFFFAOYSA-N 0 3 337.807 1.904 20 10 EDCDHN CC(C)C(=O)NC[C@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768445021 580213086 /nfs/dbraw/zinc/21/30/86/580213086.db2.gz PVEJVZQAEQHIPJ-CXAGYDPISA-N 0 3 348.443 1.802 20 10 EDCDHN CC(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768445021 580213087 /nfs/dbraw/zinc/21/30/87/580213087.db2.gz PVEJVZQAEQHIPJ-CXAGYDPISA-N 0 3 348.443 1.802 20 10 EDCDHN COCCCOC1CC[NH+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000768449441 580213336 /nfs/dbraw/zinc/21/33/36/580213336.db2.gz ZGLCRUQANWPNRV-QGZVFWFLSA-N 0 3 337.416 1.836 20 10 EDCDHN CCOc1ccc(O)c(CN2CCC[C@H]2CS(=O)(=O)NC)c1 ZINC000769531458 580239349 /nfs/dbraw/zinc/23/93/49/580239349.db2.gz ATOBNUKOFIYSPK-ZDUSSCGKSA-N 0 3 328.434 1.305 20 10 EDCDHN C=Cn1cc(CNCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cn1 ZINC000774975844 580379597 /nfs/dbraw/zinc/37/95/97/580379597.db2.gz DBWJQHOBGHGIQF-KRWDZBQOSA-N 0 3 339.443 1.975 20 10 EDCDHN COCCCNC(=O)CN(C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775646907 580396218 /nfs/dbraw/zinc/39/62/18/580396218.db2.gz LNUBEPDQMLLTQH-UHFFFAOYSA-N 0 3 348.491 1.023 20 10 EDCDHN CC[C@@H](CO)N1CCN(Cc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC000775723541 580398526 /nfs/dbraw/zinc/39/85/26/580398526.db2.gz BFYCNLRTDNPPBN-IBGZPJMESA-N 0 3 346.519 1.327 20 10 EDCDHN CCO[C@@H]1C[C@@H](NCc2ccc(N3CCN(C)CC3)cc2)[C@@H]1OC ZINC000775979239 580405636 /nfs/dbraw/zinc/40/56/36/580405636.db2.gz SVBCPWRPCUZSAZ-QRVBRYPASA-N 0 3 333.476 1.720 20 10 EDCDHN COc1ccc(N2CCN(CCNCc3c(C)cnn3C)CC2)cc1 ZINC000796275901 580949794 /nfs/dbraw/zinc/94/97/94/580949794.db2.gz IQAUTDIPNIRRQT-UHFFFAOYSA-N 0 3 343.475 1.649 20 10 EDCDHN CCOc1cccc(C[NH2+]C[C@H]2CCCCN2S(C)(=O)=O)c1[O-] ZINC000796514285 580955510 /nfs/dbraw/zinc/95/55/10/580955510.db2.gz XLTQFQAPAASQNP-CQSZACIVSA-N 0 3 342.461 1.695 20 10 EDCDHN CCOc1cccc(CNC[C@H]2CCCCN2S(C)(=O)=O)c1O ZINC000796514285 580955511 /nfs/dbraw/zinc/95/55/11/580955511.db2.gz XLTQFQAPAASQNP-CQSZACIVSA-N 0 3 342.461 1.695 20 10 EDCDHN C[C@@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1cc(F)ccc1[O-] ZINC000797121502 580968611 /nfs/dbraw/zinc/96/86/11/580968611.db2.gz ZWJFMNOEQISJMW-YPMHNXCESA-N 0 3 330.425 1.996 20 10 EDCDHN COc1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)ncn1 ZINC000891243903 591014456 /nfs/dbraw/zinc/01/44/56/591014456.db2.gz VGXHLZMHIUALRS-MRXNPFEDSA-N 0 3 343.431 1.584 20 10 EDCDHN C=CC(=O)NCCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891254120 591020782 /nfs/dbraw/zinc/02/07/82/591020782.db2.gz VSBNVMRQKSCGKB-MRXNPFEDSA-N 0 3 332.448 1.164 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cc(C(N)=O)c[nH]2)N(C)C)cc1 ZINC000891254647 591021369 /nfs/dbraw/zinc/02/13/69/591021369.db2.gz ZUXBJWIZBYFNOO-MRXNPFEDSA-N 0 3 343.431 1.212 20 10 EDCDHN COc1nccc(CNC[C@H](c2ccc(N(C)C)cc2)N(C)C)n1 ZINC000898449308 591353096 /nfs/dbraw/zinc/35/30/96/591353096.db2.gz ATDSSGMZUJKOEY-QGZVFWFLSA-N 0 3 329.448 1.944 20 10 EDCDHN CC[C@@H]1C(=O)NCCCN1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000898545472 591404481 /nfs/dbraw/zinc/40/44/81/591404481.db2.gz KOLYMNIDZQEWMR-GOSISDBHSA-N 0 3 330.476 1.539 20 10 EDCDHN CC[C@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)[C@@H](C)O ZINC000899097918 591676282 /nfs/dbraw/zinc/67/62/82/591676282.db2.gz IUOFKJZXGOYBRW-XOKHGSTOSA-N 0 3 336.480 1.814 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)N2CCC[C@H](CO)C2)N(C)C)cc1 ZINC000899102238 591682790 /nfs/dbraw/zinc/68/27/90/591682790.db2.gz OOYMPOUXBGIXID-YJBOKZPZSA-N 0 3 348.491 1.769 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)NC[C@H]2CCC[C@@H]2O)N(C)C)cc1 ZINC000899098212 591688042 /nfs/dbraw/zinc/68/80/42/591688042.db2.gz MHNPJXXLRDOCLV-NXHRZFHOSA-N 0 3 348.491 1.816 20 10 EDCDHN COc1ccc(C[NH2+]C[C@]2(c3cnn(C)c3)CCCO2)c([O-])c1OC ZINC000898050415 591755210 /nfs/dbraw/zinc/75/52/10/591755210.db2.gz UXQYGZAHJQVGSB-SFHVURJKSA-N 0 3 347.415 1.938 20 10 EDCDHN C[C@@H]1C[C@H](NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CO1 ZINC000895525310 591788734 /nfs/dbraw/zinc/78/87/34/591788734.db2.gz SYQKPYACUAQOQZ-KMFMINBZSA-N 0 3 334.464 1.832 20 10 EDCDHN Cc1ccc([O-])c(C[NH2+][C@@H](C)C2CCN(S(C)(=O)=O)CC2)c1 ZINC000895583754 591810142 /nfs/dbraw/zinc/81/01/42/591810142.db2.gz ZIJUBOSLOUCMMW-ZDUSSCGKSA-N 0 3 326.462 1.850 20 10 EDCDHN CN(C)c1ccc([C@@H](CN2C(=O)[C@H]3COCCN3C2=O)N(C)C)cc1 ZINC000900185876 591932981 /nfs/dbraw/zinc/93/29/81/591932981.db2.gz UCTNLUZWHBIIAO-HZPDHXFCSA-N 0 3 346.431 1.018 20 10 EDCDHN CN(C)c1ccc([C@@H](CN2C(=O)N[C@H](C3CC3)C2=O)N(C)C)cc1 ZINC000900185902 591933281 /nfs/dbraw/zinc/93/32/81/591933281.db2.gz UHJQOKPSPRFYAA-HZPDHXFCSA-N 0 3 330.432 1.686 20 10 EDCDHN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1CN(C2CCOCC2)C1 ZINC000907272664 592567899 /nfs/dbraw/zinc/56/78/99/592567899.db2.gz HJSOGMWHNYXXLD-GFCCVEGCSA-N 0 3 334.416 1.256 20 10 EDCDHN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1CNCCN1C ZINC000911632410 592970091 /nfs/dbraw/zinc/97/00/91/592970091.db2.gz HBJGUINTRPIPPV-SFHVURJKSA-N 0 3 330.476 1.539 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)c2cccc3c2OC(=O)C3)cc1 ZINC000911665940 592973619 /nfs/dbraw/zinc/97/36/19/592973619.db2.gz GCYNCRONMCYBRY-INIZCTEOSA-N 0 3 339.395 1.644 20 10 EDCDHN CCN(CC)CC(=O)N1CCN(Cc2cc3c(cc2O)CCC3)CC1 ZINC000103461777 593303001 /nfs/dbraw/zinc/30/30/01/593303001.db2.gz PSOUNAZTVGCSCF-UHFFFAOYSA-N 0 3 345.487 1.867 20 10 EDCDHN C[C@H](NC(=O)C(=O)N(C)C[C@H]1CCCN1C)c1ccc(N(C)C)cc1 ZINC000817832180 593638790 /nfs/dbraw/zinc/63/87/90/593638790.db2.gz APIGSHZRUPLROK-WMLDXEAASA-N 0 3 346.475 1.482 20 10 EDCDHN CCS(=O)(=O)CCNC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819380366 593752811 /nfs/dbraw/zinc/75/28/11/593752811.db2.gz POBSDNFZIGMDBA-AWEZNQCLSA-N 0 3 326.462 1.546 20 10 EDCDHN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000840481635 593830940 /nfs/dbraw/zinc/83/09/40/593830940.db2.gz KVASDRVZVADVIF-KXBFYZLASA-N 0 3 348.491 1.358 20 10 EDCDHN COc1ccc(N2CC[C@H](CNC(=O)NC[C@H](C)N(C)C)C2)cc1 ZINC000823679904 593832809 /nfs/dbraw/zinc/83/28/09/593832809.db2.gz CXULOVWPBFOWFC-LSDHHAIUSA-N 0 3 334.464 1.771 20 10 EDCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCCCN2CCO)c1[O-] ZINC000824584272 594042720 /nfs/dbraw/zinc/04/27/20/594042720.db2.gz ZWWBOMIWOWVVQU-AWEZNQCLSA-N 0 3 328.840 1.991 20 10 EDCDHN CN(C)CCN(C)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000823548829 594216066 /nfs/dbraw/zinc/21/60/66/594216066.db2.gz YBPXPHIWESCAQT-UHFFFAOYSA-N 0 3 334.464 1.351 20 10 EDCDHN C[C@H](NC(=O)C(N)C(F)(F)F)c1ccc(N2CCOCC2)cc1 ZINC000827726345 594265814 /nfs/dbraw/zinc/26/58/14/594265814.db2.gz XOURNWJESRUPHF-GWCFXTLKSA-N 0 3 331.338 1.590 20 10 EDCDHN CCC[C@@](C)(N)C(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1 ZINC000832173948 594732390 /nfs/dbraw/zinc/73/23/90/594732390.db2.gz YVHQFENDXUMULL-LJQANCHMSA-N 0 3 346.475 1.489 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNC(=O)Cc2c[nH]c3ncccc23)cc1 ZINC000832267207 594739107 /nfs/dbraw/zinc/73/91/07/594739107.db2.gz OEQAPHJTLVJACZ-QGZVFWFLSA-N 0 3 337.427 1.988 20 10 EDCDHN C[C@@H]1C[C@H]([NH2+]CCCCn2cc(C(N)=O)nn2)c2c1c(F)ccc2[O-] ZINC000840896453 594824561 /nfs/dbraw/zinc/82/45/61/594824561.db2.gz JFJSODLLAYSVHP-PWSUYJOCSA-N 0 3 347.394 1.840 20 10 EDCDHN C[C@@H]1CN(CCCNC(=O)NCCc2ccc(N)cc2)CCCO1 ZINC000841885505 594974040 /nfs/dbraw/zinc/97/40/40/594974040.db2.gz BTXALMLWLIQTCS-OAHLLOKOSA-N 0 3 334.464 1.611 20 10 EDCDHN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCCC[C@@H]1CN ZINC000842153736 595024802 /nfs/dbraw/zinc/02/48/02/595024802.db2.gz PQSXFNSLUVMMOX-MRXNPFEDSA-N 0 3 332.448 1.017 20 10 EDCDHN CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H](CN)C2CC2)cc1 ZINC000842207596 595039689 /nfs/dbraw/zinc/03/96/89/595039689.db2.gz OAOSTJRUUCBNMP-INIZCTEOSA-N 0 3 332.448 1.003 20 10 EDCDHN CCN(CC)c1ccc(CNC(=O)C(=O)N(C)[C@@H](C)CN)cc1F ZINC000842209819 595040259 /nfs/dbraw/zinc/04/02/59/595040259.db2.gz OVOLWNPIUUCZCK-LBPRGKRZSA-N 0 3 338.427 1.094 20 10 EDCDHN Nc1ccc(CCNC(=O)C(=O)N2CCC[C@@H](N3CCCC3)C2)cc1 ZINC000842237525 595049023 /nfs/dbraw/zinc/04/90/23/595049023.db2.gz DIYWLMMCAQAWNR-QGZVFWFLSA-N 0 3 344.459 1.014 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNC(=O)[C@@H]2CCc3ncncc3C2)cc1 ZINC000843297749 595066289 /nfs/dbraw/zinc/06/62/89/595066289.db2.gz KUBLSUCOJKQADK-RHSMWYFYSA-N 0 3 339.443 1.464 20 10 EDCDHN Cc1nn(C)c(Cl)c1C(=O)NC[C@H](N)c1ccc(N(C)C)cc1 ZINC000843299356 595066496 /nfs/dbraw/zinc/06/64/96/595066496.db2.gz RVSDTPUEHKAYPN-ZDUSSCGKSA-N 0 3 335.839 1.878 20 10 EDCDHN C[C@H]1C(=O)N(CCN(C)C)CN1C/C=C\c1ccc(N(C)C)cc1 ZINC000843429430 595108803 /nfs/dbraw/zinc/10/88/03/595108803.db2.gz VNGAXGLKUBJMED-WLMCBFPDSA-N 0 3 330.476 1.818 20 10 EDCDHN N[C@H](CC(F)F)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000843484085 595126044 /nfs/dbraw/zinc/12/60/44/595126044.db2.gz HVPURGSQLKPUHY-QWHCGFSZSA-N 0 3 328.359 1.882 20 10 EDCDHN COc1cccc([C@@H](C)N[C@H]2CCN(c3cc(C)nn3C)C2=O)c1O ZINC000846154599 595159941 /nfs/dbraw/zinc/15/99/41/595159941.db2.gz OCVWZOAVQOHUJO-OCCSQVGLSA-N 0 3 344.415 1.899 20 10 EDCDHN COc1ccc(N(C)CCN(C)CCN2C(=O)N[C@H](C)C2=O)cc1 ZINC000844401166 595337652 /nfs/dbraw/zinc/33/76/52/595337652.db2.gz IJDCGOBYGCFXBA-CYBMUJFWSA-N 0 3 334.420 1.004 20 10 EDCDHN Cn1cc([C@H]2CN(C)CC[C@H]2C(=O)NCc2ccccc2O)cn1 ZINC000849565298 595571552 /nfs/dbraw/zinc/57/15/52/595571552.db2.gz SRUFBSLJEAETOD-HZPDHXFCSA-N 0 3 328.416 1.477 20 10 EDCDHN C[C@H](C[NH2+]Cc1c([O-])cccc1Br)N1CCN(C)CC1 ZINC000858126941 595706623 /nfs/dbraw/zinc/70/66/23/595706623.db2.gz NZDBVGWORBJKQN-GFCCVEGCSA-N 0 3 342.281 1.880 20 10 EDCDHN CN(C)c1cc(F)c(CNCCCN2CCCS2(=O)=O)cc1F ZINC000858127074 595706977 /nfs/dbraw/zinc/70/69/77/595706977.db2.gz SMULTYIHQOWNNF-UHFFFAOYSA-N 0 3 347.431 1.546 20 10 EDCDHN C[C@H]1CN(c2ccc(CNc3nc(N)nc(N)n3)cc2F)C[C@H](C)O1 ZINC000858353960 595772458 /nfs/dbraw/zinc/77/24/58/595772458.db2.gz FHRIACKMYWOKOP-UWVGGRQHSA-N 0 3 347.398 1.401 20 10 EDCDHN CCN1CCCN(CC(=O)NCc2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000852167495 596067819 /nfs/dbraw/zinc/06/78/19/596067819.db2.gz UOINOWBACVOVEA-MRXNPFEDSA-N 0 3 332.492 1.785 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNS(=O)(=O)C[C@@H]2CCC2(F)F)cc1 ZINC000866756963 596325241 /nfs/dbraw/zinc/32/52/41/596325241.db2.gz FAZVLEQJDTWKCE-JSGCOSHPSA-N 0 3 347.431 1.717 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)COCc2cccnc2)cc1 ZINC000863585423 596627468 /nfs/dbraw/zinc/62/74/68/596627468.db2.gz YCSWYNYCVGMUOP-KRWDZBQOSA-N 0 3 328.416 1.480 20 10 EDCDHN CC[C@H](N[C@@H](C)C(=O)N[C@@H](C)C(=O)OC)c1ccc(N(C)C)cc1 ZINC000866439019 596887190 /nfs/dbraw/zinc/88/71/90/596887190.db2.gz DFXXDEBXYVVIBR-XEZPLFJOSA-N 0 3 335.448 1.860 20 10 EDCDHN COc1ccc(CN[C@H]2C(=O)NCC[C@@H]2C)cc1Cn1cccn1 ZINC000873122786 597203666 /nfs/dbraw/zinc/20/36/66/597203666.db2.gz WFPAOWNZQCHDCX-SUMWQHHRSA-N 0 3 328.416 1.554 20 10 EDCDHN COCCn1cc(C(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)cn1 ZINC000876506130 597224317 /nfs/dbraw/zinc/22/43/17/597224317.db2.gz FTXWLJXZYABJAH-MRXNPFEDSA-N 0 3 331.420 1.025 20 10 EDCDHN O=C1C[C@H](NCc2ccc(N3CCC(O)CC3)cc2)CN1C1CC1 ZINC000877158774 597446829 /nfs/dbraw/zinc/44/68/29/597446829.db2.gz XJXBRIZIRAXCFM-HNNXBMFYSA-N 0 3 329.444 1.501 20 10 EDCDHN COc1cc(Cl)cc(C[NH+]2C[C@]3(C)C(=O)NC(=O)[C@@]3(C)C2)c1[O-] ZINC000877668605 597546459 /nfs/dbraw/zinc/54/64/59/597546459.db2.gz SAOXRVQXNDJKFK-HZPDHXFCSA-N 0 3 338.791 1.539 20 10 EDCDHN C[C@@H]([NH2+]Cc1cnc(N2CCN(C)CC2)nc1)c1ccccc1[O-] ZINC000877756295 597553321 /nfs/dbraw/zinc/55/33/21/597553321.db2.gz FSKPTSLBNJBNQR-CQSZACIVSA-N 0 3 327.432 1.785 20 10 EDCDHN O=C1C[C@H](NCc2ccc(N3CCOCC3)cc2)CN1CC1CC1 ZINC000883403881 597733350 /nfs/dbraw/zinc/73/33/50/597733350.db2.gz HOXDOMCXSOWKJD-KRWDZBQOSA-N 0 3 329.444 1.624 20 10 EDCDHN CN(C)c1ccc(/C=C\CNC(C)(C)CNS(C)(=O)=O)cc1 ZINC000922636896 704165991 /nfs/dbraw/zinc/16/59/91/704165991.db2.gz LJEYHBYTENSAHF-SREVYHEPSA-N 0 3 325.478 1.683 20 10 EDCDHN COc1ccc(N2CC[C@H](NCc3cnc4n3CCOC4)C2)cc1 ZINC000922238065 710492340 /nfs/dbraw/zinc/49/23/40/710492340.db2.gz PZRKDWATEFCBOI-AWEZNQCLSA-N 0 3 328.416 1.790 20 10 EDCDHN Cn1ccnc1[C@@H](O)C1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000093455004 237021948 /nfs/dbraw/zinc/02/19/48/237021948.db2.gz FXHQIFYWNQTLTR-KRWDZBQOSA-N 0 3 345.399 1.800 20 10 EDCDHN CN(C)c1ccc(C2=CCN(CCC(=O)N3CCOCC3)C2)cc1 ZINC000374323357 250259945 /nfs/dbraw/zinc/25/99/45/250259945.db2.gz HXBLRAGXKNPSQI-UHFFFAOYSA-N 0 3 329.444 1.701 20 10 EDCDHN COc1cccc(C[NH2+]C[C@@]2(N3CCOCC3)CCCOC2)c1[O-] ZINC000378147565 250297176 /nfs/dbraw/zinc/29/71/76/250297176.db2.gz GCMNKHXNLDNSLE-SFHVURJKSA-N 0 3 336.432 1.372 20 10 EDCDHN CCN1CCN(CCCNC(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000180652946 442643091 /nfs/dbraw/zinc/64/30/91/442643091.db2.gz PWYFRYPESGNFIS-FNORWQNLSA-N 0 3 333.432 1.255 20 10 EDCDHN COc1cc(Cl)cc(C[N@H+](C)C[C@@H](O)CN2CCOCC2)c1[O-] ZINC000184696703 443060856 /nfs/dbraw/zinc/06/08/56/443060856.db2.gz BDXFAEKEIBSSJO-CQSZACIVSA-N 0 3 344.839 1.179 20 10 EDCDHN COc1cc(Cl)cc(C[N@@H+](C)C[C@@H](O)CN2CCOCC2)c1[O-] ZINC000184696703 443060859 /nfs/dbraw/zinc/06/08/59/443060859.db2.gz BDXFAEKEIBSSJO-CQSZACIVSA-N 0 3 344.839 1.179 20 10 EDCDHN COC(=O)c1cn(C2CC[NH+](Cc3cc(F)ccc3[O-])CC2)nn1 ZINC000184758217 443072436 /nfs/dbraw/zinc/07/24/36/443072436.db2.gz CFJRZEAGCKMUOY-UHFFFAOYSA-N 0 3 334.351 1.747 20 10 EDCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)c1 ZINC000185050189 443125439 /nfs/dbraw/zinc/12/54/39/443125439.db2.gz LAZSBHXJUGARLO-CYBMUJFWSA-N 0 3 341.411 1.767 20 10 EDCDHN CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cccc(O)c2[O-])[C@H](C)C1 ZINC000185667675 443235627 /nfs/dbraw/zinc/23/56/27/443235627.db2.gz HVZDHMGMWABUSW-HIFRSBDPSA-N 0 3 336.432 1.965 20 10 EDCDHN CCOCCC[N@H+]1CC[C@H](NC(=O)c2cccc(O)c2[O-])[C@H](C)C1 ZINC000185667675 443235630 /nfs/dbraw/zinc/23/56/30/443235630.db2.gz HVZDHMGMWABUSW-HIFRSBDPSA-N 0 3 336.432 1.965 20 10 EDCDHN COc1ccc(N2CCN(CCNC(=O)[C@@H]3CCCN3C)CC2)cc1 ZINC000264810944 443435362 /nfs/dbraw/zinc/43/53/62/443435362.db2.gz CCRTXLWYATZROE-SFHVURJKSA-N 0 3 346.475 1.028 20 10 EDCDHN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(C)S(C)(=O)=O ZINC000264843008 443449216 /nfs/dbraw/zinc/44/92/16/443449216.db2.gz APWFBDOMLMXSAL-CYBMUJFWSA-N 0 3 326.462 1.923 20 10 EDCDHN COc1ccc([O-])c([C@H](C)[NH2+]C2CCN(CC(=O)N(C)C)CC2)c1 ZINC000273609112 443583132 /nfs/dbraw/zinc/58/31/32/443583132.db2.gz VDXPTXXGPVONRI-ZDUSSCGKSA-N 0 3 335.448 1.604 20 10 EDCDHN COc1cccc(CNCc2cccc(N3CCOCC3)n2)c1O ZINC000274845368 443612582 /nfs/dbraw/zinc/61/25/82/443612582.db2.gz XASSUASHGBFIKG-UHFFFAOYSA-N 0 3 329.400 1.922 20 10 EDCDHN Cc1cc(N2CCC([NH2+]Cc3cc4c(cc3[O-])OCO4)CC2)n[nH]1 ZINC000276109269 443652587 /nfs/dbraw/zinc/65/25/87/443652587.db2.gz XLFWIMFTBKWLDV-UHFFFAOYSA-N 0 3 330.388 1.911 20 10 EDCDHN CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000287911307 443760048 /nfs/dbraw/zinc/76/00/48/443760048.db2.gz OKNARAFPEWOMRW-AWEZNQCLSA-N 0 3 347.459 1.730 20 10 EDCDHN COc1ccc(N2CCN(C(=O)N[C@@H](C)CN(C)C)CC2)cc1F ZINC000287988110 443761995 /nfs/dbraw/zinc/76/19/95/443761995.db2.gz KJLKFFUVZFQRDN-ZDUSSCGKSA-N 0 3 338.427 1.616 20 10 EDCDHN COc1cc([O-])c(C[NH2+][C@H]2CCO[C@@H]2c2ccnn2C)cc1OC ZINC000284614266 443780749 /nfs/dbraw/zinc/78/07/49/443780749.db2.gz LYSFLAXXRSNUBO-SJCJKPOMSA-N 0 3 333.388 1.763 20 10 EDCDHN CCOc1ccc([O-])c(C[NH2+][C@@H]2CCC(=O)N[C@H]2c2ccnn2C)c1 ZINC000284607220 443781509 /nfs/dbraw/zinc/78/15/09/443781509.db2.gz RLHPUIDJOPEXGI-RDTXWAMCSA-N 0 3 344.415 1.634 20 10 EDCDHN Oc1cc2c(cc1CNC[C@@H](N1CCOCC1)C(F)(F)F)OCO2 ZINC000285641107 444057270 /nfs/dbraw/zinc/05/72/70/444057270.db2.gz ZIPHWKFOOAOPJN-CQSZACIVSA-N 0 3 348.321 1.474 20 10 EDCDHN Cc1cc(CN2CCC[C@@](O)(Cn3ccnn3)C2)ccc1N(C)C ZINC000293680269 444084426 /nfs/dbraw/zinc/08/44/26/444084426.db2.gz AMHDEAPFQWCSSK-SFHVURJKSA-N 0 3 329.448 1.680 20 10 EDCDHN COc1cccc(C[N@@H+]2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)c1[O-] ZINC000289268534 444091739 /nfs/dbraw/zinc/09/17/39/444091739.db2.gz GCMZEYPWYGXIJY-SJCJKPOMSA-N 0 3 333.388 1.353 20 10 EDCDHN COc1cccc(C[N@H+]2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)c1[O-] ZINC000289268534 444091742 /nfs/dbraw/zinc/09/17/42/444091742.db2.gz GCMZEYPWYGXIJY-SJCJKPOMSA-N 0 3 333.388 1.353 20 10 EDCDHN CCOc1cccc(CN2CCC3(CC2)NC(=O)N(C)C3=O)c1O ZINC000289437774 444143195 /nfs/dbraw/zinc/14/31/95/444143195.db2.gz LQDUJESMDQKGEB-UHFFFAOYSA-N 0 3 333.388 1.307 20 10 EDCDHN CN(C)c1ccc(CNC(=O)N[C@@H]2CCCN(CCCO)C2)cc1 ZINC000296423824 444228417 /nfs/dbraw/zinc/22/84/17/444228417.db2.gz RUTONCZYHLQGKJ-MRXNPFEDSA-N 0 3 334.464 1.399 20 10 EDCDHN COc1cc(O)c(CN[C@H]2COc3ccccc3[C@@H]2O)cc1OC ZINC000290117553 444244763 /nfs/dbraw/zinc/24/47/63/444244763.db2.gz IRKSADIPAPDWDC-UGSOOPFHSA-N 0 3 331.368 1.994 20 10 EDCDHN COc1ccc([O-])c(C[NH+]2CCC(c3ccnn3CCO)CC2)c1 ZINC000305767360 444279169 /nfs/dbraw/zinc/27/91/69/444279169.db2.gz HYQZUJJTXVLOHW-UHFFFAOYSA-N 0 3 331.416 1.969 20 10 EDCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000297902321 444352584 /nfs/dbraw/zinc/35/25/84/444352584.db2.gz RTUCYQGOTWCEJY-QGZVFWFLSA-N 0 3 346.475 1.264 20 10 EDCDHN CN(C)c1ccc(CNC(=O)CN(C[C@H]2CCOC2)C2CC2)cc1 ZINC000297956066 444368095 /nfs/dbraw/zinc/36/80/95/444368095.db2.gz UBLDPEWPSVNFOV-MRXNPFEDSA-N 0 3 331.460 1.870 20 10 EDCDHN COc1cc([O-])c(C[NH2+][C@H]2CCN(c3ccn(C)n3)C2)cc1OC ZINC000362236465 446278972 /nfs/dbraw/zinc/27/89/72/446278972.db2.gz FSZPPTPYFOOLNN-ZDUSSCGKSA-N 0 3 332.404 1.511 20 10 EDCDHN O=C(NC1CC[NH+](CC2(O)CCCCC2)CC1)c1cccc(O)c1[O-] ZINC000365756147 446329972 /nfs/dbraw/zinc/32/99/72/446329972.db2.gz CPOSEYCKRGDBKU-UHFFFAOYSA-N 0 3 348.443 1.987 20 10 EDCDHN COc1ccc(N2CCC(N[C@@H]3CS(=O)(=O)C[C@@H]3C)CC2)cc1 ZINC000368592149 446965251 /nfs/dbraw/zinc/96/52/51/446965251.db2.gz KBGGXJPUVOVPHU-SUMWQHHRSA-N 0 3 338.473 1.687 20 10 EDCDHN COC[C@](C)(CCO)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000749923678 579744106 /nfs/dbraw/zinc/74/41/06/579744106.db2.gz XKCGVFMAPAOEFD-KRWDZBQOSA-N 0 3 326.412 1.539 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@@]1(C)CCO[C@H]1C)cc2=O ZINC000755166966 579921730 /nfs/dbraw/zinc/92/17/30/579921730.db2.gz BTKYCOVOODHJRR-QFYYESIMSA-N 0 3 334.376 1.269 20 10 EDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C2CCN(CCC(=O)N(C)C)CC2)c1 ZINC000756563223 579952706 /nfs/dbraw/zinc/95/27/06/579952706.db2.gz NQTUTNLJGCRJNV-CQSZACIVSA-N 0 3 349.475 1.994 20 10 EDCDHN COC[C@](C)(CC(=O)OC)NCc1ccc(N2CCOCC2)cc1 ZINC000757921506 579973071 /nfs/dbraw/zinc/97/30/71/579973071.db2.gz WCPCTXFVHBBCHR-SFHVURJKSA-N 0 3 336.432 1.581 20 10 EDCDHN CNC(=O)C1CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000768217474 580209205 /nfs/dbraw/zinc/20/92/05/580209205.db2.gz QVPFIVKEAYDBOF-UHFFFAOYSA-N 0 3 335.423 1.620 20 10 EDCDHN COCCO[C@H]1C[C@@H](CO)C[N@H+](Cc2c([O-])cccc2OC)C1 ZINC000775201182 580385535 /nfs/dbraw/zinc/38/55/35/580385535.db2.gz CLJBJQREQHFBKU-KGLIPLIRSA-N 0 3 325.405 1.247 20 10 EDCDHN COCCO[C@H]1C[C@@H](CO)C[N@@H+](Cc2c([O-])cccc2OC)C1 ZINC000775201182 580385536 /nfs/dbraw/zinc/38/55/36/580385536.db2.gz CLJBJQREQHFBKU-KGLIPLIRSA-N 0 3 325.405 1.247 20 10 EDCDHN CCOCCNC(=O)CN[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775257091 580387063 /nfs/dbraw/zinc/38/70/63/580387063.db2.gz GDBHSTSZEVGAHZ-OAHLLOKOSA-N 0 3 335.448 1.327 20 10 EDCDHN COc1ccc(O)c([C@H](C)NCC(=O)NC(=O)NCC(F)(F)F)c1 ZINC000775371938 580389444 /nfs/dbraw/zinc/38/94/44/580389444.db2.gz VTRTYKKULYNRGX-QMMMGPOBSA-N 0 3 349.309 1.440 20 10 EDCDHN O=S1(=O)CC[C@]2(C1)C[C@H]([NH2+]Cc1cc(F)ccc1[O-])CCO2 ZINC000776519838 580419167 /nfs/dbraw/zinc/41/91/67/580419167.db2.gz JGBDTMIMYBULDT-UKRRQHHQSA-N 0 3 329.393 1.357 20 10 EDCDHN C[C@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)c1cc(F)ccc1[O-] ZINC000797121500 580968591 /nfs/dbraw/zinc/96/85/91/580968591.db2.gz ZWJFMNOEQISJMW-WCQYABFASA-N 0 3 330.425 1.996 20 10 EDCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(S(=O)(=O)N(C)C)C2)c([O-])c1 ZINC000806170125 590741130 /nfs/dbraw/zinc/74/11/30/590741130.db2.gz ONICNCADOAWJHG-ZIAGYGMSSA-N 0 3 341.477 1.622 20 10 EDCDHN Cc1cc(C)n(CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)n1 ZINC000891251638 591020218 /nfs/dbraw/zinc/02/02/18/591020218.db2.gz CTBODSQJYXVFHR-SFHVURJKSA-N 0 3 343.475 1.985 20 10 EDCDHN CCC(=O)N[C@@H](C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891255001 591021360 /nfs/dbraw/zinc/02/13/60/591021360.db2.gz MDRHGDBQTQPAGJ-XJKSGUPXSA-N 0 3 334.464 1.386 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)c2ccc[n+]([O-])c2)N(C)C)cc1 ZINC000891257896 591023224 /nfs/dbraw/zinc/02/32/24/591023224.db2.gz MHPFNXHGZQTWHV-QGZVFWFLSA-N 0 3 328.416 1.419 20 10 EDCDHN [NH3+][C@H]1C[C@@H](CNC(=O)NCc2cc(Br)ccc2[O-])C1 ZINC000892550736 591068707 /nfs/dbraw/zinc/06/87/07/591068707.db2.gz RQAYWXMVOJOFSI-DKTWLAJQSA-N 0 3 328.210 1.691 20 10 EDCDHN CN(C)c1ccc(CNC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)cc1 ZINC000891607273 591147670 /nfs/dbraw/zinc/14/76/70/591147670.db2.gz NVMTXTIECSGJFA-MSOLQXFVSA-N 0 3 346.475 1.493 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)NCc2nccn2C)N(C)C)cc1 ZINC000892765279 591166738 /nfs/dbraw/zinc/16/67/38/591166738.db2.gz RUAGXLCDAREJGB-INIZCTEOSA-N 0 3 344.463 1.588 20 10 EDCDHN Cc1cc(N(C)C)ccc1CNCC1(S(=O)(=O)N(C)C)CC1 ZINC000895810180 591274807 /nfs/dbraw/zinc/27/48/07/591274807.db2.gz HXTGWSRVPJUYDT-UHFFFAOYSA-N 0 3 325.478 1.575 20 10 EDCDHN CNC(=O)[C@H](CCSC)NCc1ccc(OC)c(OC)c1O ZINC000894520293 591329854 /nfs/dbraw/zinc/32/98/54/591329854.db2.gz JWLMIDKZNCDBTD-NSHDSACASA-N 0 3 328.434 1.367 20 10 EDCDHN C[C@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C1(CO)CC1 ZINC000899098449 591688262 /nfs/dbraw/zinc/68/82/62/591688262.db2.gz OMXVXJWVNQSANX-YOEHRIQHSA-N 0 3 348.491 1.816 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)NC[C@@H](O)C2CC2)N(C)C)cc1 ZINC000899101057 591689878 /nfs/dbraw/zinc/68/98/78/591689878.db2.gz HOVZBEOTOCMBMS-DLBZAZTESA-N 0 3 334.464 1.425 20 10 EDCDHN COc1ccc(CN2CC[C@H](CN3CCCC3=O)C2)c(O)c1OC ZINC000895448652 591761552 /nfs/dbraw/zinc/76/15/52/591761552.db2.gz JJDROABQSGIFOY-ZDUSSCGKSA-N 0 3 334.416 1.854 20 10 EDCDHN CCS(=O)(=O)CCNC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000905703728 592616142 /nfs/dbraw/zinc/61/61/42/592616142.db2.gz JIGKUSGMIXGJTC-MRXNPFEDSA-N 0 3 327.494 1.380 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)Cn2nnc3c2CCCC3)cc1 ZINC000911666751 592974098 /nfs/dbraw/zinc/97/40/98/592974098.db2.gz LRQRNDKGCMINFO-HNNXBMFYSA-N 0 3 342.447 1.039 20 10 EDCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CC2(O)CCS(=O)(=O)CC2)c1[O-] ZINC000808699503 593282108 /nfs/dbraw/zinc/28/21/08/593282108.db2.gz ZCUICDZTTBPGEE-LLVKDONJSA-N 0 3 347.864 1.944 20 10 EDCDHN Cn1ncc(CN[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)n1 ZINC000815126589 593616781 /nfs/dbraw/zinc/61/67/81/593616781.db2.gz OHBCMZBNUDMRLT-CQSZACIVSA-N 0 3 335.839 1.928 20 10 EDCDHN COCCN1CCC[C@H]1CN1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819169157 593742541 /nfs/dbraw/zinc/74/25/41/593742541.db2.gz YUVQRJBPEHDNMF-HNNXBMFYSA-N 0 3 347.415 1.267 20 10 EDCDHN C[C@@H]1C[C@H](NCc2ccc(N3CCS(=O)(=O)CC3)cc2)[C@H](C)O1 ZINC000823850818 593872907 /nfs/dbraw/zinc/87/29/07/593872907.db2.gz DMQIKUHMPVVBMR-KEYYUXOJSA-N 0 3 338.473 1.577 20 10 EDCDHN COc1cc([O-])c(C[N@@H+]2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)cc1OC ZINC000824654374 594051385 /nfs/dbraw/zinc/05/13/85/594051385.db2.gz NPCJFGAWTIIPLM-YUELXQCFSA-N 0 3 337.416 1.771 20 10 EDCDHN COc1cc([O-])c(C[N@H+]2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)cc1OC ZINC000824654374 594051386 /nfs/dbraw/zinc/05/13/86/594051386.db2.gz NPCJFGAWTIIPLM-YUELXQCFSA-N 0 3 337.416 1.771 20 10 EDCDHN CCN1CCN(CC(C)(C)[NH2+]Cc2cc3c(cc2[O-])OCO3)CC1 ZINC000825275393 594159942 /nfs/dbraw/zinc/15/99/42/594159942.db2.gz KHPFEDISDKUMNP-UHFFFAOYSA-N 0 3 335.448 1.627 20 10 EDCDHN C[C@H](NC(=O)C[C@H]1CNCCO1)c1ccc(N2CCOCC2)cc1 ZINC000827725390 594265800 /nfs/dbraw/zinc/26/58/00/594265800.db2.gz GWMUSOPFVNSLKT-YOEHRIQHSA-N 0 3 333.432 1.079 20 10 EDCDHN COc1ccc(N2CCCN(CCNC(=O)NC(C)C)CC2)cc1 ZINC000827803590 594280616 /nfs/dbraw/zinc/28/06/16/594280616.db2.gz SSPDBLIBXOVGGW-UHFFFAOYSA-N 0 3 334.464 1.915 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)Cn2ncc3ccccc32)cc1 ZINC000832271987 594739549 /nfs/dbraw/zinc/73/95/49/594739549.db2.gz BKBXEUVGOICBQY-KRWDZBQOSA-N 0 3 337.427 1.919 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)c2cnn(C)c2C(F)F)cc1 ZINC000832278936 594739975 /nfs/dbraw/zinc/73/99/75/594739975.db2.gz GTRVQZNNUVIEPI-ZDUSSCGKSA-N 0 3 337.374 1.854 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)CN2CCCCCC2=O)cc1 ZINC000832282014 594740072 /nfs/dbraw/zinc/74/00/72/594740072.db2.gz XHKYAVGEDJQDKF-INIZCTEOSA-N 0 3 332.448 1.271 20 10 EDCDHN CC(=O)N1CCC[C@@H](C(=O)NC[C@H](N)c2ccc(N(C)C)cc2)C1 ZINC000832292450 594740688 /nfs/dbraw/zinc/74/06/88/594740688.db2.gz HBFBYHVUQHIGCE-WBVHZDCISA-N 0 3 332.448 1.127 20 10 EDCDHN CC[C@@H]([NH2+]CCCCn1cc(C(N)=O)nn1)c1ccc(C)cc1[O-] ZINC000840898672 594825092 /nfs/dbraw/zinc/82/50/92/594825092.db2.gz ZTGQOCSKLKEFEB-CQSZACIVSA-N 0 3 331.420 1.912 20 10 EDCDHN CN(Cc1ccccc1O)C(=O)Nc1cnc(N2CCNCC2)nc1 ZINC000841325833 594885522 /nfs/dbraw/zinc/88/55/22/594885522.db2.gz RRLOCSPAVJNKJF-UHFFFAOYSA-N 0 3 342.403 1.256 20 10 EDCDHN O=C(NCCc1ccc(O)c(O)c1)Nc1ccc2c(c1)CNCCO2 ZINC000841328726 594885543 /nfs/dbraw/zinc/88/55/43/594885543.db2.gz AGNHUFNWGPHTIT-UHFFFAOYSA-N 0 3 343.383 1.944 20 10 EDCDHN CC1(C)C[C@@H](NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CO1 ZINC000841862780 594967396 /nfs/dbraw/zinc/96/73/96/594967396.db2.gz FPIQVAXZKSJEQO-OAHLLOKOSA-N 0 3 338.473 1.579 20 10 EDCDHN NC[C@@H]1CCCCN1C(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000842215848 595042059 /nfs/dbraw/zinc/04/20/59/595042059.db2.gz XJCHWPMURDGMPG-KRWDZBQOSA-N 0 3 344.459 1.243 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)Cn2cc3ccccc3n2)cc1 ZINC000843296664 595065564 /nfs/dbraw/zinc/06/55/64/595065564.db2.gz CZMIAAYGWFQBAA-KRWDZBQOSA-N 0 3 337.427 1.919 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)CCCn2ccccc2=O)cc1 ZINC000843298410 595066139 /nfs/dbraw/zinc/06/61/39/595066139.db2.gz OEJKZKFQMGPGQP-KRWDZBQOSA-N 0 3 342.443 1.511 20 10 EDCDHN COC(=O)CC[C@@H](N)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000843485678 595126028 /nfs/dbraw/zinc/12/60/28/595126028.db2.gz MYRIEUMMLKEMBS-MRXNPFEDSA-N 0 3 335.448 1.770 20 10 EDCDHN C[C@@H]1CCCCN1S(=O)(=O)NC[C@H](N)c1ccc(N(C)C)cc1 ZINC000842784097 595197723 /nfs/dbraw/zinc/19/77/23/595197723.db2.gz GMAWUZJVTKZWQX-CJNGLKHVSA-N 0 3 340.493 1.461 20 10 EDCDHN COC(C)(C)CS(=O)(=O)NC[C@@H](N)c1ccc(N(C)C)cc1 ZINC000842786351 595198404 /nfs/dbraw/zinc/19/84/04/595198404.db2.gz YTTAAYJLNLPOLP-CQSZACIVSA-N 0 3 329.466 1.097 20 10 EDCDHN COCCN1CCC[C@@H]1CNC(=O)NCc1cc(Cl)ccc1O ZINC000844969790 595421306 /nfs/dbraw/zinc/42/13/06/595421306.db2.gz WFDBMUQBNZARRM-CQSZACIVSA-N 0 3 341.839 1.956 20 10 EDCDHN CCc1cccc(CN2CCC[C@H](S(=O)(=O)N(C)C)C2)c1O ZINC000848910750 595466412 /nfs/dbraw/zinc/46/64/12/595466412.db2.gz PLGKXSGOTIEVOT-HNNXBMFYSA-N 0 3 326.462 1.810 20 10 EDCDHN COc1ccc(N2CC[C@H](N[C@H](Cc3ccccc3)C(N)=O)C2)cc1 ZINC000849321717 595505861 /nfs/dbraw/zinc/50/58/61/595505861.db2.gz KTWRRMHEGJLMSP-QFBILLFUSA-N 0 3 339.439 1.960 20 10 EDCDHN Cc1ncc(CNCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)n1C ZINC000850058484 595730369 /nfs/dbraw/zinc/73/03/69/595730369.db2.gz DAAKGUWTHKEHOT-INIZCTEOSA-N 0 3 341.459 1.720 20 10 EDCDHN CCN(C(=O)NCc1ccc(N2CCOCC2)cc1)[C@@H]1CCN(C)C1 ZINC000853474485 595762120 /nfs/dbraw/zinc/76/21/20/595762120.db2.gz JJEDALPGLLVLLU-GOSISDBHSA-N 0 3 346.475 1.759 20 10 EDCDHN C[C@H](Cn1cncn1)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000850424665 595831925 /nfs/dbraw/zinc/83/19/25/595831925.db2.gz GOZGEZIBSLWNMU-GDBMZVCRSA-N 0 3 342.447 1.158 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNS(=O)(=O)CCC(F)(F)F)cc1 ZINC000858612832 595843616 /nfs/dbraw/zinc/84/36/16/595843616.db2.gz ZYVQHFFHURYALN-GFCCVEGCSA-N 0 3 339.383 1.624 20 10 EDCDHN COC[C@@H](NCC(=O)NCc1ccc(N(C)C)cc1)C1CCOCC1 ZINC000852321348 596125133 /nfs/dbraw/zinc/12/51/33/596125133.db2.gz MBYHTUQPFOYZSZ-GOSISDBHSA-N 0 3 349.475 1.400 20 10 EDCDHN CCOC[C@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2)CCO1 ZINC000862502422 596338583 /nfs/dbraw/zinc/33/85/83/596338583.db2.gz MDMKVBBJRBTJBK-LJQANCHMSA-N 0 3 333.476 1.676 20 10 EDCDHN CN(C)c1cc(F)c(CN[C@H]2CCN(CC(C)(C)O)C2)cc1F ZINC000865659785 596641092 /nfs/dbraw/zinc/64/10/92/596641092.db2.gz FICORUWYHGUBTK-ZDUSSCGKSA-N 0 3 327.419 1.966 20 10 EDCDHN C[C@@](O)(C[C@H](O)CNCc1ccc(N2CCC(O)CC2)cc1)C1CC1 ZINC000872215915 596839269 /nfs/dbraw/zinc/83/92/69/596839269.db2.gz LFPOZTRTJJWWEX-VQTJNVASSA-N 0 3 348.487 1.649 20 10 EDCDHN COc1ccc(CNC[C@@]2(OC)CCOC2)cc1Cn1cccn1 ZINC000873106984 597197635 /nfs/dbraw/zinc/19/76/35/597197635.db2.gz LIJFSLISCLFYDL-SFHVURJKSA-N 0 3 331.416 1.835 20 10 EDCDHN CCN1C[C@H](NCc2ccc(OC)c(Cn3cccn3)c2)CC1=O ZINC000873131860 597206558 /nfs/dbraw/zinc/20/65/58/597206558.db2.gz XTYZLDXCDNECCJ-MRXNPFEDSA-N 0 3 328.416 1.650 20 10 EDCDHN Cc1ccc(C[N@@H+]2CCCN(CC(=O)N3CCCC3)CC2)c([O-])c1 ZINC000876568705 597243753 /nfs/dbraw/zinc/24/37/53/597243753.db2.gz PTYZLBAROMSSEN-UHFFFAOYSA-N 0 3 331.460 1.831 20 10 EDCDHN Cc1ccc(C[N@H+]2CCCN(CC(=O)N3CCCC3)CC2)c([O-])c1 ZINC000876568705 597243757 /nfs/dbraw/zinc/24/37/57/597243757.db2.gz PTYZLBAROMSSEN-UHFFFAOYSA-N 0 3 331.460 1.831 20 10 EDCDHN COc1ccc(N2CCN(C(=O)[C@@H](N)C3CCC3)CC2)c(OC)c1 ZINC000877227678 597467931 /nfs/dbraw/zinc/46/79/31/597467931.db2.gz MBUVKBYHMWKDHP-KRWDZBQOSA-N 0 3 333.432 1.480 20 10 EDCDHN CCOC(=O)N1CC[C@@H](NCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877402186 597510308 /nfs/dbraw/zinc/51/03/08/597510308.db2.gz ZQKPIDMJDQIBOH-MRXNPFEDSA-N 0 3 347.459 1.968 20 10 EDCDHN C[C@@H]([NH2+]CC(=O)NC[C@H]1COc2ccccc2O1)c1ccccc1[O-] ZINC000879647350 597674120 /nfs/dbraw/zinc/67/41/20/597674120.db2.gz BHUNJLJXDDDDFI-KGLIPLIRSA-N 0 3 342.395 1.999 20 10 EDCDHN O=C1C[C@H](NCc2ccc(N3CCOCC3)c(F)c2)CN1CC1CC1 ZINC000883403210 597732677 /nfs/dbraw/zinc/73/26/77/597732677.db2.gz MUUKQZKZXVCOAR-INIZCTEOSA-N 0 3 347.434 1.763 20 10 EDCDHN COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1c([O-])cccc1F ZINC000917830256 697089557 /nfs/dbraw/zinc/08/95/57/697089557.db2.gz YWSQVAWINUCJRF-GFCCVEGCSA-N 0 3 325.384 1.441 20 10 EDCDHN COCC[N@H+]1CCC[C@@H]1CNC(=O)NCc1c([O-])cccc1F ZINC000917830256 697089559 /nfs/dbraw/zinc/08/95/59/697089559.db2.gz YWSQVAWINUCJRF-GFCCVEGCSA-N 0 3 325.384 1.441 20 10 EDCDHN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CNC[C@H]1CCCO1 ZINC000237220856 249302287 /nfs/dbraw/zinc/30/22/87/249302287.db2.gz DRJUENHBUIXKSD-GOSISDBHSA-N 0 3 347.459 1.250 20 10 EDCDHN COCCN(C)CCNC(=O)N1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000371962723 250216180 /nfs/dbraw/zinc/21/61/80/250216180.db2.gz XJPKZPZNKSPIHD-UHFFFAOYSA-N 0 3 346.475 1.739 20 10 EDCDHN CN1CCC[C@H](N2CCN(C(=O)/C=C/c3ccc(O)c(O)c3)CC2)C1 ZINC000374804732 250272803 /nfs/dbraw/zinc/27/28/03/250272803.db2.gz DBSGVDMPSAXXLB-YERXGYGTSA-N 0 3 345.443 1.349 20 10 EDCDHN [O-]c1ccccc1C[NH2+]C[C@@H]1CCCN(c2nccn3cnnc23)C1 ZINC000378193873 250297583 /nfs/dbraw/zinc/29/75/83/250297583.db2.gz VMLIBPOSVHWENV-AWEZNQCLSA-N 0 3 338.415 1.836 20 10 EDCDHN Cn1cc([C@H](O)C[C@H]2CCC[N@@H+]2Cc2cc3c(cc2[O-])OCO3)cn1 ZINC000378381215 447424401 /nfs/dbraw/zinc/42/44/01/447424401.db2.gz WQRAGWDQDMBBNR-HUUCEWRRSA-N 0 3 345.399 1.943 20 10 EDCDHN Cn1cc([C@H](O)C[C@H]2CCC[N@H+]2Cc2cc3c(cc2[O-])OCO3)cn1 ZINC000378381215 447424405 /nfs/dbraw/zinc/42/44/05/447424405.db2.gz WQRAGWDQDMBBNR-HUUCEWRRSA-N 0 3 345.399 1.943 20 10 EDCDHN Cc1cccc(CN2CCN(C[C@@H]3CN(C)CCO3)C[C@H]2C)c1O ZINC000378436734 447427947 /nfs/dbraw/zinc/42/79/47/447427947.db2.gz DBNDUSKVAANUHR-AEFFLSMTSA-N 0 3 333.476 1.537 20 10 EDCDHN COc1cc(O)c(CN2CCC(NC(=O)C3CC3)CC2)cc1OC ZINC000179438254 442457722 /nfs/dbraw/zinc/45/77/22/442457722.db2.gz PMVVHLHFPAQHEZ-UHFFFAOYSA-N 0 3 334.416 1.900 20 10 EDCDHN COCCN1CC[C@H](NC(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000265514452 442804350 /nfs/dbraw/zinc/80/43/50/442804350.db2.gz GSRNVYJZKNJZPR-KRWDZBQOSA-N 0 3 346.475 1.589 20 10 EDCDHN CC1CCN(c2ccc(CNC(=O)C[C@@H]3CNCCO3)cc2)CC1 ZINC000269264465 443257915 /nfs/dbraw/zinc/25/79/15/443257915.db2.gz OMQZCWSNZNBBTM-GOSISDBHSA-N 0 3 331.460 1.918 20 10 EDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CC2(OCCO)CCOCC2)c1 ZINC000282461742 443346701 /nfs/dbraw/zinc/34/67/01/443346701.db2.gz FZBBXBUCMSRZKY-CYBMUJFWSA-N 0 3 325.405 1.610 20 10 EDCDHN CC(C)CN1CCO[C@H](CNC(=O)CN(C)Cc2ccccc2O)C1 ZINC000264627210 443352683 /nfs/dbraw/zinc/35/26/83/443352683.db2.gz TXEBIZBDRLKZNX-QGZVFWFLSA-N 0 3 349.475 1.297 20 10 EDCDHN O=C(NCc1ccc(N2CCOCC2)cc1)N1CCN2CCC[C@@H]2C1 ZINC000264769144 443415991 /nfs/dbraw/zinc/41/59/91/443415991.db2.gz MZEJZVIZCKVFLZ-GOSISDBHSA-N 0 3 344.459 1.513 20 10 EDCDHN CCOC(=O)[C@H](C)[C@@H](C)NCC(=O)NCc1ccc(N(C)C)cc1 ZINC000282976694 443485698 /nfs/dbraw/zinc/48/56/98/443485698.db2.gz DCVWCTPTEXTXBU-ZIAGYGMSSA-N 0 3 335.448 1.546 20 10 EDCDHN CCCC[N@H+](Cc1ccccc1[O-])Cc1cn(C)c(=O)n(C)c1=O ZINC000283126718 443532446 /nfs/dbraw/zinc/53/24/46/443532446.db2.gz VRNYBLZMUOWGPP-UHFFFAOYSA-N 0 3 331.416 1.592 20 10 EDCDHN CCCC[N@@H+](Cc1ccccc1[O-])Cc1cn(C)c(=O)n(C)c1=O ZINC000283126718 443532451 /nfs/dbraw/zinc/53/24/51/443532451.db2.gz VRNYBLZMUOWGPP-UHFFFAOYSA-N 0 3 331.416 1.592 20 10 EDCDHN CCOc1ccc(O)c(CN2CCN(CCC(=O)N(C)C)CC2)c1 ZINC000271179081 443494852 /nfs/dbraw/zinc/49/48/52/443494852.db2.gz JAALJYJFSLMCAA-UHFFFAOYSA-N 0 3 335.448 1.387 20 10 EDCDHN CCOc1ccc([O-])c(C[NH+]2CCC([C@H]3OCC[C@@H]3C(N)=O)CC2)c1 ZINC000284648453 443782568 /nfs/dbraw/zinc/78/25/68/443782568.db2.gz WNZKLVBVKMHOII-FUHWJXTLSA-N 0 3 348.443 1.893 20 10 EDCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)c([O-])c1 ZINC000285437173 443983563 /nfs/dbraw/zinc/98/35/63/443983563.db2.gz YXBDRLLNOPBMCM-KBPBESRZSA-N 0 3 326.462 1.941 20 10 EDCDHN CCN1CC[C@H]2OCCN(C(=O)/C=C/c3ccc(O)c(O)c3)[C@H]2C1 ZINC000293914209 444095418 /nfs/dbraw/zinc/09/54/18/444095418.db2.gz NYMHYZPMWFTDSW-HMHLKJFASA-N 0 3 332.400 1.433 20 10 EDCDHN CC[C@@H](C)N1CCN(CC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000295980389 444197395 /nfs/dbraw/zinc/19/73/95/444197395.db2.gz JCSBDPNWLOWXJR-MRXNPFEDSA-N 0 3 332.492 1.785 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@@H]1CCO[C@@H]1C1CC1)cc2=O ZINC000365193225 446073574 /nfs/dbraw/zinc/07/35/74/446073574.db2.gz ZIVNTSZLPGQTGS-UKRRQHHQSA-N 0 3 346.387 1.269 20 10 EDCDHN [O-]c1cc2c(cc1C[NH2+][C@@H]1CCCN(c3ccncn3)C1)OCO2 ZINC000370764784 446423026 /nfs/dbraw/zinc/42/30/26/446423026.db2.gz AICPVLALCANRJB-CYBMUJFWSA-N 0 3 328.372 1.670 20 10 EDCDHN O=C1[N-]C(=O)[C@@]2(CC[N@H+](Cc3ccc(N4CCCCC4)cc3)C2)N1 ZINC000367417865 446544370 /nfs/dbraw/zinc/54/43/70/446544370.db2.gz BDVDQKXKJWKTSH-SFHVURJKSA-N 0 3 328.416 1.461 20 10 EDCDHN O=C1[N-]C(=O)[C@@]2(CC[N@@H+](Cc3ccc(N4CCCCC4)cc3)C2)N1 ZINC000367417865 446544372 /nfs/dbraw/zinc/54/43/72/446544372.db2.gz BDVDQKXKJWKTSH-SFHVURJKSA-N 0 3 328.416 1.461 20 10 EDCDHN COc1cccc(CN2CCC(N3CCN(C)CC3=O)CC2)c1O ZINC000367880710 446603234 /nfs/dbraw/zinc/60/32/34/446603234.db2.gz VJXDJHFKJOTAIO-UHFFFAOYSA-N 0 3 333.432 1.139 20 10 EDCDHN C[C@]1(O)CCOC[C@H]1[C@H]1CCC[N@@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000375408077 446779347 /nfs/dbraw/zinc/77/93/47/446779347.db2.gz AJKBQGLKRRUCGD-IYOUNJFTSA-N 0 3 335.400 1.873 20 10 EDCDHN C[C@]1(O)CCOC[C@H]1[C@H]1CCC[N@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000375408077 446779354 /nfs/dbraw/zinc/77/93/54/446779354.db2.gz AJKBQGLKRRUCGD-IYOUNJFTSA-N 0 3 335.400 1.873 20 10 EDCDHN COc1ccc(N2CCN(C(=O)CN3CC[C@H](CCO)C3)CC2)cc1 ZINC000741800663 579429294 /nfs/dbraw/zinc/42/92/94/579429294.db2.gz ZNASSXMZVRBCCU-MRXNPFEDSA-N 0 3 347.459 1.048 20 10 EDCDHN CCN1CCN(CCCCNC(=O)NCc2ccccc2O)CC1 ZINC000748460891 579688067 /nfs/dbraw/zinc/68/80/67/579688067.db2.gz RPQQKNOCXWWDMD-UHFFFAOYSA-N 0 3 334.464 1.609 20 10 EDCDHN CC(=O)N1CCN(CC[NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)CC1 ZINC000756410848 579949611 /nfs/dbraw/zinc/94/96/11/579949611.db2.gz KLTDFFYURGBZKA-IUODEOHRSA-N 0 3 335.423 1.833 20 10 EDCDHN C[C@H](NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1cc(F)cc(F)c1[O-] ZINC000756548114 579952188 /nfs/dbraw/zinc/95/21/88/579952188.db2.gz IMXFLAZYPDXVKL-NWDGAFQWSA-N 0 3 341.402 1.908 20 10 EDCDHN C[C@H](NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1cc(F)cc(F)c1[O-] ZINC000756548114 579952189 /nfs/dbraw/zinc/95/21/89/579952189.db2.gz IMXFLAZYPDXVKL-NWDGAFQWSA-N 0 3 341.402 1.908 20 10 EDCDHN CC(C)(O)C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 ZINC000756893400 579959765 /nfs/dbraw/zinc/95/97/65/579959765.db2.gz OXONQNANCHARPX-UHFFFAOYSA-N 0 3 331.460 1.606 20 10 EDCDHN Cc1ccc(O)c(CNc2cnn(CC(=O)NCCN(C)C)c2)c1 ZINC000757911502 579972895 /nfs/dbraw/zinc/97/28/95/579972895.db2.gz YFFNHURLQVQDID-UHFFFAOYSA-N 0 3 331.420 1.187 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN(C)CC(C)(C)OC)cc2=O ZINC000758813444 579992226 /nfs/dbraw/zinc/99/22/26/579992226.db2.gz IHKAZYXUTGQTAE-UHFFFAOYSA-N 0 3 336.392 1.468 20 10 EDCDHN CO[C@H](C)[C@H](C)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765979197 580155718 /nfs/dbraw/zinc/15/57/18/580155718.db2.gz JFLFQXFDVBEWQA-UONOGXRCSA-N 0 3 326.462 1.434 20 10 EDCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H]1CN1CCOCC1)[C@H](O)CO2 ZINC000768466188 580214305 /nfs/dbraw/zinc/21/43/05/580214305.db2.gz NQZSVUUVRMBUPG-WMLDXEAASA-N 0 3 334.416 1.115 20 10 EDCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H]1CN1CCOCC1)[C@H](O)CO2 ZINC000768466188 580214306 /nfs/dbraw/zinc/21/43/06/580214306.db2.gz NQZSVUUVRMBUPG-WMLDXEAASA-N 0 3 334.416 1.115 20 10 EDCDHN CCOC(=O)[C@@](C)(O)CN[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000771769601 580293320 /nfs/dbraw/zinc/29/33/20/580293320.db2.gz WUOWRRYXRDUPGL-KDOFPFPSSA-N 0 3 336.432 1.488 20 10 EDCDHN COCCN1CCN(Cc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC000775645017 580396093 /nfs/dbraw/zinc/39/60/93/580396093.db2.gz AXMCLNWJMTVUOF-UHFFFAOYSA-N 0 3 332.492 1.202 20 10 EDCDHN CCN1CCN(Cc2ccc(N3CCN(C)CC3)cc2)C(C)(C)C1=O ZINC000779198887 580480902 /nfs/dbraw/zinc/48/09/02/580480902.db2.gz OKCVMRHPZLCDBB-UHFFFAOYSA-N 0 3 344.503 1.881 20 10 EDCDHN CNC(=O)[C@H]1CCC[C@H]1NCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000787994696 580712695 /nfs/dbraw/zinc/71/26/95/580712695.db2.gz FFRLVHMKBGECRI-DLBZAZTESA-N 0 3 346.475 1.215 20 10 EDCDHN CC(C)(C)[C@H](O)C[C@H](CO)NCc1ccc(N2CCOCC2)cc1 ZINC000790618875 580774046 /nfs/dbraw/zinc/77/40/46/580774046.db2.gz IUHDJOTUCLIQKG-SJLPKXTDSA-N 0 3 336.476 1.771 20 10 EDCDHN CCN(CC)C[C@H](C)NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000793792533 580856323 /nfs/dbraw/zinc/85/63/23/580856323.db2.gz HFGYTSORPXPUKP-GJZGRUSLSA-N 0 3 348.491 1.776 20 10 EDCDHN C[C@@H](NC(=O)C(=O)NCCN(C)C1CC1)c1ccc(N(C)C)cc1 ZINC000793939575 580861189 /nfs/dbraw/zinc/86/11/89/580861189.db2.gz WXWPJNGBHDGOFT-CYBMUJFWSA-N 0 3 332.448 1.140 20 10 EDCDHN COc1ccc(N2CCN(C[C@@H](O)CN3CC(C(C)C)C3)CC2)cc1 ZINC000795542766 580928045 /nfs/dbraw/zinc/92/80/45/580928045.db2.gz AJQMCGOYFFSIDV-LJQANCHMSA-N 0 3 347.503 1.766 20 10 EDCDHN COc1cccc([O-])c1C[NH2+]C[C@H]1CCCCN1S(C)(=O)=O ZINC000796514024 580955400 /nfs/dbraw/zinc/95/54/00/580955400.db2.gz UFPJWSQEYYXCLM-GFCCVEGCSA-N 0 3 328.434 1.305 20 10 EDCDHN CNC(=O)[C@@]1(C)CCN(Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000797605040 580978152 /nfs/dbraw/zinc/97/81/52/580978152.db2.gz LIXUIGAMGFZQTH-SFHVURJKSA-N 0 3 335.423 1.620 20 10 EDCDHN COc1ccc(CN2CCC[C@@H](N3CCCC3=O)C2)c(O)c1OC ZINC000891995537 590734830 /nfs/dbraw/zinc/73/48/30/590734830.db2.gz LIBGTDBVTDOMDK-CQSZACIVSA-N 0 3 334.416 1.996 20 10 EDCDHN COc1ccc(C[NH2+][C@@H](CCO)C2CCOCC2)c([O-])c1OC ZINC000893611461 591008347 /nfs/dbraw/zinc/00/83/47/591008347.db2.gz ATWNQVQYIFEDBV-AWEZNQCLSA-N 0 3 325.405 1.677 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)C2(O)CCOCC2)N(C)C)cc1 ZINC000891247110 591016326 /nfs/dbraw/zinc/01/63/26/591016326.db2.gz FDDMVGXGCCGPDP-INIZCTEOSA-N 0 3 335.448 1.013 20 10 EDCDHN CN(C)C(=O)C1(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CC1 ZINC000891250201 591019871 /nfs/dbraw/zinc/01/98/71/591019871.db2.gz ZUTSQMTUBCTGHC-MRXNPFEDSA-N 0 3 346.475 1.340 20 10 EDCDHN COc1ccc(CNCC(=O)NCc2ccccc2)c(O)c1OC ZINC000892764129 591165931 /nfs/dbraw/zinc/16/59/31/591165931.db2.gz AXFFCOKKUUHZPH-UHFFFAOYSA-N 0 3 330.384 1.815 20 10 EDCDHN COc1ccc(N2CCN(CCCNCc3c[nH]cn3)CC2)cc1 ZINC000894153442 591209799 /nfs/dbraw/zinc/20/97/99/591209799.db2.gz IWZIKWUHTMTNFX-UHFFFAOYSA-N 0 3 329.448 1.720 20 10 EDCDHN CCc1cccc(C[NH2+][C@@H]2CCCN(CCN3CCOCC3)C2)c1[O-] ZINC000895684819 591252492 /nfs/dbraw/zinc/25/24/92/591252492.db2.gz HBEIKMFKIVEYLJ-LJQANCHMSA-N 0 3 347.503 1.841 20 10 EDCDHN CC1(C)COC[C@@H]1NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000895813990 591279269 /nfs/dbraw/zinc/27/92/69/591279269.db2.gz OUPCDCYHKQWTPB-KRWDZBQOSA-N 0 3 331.460 1.903 20 10 EDCDHN COc1cc(C)cc(C[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)c1[O-] ZINC000894359849 591289144 /nfs/dbraw/zinc/28/91/44/591289144.db2.gz SMXJVKWYHJNQAV-GFCCVEGCSA-N 0 3 328.434 1.080 20 10 EDCDHN CNC(=O)C[C@H](C)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000895224132 591664468 /nfs/dbraw/zinc/66/44/68/591664468.db2.gz DIIVDUUETRXUHB-BBRMVZONSA-N 0 3 349.479 1.179 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)N[C@H](CCO)C2CC2)N(C)C)cc1 ZINC000899103325 591683253 /nfs/dbraw/zinc/68/32/53/591683253.db2.gz ZDIUXIMSALLKMK-MSOLQXFVSA-N 0 3 348.491 1.816 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)N(C)Cc2cc[nH]n2)N(C)C)cc1 ZINC000899102780 591683579 /nfs/dbraw/zinc/68/35/79/591683579.db2.gz RUBKUTIKTVIOPY-KRWDZBQOSA-N 0 3 344.463 1.920 20 10 EDCDHN CO[C@@]1(C)C[C@H]1NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899098670 591688334 /nfs/dbraw/zinc/68/83/34/591688334.db2.gz QTXSTZOCIYDWOC-NUJGCVRESA-N 0 3 334.464 1.832 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)N2C[C@@H]3COC[C@@H]3C2)N(C)C)cc1 ZINC000899099128 591689170 /nfs/dbraw/zinc/68/91/70/591689170.db2.gz VVMLUNAERWENSY-JZXOWHBKSA-N 0 3 346.475 1.643 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)NC[C@H](O)C2CC2)N(C)C)cc1 ZINC000899101059 591690145 /nfs/dbraw/zinc/69/01/45/591690145.db2.gz HOVZBEOTOCMBMS-IRXDYDNUSA-N 0 3 334.464 1.425 20 10 EDCDHN CCOc1ccc(O)c(CN2CC(c3cc(C(=O)OC)n[nH]3)C2)c1 ZINC000898004777 591743443 /nfs/dbraw/zinc/74/34/43/591743443.db2.gz MIJVRHQKJHJXPO-UHFFFAOYSA-N 0 3 331.372 1.900 20 10 EDCDHN CN(C)CCn1nccc1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000900188189 591934149 /nfs/dbraw/zinc/93/41/49/591934149.db2.gz RPWQYRZANPVODL-UHFFFAOYSA-N 0 3 341.459 1.975 20 10 EDCDHN CCOC(=O)[C@@H]1NCC[C@H]1NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000902519461 592009759 /nfs/dbraw/zinc/00/97/59/592009759.db2.gz ZNXANWYBOYGACZ-FGTMMUONSA-N 0 3 348.491 1.239 20 10 EDCDHN COC[C@@H]1CNCCN1c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC000900450293 592020977 /nfs/dbraw/zinc/02/09/77/592020977.db2.gz LTRRCOIWWQVVIN-BPJJOFIESA-N 0 3 335.360 1.206 20 10 EDCDHN Fc1cc(CN[C@H]2CCO[C@]23CCOC3)ccc1N1CCOCC1 ZINC000903072524 592119564 /nfs/dbraw/zinc/11/95/64/592119564.db2.gz KGGZERPLGCEEGH-ROUUACIJSA-N 0 3 336.407 1.700 20 10 EDCDHN CC[C@@H](NCCS(=O)(=O)N=S(C)(C)=O)c1ccc(C)cc1O ZINC000903224683 592136778 /nfs/dbraw/zinc/13/67/78/592136778.db2.gz AEGWIFKUNJKGHP-CYBMUJFWSA-N 0 3 348.490 1.799 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1C[C@H](C)C[C@H](CO)C1)cc2=O ZINC000817278165 593587795 /nfs/dbraw/zinc/58/77/95/593587795.db2.gz TYNMZTFEAPQJGH-NEPJUHHUSA-N 0 3 348.403 1.062 20 10 EDCDHN COc1ccc(N2CC[C@H](CNC(=O)N3CCN[C@H](C)[C@@H]3C)C2)cc1 ZINC000818655458 593710544 /nfs/dbraw/zinc/71/05/44/593710544.db2.gz LXYQPCSAMBRALJ-OWCLPIDISA-N 0 3 346.475 1.913 20 10 EDCDHN C[C@H](CNCc1ccc(N2CCSCC2)cc1)S(C)(=O)=O ZINC000818964143 593730723 /nfs/dbraw/zinc/73/07/23/593730723.db2.gz MGOWCMFZHHKDMN-CYBMUJFWSA-N 0 3 328.503 1.763 20 10 EDCDHN COc1cc(O)c(CN2CC[C@@H](CN3CCOC3=O)C2)cc1OC ZINC000824454839 594015882 /nfs/dbraw/zinc/01/58/82/594015882.db2.gz LLBKRIXHKJOZJU-GFCCVEGCSA-N 0 3 336.388 1.684 20 10 EDCDHN COc1cc([O-])c(C[N@@H+]2CC[C@@H](CN3CCOC3=O)C2)cc1OC ZINC000824454839 594015885 /nfs/dbraw/zinc/01/58/85/594015885.db2.gz LLBKRIXHKJOZJU-GFCCVEGCSA-N 0 3 336.388 1.684 20 10 EDCDHN COc1cc([O-])c(C[N@H+]2CC[C@@H](CN3CCOC3=O)C2)cc1OC ZINC000824454839 594015888 /nfs/dbraw/zinc/01/58/88/594015888.db2.gz LLBKRIXHKJOZJU-GFCCVEGCSA-N 0 3 336.388 1.684 20 10 EDCDHN O=C(CNC[C@H]1CCCO1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000829002584 594546661 /nfs/dbraw/zinc/54/66/61/594546661.db2.gz CCWBURCPEPYYBT-SJORKVTESA-N 0 3 348.443 1.668 20 10 EDCDHN O=C(C[C@@H]1CNCCO1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000829003793 594547222 /nfs/dbraw/zinc/54/72/22/594547222.db2.gz REEXFFIXAMGDDJ-JKSUJKDBSA-N 0 3 334.416 1.278 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@@H]1C[C@@H](OC)C1(C)C)cc2=O ZINC000831339837 594610884 /nfs/dbraw/zinc/61/08/84/594610884.db2.gz XNENKICKFCWSJG-CHWSQXEVSA-N 0 3 348.403 1.515 20 10 EDCDHN CC(C)C[C@H](N)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000827469231 594675083 /nfs/dbraw/zinc/67/50/83/594675083.db2.gz QYOJUGPATAYRPC-RDJZCZTQSA-N 0 3 346.475 1.378 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)c2cc3c([nH]c2=O)CCC3)cc1 ZINC000832272276 594739518 /nfs/dbraw/zinc/73/95/18/594739518.db2.gz DOTTXQSZIVUOGE-INIZCTEOSA-N 0 3 340.427 1.772 20 10 EDCDHN COC(=O)c1cccc(C(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)c1 ZINC000832274097 594739600 /nfs/dbraw/zinc/73/96/00/594739600.db2.gz SFAAWLHTOQEBDH-QGZVFWFLSA-N 0 3 341.411 1.969 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)c2cccc3c2OCO3)cc1 ZINC000832272995 594739619 /nfs/dbraw/zinc/73/96/19/594739619.db2.gz LADBUODRYJAWJC-HNNXBMFYSA-N 0 3 327.384 1.911 20 10 EDCDHN Cc1ccn(CC(=O)NC[C@H](N)c2ccc(N(C)C)cc2)c(=O)c1 ZINC000832286021 594740334 /nfs/dbraw/zinc/74/03/34/594740334.db2.gz VNBHINRKWMQDAG-INIZCTEOSA-N 0 3 328.416 1.039 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1 ZINC000832300043 594741141 /nfs/dbraw/zinc/74/11/41/594741141.db2.gz LKXYQURSEGNYDD-ZBFHGGJFSA-N 0 3 346.475 1.516 20 10 EDCDHN Cc1cc(N(C)C)ccc1CN1CCC(N(C)S(C)(=O)=O)CC1 ZINC000840912215 594826717 /nfs/dbraw/zinc/82/67/17/594826717.db2.gz JSFUEZHGAKXBOW-UHFFFAOYSA-N 0 3 339.505 1.917 20 10 EDCDHN Cc1cc(N(C)C)ccc1CN1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000840919216 594827921 /nfs/dbraw/zinc/82/79/21/594827921.db2.gz YGRABDYZBHYOCS-IBGZPJMESA-N 0 3 344.503 1.799 20 10 EDCDHN CCN(CC)CCN(CCOC)C(=O)C(=O)Nc1ccc(N)cc1 ZINC000841028739 594841496 /nfs/dbraw/zinc/84/14/96/594841496.db2.gz HLGDSJCWJYMQOV-UHFFFAOYSA-N 0 3 336.436 1.024 20 10 EDCDHN CN(C)c1ccc(CN2CCC[C@H](n3cc(CN)nn3)C2)cc1F ZINC000841100078 594850960 /nfs/dbraw/zinc/85/09/60/594850960.db2.gz SXGQXWCCEYLXTD-HNNXBMFYSA-N 0 3 332.427 1.779 20 10 EDCDHN O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCCNCC1 ZINC000841711610 594941675 /nfs/dbraw/zinc/94/16/75/594941675.db2.gz DPQNJMZFVKNSFR-UHFFFAOYSA-N 0 3 336.411 1.167 20 10 EDCDHN O=C(NC[C@@H]1CNCCO1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000842012168 595002276 /nfs/dbraw/zinc/00/22/76/595002276.db2.gz VDHFYHSMQQBJQZ-HOTGVXAUSA-N 0 3 349.431 1.071 20 10 EDCDHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NCc1ccc(N(C)C)cc1 ZINC000843308023 595069971 /nfs/dbraw/zinc/06/99/71/595069971.db2.gz CVBMRKHGLZRCAH-CQSZACIVSA-N 0 3 347.463 1.014 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNS(=O)(=O)CC[C@H]2CCCO2)cc1 ZINC000842784197 595197698 /nfs/dbraw/zinc/19/76/98/595197698.db2.gz CJXSLYWECRRYOQ-CVEARBPZSA-N 0 3 341.477 1.241 20 10 EDCDHN COc1ccc(N2CCN(C(=O)CN[C@H]3C[C@H](O)C3(C)C)CC2)cc1 ZINC000846957359 595342461 /nfs/dbraw/zinc/34/24/61/595342461.db2.gz FRVWGLRFJYLMBZ-IRXDYDNUSA-N 0 3 347.459 1.093 20 10 EDCDHN Cc1cc(CS(=O)(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)no1 ZINC000850586757 595539317 /nfs/dbraw/zinc/53/93/17/595539317.db2.gz FKHVKJNSSZMODE-OAHLLOKOSA-N 0 3 338.433 1.168 20 10 EDCDHN Cc1cc(CS(=O)(=O)[N-]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)no1 ZINC000850586757 595539320 /nfs/dbraw/zinc/53/93/20/595539320.db2.gz FKHVKJNSSZMODE-OAHLLOKOSA-N 0 3 338.433 1.168 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)C(C)(C)n2ccc(N)n2)cc1 ZINC000852791621 595544806 /nfs/dbraw/zinc/54/48/06/595544806.db2.gz KWIXKHZHNVQEMB-AWEZNQCLSA-N 0 3 330.436 1.083 20 10 EDCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)c1 ZINC000858497861 595810283 /nfs/dbraw/zinc/81/02/83/595810283.db2.gz IMNLCVXUPIVWRO-NILFDRSVSA-N 0 3 342.461 1.912 20 10 EDCDHN C[C@H](NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)c1ccc(N(C)C)cc1 ZINC000851659436 595871565 /nfs/dbraw/zinc/87/15/65/595871565.db2.gz QQQVRUATHAZMJG-NSHDSACASA-N 0 3 344.419 1.267 20 10 EDCDHN CCOC(=O)[C@@H]1NCC[C@@H]1NCc1ccc(N2CCC(O)CC2)cc1 ZINC000854230466 596009038 /nfs/dbraw/zinc/00/90/38/596009038.db2.gz QUNMMVDPUHLNPB-ZWKOTPCHSA-N 0 3 347.459 1.031 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C)cc2=O ZINC000859827996 596203803 /nfs/dbraw/zinc/20/38/03/596203803.db2.gz VMKPJVUPPFZVBN-LMCGPQHNSA-N 0 3 348.403 1.513 20 10 EDCDHN Cc1cc([O-])c(C[NH+]2CCC(n3cc(C(N)=O)nn3)CC2)cc1C ZINC000862483101 596334744 /nfs/dbraw/zinc/33/47/44/596334744.db2.gz GDXHSKKDCWLTRY-UHFFFAOYSA-N 0 3 329.404 1.537 20 10 EDCDHN Cc1ccc(O)c(CNC(=O)[C@H]2CCN(C)C[C@@H]2c2cnn(C)c2)c1 ZINC000862754312 596405123 /nfs/dbraw/zinc/40/51/23/596405123.db2.gz XLABVOUEJIPQFT-DLBZAZTESA-N 0 3 342.443 1.786 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNC(=O)c2cccn(C3CC3)c2=O)cc1 ZINC000870932745 596410829 /nfs/dbraw/zinc/41/08/29/596410829.db2.gz IWAKGXVKTVPVSG-QGZVFWFLSA-N 0 3 340.427 1.679 20 10 EDCDHN CCO[C@H](C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1)[C@@H]1CCOC1 ZINC000870933583 596411405 /nfs/dbraw/zinc/41/14/05/596411405.db2.gz QMCATLWTXNRPOV-OIISXLGYSA-N 0 3 335.448 1.310 20 10 EDCDHN CCN1CCN(c2ccc(CNC(=O)CN3CCCC3)cc2F)CC1 ZINC000874439988 597079826 /nfs/dbraw/zinc/07/98/26/597079826.db2.gz VNLWGWGQDRYHSL-UHFFFAOYSA-N 0 3 348.466 1.680 20 10 EDCDHN CCCOc1ccc(CN[C@@H]2CCN(S(C)(=O)=O)C2)cc1C ZINC000873134338 597207079 /nfs/dbraw/zinc/20/70/79/597207079.db2.gz PHQXZGIGTUSGDW-OAHLLOKOSA-N 0 3 326.462 1.907 20 10 EDCDHN NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877466482 597520555 /nfs/dbraw/zinc/52/05/55/597520555.db2.gz KYTSIVHRJSGSTN-IPELMVKDSA-N 0 3 343.471 1.734 20 10 EDCDHN C[C@@H](CN1CCOCC1)N(C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877484377 597523571 /nfs/dbraw/zinc/52/35/71/597523571.db2.gz ABBJVLGGFRGTAQ-KRWDZBQOSA-N 0 3 347.503 1.800 20 10 EDCDHN COc1cccc([O-])c1C[NH2+][C@H]1CCCN(CCN2CCOCC2)C1 ZINC000883371823 597726275 /nfs/dbraw/zinc/72/62/75/597726275.db2.gz BBUADZUHQZJXBR-INIZCTEOSA-N 0 3 349.475 1.287 20 10 EDCDHN CN(C)c1ccc(CNC(=O)Cn2cc([C@H](N)C(C)(C)C)nn2)cc1 ZINC000881093019 598073983 /nfs/dbraw/zinc/07/39/83/598073983.db2.gz CSMIGYUGBLMCRY-KRWDZBQOSA-N 0 3 344.463 1.706 20 10 EDCDHN CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](C[NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000702807113 709854998 /nfs/dbraw/zinc/85/49/98/709854998.db2.gz AINSUHBULZCTPL-SWLSCSKDSA-N 0 3 340.395 1.849 20 10 EDCDHN Cn1ccc(N2CCC[C@H]([NH2+][C@@H]3CCc4cccc([O-])c43)C2=O)n1 ZINC000296703762 282714258 /nfs/dbraw/zinc/71/42/58/282714258.db2.gz HUKRJJVEYRKCPG-KGLIPLIRSA-N 0 3 326.400 1.898 20 10 EDCDHN CN(C)c1ccc(CN2CCC([C@]3(C)NC(=O)NC3=O)CC2)cc1 ZINC000011913599 211268566 /nfs/dbraw/zinc/26/85/66/211268566.db2.gz ICJWCARJCDJPGZ-SFHVURJKSA-N 0 3 330.432 1.563 20 10 EDCDHN COc1ccc(O)c([C@H](C)N2CC[C@@]3(C2)NC(=O)N(C(C)C)C3=O)c1 ZINC000372487151 250220940 /nfs/dbraw/zinc/22/09/40/250220940.db2.gz ZQOKFGRPGLCUKU-SGTLLEGYSA-N 0 3 347.415 1.867 20 10 EDCDHN CN(C)C[C@](C)(O)CNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000128032708 442241306 /nfs/dbraw/zinc/24/13/06/442241306.db2.gz QMCGJCMNUYVTEH-GOSISDBHSA-N 0 3 332.448 1.175 20 10 EDCDHN Cc1ccc(C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c([O-])c1O ZINC000179486747 442465452 /nfs/dbraw/zinc/46/54/52/442465452.db2.gz VNNKPSLGHNJNHL-HNNXBMFYSA-N 0 3 347.459 1.648 20 10 EDCDHN Cc1ccc(C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c([O-])c1O ZINC000179486747 442465455 /nfs/dbraw/zinc/46/54/55/442465455.db2.gz VNNKPSLGHNJNHL-HNNXBMFYSA-N 0 3 347.459 1.648 20 10 EDCDHN Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2cc(F)ccc2[O-])cc1 ZINC000180526718 442616777 /nfs/dbraw/zinc/61/67/77/442616777.db2.gz LUZATXIZKHNJIB-UHFFFAOYSA-N 0 3 338.404 1.908 20 10 EDCDHN CCN1CCN([C@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3)C2)CC1 ZINC000272440092 443317123 /nfs/dbraw/zinc/31/71/23/443317123.db2.gz MLXIOJPOQLXDCN-NBUZRDOWSA-N 0 3 345.443 1.349 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCN(C)CC1(C)C)cc2=O ZINC000271059558 443488562 /nfs/dbraw/zinc/48/85/62/443488562.db2.gz SCYUCNUWWPKKNJ-UHFFFAOYSA-N 0 3 347.419 1.138 20 10 EDCDHN CN(C)c1ccc(CNC(=O)CN[C@@H]2CCC(=O)NC23CCC3)cc1 ZINC000282925232 443471459 /nfs/dbraw/zinc/47/14/59/443471459.db2.gz YQWHBERVSBMPSR-MRXNPFEDSA-N 0 3 344.459 1.160 20 10 EDCDHN CN(C)c1ccc(CN2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1F ZINC000271192637 443494640 /nfs/dbraw/zinc/49/46/40/443494640.db2.gz QWGALTBRXZAFSZ-GOSISDBHSA-N 0 3 348.466 1.630 20 10 EDCDHN COc1ccc([O-])c(C[N@@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)c1 ZINC000275161751 443622326 /nfs/dbraw/zinc/62/23/26/443622326.db2.gz YOFRFHKEAGDPCS-JTQLQIEISA-N 0 3 332.322 1.901 20 10 EDCDHN COc1ccc([O-])c(C[N@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)c1 ZINC000275161751 443622329 /nfs/dbraw/zinc/62/23/29/443622329.db2.gz YOFRFHKEAGDPCS-JTQLQIEISA-N 0 3 332.322 1.901 20 10 EDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2CCn3ncc(C(N)=O)c3C2)c1 ZINC000280959922 443783422 /nfs/dbraw/zinc/78/34/22/443783422.db2.gz KKGIEBVKDOKLSG-VXGBXAGGSA-N 0 3 344.415 1.609 20 10 EDCDHN CNC(=O)[C@H]1C[N@H+](Cc2cc(OC)ccc2[O-])C[C@@H]1c1cnn(C)c1 ZINC000284714623 443785058 /nfs/dbraw/zinc/78/50/58/443785058.db2.gz ZDQCTAVBYHBTOO-CVEARBPZSA-N 0 3 344.415 1.096 20 10 EDCDHN CNC(=O)[C@H]1C[N@@H+](Cc2cc(OC)ccc2[O-])C[C@@H]1c1cnn(C)c1 ZINC000284714623 443785060 /nfs/dbraw/zinc/78/50/60/443785060.db2.gz ZDQCTAVBYHBTOO-CVEARBPZSA-N 0 3 344.415 1.096 20 10 EDCDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)c1 ZINC000282150642 444098332 /nfs/dbraw/zinc/09/83/32/444098332.db2.gz CSHNRHTUQWWJSL-AWEZNQCLSA-N 0 3 349.475 1.855 20 10 EDCDHN COCCOC[C@@H](O)C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000294956562 444161663 /nfs/dbraw/zinc/16/16/63/444161663.db2.gz MZYUFZIBODNZSO-IRXDYDNUSA-N 0 3 339.432 1.397 20 10 EDCDHN COCCOC[C@@H](O)C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000294956562 444161666 /nfs/dbraw/zinc/16/16/66/444161666.db2.gz MZYUFZIBODNZSO-IRXDYDNUSA-N 0 3 339.432 1.397 20 10 EDCDHN Cc1cccc(C[N@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)c1[O-] ZINC000289531012 444165757 /nfs/dbraw/zinc/16/57/57/444165757.db2.gz PYBLZBPSEUSEEE-AWEZNQCLSA-N 0 3 326.462 1.804 20 10 EDCDHN Cc1cccc(C[N@@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)c1[O-] ZINC000289531012 444165761 /nfs/dbraw/zinc/16/57/61/444165761.db2.gz PYBLZBPSEUSEEE-AWEZNQCLSA-N 0 3 326.462 1.804 20 10 EDCDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCCN(CCCO)C2)c1[O-] ZINC000295198914 444170143 /nfs/dbraw/zinc/17/01/43/444170143.db2.gz YKEWRBAUQBEKOD-AWEZNQCLSA-N 0 3 328.840 1.991 20 10 EDCDHN CCOc1cccc(C[N@@H+]2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)c1[O-] ZINC000289786760 444203149 /nfs/dbraw/zinc/20/31/49/444203149.db2.gz RVSIEVZVAVNUPS-SCLBCKFNSA-N 0 3 347.415 1.744 20 10 EDCDHN CCOc1cccc(C[N@H+]2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)c1[O-] ZINC000289786760 444203151 /nfs/dbraw/zinc/20/31/51/444203151.db2.gz RVSIEVZVAVNUPS-SCLBCKFNSA-N 0 3 347.415 1.744 20 10 EDCDHN CCOc1ccc(O)c(CN2CC[C@@H](n3cc(C(=O)OC)nn3)C2)c1 ZINC000363906970 445883945 /nfs/dbraw/zinc/88/39/45/445883945.db2.gz KMRJTXJTFORNIY-CYBMUJFWSA-N 0 3 346.387 1.616 20 10 EDCDHN CCOc1ccc(O)c(CN2CCO[C@H](CN3CCN(C)CC3)C2)c1 ZINC000369452186 446122632 /nfs/dbraw/zinc/12/26/32/446122632.db2.gz NNXZDDQAJLXUAC-GOSISDBHSA-N 0 3 349.475 1.239 20 10 EDCDHN CCN(CC)c1ccc(CN2CC[C@@H]3C(=O)NC(=O)[C@@H]3C2)cc1F ZINC000366551715 446258581 /nfs/dbraw/zinc/25/85/81/446258581.db2.gz IHEJCHGMZJTAHS-UONOGXRCSA-N 0 3 333.407 1.766 20 10 EDCDHN COc1cccc(CNCc2cnc(-c3cnn(C)c3)nc2)c1O ZINC000367720751 446579398 /nfs/dbraw/zinc/57/93/98/446579398.db2.gz MOPGGNLVTMKLBZ-UHFFFAOYSA-N 0 3 325.372 1.881 20 10 EDCDHN CCN1CCO[C@@H](CN2CCN(Cc3cc(OC)ccc3O)CC2)C1 ZINC000371422012 446845368 /nfs/dbraw/zinc/84/53/68/446845368.db2.gz CQBPJLXHCHURDH-GOSISDBHSA-N 0 3 349.475 1.239 20 10 EDCDHN CN(C)c1ccc(CN[C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)cc1 ZINC000284675931 491020641 /nfs/dbraw/zinc/02/06/41/491020641.db2.gz WYKYIELOYMAPAE-CRAIPNDOSA-N 0 3 327.432 1.548 20 10 EDCDHN CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2cc([O-])cs2)CC1 ZINC000732290828 578703498 /nfs/dbraw/zinc/70/34/98/578703498.db2.gz DKUROYIGAVLXHC-UHFFFAOYSA-N 0 3 325.434 1.126 20 10 EDCDHN CN(C)C(=O)CCN1CCC(NC(=O)C2=CC(=O)CS2)CC1 ZINC000732290828 578703499 /nfs/dbraw/zinc/70/34/99/578703499.db2.gz DKUROYIGAVLXHC-UHFFFAOYSA-N 0 3 325.434 1.126 20 10 EDCDHN CN(C)c1ccc(CN(C)C(=O)NC2CCN(CCO)CC2)cc1 ZINC000732466510 578714181 /nfs/dbraw/zinc/71/41/81/578714181.db2.gz PCYLUQYSRCLBLM-UHFFFAOYSA-N 0 3 334.464 1.351 20 10 EDCDHN CC(C(=O)N(C)Cc1ccccc1O)S(=O)(=O)C1CCOCC1 ZINC000767881235 580202648 /nfs/dbraw/zinc/20/26/48/580202648.db2.gz KFSNYWQFBSZVKC-LBPRGKRZSA-N 0 3 341.429 1.333 20 10 EDCDHN CCOc1ccc(CN2CCC[C@H]2CS(=O)(=O)NC)c(O)c1 ZINC000769534617 580239518 /nfs/dbraw/zinc/23/95/18/580239518.db2.gz XCVXQZUXCGUXHA-ZDUSSCGKSA-N 0 3 328.434 1.305 20 10 EDCDHN COc1ccc(O)c([C@H](C)NCC(=O)N2CCC[C@H](NC(C)=O)C2)c1 ZINC000775373060 580389538 /nfs/dbraw/zinc/38/95/38/580389538.db2.gz LQEIWEPHIHXJGB-JSGCOSHPSA-N 0 3 349.431 1.179 20 10 EDCDHN COc1ccc(O)c([C@H](C)NCC(=O)N2CCOC[C@@H]2C2CC2)c1 ZINC000775377512 580389622 /nfs/dbraw/zinc/38/96/22/580389622.db2.gz GPQPQIUUJQUMTG-BLLLJJGKSA-N 0 3 334.416 1.689 20 10 EDCDHN COCCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000776813200 580429503 /nfs/dbraw/zinc/42/95/03/580429503.db2.gz UOTPFEDJQCJDSS-BLLLJJGKSA-N 0 3 325.361 1.031 20 10 EDCDHN CCNC(=O)C[C@@H]1CCCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000789521898 580748525 /nfs/dbraw/zinc/74/85/25/580748525.db2.gz UVDJHVKCFOPFSF-BBRMVZONSA-N 0 3 334.416 1.699 20 10 EDCDHN CCNC(=O)C[C@@H]1CCCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000789521898 580748526 /nfs/dbraw/zinc/74/85/26/580748526.db2.gz UVDJHVKCFOPFSF-BBRMVZONSA-N 0 3 334.416 1.699 20 10 EDCDHN CC(C)(C)[C@@H](O)C[C@@H](CO)NCc1ccc(N2CCOCC2)cc1 ZINC000790618876 580774044 /nfs/dbraw/zinc/77/40/44/580774044.db2.gz IUHDJOTUCLIQKG-WMZOPIPTSA-N 0 3 336.476 1.771 20 10 EDCDHN CC(C)(O)CC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 ZINC000792291060 580816456 /nfs/dbraw/zinc/81/64/56/580816456.db2.gz GOCHABUMYOXDLP-UHFFFAOYSA-N 0 3 345.487 1.996 20 10 EDCDHN CC[N@H+](CCOCCO)Cc1cc(Br)cc(OC)c1[O-] ZINC000800531291 581054487 /nfs/dbraw/zinc/05/44/87/581054487.db2.gz BEVMTBCVDXEBIP-UHFFFAOYSA-N 0 3 348.237 1.994 20 10 EDCDHN CC[N@@H+](CCOCCO)Cc1cc(Br)cc(OC)c1[O-] ZINC000800531291 581054488 /nfs/dbraw/zinc/05/44/88/581054488.db2.gz BEVMTBCVDXEBIP-UHFFFAOYSA-N 0 3 348.237 1.994 20 10 EDCDHN CN(C)C(=O)CCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000892028760 590757925 /nfs/dbraw/zinc/75/79/25/590757925.db2.gz PZMOOLUOKPDPDN-MRXNPFEDSA-N 0 3 349.479 1.133 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CC[C@H](C(N)=O)C2)N(C)C)cc1 ZINC000891244234 591014391 /nfs/dbraw/zinc/01/43/91/591014391.db2.gz YNBRNRHOSXCSAC-UXLLHSPISA-N 0 3 346.475 1.373 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCCN(C)C2=O)N(C)C)cc1 ZINC000891245768 591015058 /nfs/dbraw/zinc/01/50/58/591015058.db2.gz IXNKVAWAPJMIMH-IAGOWNOFSA-N 0 3 346.475 1.340 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)[C@@H]2C[C@]23CCOC3)N(C)C)cc1 ZINC000891246784 591015439 /nfs/dbraw/zinc/01/54/39/591015439.db2.gz DLIHGSNEOIXDLF-LNLFQRSKSA-N 0 3 331.460 1.898 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)CCc2cnccn2)N(C)C)cc1 ZINC000891249327 591017788 /nfs/dbraw/zinc/01/77/88/591017788.db2.gz QUMWSXSJUROJQO-SFHVURJKSA-N 0 3 341.459 1.894 20 10 EDCDHN Cc1nccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)n1 ZINC000891256236 591022412 /nfs/dbraw/zinc/02/24/12/591022412.db2.gz VZCNQFCXGXBNBI-KRWDZBQOSA-N 0 3 327.432 1.884 20 10 EDCDHN COC(=O)c1c(CNC[C@@H]2COCCO2)c2cc(F)ccc2n1C ZINC000894197543 591224317 /nfs/dbraw/zinc/22/43/17/591224317.db2.gz VNCLWRSNMVCTBT-GFCCVEGCSA-N 0 3 336.363 1.609 20 10 EDCDHN CCOCCONC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000894271846 591259459 /nfs/dbraw/zinc/25/94/59/591259459.db2.gz ODQIHLLVRPDGPJ-INIZCTEOSA-N 0 3 338.452 1.623 20 10 EDCDHN CCN(CC)c1ccc(CN[C@H]2C(=O)NCC23CCOCC3)cc1 ZINC000895772506 591269958 /nfs/dbraw/zinc/26/99/58/591269958.db2.gz GEYPFZCBSOPOLY-KRWDZBQOSA-N 0 3 331.460 1.918 20 10 EDCDHN COCCC(=O)N1CCC([NH2+]Cc2cc(C)cc(OC)c2[O-])CC1 ZINC000894337070 591282517 /nfs/dbraw/zinc/28/25/17/591282517.db2.gz NNNZGMBFCAORNK-UHFFFAOYSA-N 0 3 336.432 1.826 20 10 EDCDHN COc1cc(C)cc(C[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)c1[O-] ZINC000894359850 591289203 /nfs/dbraw/zinc/28/92/03/591289203.db2.gz SMXJVKWYHJNQAV-LBPRGKRZSA-N 0 3 328.434 1.080 20 10 EDCDHN C[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)c1n[nH]c(=O)n1C ZINC000895171949 591637058 /nfs/dbraw/zinc/63/70/58/591637058.db2.gz NGERZEOSVSQGKY-GFCCVEGCSA-N 0 3 331.420 1.333 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)N2CC[C@H](O)C2(C)C)N(C)C)cc1 ZINC000899103946 591684200 /nfs/dbraw/zinc/68/42/00/591684200.db2.gz PRODCDRWBOSURM-IRXDYDNUSA-N 0 3 348.491 1.910 20 10 EDCDHN CN(C)c1ccc(CN2CCC3(CC2)C[C@H](O)CNC3=O)cc1F ZINC000897040714 591722295 /nfs/dbraw/zinc/72/22/95/591722295.db2.gz JJCCQFORUDQWLW-AWEZNQCLSA-N 0 3 335.423 1.355 20 10 EDCDHN COc1ccc(CN[C@H]2CC[C@H](C)S(=O)(=O)C2)c(O)c1OC ZINC000895369391 591732100 /nfs/dbraw/zinc/73/21/00/591732100.db2.gz RCYJAPYNNNFFIM-JQWIXIFHSA-N 0 3 329.418 1.465 20 10 EDCDHN COc1ccc(C[NH2+]CCN2C[C@H]3CCCCN3C2=O)c([O-])c1OC ZINC000895468985 591768855 /nfs/dbraw/zinc/76/88/55/591768855.db2.gz XKFOFJNIPPFYSD-CQSZACIVSA-N 0 3 349.431 1.789 20 10 EDCDHN COc1ccc(CN2CCC3(CC2)C[C@H](O)CCO3)c(O)c1OC ZINC000897256426 591789922 /nfs/dbraw/zinc/78/99/22/591789922.db2.gz AKCSDNUYIGPERP-CQSZACIVSA-N 0 3 337.416 1.915 20 10 EDCDHN CC[C@H]([NH2+]C[C@]1(OC)CCS(=O)(=O)C1)c1ccc(C)cc1[O-] ZINC000903363390 592159066 /nfs/dbraw/zinc/15/90/66/592159066.db2.gz NTMPYPYDCUGYJV-GOEBONIOSA-N 0 3 327.446 1.945 20 10 EDCDHN CN(C)c1ccc(CN(C)C(=O)C(=O)N2CC[C@H]3CC[C@@]32CN)cc1 ZINC000904997859 592361486 /nfs/dbraw/zinc/36/14/86/592361486.db2.gz AJIGQUDEKUPSSL-DNVCBOLYSA-N 0 3 344.459 1.051 20 10 EDCDHN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C[C@]1(O)CCCN(C)C1 ZINC000910557448 592877506 /nfs/dbraw/zinc/87/75/06/592877506.db2.gz ASLYGUKPBAAHKI-OXQOHEQNSA-N 0 3 347.503 1.955 20 10 EDCDHN CC(=O)N[C@](C)(C(=O)NC[C@H](N)c1ccc(N(C)C)cc1)C(C)C ZINC000911665136 592973594 /nfs/dbraw/zinc/97/35/94/592973594.db2.gz AFNLUMZQAUQGMV-WMZOPIPTSA-N 0 3 334.464 1.419 20 10 EDCDHN CCCCN(C)CCNC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000804031979 593382877 /nfs/dbraw/zinc/38/28/77/593382877.db2.gz ZVDFWHHSCXLESD-HNNXBMFYSA-N 0 3 348.491 1.778 20 10 EDCDHN COc1cc(C)cc(CN2CCC(NS(C)(=O)=O)CC2)c1O ZINC000813153904 593520822 /nfs/dbraw/zinc/52/08/22/593520822.db2.gz YSAGCSYYBGHRMM-UHFFFAOYSA-N 0 3 328.434 1.223 20 10 EDCDHN CN(Cc1ccc(N2CCN(C)CC2)cc1)[C@@H]1CC(C)(C)OC1=O ZINC000814181167 593577929 /nfs/dbraw/zinc/57/79/29/593577929.db2.gz XAGCFAIRXQGOMV-QGZVFWFLSA-N 0 3 331.460 1.964 20 10 EDCDHN COC(=O)c1cn([C@H]2CCN(Cc3ccc(N(C)C)c(C)c3)C2)nn1 ZINC000815092308 593614485 /nfs/dbraw/zinc/61/44/85/593614485.db2.gz DOJQIGDFFWOVDD-HNNXBMFYSA-N 0 3 343.431 1.886 20 10 EDCDHN CN(C)C(=O)O[C@@H]1CCN(Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000824576388 594041332 /nfs/dbraw/zinc/04/13/32/594041332.db2.gz LOGXUEDFHJMSGU-GOSISDBHSA-N 0 3 346.475 1.711 20 10 EDCDHN c1cn([C@@H]2CCCN(Cc3ccc(N4CCOCC4)cc3)C2)nn1 ZINC000822497434 594057985 /nfs/dbraw/zinc/05/79/85/594057985.db2.gz DNRYPKHHYZNESN-GOSISDBHSA-N 0 3 327.432 1.952 20 10 EDCDHN CN(Cc1ccccc1O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000823119715 594155913 /nfs/dbraw/zinc/15/59/13/594155913.db2.gz CPGQREXMAUHTQS-MRXNPFEDSA-N 0 3 333.432 1.787 20 10 EDCDHN CN(C)CCN(C/C=C\c1ccc(N(C)C)cc1)CC(=O)N(C)C ZINC000827158675 594649285 /nfs/dbraw/zinc/64/92/85/594649285.db2.gz SWJAAZMDSIREMB-FPLPWBNLSA-N 0 3 332.492 1.718 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNC(=O)c2ccnc(C3CC3)n2)cc1 ZINC000832274589 594739579 /nfs/dbraw/zinc/73/95/79/594739579.db2.gz WDDBJDMSUYTSEI-OAHLLOKOSA-N 0 3 325.416 1.850 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNC(=O)c2cc(C3CC3)n(C)n2)cc1 ZINC000832274639 594739704 /nfs/dbraw/zinc/73/97/04/594739704.db2.gz WLRJYVXEFLYSKA-OAHLLOKOSA-N 0 3 327.432 1.793 20 10 EDCDHN CC(C)[C@@H](C(=O)NC[C@H](N)c1ccc(N(C)C)cc1)N1CCCC1=O ZINC000832279827 594739874 /nfs/dbraw/zinc/73/98/74/594739874.db2.gz KYOTZQKCOOHKGO-WMZOPIPTSA-N 0 3 346.475 1.516 20 10 EDCDHN C[C@@H](CNC(=O)NCc1ccc(N2CCSCC2)cc1)N(C)C ZINC000836243396 594942432 /nfs/dbraw/zinc/94/24/32/594942432.db2.gz WOJVQFNBYOORJY-AWEZNQCLSA-N 0 3 336.505 1.989 20 10 EDCDHN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CNCCC2(F)F)c1 ZINC000842003660 594999871 /nfs/dbraw/zinc/99/98/71/594999871.db2.gz ODLLYNHBTWCSGO-TVQRCGJNSA-N 0 3 329.347 1.758 20 10 EDCDHN CC(=O)N1CCCC[C@H]1C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1 ZINC000843297336 595066258 /nfs/dbraw/zinc/06/62/58/595066258.db2.gz HLWLREBALSORJH-SJORKVTESA-N 0 3 332.448 1.270 20 10 EDCDHN Cc1cc(C(=O)N2CCN(C)C[C@@H]2CN)c(C)n1-c1ccc(F)cc1 ZINC000843357144 595086509 /nfs/dbraw/zinc/08/65/09/595086509.db2.gz DVJPSWIMQHNHIO-KRWDZBQOSA-N 0 3 344.434 1.948 20 10 EDCDHN COc1cccc([C@@H](C)N[C@H]2CCCN(c3ccn(C)n3)C2=O)c1O ZINC000846154122 595159440 /nfs/dbraw/zinc/15/94/40/595159440.db2.gz KKDPCUWFEVCRJW-OCCSQVGLSA-N 0 3 344.415 1.981 20 10 EDCDHN COc1cccc([C@H](C)N[C@@H]2CCN(c3cc(C)nn3C)C2=O)c1O ZINC000846154580 595159721 /nfs/dbraw/zinc/15/97/21/595159721.db2.gz OCVWZOAVQOHUJO-GXTWGEPZSA-N 0 3 344.415 1.899 20 10 EDCDHN Cc1n[nH]c(C)c1S(=O)(=O)NC[C@@H](N)c1ccc(N(C)C)cc1 ZINC000842783919 595196892 /nfs/dbraw/zinc/19/68/92/595196892.db2.gz FMWDJOIIBJMUKT-CQSZACIVSA-N 0 3 337.449 1.071 20 10 EDCDHN CN(C)c1ccc(/C=C\CN2CCC(C(=O)NCCO)CC2)cc1 ZINC000835025293 595246517 /nfs/dbraw/zinc/24/65/17/595246517.db2.gz HKMKVLHUNBBBCO-ARJAWSKDSA-N 0 3 331.460 1.586 20 10 EDCDHN CN(C)C(=O)[C@@H]1CC[C@H](CNC/C=C/c2ccc(N(C)C)cc2)O1 ZINC000835043741 595252380 /nfs/dbraw/zinc/25/23/80/595252380.db2.gz YLVRPBILUJBGBI-VGRIIWOTSA-N 0 3 331.460 1.991 20 10 EDCDHN C[C@@H]1CCN[C@@H](C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1 ZINC000844173754 595291461 /nfs/dbraw/zinc/29/14/61/595291461.db2.gz UUQKKHKZQJBVCQ-CXAGYDPISA-N 0 3 349.450 1.791 20 10 EDCDHN COc1ccc(N(C)CCN(C)C(=O)CNC[C@@H]2CCCO2)cc1 ZINC000846696314 595303418 /nfs/dbraw/zinc/30/34/18/595303418.db2.gz FEVRSBSUWQVSDT-KRWDZBQOSA-N 0 3 335.448 1.358 20 10 EDCDHN CCc1cccc(C[NH2+][C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)c1[O-] ZINC000848900556 595464697 /nfs/dbraw/zinc/46/46/97/595464697.db2.gz NXCJEDZMVNBZNK-DOTOQJQBSA-N 0 3 339.457 1.781 20 10 EDCDHN c1nnc2ccc(N3CC[C@H](NCc4ccc5c(c4)CCO5)C3)nn12 ZINC000858244842 595741917 /nfs/dbraw/zinc/74/19/17/595741917.db2.gz JAJSHNJICAVWGI-HNNXBMFYSA-N 0 3 336.399 1.428 20 10 EDCDHN C[C@H]([NH2+][C@H]1CCN(c2ccc3nncn3n2)C1)c1cc(F)ccc1[O-] ZINC000858489026 595808063 /nfs/dbraw/zinc/80/80/63/595808063.db2.gz QESVOUWYZTXGTJ-AAEUAGOBSA-N 0 3 342.378 1.899 20 10 EDCDHN Nc1ccc(CCNC(=O)NC2CCN([C@@H]3CCOC3)CC2)cc1 ZINC000851663094 595873862 /nfs/dbraw/zinc/87/38/62/595873862.db2.gz SORHSVNFFUKFJW-QGZVFWFLSA-N 0 3 332.448 1.364 20 10 EDCDHN COc1ccc(N2CC[C@@H](NC(=O)NCC3=CCN(C)CC3)C2)cc1 ZINC000854298613 596026026 /nfs/dbraw/zinc/02/60/26/596026026.db2.gz GTGDSOHDXSHZCG-MRXNPFEDSA-N 0 3 344.459 1.835 20 10 EDCDHN Cc1cc(O)c(CN2CC[C@@H](NS(C)(=O)=O)C2)cc1C(C)C ZINC000116870057 596151100 /nfs/dbraw/zinc/15/11/00/596151100.db2.gz UQUIQOOCYUKILI-CQSZACIVSA-N 0 3 326.462 1.948 20 10 EDCDHN C[C@H]1CN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@@]1(C)CO ZINC000852700026 596229770 /nfs/dbraw/zinc/22/97/70/596229770.db2.gz AWEIYAKUAPJLHT-KXBFYZLASA-N 0 3 333.476 1.661 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNS(=O)(=O)CCC(C)(F)F)cc1 ZINC000866757305 596325234 /nfs/dbraw/zinc/32/52/34/596325234.db2.gz PPSCPARVVNXLGQ-ZDUSSCGKSA-N 0 3 335.420 1.717 20 10 EDCDHN Cc1ccn(C[C@@H](C)C(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)n1 ZINC000870933666 596411473 /nfs/dbraw/zinc/41/14/73/596411473.db2.gz STNRFNUZPZIRKT-CXAGYDPISA-N 0 3 329.448 1.710 20 10 EDCDHN CC(C)(O)C[C@H](O)CNCc1ccc(N2CCOCC2)c(F)c1 ZINC000872200956 596833167 /nfs/dbraw/zinc/83/31/67/596833167.db2.gz NTIZOSXIYPIXDM-AWEZNQCLSA-N 0 3 326.412 1.274 20 10 EDCDHN NCc1cn(-c2cccc(CNCc3ccc4c(c3)CCO4)c2)nn1 ZINC000873219348 597231142 /nfs/dbraw/zinc/23/11/42/597231142.db2.gz YHECDHMGQZJBTH-UHFFFAOYSA-N 0 3 335.411 1.951 20 10 EDCDHN CN(C)C[C@H](N)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000876739859 597315589 /nfs/dbraw/zinc/31/55/89/597315589.db2.gz JRONQIKYSCQINM-SFHVURJKSA-N 0 3 332.492 1.961 20 10 EDCDHN CN(Cc1ccc(N2CCC(O)CC2)cc1)[C@H]1CCN2CCO[C@H]1C2 ZINC000877557581 597535165 /nfs/dbraw/zinc/53/51/65/597535165.db2.gz USFOXHYQHYINKP-PMACEKPBSA-N 0 3 345.487 1.553 20 10 EDCDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181045556 699088995 /nfs/dbraw/zinc/08/89/95/699088995.db2.gz HGGLDHUEXNTRRK-VFADXPBXSA-N 0 3 334.416 1.680 20 10 EDCDHN CN1CCN(CCC(C)(C)NC(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000184220956 703081172 /nfs/dbraw/zinc/08/11/72/703081172.db2.gz SIEPOMCNKNDBNK-FNORWQNLSA-N 0 3 347.459 1.643 20 10 EDCDHN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N(C)CCN(C)C ZINC000359785186 250157248 /nfs/dbraw/zinc/15/72/48/250157248.db2.gz DOHZKTFSGCWSQO-UHFFFAOYSA-N 0 3 330.432 1.123 20 10 EDCDHN COc1c([O-])c(C[NH2+]C[C@@H]2CN3CCC[C@@H]3CO2)ccc1[N+](=O)[O-] ZINC000365492171 250187077 /nfs/dbraw/zinc/18/70/77/250187077.db2.gz LYPCFMHCAAJFEL-CHWSQXEVSA-N 0 3 337.376 1.262 20 10 EDCDHN Cc1cc([O-])c(C[NH2+]C[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)cc1C ZINC000371083678 250211276 /nfs/dbraw/zinc/21/12/76/250211276.db2.gz DDNYYJLYGIYHMF-KBXCAEBGSA-N 0 3 331.416 1.819 20 10 EDCDHN Cc1cccc(C[NH+]2CCC(NC(=O)c3cnn(C)c3)CC2)c1[O-] ZINC000378436819 447426991 /nfs/dbraw/zinc/42/69/91/447426991.db2.gz DLWAJTLCBQVSCS-UHFFFAOYSA-N 0 3 328.416 1.829 20 10 EDCDHN COCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cc(OC)ccc1[O-])CC2 ZINC000186102867 442463194 /nfs/dbraw/zinc/46/31/94/442463194.db2.gz IJBGNJKYGIQZLU-NEPJUHHUSA-N 0 3 332.404 1.804 20 10 EDCDHN C[C@@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1ccccc1[O-] ZINC000183626981 442947887 /nfs/dbraw/zinc/94/78/87/442947887.db2.gz NAGLTYWZNHWWDS-NEPJUHHUSA-N 0 3 341.454 1.939 20 10 EDCDHN O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1cccc(O)c1[O-] ZINC000189911263 443028417 /nfs/dbraw/zinc/02/84/17/443028417.db2.gz IZSWWIPDZRJOLX-LSDHHAIUSA-N 0 3 334.416 1.596 20 10 EDCDHN Cc1cc(O)c(CN2CCCC[C@@H]2CNS(C)(=O)=O)cc1C ZINC000263990662 443244033 /nfs/dbraw/zinc/24/40/33/443244033.db2.gz GJRNJJJMUSEAEU-OAHLLOKOSA-N 0 3 326.462 1.913 20 10 EDCDHN O=C1CNC(=O)N1CCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000264593555 443338724 /nfs/dbraw/zinc/33/87/24/443338724.db2.gz HKMJTNJWCVNQFD-OAHLLOKOSA-N 0 3 347.415 1.315 20 10 EDCDHN O=C1CNC(=O)N1CCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000264593555 443338726 /nfs/dbraw/zinc/33/87/26/443338726.db2.gz HKMJTNJWCVNQFD-OAHLLOKOSA-N 0 3 347.415 1.315 20 10 EDCDHN Cc1ccc(O)c(CN2CCN(c3nccn4cnnc34)[C@@H](C)C2)c1 ZINC000271312909 443500500 /nfs/dbraw/zinc/50/05/00/443500500.db2.gz XHEDYBGYHQSSNI-AWEZNQCLSA-N 0 3 338.415 1.849 20 10 EDCDHN COc1cc([O-])c(C[NH2+][C@H](CO)C[C@H](O)C(C)(C)C)cc1OC ZINC000284284020 443771982 /nfs/dbraw/zinc/77/19/82/443771982.db2.gz ATHTUWDNLDYQLJ-LRDDRELGSA-N 0 3 327.421 1.657 20 10 EDCDHN CNC(=O)[C@H]1C[N@H+](Cc2cccc(C)c2[O-])C[C@@H]1c1cnn(C)c1 ZINC000284679617 443782540 /nfs/dbraw/zinc/78/25/40/443782540.db2.gz VNLAHUZDXNBZFP-CVEARBPZSA-N 0 3 328.416 1.396 20 10 EDCDHN CNC(=O)[C@H]1C[N@@H+](Cc2cccc(C)c2[O-])C[C@@H]1c1cnn(C)c1 ZINC000284679617 443782545 /nfs/dbraw/zinc/78/25/45/443782545.db2.gz VNLAHUZDXNBZFP-CVEARBPZSA-N 0 3 328.416 1.396 20 10 EDCDHN CCN1CCN(CCCCNC(=O)N(C)Cc2ccccc2O)CC1 ZINC000298666207 443833157 /nfs/dbraw/zinc/83/31/57/443833157.db2.gz KJZDFTSAOWTMQN-UHFFFAOYSA-N 0 3 348.491 1.951 20 10 EDCDHN CNS(=O)(=O)C1CCN(Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000292966273 443890853 /nfs/dbraw/zinc/89/08/53/443890853.db2.gz DCJJQUFTOFRHEA-UHFFFAOYSA-N 0 3 325.478 1.575 20 10 EDCDHN Cc1cc(CN2CCC[C@@H](CS(N)(=O)=O)C2)ccc1N(C)C ZINC000292884343 443869206 /nfs/dbraw/zinc/86/92/06/443869206.db2.gz UMWXUNSFKYUUJZ-OAHLLOKOSA-N 0 3 325.478 1.562 20 10 EDCDHN COc1cccc(C[NH2+]C[C@H]2CCCC[C@H]2NS(C)(=O)=O)c1[O-] ZINC000285441835 443985471 /nfs/dbraw/zinc/98/54/71/443985471.db2.gz IJSMIAPFJAOKHL-TZMCWYRMSA-N 0 3 342.461 1.598 20 10 EDCDHN O=C(N1CCCC1)N1CCC[C@@H]([NH2+]Cc2cc3c(cc2[O-])OCO3)C1 ZINC000285475900 443998960 /nfs/dbraw/zinc/99/89/60/443998960.db2.gz KYCRGYHEYZIPJT-CQSZACIVSA-N 0 3 347.415 1.891 20 10 EDCDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)c1 ZINC000289068156 444046161 /nfs/dbraw/zinc/04/61/61/444046161.db2.gz AAEOJPQQJOCOFT-CQSZACIVSA-N 0 3 326.462 1.804 20 10 EDCDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)c1 ZINC000289068156 444046164 /nfs/dbraw/zinc/04/61/64/444046164.db2.gz AAEOJPQQJOCOFT-CQSZACIVSA-N 0 3 326.462 1.804 20 10 EDCDHN CCOc1cccc(CN2CC[C@]3(C2)NC(=O)N(C(C)C)C3=O)c1O ZINC000362795720 445553932 /nfs/dbraw/zinc/55/39/32/445553932.db2.gz CRRYXXTUZVHWSG-GOSISDBHSA-N 0 3 347.415 1.696 20 10 EDCDHN CCOc1ccc([O-])c(C[NH2+][C@@H]2CCC(=O)N[C@H]2[C@@H]2CCCO2)c1 ZINC000368081846 446628939 /nfs/dbraw/zinc/62/89/39/446628939.db2.gz PUHWPQVKGHBZIH-UWWQBHOKSA-N 0 3 334.416 1.707 20 10 EDCDHN COc1ccc([O-])c(C[NH2+]C[C@]2(N3CCOCC3)CCCOC2)c1 ZINC000368593008 446966483 /nfs/dbraw/zinc/96/64/83/446966483.db2.gz OXQNLUKDHVXQNB-GOSISDBHSA-N 0 3 336.432 1.372 20 10 EDCDHN COc1cc(Br)cc(C[NH2+]C[C@@H]2COCCN2)c1[O-] ZINC000530182088 449071415 /nfs/dbraw/zinc/07/14/15/449071415.db2.gz RDHLJPAIRJIRJL-LLVKDONJSA-N 0 3 331.210 1.241 20 10 EDCDHN CC[C@H](O)[C@@H]1CCCCN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000299345610 522824225 /nfs/dbraw/zinc/82/42/25/522824225.db2.gz QPTUZOHQEHEFFH-ROUUACIJSA-N 0 3 333.476 1.994 20 10 EDCDHN COc1ccc(N2CCN(CCNc3cc(C)nc(N)n3)CC2)cc1 ZINC000742928272 579465782 /nfs/dbraw/zinc/46/57/82/579465782.db2.gz JZHRAZBQJZWRFL-UHFFFAOYSA-N 0 3 342.447 1.610 20 10 EDCDHN O=C(CNCc1cc2c(cc1O)OCO2)N1CCc2ccccc21 ZINC000729684709 578587513 /nfs/dbraw/zinc/58/75/13/578587513.db2.gz DOFYLLPOTIJVIY-UHFFFAOYSA-N 0 3 326.352 1.800 20 10 EDCDHN CN1CCN(c2ccc(CN3CC[C@@H](n4cncn4)C3)cc2)CC1 ZINC000777223495 580437580 /nfs/dbraw/zinc/43/75/80/580437580.db2.gz ZUEWXFHOKQEVBU-GOSISDBHSA-N 0 3 326.448 1.477 20 10 EDCDHN C[C@@H]1C[C@H]([NH2+]CCCN(C)S(C)(=O)=O)c2c1c(F)ccc2[O-] ZINC000756405253 579949512 /nfs/dbraw/zinc/94/95/12/579949512.db2.gz YONVBSNRMPOXMA-PWSUYJOCSA-N 0 3 330.425 1.951 20 10 EDCDHN C[C@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cnn(C)c1 ZINC000765250925 580138379 /nfs/dbraw/zinc/13/83/79/580138379.db2.gz DSEWLUAJZIYSBZ-GOEBONIOSA-N 0 3 341.459 1.973 20 10 EDCDHN CCN(CC)C(=O)CN1CCCN(Cc2c(O)cccc2OC)CC1 ZINC000768250736 580209722 /nfs/dbraw/zinc/20/97/22/580209722.db2.gz CAEDAOHVFUYGHH-UHFFFAOYSA-N 0 3 349.475 1.777 20 10 EDCDHN COc1ccc(O)c([C@@H](C)N[C@@H](C)C(=O)NC(=O)NCC(C)C)c1 ZINC000775370537 580389456 /nfs/dbraw/zinc/38/94/56/580389456.db2.gz HCELFAOKQCQAJY-NEPJUHHUSA-N 0 3 337.420 1.922 20 10 EDCDHN CCN1CCN(CCC(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000775403273 580390194 /nfs/dbraw/zinc/39/01/94/580390194.db2.gz IRTYWNQBGVJOKI-MRXNPFEDSA-N 0 3 332.492 1.957 20 10 EDCDHN CC(C)[C@@H]1C(=O)NCCN1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775675723 580396943 /nfs/dbraw/zinc/39/69/43/580396943.db2.gz ABXHAUGOSGLYFH-GOSISDBHSA-N 0 3 330.476 1.395 20 10 EDCDHN CN1CCN(c2ccc(CN3CCC[C@@H](OCCO)C3)cc2)CC1 ZINC000775687882 580397282 /nfs/dbraw/zinc/39/72/82/580397282.db2.gz JVGWDOCRGOUQGU-LJQANCHMSA-N 0 3 333.476 1.412 20 10 EDCDHN Cc1cc(Cl)cc(C[NH2+]CC2(O)CCS(=O)(=O)CC2)c1[O-] ZINC000776215067 580411570 /nfs/dbraw/zinc/41/15/70/580411570.db2.gz VYYMDKABHYTKGQ-UHFFFAOYSA-N 0 3 333.837 1.383 20 10 EDCDHN COC[C@H](NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1CCCO1 ZINC000788534654 580723868 /nfs/dbraw/zinc/72/38/68/580723868.db2.gz HRJBWNNAVVSARQ-FUHWJXTLSA-N 0 3 338.423 1.946 20 10 EDCDHN O=C1C[C@@]2(CCN(Cc3ccc(N4CCOCC4)c(F)c3)C2)CN1 ZINC000789766838 580753014 /nfs/dbraw/zinc/75/30/14/580753014.db2.gz AIPAYICUGVZISV-SFHVURJKSA-N 0 3 333.407 1.374 20 10 EDCDHN CN(C)c1ccc(CN(C)C(=O)CN2CC[C@H]3CN(C)C[C@H]32)cc1 ZINC000794926599 580908342 /nfs/dbraw/zinc/90/83/42/580908342.db2.gz CNEOEYDLLRBDHT-FUHWJXTLSA-N 0 3 330.476 1.347 20 10 EDCDHN CCn1ncc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)n1 ZINC000891250715 591019753 /nfs/dbraw/zinc/01/97/53/591019753.db2.gz ZHLTZHKDIDDSHT-MRXNPFEDSA-N 0 3 330.436 1.397 20 10 EDCDHN CN1C[C@H]2CCN(C(=O)NCCCSc3nccs3)[C@@H]2C1 ZINC000893645628 591034128 /nfs/dbraw/zinc/03/41/28/591034128.db2.gz LJEUHUXFPPMPNH-VXGBXAGGSA-N 0 3 326.491 1.971 20 10 EDCDHN COc1cc(C)cc(CN[C@@H]2CCCN(S(C)(=O)=O)C2)c1O ZINC000894204252 591226915 /nfs/dbraw/zinc/22/69/15/591226915.db2.gz KZXKVGMPTMSDNT-CYBMUJFWSA-N 0 3 328.434 1.223 20 10 EDCDHN COC(=O)c1c(CNCCc2nc(C)n[nH]2)c2cc(F)ccc2n1C ZINC000894430017 591310203 /nfs/dbraw/zinc/31/02/03/591310203.db2.gz VHUVGVMRAQAFAY-UHFFFAOYSA-N 0 3 345.378 1.863 20 10 EDCDHN C[C@H](O)[C@H]1CCN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000899102144 591682502 /nfs/dbraw/zinc/68/25/02/591682502.db2.gz KHJGUXRAMJUWTI-ZVZYQTTQSA-N 0 3 348.491 1.768 20 10 EDCDHN CC(C)C1(O)CN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000899105481 591685507 /nfs/dbraw/zinc/68/55/07/591685507.db2.gz XECWVUCDLFSRDK-QGZVFWFLSA-N 0 3 348.491 1.768 20 10 EDCDHN C[C@@H](O)[C@H]1CCCN1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899098419 591688288 /nfs/dbraw/zinc/68/82/88/591688288.db2.gz NQKLDHQKEHTHEU-ZTFGCOKTSA-N 0 3 348.491 1.910 20 10 EDCDHN CCOC1CN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000899100947 591689787 /nfs/dbraw/zinc/68/97/87/591689787.db2.gz DKPBWVIBOFFAJL-QGZVFWFLSA-N 0 3 334.464 1.786 20 10 EDCDHN COc1ccc(CN2CCC([C@@H]3COC(=O)N3)CC2)c(O)c1OC ZINC000897018382 591713273 /nfs/dbraw/zinc/71/32/73/591713273.db2.gz FWMHINUXJLOSLN-ZDUSSCGKSA-N 0 3 336.388 1.730 20 10 EDCDHN Cn1cc([C@@]2(C[NH2+]Cc3cc4c(cc3[O-])OCO4)CCCO2)cn1 ZINC000898058110 591768935 /nfs/dbraw/zinc/76/89/35/591768935.db2.gz KZJFFEFOYQHEAX-KRWDZBQOSA-N 0 3 331.372 1.650 20 10 EDCDHN O=C1NCCC2(CC[NH+](Cc3cc4c(cc3[O-])OC[C@H]4O)CC2)O1 ZINC000902509517 592004518 /nfs/dbraw/zinc/00/45/18/592004518.db2.gz JMORGEJYUOPTSN-CQSZACIVSA-N 0 3 334.372 1.283 20 10 EDCDHN Cn1ccc(C2CC[NH+](Cc3cc4c(cc3[O-])OC[C@H]4O)CC2)n1 ZINC000905721550 592629631 /nfs/dbraw/zinc/62/96/31/592629631.db2.gz FOHSDWGBJBQPPV-QGZVFWFLSA-N 0 3 329.400 1.931 20 10 EDCDHN COc1ccc(CNC(=O)CCN2CCN(C(C)C)CC2)c(O)c1 ZINC000907926837 592848456 /nfs/dbraw/zinc/84/84/56/592848456.db2.gz RPWKPZMZWOGAKY-UHFFFAOYSA-N 0 3 335.448 1.433 20 10 EDCDHN CCCN(Cc1ccccc1O)C(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000839272264 593286932 /nfs/dbraw/zinc/28/69/32/593286932.db2.gz MOJVIAUCDLGIOA-GOEBONIOSA-N 0 3 345.443 1.293 20 10 EDCDHN CON(C)C(=O)C1CC[NH+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000812293699 593494676 /nfs/dbraw/zinc/49/46/76/593494676.db2.gz XDEBUXKDLWKMDA-OAHLLOKOSA-N 0 3 336.388 1.050 20 10 EDCDHN O[C@@H](CNCc1ccc(N2CCCC2)cc1)COC1CCOCC1 ZINC000818953079 593730005 /nfs/dbraw/zinc/73/00/05/593730005.db2.gz AYYJMPLZXSVWOV-SFHVURJKSA-N 0 3 334.460 1.933 20 10 EDCDHN CN(Cc1ccc(N2CCOCC2)c(F)c1)[C@H]1CCN2CCO[C@H]1C2 ZINC000824501626 594025501 /nfs/dbraw/zinc/02/55/01/594025501.db2.gz QOJKLWIIQXWKMW-OALUTQOASA-N 0 3 349.450 1.567 20 10 EDCDHN COC[C@]1(CO)CCN(Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000825158457 594138339 /nfs/dbraw/zinc/13/83/39/594138339.db2.gz MGHBHRKXPLIFRC-GOSISDBHSA-N 0 3 338.423 1.493 20 10 EDCDHN CCC(=O)N1CCC[C@H](C(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)C1 ZINC000832272956 594739436 /nfs/dbraw/zinc/73/94/36/594739436.db2.gz KKIVXSPBTCAIJY-DOTOQJQBSA-N 0 3 346.475 1.517 20 10 EDCDHN CC1CCN(c2ccc(CNC(=O)NC[C@H]3CNCCO3)cc2)CC1 ZINC000841793154 594953944 /nfs/dbraw/zinc/95/39/44/594953944.db2.gz JEIHVJZOPBHVQX-GOSISDBHSA-N 0 3 346.475 1.711 20 10 EDCDHN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1CNCCC1(F)F ZINC000841832005 594959742 /nfs/dbraw/zinc/95/97/42/594959742.db2.gz KQGVXHIPJIIZOE-OAHLLOKOSA-N 0 3 336.386 1.859 20 10 EDCDHN COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000843489134 595127142 /nfs/dbraw/zinc/12/71/42/595127142.db2.gz GONQFVNMVYWLDN-OAHLLOKOSA-N 0 3 344.770 1.249 20 10 EDCDHN [NH3+]CCNC(=O)[C@H]1CCCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000843047929 595272667 /nfs/dbraw/zinc/27/26/67/595272667.db2.gz CAHZPBZYDPPNCT-JTQLQIEISA-N 0 3 329.803 1.472 20 10 EDCDHN CN(CC(=O)N1CCNCC1)Cc1ccc(N2CCCCC2)cc1 ZINC000843047351 595272818 /nfs/dbraw/zinc/27/28/18/595272818.db2.gz RNHWMTVPPPKLQK-UHFFFAOYSA-N 0 3 330.476 1.541 20 10 EDCDHN COc1ccc(N(C)CCN(C)C(=O)[C@H](N)CCSC)cc1 ZINC000846697646 595303483 /nfs/dbraw/zinc/30/34/83/595303483.db2.gz TXFASMIQZOQSTC-OAHLLOKOSA-N 0 3 325.478 1.670 20 10 EDCDHN Cc1cc(C(=O)N2CCN3C[C@H](O)C[C@H]3C2)c(C)n1-c1ccccn1 ZINC000848306966 595357474 /nfs/dbraw/zinc/35/74/74/595357474.db2.gz BAOVUTJUKGXJMV-JKSUJKDBSA-N 0 3 340.427 1.380 20 10 EDCDHN [O-]c1cc2c(cc1C[NH+]1CCC(Cn3cnnc3)CC1)[C@@H](O)CO2 ZINC000844734984 595386182 /nfs/dbraw/zinc/38/61/82/595386182.db2.gz AGDOOJJOOLQIPA-INIZCTEOSA-N 0 3 330.388 1.322 20 10 EDCDHN CO[C@](C)(CO)CN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000848557589 595404905 /nfs/dbraw/zinc/40/49/05/595404905.db2.gz GEBYHRCFVJRVGF-GUYCJALGSA-N 0 3 326.412 1.710 20 10 EDCDHN COc1cc(Br)cc(C[NH2+]C[C@@](C)(CO)OC)c1[O-] ZINC000848560358 595405639 /nfs/dbraw/zinc/40/56/39/595405639.db2.gz LURLRVUDKQNFKA-ZDUSSCGKSA-N 0 3 334.210 1.650 20 10 EDCDHN COc1ccc([O-])c(CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)c1 ZINC000849111962 595483901 /nfs/dbraw/zinc/48/39/01/595483901.db2.gz NNSOASSRQVCJBG-UHFFFAOYSA-N 0 3 338.408 1.539 20 10 EDCDHN COc1ccc(N2CCN(C(=O)CN3CC4CC3(C)C4)CC2)cc1 ZINC000852785971 595541609 /nfs/dbraw/zinc/54/16/09/595541609.db2.gz SAFAPUTWGZIFMZ-UHFFFAOYSA-N 0 3 329.444 1.828 20 10 EDCDHN Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)NCc2ccc(O)c(O)c2)cn1 ZINC000849562757 595569804 /nfs/dbraw/zinc/56/98/04/595569804.db2.gz HAGGHNOAXPGMOO-GJZGRUSLSA-N 0 3 344.415 1.183 20 10 EDCDHN O[C@@H](CNCc1ccc(N2CCOCC2)c(F)c1)c1ccccn1 ZINC000853099022 595664003 /nfs/dbraw/zinc/66/40/03/595664003.db2.gz OAANZYMAPVSNJV-SFHVURJKSA-N 0 3 331.391 1.881 20 10 EDCDHN COc1cccc([O-])c1C[NH2+][C@H]1CCN(c2ccc3nncn3n2)C1 ZINC000858244613 595741335 /nfs/dbraw/zinc/74/13/35/595741335.db2.gz XUPUDPVJOAAWSF-LBPRGKRZSA-N 0 3 340.387 1.207 20 10 EDCDHN O=[N+]([O-])c1cc(CNCCN2CC[C@H](O)C2)ccc1N1CCCCC1 ZINC000858339153 595768946 /nfs/dbraw/zinc/76/89/46/595768946.db2.gz PXZVUWYZCDUEHC-INIZCTEOSA-N 0 3 348.447 1.741 20 10 EDCDHN CO[C@H](CNCc1ccc(N2CCOCC2)c(F)c1)[C@H]1CCOC1 ZINC000850342909 595813321 /nfs/dbraw/zinc/81/33/21/595813321.db2.gz OKPKVEFUAMXDOB-MAUKXSAKSA-N 0 3 338.423 1.803 20 10 EDCDHN CO[C@@H](CNCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCOC1 ZINC000850342910 595813415 /nfs/dbraw/zinc/81/34/15/595813415.db2.gz OKPKVEFUAMXDOB-QAPCUYQASA-N 0 3 338.423 1.803 20 10 EDCDHN CC(C)NC(=O)[C@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000853602295 595825991 /nfs/dbraw/zinc/82/59/91/595825991.db2.gz QRCRYEXAIDNPQO-LRDDRELGSA-N 0 3 334.416 1.555 20 10 EDCDHN CC(C)NC(=O)[C@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000853602295 595825994 /nfs/dbraw/zinc/82/59/94/595825994.db2.gz QRCRYEXAIDNPQO-LRDDRELGSA-N 0 3 334.416 1.555 20 10 EDCDHN C[C@H](NC[C@@](O)(C(N)=O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000851950865 595982806 /nfs/dbraw/zinc/98/28/06/595982806.db2.gz TUBPRIBLIVICPR-LIRRHRJNSA-N 0 3 327.428 1.776 20 10 EDCDHN OC[C@@H]1CN(Cc2cc3c(cc2O)OC[C@@H]3O)C[C@H]1C(F)(F)F ZINC000872688563 597033513 /nfs/dbraw/zinc/03/35/13/597033513.db2.gz VXCJLDGUGOWSBG-NDMJEZRESA-N 0 3 333.306 1.421 20 10 EDCDHN COc1ccc2ccc([O-])c(C[N@@H+]3C[C@@H]4C(=O)N(C)C(=O)[C@@H]4C3)c2c1 ZINC000872714565 597041830 /nfs/dbraw/zinc/04/18/30/597041830.db2.gz MWRBAJQRRBSUTM-IYBDPMFKSA-N 0 3 340.379 1.601 20 10 EDCDHN COc1ccc2ccc([O-])c(C[N@H+]3C[C@@H]4C(=O)N(C)C(=O)[C@@H]4C3)c2c1 ZINC000872714565 597041834 /nfs/dbraw/zinc/04/18/34/597041834.db2.gz MWRBAJQRRBSUTM-IYBDPMFKSA-N 0 3 340.379 1.601 20 10 EDCDHN COC[C@]1(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CCCCN1 ZINC000876959864 597397185 /nfs/dbraw/zinc/39/71/85/597397185.db2.gz QGYWFNMJZQJUML-BEFAXECRSA-N 0 3 347.459 1.549 20 10 EDCDHN CN(C)c1ccc(CNC(=O)CN2CCC[C@@H](C(C)(C)O)C2)cc1 ZINC000879962696 597786697 /nfs/dbraw/zinc/78/66/97/597786697.db2.gz QPTFUZSTGIVTBZ-MRXNPFEDSA-N 0 3 333.476 1.852 20 10 EDCDHN C[C@H](NC(=O)N[C@@H]1CCN(C)[C@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000914400717 695388686 /nfs/dbraw/zinc/38/86/86/695388686.db2.gz RWLCZMHGQKZSLK-RLFYNMQTSA-N 0 3 346.475 1.976 20 10 EDCDHN C[C@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)c1cc(F)ccc1[O-] ZINC000185050509 698856499 /nfs/dbraw/zinc/85/64/99/698856499.db2.gz XNOWPEDBUBXOSW-NSHDSACASA-N 0 3 345.374 1.597 20 10 EDCDHN C[C@H](O)CN1CC[C@@H](N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001033700332 708526238 /nfs/dbraw/zinc/52/62/38/708526238.db2.gz XLERXORZHBUFJD-SMDDNHRTSA-N 0 3 333.392 1.376 20 10 EDCDHN CN(C)c1ccc(CN(C)C(=O)CN[C@H]2CCO[C@H]2C2CC2)cc1 ZINC000368905054 250201851 /nfs/dbraw/zinc/20/18/51/250201851.db2.gz MTDHVEQNXFHKSS-HKUYNNGSSA-N 0 3 331.460 1.868 20 10 EDCDHN COc1ccc([O-])c([C@H](C)[NH2+]C2CCN(c3nnnn3C)CC2)c1 ZINC000370374678 250205594 /nfs/dbraw/zinc/20/55/94/250205594.db2.gz OFKDPQIETOXJJH-NSHDSACASA-N 0 3 332.408 1.244 20 10 EDCDHN CC[C@@H](NC[C@]1(O)CCS(=O)(=O)C1)c1ccc(N(C)C)cc1 ZINC000296575556 280190461 /nfs/dbraw/zinc/19/04/61/280190461.db2.gz TZIICOFGFFNZHY-HZPDHXFCSA-N 0 3 326.462 1.343 20 10 EDCDHN C[C@H]1CCCN1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000076114478 441600216 /nfs/dbraw/zinc/60/02/16/441600216.db2.gz XDVLZUPAUKCKDK-AWEZNQCLSA-N 0 3 335.423 1.763 20 10 EDCDHN CN(C)c1ccc(CNC(=O)CN[C@@H]2CCCC[C@H]2C(N)=O)cc1 ZINC000130659461 442352816 /nfs/dbraw/zinc/35/28/16/442352816.db2.gz YTDFNJGNUJBBSY-HZPDHXFCSA-N 0 3 332.448 1.003 20 10 EDCDHN COc1ccc(O)c([C@H](C)N[C@@H]2CCN(c3cnn(C)c3)C2=O)c1 ZINC000182391037 442762780 /nfs/dbraw/zinc/76/27/80/442762780.db2.gz VFRCJTOCMQFQBF-XHDPSFHLSA-N 0 3 330.388 1.590 20 10 EDCDHN COC(=O)c1cn(C2CCN(Cc3ccc(N(C)C)cc3)CC2)nn1 ZINC000184757774 443072934 /nfs/dbraw/zinc/07/29/34/443072934.db2.gz GMMMIPAEMQQVSJ-UHFFFAOYSA-N 0 3 343.431 1.968 20 10 EDCDHN CCN1CCC[C@H]1CN1C[C@@H](C(=O)Nc2ccc(N)cc2)CC1=O ZINC000236839618 443150151 /nfs/dbraw/zinc/15/01/51/443150151.db2.gz WCSIIVBCLHKKJP-BBRMVZONSA-N 0 3 330.432 1.540 20 10 EDCDHN O=C1NC(=O)C2(CCN(Cc3ccc(N4CCCCC4)cc3)CC2)N1 ZINC000273802484 443585767 /nfs/dbraw/zinc/58/57/67/443585767.db2.gz XGWWHONMFGQKLD-UHFFFAOYSA-N 0 3 342.443 1.851 20 10 EDCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@]2(CO)COCC3(CCC3)N2C)c1 ZINC000527956668 320530412 /nfs/dbraw/zinc/53/04/12/320530412.db2.gz QXYYDWIXTQSXAX-KXBFYZLASA-N 0 3 334.460 1.967 20 10 EDCDHN CCN(C)c1ccc([C@@H](C)NCCn2cc(C(=O)OC)nn2)cc1 ZINC000284176151 443769007 /nfs/dbraw/zinc/76/90/07/443769007.db2.gz AERRVOXRLJHWTC-CYBMUJFWSA-N 0 3 331.420 1.872 20 10 EDCDHN Cc1cccc(C[NH2+]C[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)c1[O-] ZINC000289511085 444162519 /nfs/dbraw/zinc/16/25/19/444162519.db2.gz GTOPOFWPSHRTGT-ZFWWWQNUSA-N 0 3 326.462 1.898 20 10 EDCDHN CCCOc1ccc(C[NH+]2CCC3(CC2)NC(=O)N(C)C3=O)c([O-])c1 ZINC000289519422 444163258 /nfs/dbraw/zinc/16/32/58/444163258.db2.gz VEUXXDZAXDGWQK-UHFFFAOYSA-N 0 3 347.415 1.697 20 10 EDCDHN NS(=O)(=O)c1ccc(CC[NH2+][C@@H]2CCc3cccc([O-])c32)cc1 ZINC000295982186 444197587 /nfs/dbraw/zinc/19/75/87/444197587.db2.gz NGYPSNGUHKKNIQ-OAHLLOKOSA-N 0 3 332.425 1.859 20 10 EDCDHN C[C@H]1CN(C(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@@H]1N(C)C ZINC000297887654 444348778 /nfs/dbraw/zinc/34/87/78/444348778.db2.gz QMIVOWIETNTURK-YOEHRIQHSA-N 0 3 346.475 1.120 20 10 EDCDHN CC[C@H]([NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1ccccc1[O-] ZINC000363704629 445871281 /nfs/dbraw/zinc/87/12/81/445871281.db2.gz HQYASNGZPPHQRZ-AEFFLSMTSA-N 0 3 333.476 1.839 20 10 EDCDHN COCCN(C)CCNC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000729052539 578557351 /nfs/dbraw/zinc/55/73/51/578557351.db2.gz MHQNZFVWNSPQJO-LBPRGKRZSA-N 0 3 325.409 1.339 20 10 EDCDHN COCCN(C)CCCNC(=O)NCc1cc(OC)ccc1O ZINC000734065774 578795837 /nfs/dbraw/zinc/79/58/37/578795837.db2.gz DRSZGFWIZBUTFA-UHFFFAOYSA-N 0 3 325.409 1.168 20 10 EDCDHN COc1ccc(N2CCN(C[C@@H](O)CN3CCC3(C)C)CC2)cc1 ZINC000754066928 579895386 /nfs/dbraw/zinc/89/53/86/579895386.db2.gz NBLDDAWLXRTPRN-QGZVFWFLSA-N 0 3 333.476 1.662 20 10 EDCDHN COc1ccc(N2CCN(C[C@H](O)CNCc3ccco3)CC2)cc1 ZINC000758178665 579976307 /nfs/dbraw/zinc/97/63/07/579976307.db2.gz NNIHFCLAEQRDTC-QGZVFWFLSA-N 0 3 345.443 1.561 20 10 EDCDHN COc1cc(O)c(CN2CCC(OCCCO)CC2)cc1OC ZINC000775726532 580398708 /nfs/dbraw/zinc/39/87/08/580398708.db2.gz ZNDCFCYEQKMMPG-UHFFFAOYSA-N 0 3 325.405 1.773 20 10 EDCDHN CC(=O)N1CCN(Cc2ccc(N3CCN(C)CC3)cc2)C(C)(C)C1 ZINC000780892639 580536712 /nfs/dbraw/zinc/53/67/12/580536712.db2.gz JNEFEPSRLYVKHJ-UHFFFAOYSA-N 0 3 344.503 1.881 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)NCc2cnn(C)c2)N(C)C)cc1 ZINC000892264577 590897623 /nfs/dbraw/zinc/89/76/23/590897623.db2.gz CNBXAZRSUTXOLF-KRWDZBQOSA-N 0 3 344.463 1.588 20 10 EDCDHN C[C@@H]1OCCO[C@@H]1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891242423 591013443 /nfs/dbraw/zinc/01/34/43/591013443.db2.gz GHBYRRSTYUPUCZ-XKQJLSEDSA-N 0 3 335.448 1.275 20 10 EDCDHN CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891246808 591015991 /nfs/dbraw/zinc/01/59/91/591015991.db2.gz POLIWVBZBPGCJJ-QZTJIDSGSA-N 0 3 346.475 1.482 20 10 EDCDHN COC(=O)C1(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CC1 ZINC000891248778 591018981 /nfs/dbraw/zinc/01/89/81/591018981.db2.gz NVQVIWCJDNUPQH-HNNXBMFYSA-N 0 3 333.432 1.425 20 10 EDCDHN Cc1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)ncn1 ZINC000891251074 591019503 /nfs/dbraw/zinc/01/95/03/591019503.db2.gz DAAGLVCYOLTUGO-KRWDZBQOSA-N 0 3 327.432 1.884 20 10 EDCDHN CN(C)C(=O)CCCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891253494 591020936 /nfs/dbraw/zinc/02/09/36/591020936.db2.gz SVHKCTXTCCLXMO-KRWDZBQOSA-N 0 3 348.491 1.730 20 10 EDCDHN COCc1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)no1 ZINC000891253046 591020990 /nfs/dbraw/zinc/02/09/90/591020990.db2.gz PRBITIGTZJWERO-KRWDZBQOSA-N 0 3 346.431 1.920 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CSC(=O)N2)N(C)C)cc1 ZINC000891255212 591021380 /nfs/dbraw/zinc/02/13/80/591021380.db2.gz NUHPQUDKVBPNDS-KBPBESRZSA-N 0 3 336.461 1.297 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)c2cc[n+]([O-])cc2)N(C)C)cc1 ZINC000891257115 591022449 /nfs/dbraw/zinc/02/24/49/591022449.db2.gz CPENLPCNKGTFEX-KRWDZBQOSA-N 0 3 328.416 1.419 20 10 EDCDHN CCN(C)C(=O)CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000894290893 591267925 /nfs/dbraw/zinc/26/79/25/591267925.db2.gz WHWJYVUUJXQYCC-MRXNPFEDSA-N 0 3 349.479 1.133 20 10 EDCDHN COc1cc(C)cc(CNC[C@H]2CCCCN2S(C)(=O)=O)c1O ZINC000894752077 591407430 /nfs/dbraw/zinc/40/74/30/591407430.db2.gz HAHYJPGIWHFGPN-CQSZACIVSA-N 0 3 342.461 1.613 20 10 EDCDHN CN(C)c1ccc([C@@H](CNc2ccc3nncn3n2)N(C)C)cc1 ZINC000897524848 591527185 /nfs/dbraw/zinc/52/71/85/591527185.db2.gz FPVXRAOWMOFRNF-OAHLLOKOSA-N 0 3 325.420 1.905 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)N(C)C[C@H]2C[C@@H](O)C2)N(C)C)cc1 ZINC000899098682 591688033 /nfs/dbraw/zinc/68/80/33/591688033.db2.gz QXRXOTWIJGWVNV-QGTPRVQTSA-N 0 3 348.491 1.768 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)N2CCC[C@@H](O)C2)N(C)C)cc1 ZINC000899098847 591688203 /nfs/dbraw/zinc/68/82/03/591688203.db2.gz TUXUZEAWZKMDRF-SJORKVTESA-N 0 3 334.464 1.522 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)NC[C@H](O)C2CC2)N(C)C)cc1 ZINC000899101060 591689895 /nfs/dbraw/zinc/68/98/95/591689895.db2.gz HOVZBEOTOCMBMS-SJORKVTESA-N 0 3 334.464 1.425 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)N2CCN(C)CC2)N(C)C)cc1 ZINC000899100603 591689903 /nfs/dbraw/zinc/68/99/03/591689903.db2.gz AXYPRZLQDCUVIB-QGZVFWFLSA-N 0 3 333.480 1.312 20 10 EDCDHN COc1cc(O)c(CN2CCC([C@@H]3COC(=O)N3)CC2)cc1OC ZINC000897022932 591717131 /nfs/dbraw/zinc/71/71/31/591717131.db2.gz KLRMQNOJSUGKLV-ZDUSSCGKSA-N 0 3 336.388 1.730 20 10 EDCDHN COC[C@@]1(C)NC(=O)N(C[C@H](c2ccc(N(C)C)cc2)N(C)C)C1=O ZINC000900184405 591932734 /nfs/dbraw/zinc/93/27/34/591932734.db2.gz BSWLPCUTUVVTOQ-CRAIPNDOSA-N 0 3 348.447 1.312 20 10 EDCDHN Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)NCc2ccc(O)cc2O)cn1 ZINC000910942929 592905284 /nfs/dbraw/zinc/90/52/84/592905284.db2.gz ISNRJFONBLNMOE-JKSUJKDBSA-N 0 3 344.415 1.183 20 10 EDCDHN COc1ccc(N(C)CCN(C)C(=O)C[C@@]2(O)CCCN(C)C2)cc1 ZINC000911891994 593031861 /nfs/dbraw/zinc/03/18/61/593031861.db2.gz ICODQWNOWQQGCA-IBGZPJMESA-N 0 3 349.475 1.437 20 10 EDCDHN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(C)CCN1CCCC1 ZINC000807100784 593144855 /nfs/dbraw/zinc/14/48/55/593144855.db2.gz QQTWVPQXAORVRK-UHFFFAOYSA-N 0 3 346.475 1.231 20 10 EDCDHN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(C)S(C)(=O)=O ZINC000839917010 593213522 /nfs/dbraw/zinc/21/35/22/593213522.db2.gz XYTFPJFKBHXHQO-OLZOCXBDSA-N 0 3 326.462 1.541 20 10 EDCDHN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@H]1CN2CCN1CCC2 ZINC000839919296 593213659 /nfs/dbraw/zinc/21/36/59/593213659.db2.gz GMHQRWBGYRDKBM-VQIMIIECSA-N 0 3 344.503 1.498 20 10 EDCDHN CN1CCN(c2ccc(CN3CCOC[C@H]3[C@H]3CCCO3)cc2)CC1 ZINC000809698161 593355896 /nfs/dbraw/zinc/35/58/96/593355896.db2.gz AOPBJFOAIRZPNF-VQTJNVASSA-N 0 3 345.487 1.818 20 10 EDCDHN COc1cc(O)c(CNCc2ccc3c(c2)C(=O)NCC3)cc1OC ZINC000757942303 593389649 /nfs/dbraw/zinc/38/96/49/593389649.db2.gz ZVBDKXBGQIMJIL-UHFFFAOYSA-N 0 3 342.395 1.985 20 10 EDCDHN COc1ccc(N2CCN(C[C@H](O)CN3CC(C4CC4)C3)CC2)cc1 ZINC000812312752 593495789 /nfs/dbraw/zinc/49/57/89/593495789.db2.gz FTUMBKXAFMPYIU-IBGZPJMESA-N 0 3 345.487 1.520 20 10 EDCDHN Cc1cc(O)c(CN2CCN(CCC(=O)N(C)C)CC2)cc1Cl ZINC000824883605 594090306 /nfs/dbraw/zinc/09/03/06/594090306.db2.gz MCWXABFDLXKQJX-UHFFFAOYSA-N 0 3 339.867 1.950 20 10 EDCDHN CN1CCN(c2ccc(CN3CCN([C@H]4CCOC4)CC3)cc2)CC1 ZINC000827118331 594644000 /nfs/dbraw/zinc/64/40/00/594644000.db2.gz CAQFLLSHTHHHHK-FQEVSTJZSA-N 0 3 344.503 1.345 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)[C@@H]2CSCCS2)cc1 ZINC000832265883 594738906 /nfs/dbraw/zinc/73/89/06/594738906.db2.gz AXKFAOSQITVUAI-KBPBESRZSA-N 0 3 325.503 1.717 20 10 EDCDHN Cc1ncc(Cl)c(C(=O)NC[C@H](N)c2ccc(N(C)C)cc2)n1 ZINC000832274568 594739575 /nfs/dbraw/zinc/73/95/75/594739575.db2.gz VYZLVPDQFQYRHS-AWEZNQCLSA-N 0 3 333.823 1.934 20 10 EDCDHN Cc1ccn2ncc(C(=O)NC[C@H](N)c3ccc(N(C)C)cc3)c2n1 ZINC000832280288 594739886 /nfs/dbraw/zinc/73/98/86/594739886.db2.gz ORHRDFPELLGNSG-INIZCTEOSA-N 0 3 338.415 1.534 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNC(=O)CN2CCCCCC2=O)cc1 ZINC000832282016 594740119 /nfs/dbraw/zinc/74/01/19/594740119.db2.gz XHKYAVGEDJQDKF-MRXNPFEDSA-N 0 3 332.448 1.271 20 10 EDCDHN CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccc(N)cc1 ZINC000841019467 594840452 /nfs/dbraw/zinc/84/04/52/594840452.db2.gz IHKCPKRBEPSULD-KRWDZBQOSA-N 0 3 340.427 1.496 20 10 EDCDHN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CNCCC1(F)F ZINC000841824172 594958436 /nfs/dbraw/zinc/95/84/36/594958436.db2.gz MHUIGYDWFQLKHP-CQSZACIVSA-N 0 3 326.391 1.857 20 10 EDCDHN Cc1ccc([C@@H](N)C(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)cc1 ZINC000841845802 594963999 /nfs/dbraw/zinc/96/39/99/594963999.db2.gz FBLZSSNRIMNRBN-QZTJIDSGSA-N 0 3 326.444 1.877 20 10 EDCDHN CCn1nncc1CNCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000841861930 594967360 /nfs/dbraw/zinc/96/73/60/594967360.db2.gz RAEVCCJRYSVMIY-UHFFFAOYSA-N 0 3 346.454 1.869 20 10 EDCDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)NCCc1ccc(N)cc1 ZINC000841953793 594988765 /nfs/dbraw/zinc/98/87/65/594988765.db2.gz CXQDZALGIJTDPJ-KRWDZBQOSA-N 0 3 334.464 1.564 20 10 EDCDHN COCCNCCNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000841968347 594991591 /nfs/dbraw/zinc/99/15/91/594991591.db2.gz OSWMOFNZGHDXDL-UHFFFAOYSA-N 0 3 334.464 1.663 20 10 EDCDHN C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCc1cc(Br)ccc1[O-] ZINC000841989595 594996563 /nfs/dbraw/zinc/99/65/63/594996563.db2.gz ZVRPVVUPEQZNFP-BXKDBHETSA-N 0 3 342.237 1.952 20 10 EDCDHN CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H](N)C(C)(C)C)cc2)CC1 ZINC000843499509 595132428 /nfs/dbraw/zinc/13/24/28/595132428.db2.gz IGSSDTBOVQPXHI-QGZVFWFLSA-N 0 3 346.475 1.345 20 10 EDCDHN Cc1ncccc1NC(=O)[C@H](C)NCc1cc2c(cc1O)OCO2 ZINC000835071900 595256827 /nfs/dbraw/zinc/25/68/27/595256827.db2.gz YULHDNOXXIPIIS-NSHDSACASA-N 0 3 329.356 1.941 20 10 EDCDHN COc1c([O-])c(CN2CCC(OCCC[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000843056582 595276309 /nfs/dbraw/zinc/27/63/09/595276309.db2.gz RBEPMTRUWDBNCJ-UHFFFAOYSA-N 0 3 339.392 1.639 20 10 EDCDHN COc1ccc(N(C)CCN(C)CCCCS(C)(=O)=O)cc1 ZINC000844400629 595337590 /nfs/dbraw/zinc/33/75/90/595337590.db2.gz DVHGGRQGZCOOBD-UHFFFAOYSA-N 0 3 328.478 1.888 20 10 EDCDHN COc1ccc(N2CC[C@@H](CNC(=O)CN3CC[C@@H](C)C3)C2)cc1 ZINC000848229071 595342751 /nfs/dbraw/zinc/34/27/51/595342751.db2.gz GNHXTOMXXJFUQX-CVEARBPZSA-N 0 3 331.460 1.980 20 10 EDCDHN Nc1ccc(CCNC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)cc1 ZINC000848613108 595417916 /nfs/dbraw/zinc/41/79/16/595417916.db2.gz CZYUJZARGZSZAV-SJORKVTESA-N 0 3 344.459 1.061 20 10 EDCDHN CN1CCC[C@H](CNC(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000108562920 595520140 /nfs/dbraw/zinc/52/01/40/595520140.db2.gz NFCUCYKOMAAGMP-QGZVFWFLSA-N 0 3 346.475 1.664 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNS(=O)(=O)c2cccc(N)c2)cc1 ZINC000850586649 595538435 /nfs/dbraw/zinc/53/84/35/595538435.db2.gz BCTZLNUUIGOPIS-INIZCTEOSA-N 0 3 334.445 1.313 20 10 EDCDHN COc1cc(CNC[C@H]2CC(C(N)=O)=NO2)c(O)c(C(C)(C)C)c1 ZINC000850279010 595795766 /nfs/dbraw/zinc/79/57/66/595795766.db2.gz MTNQXWYNQUCELA-GFCCVEGCSA-N 0 3 335.404 1.418 20 10 EDCDHN [O-]c1cccc2c1[C@H]([NH2+][C@@H]1CCN(c3ccc4nncn4n3)C1)CC2 ZINC000858490207 595808699 /nfs/dbraw/zinc/80/86/99/595808699.db2.gz VNGHISWVJGCGGA-ZIAGYGMSSA-N 0 3 336.399 1.686 20 10 EDCDHN CCN(CC)c1ccc(CNC[C@]2(OCCO)CCOC2)cc1F ZINC000850358597 595817695 /nfs/dbraw/zinc/81/76/95/595817695.db2.gz SJRQAELTKZYAGE-GOSISDBHSA-N 0 3 340.439 1.930 20 10 EDCDHN CN1CCC[C@@H](NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000852187451 596077431 /nfs/dbraw/zinc/07/74/31/596077431.db2.gz OLCCAUUHBDSMAZ-MRXNPFEDSA-N 0 3 346.475 1.541 20 10 EDCDHN COc1ccc(N2CCN(C[C@H](O)CN(C3CC3)C3CC3)CC2)cc1 ZINC000859626924 596151165 /nfs/dbraw/zinc/15/11/65/596151165.db2.gz HQYAWUSIQJBZLK-IBGZPJMESA-N 0 3 345.487 1.805 20 10 EDCDHN C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1c(F)ccc(O)c1[O-] ZINC000857304939 596209725 /nfs/dbraw/zinc/20/97/25/596209725.db2.gz VLEJIUVGEAAVOT-NSHDSACASA-N 0 3 327.400 1.239 20 10 EDCDHN C[C@@H](NC(=O)NCCCCN1CCN(C)CC1)c1ccccc1O ZINC000868049184 596669081 /nfs/dbraw/zinc/66/90/81/596669081.db2.gz SDWYCFMNDHAPKU-OAHLLOKOSA-N 0 3 334.464 1.780 20 10 EDCDHN CCN(CC)c1ccc(CNC[C@@]23COC(=O)N2CCOC3)cc1 ZINC000865768281 596674451 /nfs/dbraw/zinc/67/44/51/596674451.db2.gz ZEKBFAQBWRXCHF-GOSISDBHSA-N 0 3 333.432 1.844 20 10 EDCDHN COc1ccc(CN[C@@H]2CCCCNC2=O)cc1Cn1cccn1 ZINC000873010618 597159130 /nfs/dbraw/zinc/15/91/30/597159130.db2.gz NHOOCVAWPBIORM-MRXNPFEDSA-N 0 3 328.416 1.698 20 10 EDCDHN CN(Cc1ccccc1)C[C@@H](N)C(=O)NCCc1ccc(N)cc1 ZINC000876528147 597231658 /nfs/dbraw/zinc/23/16/58/597231658.db2.gz MGFDKIBEOPDYSP-GOSISDBHSA-N 0 3 326.444 1.387 20 10 EDCDHN NC(=O)CC1CCN(Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876592702 597253525 /nfs/dbraw/zinc/25/35/25/597253525.db2.gz HBKNIACAZRAOKL-UHFFFAOYSA-N 0 3 331.460 1.735 20 10 EDCDHN CCCS(=O)(=O)N1CCC([NH2+]Cc2ccc(C)cc2[O-])CC1 ZINC000876931758 597388655 /nfs/dbraw/zinc/38/86/55/597388655.db2.gz VBFDXVZJMYTRIO-UHFFFAOYSA-N 0 3 326.462 1.994 20 10 EDCDHN COc1ccc(N2CC[C@H](CNC(=O)c3c(CN)cnn3C)C2)cc1 ZINC000876931851 597389274 /nfs/dbraw/zinc/38/92/74/597389274.db2.gz XHZLJQNXQMCFBA-CYBMUJFWSA-N 0 3 343.431 1.144 20 10 EDCDHN O=C1NCCC12CCN(Cc1ccc(N3CCC(O)CC3)cc1)CC2 ZINC000877782376 597555909 /nfs/dbraw/zinc/55/59/09/597555909.db2.gz VGGBNOGUJIKOSF-UHFFFAOYSA-N 0 3 343.471 1.750 20 10 EDCDHN CN(C)c1ccc(CN2CCC[C@@H]2CNC(=O)c2cnn(C)c2)cc1 ZINC000879189597 597844660 /nfs/dbraw/zinc/84/46/60/597844660.db2.gz MZHQHTDZDXWULJ-GOSISDBHSA-N 0 3 341.459 1.881 20 10 EDCDHN C[C@H](NC(=O)N[C@H]1CCN(C)[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000914400714 695388859 /nfs/dbraw/zinc/38/88/59/695388859.db2.gz RWLCZMHGQKZSLK-DAYGRLMNSA-N 0 3 346.475 1.976 20 10 EDCDHN CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)N1CCNCC1 ZINC000923598713 696924183 /nfs/dbraw/zinc/92/41/83/696924183.db2.gz YJJFFJVLMTVANF-UHFFFAOYSA-N 0 3 340.493 1.113 20 10 EDCDHN COc1ccc(O)c(CN2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000180032847 698526471 /nfs/dbraw/zinc/52/64/71/698526471.db2.gz JPYIKQBFOHXUMU-UHFFFAOYSA-N 0 3 333.432 1.141 20 10 EDCDHN Cn1nccc1[C@H]1[C@H](NCc2ccc3c(c2)CCCO3)CC(=O)N1C ZINC000922119744 709761235 /nfs/dbraw/zinc/76/12/35/709761235.db2.gz WHGWKTRSGZSXGW-DNVCBOLYSA-N 0 3 340.427 1.807 20 10 EDCDHN COc1cccc(CN2CCN(C[C@H]3CN(C)CCO3)C[C@H]2C)c1O ZINC000372417994 250219818 /nfs/dbraw/zinc/21/98/18/250219818.db2.gz ZSHDFPLDGXZGKP-NVXWUHKLSA-N 0 3 349.475 1.238 20 10 EDCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1C[C@@H](O)C[C@@H]1CO ZINC000370400102 250205486 /nfs/dbraw/zinc/20/54/86/250205486.db2.gz NSZKRLYFJTUFMM-SJORKVTESA-N 0 3 329.396 1.899 20 10 EDCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000370400102 250205489 /nfs/dbraw/zinc/20/54/89/250205489.db2.gz NSZKRLYFJTUFMM-SJORKVTESA-N 0 3 329.396 1.899 20 10 EDCDHN O=C1NCCN1[C@@H]1CCCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000092188667 441777121 /nfs/dbraw/zinc/77/71/21/441777121.db2.gz WMHQEMNUJFRDFK-GOSISDBHSA-N 0 3 344.459 1.513 20 10 EDCDHN Oc1cc2c(cc1CN1CCCN(c3ncccn3)CC1)OCO2 ZINC000093056696 441856041 /nfs/dbraw/zinc/85/60/41/441856041.db2.gz WWJXEIPBJDKXJX-UHFFFAOYSA-N 0 3 328.372 1.623 20 10 EDCDHN CC1CCN(c2ccc(CNC(=O)C[C@H]3CNCCO3)cc2)CC1 ZINC000269264467 443258225 /nfs/dbraw/zinc/25/82/25/443258225.db2.gz OMQZCWSNZNBBTM-SFHVURJKSA-N 0 3 331.460 1.918 20 10 EDCDHN CNC(=O)NC(=O)CC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000264628421 443353922 /nfs/dbraw/zinc/35/39/22/443353922.db2.gz UENIGHZUBRGESK-CQSZACIVSA-N 0 3 335.404 1.219 20 10 EDCDHN CNC(=O)NC(=O)CC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000264628421 443353923 /nfs/dbraw/zinc/35/39/23/443353923.db2.gz UENIGHZUBRGESK-CQSZACIVSA-N 0 3 335.404 1.219 20 10 EDCDHN C[C@H]1CN(CCN(C)Cc2ccc(N3CCOCC3)cc2)CCO1 ZINC000282823403 443443234 /nfs/dbraw/zinc/44/32/34/443443234.db2.gz YTLVRRXESWEHSP-KRWDZBQOSA-N 0 3 333.476 1.676 20 10 EDCDHN COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2cccc(OC)c2[O-])C1 ZINC000271126386 443491256 /nfs/dbraw/zinc/49/12/56/443491256.db2.gz HLVRTDBSGHNXBY-ZFWWWQNUSA-N 0 3 336.432 1.764 20 10 EDCDHN COCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cc2cccc(OC)c2[O-])C1 ZINC000271126386 443491260 /nfs/dbraw/zinc/49/12/60/443491260.db2.gz HLVRTDBSGHNXBY-ZFWWWQNUSA-N 0 3 336.432 1.764 20 10 EDCDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C2CCN(CCN(C)C)CC2)c1 ZINC000273428391 443571246 /nfs/dbraw/zinc/57/12/46/443571246.db2.gz UZDIMFUKBYRYNV-AWEZNQCLSA-N 0 3 349.475 1.855 20 10 EDCDHN COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C3CC3)CC2)cc1 ZINC000279838962 443631243 /nfs/dbraw/zinc/63/12/43/443631243.db2.gz ZQVIUCYYWJOCCO-SFHVURJKSA-N 0 3 329.444 1.971 20 10 EDCDHN CNC(=O)c1ccn([C@H]2CCC[N@H+](Cc3cc(F)ccc3[O-])C2)n1 ZINC000275704998 443638711 /nfs/dbraw/zinc/63/87/11/443638711.db2.gz XWFSAGKLDNXWPD-AWEZNQCLSA-N 0 3 332.379 1.925 20 10 EDCDHN CNC(=O)c1ccn([C@H]2CCC[N@@H+](Cc3cc(F)ccc3[O-])C2)n1 ZINC000275704998 443638715 /nfs/dbraw/zinc/63/87/15/443638715.db2.gz XWFSAGKLDNXWPD-AWEZNQCLSA-N 0 3 332.379 1.925 20 10 EDCDHN CCOC(=O)[C@@](C)(O)C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000274668651 443609623 /nfs/dbraw/zinc/60/96/23/443609623.db2.gz RTPLPLXZQNXLCP-QAPCUYQASA-N 0 3 337.416 1.687 20 10 EDCDHN CCOC(=O)[C@@](C)(O)C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000274668651 443609626 /nfs/dbraw/zinc/60/96/26/443609626.db2.gz RTPLPLXZQNXLCP-QAPCUYQASA-N 0 3 337.416 1.687 20 10 EDCDHN CCOc1cccc(C[NH+]2CCC([C@H]3OCC[C@@H]3C(N)=O)CC2)c1[O-] ZINC000284544620 443779040 /nfs/dbraw/zinc/77/90/40/443779040.db2.gz MAJFVZMAZRHPDY-MAUKXSAKSA-N 0 3 348.443 1.893 20 10 EDCDHN CN(C)c1ccc(CN[C@@H]2CCC(=O)N[C@H]2c2ccnn2C)cc1F ZINC000284623778 443782427 /nfs/dbraw/zinc/78/24/27/443782427.db2.gz SULQZPSQUMMION-RDTXWAMCSA-N 0 3 345.422 1.735 20 10 EDCDHN COc1ccc([O-])c(C[NH2+]C[C@H]2CCCC[C@@H]2NS(C)(=O)=O)c1 ZINC000289222531 444080002 /nfs/dbraw/zinc/08/00/02/444080002.db2.gz COZNKFKJCSZZMY-DOMZBBRYSA-N 0 3 342.461 1.598 20 10 EDCDHN COCCOC[C@@H](O)C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000294956558 444161911 /nfs/dbraw/zinc/16/19/11/444161911.db2.gz MZYUFZIBODNZSO-DLBZAZTESA-N 0 3 339.432 1.397 20 10 EDCDHN COCCOC[C@@H](O)C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000294956558 444161913 /nfs/dbraw/zinc/16/19/13/444161913.db2.gz MZYUFZIBODNZSO-DLBZAZTESA-N 0 3 339.432 1.397 20 10 EDCDHN COc1c([O-])c(C[N@@H+]2CCCN([C@@H](C)CO)CC2)ccc1[N+](=O)[O-] ZINC000364590743 445935032 /nfs/dbraw/zinc/93/50/32/445935032.db2.gz QRXSLQMCZYDTLF-LBPRGKRZSA-N 0 3 339.392 1.198 20 10 EDCDHN COc1c([O-])c(C[N@H+]2CCCN([C@@H](C)CO)CC2)ccc1[N+](=O)[O-] ZINC000364590743 445935036 /nfs/dbraw/zinc/93/50/36/445935036.db2.gz QRXSLQMCZYDTLF-LBPRGKRZSA-N 0 3 339.392 1.198 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCCC[C@H](CO)C1)cc2=O ZINC000374053916 446349212 /nfs/dbraw/zinc/34/92/12/446349212.db2.gz ZNQKKCRLZNXSPW-LBPRGKRZSA-N 0 3 348.403 1.206 20 10 EDCDHN CN(C)CCn1cc(C(=O)N2CCOc3cc(N(C)C)ccc32)cn1 ZINC000631563923 450659772 /nfs/dbraw/zinc/65/97/72/450659772.db2.gz ZLIRDHQMYGLWAE-UHFFFAOYSA-N 0 3 343.431 1.550 20 10 EDCDHN Cn1cc(CN[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)nn1 ZINC000742371268 579450196 /nfs/dbraw/zinc/45/01/96/579450196.db2.gz MXRHZOOWSCRHAX-AWEZNQCLSA-N 0 3 335.839 1.928 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCC[C@H]1CCCO)cc2=O ZINC000735870511 578934540 /nfs/dbraw/zinc/93/45/40/578934540.db2.gz AQAUWKNLYHHHQE-ZDUSSCGKSA-N 0 3 348.403 1.349 20 10 EDCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H](Cn3ccnn3)C1)[C@H](O)CO2 ZINC000768463674 580213860 /nfs/dbraw/zinc/21/38/60/580213860.db2.gz VOPMXFJWEWZVAP-MLGOLLRUSA-N 0 3 330.388 1.322 20 10 EDCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H](Cn3ccnn3)C1)[C@H](O)CO2 ZINC000768463674 580213861 /nfs/dbraw/zinc/21/38/61/580213861.db2.gz VOPMXFJWEWZVAP-MLGOLLRUSA-N 0 3 330.388 1.322 20 10 EDCDHN CNS(=O)(=O)C[C@@H]1CCCN1Cc1cc(OC)c(C)cc1O ZINC000768463328 580213909 /nfs/dbraw/zinc/21/39/09/580213909.db2.gz GSPURSNZZIQZQM-ZDUSSCGKSA-N 0 3 328.434 1.223 20 10 EDCDHN CN(C)C(=O)CCN1CCN(Cc2cc(Cl)ccc2O)CC1 ZINC000769505845 580238648 /nfs/dbraw/zinc/23/86/48/580238648.db2.gz JCWJSKUDOUCZIR-UHFFFAOYSA-N 0 3 325.840 1.642 20 10 EDCDHN Cn1nccc1[C@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000800860652 581060125 /nfs/dbraw/zinc/06/01/25/581060125.db2.gz VQKRYSCQPWJQNO-SJCJKPOMSA-N 0 3 329.400 1.931 20 10 EDCDHN Cn1nccc1[C@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000800860652 581060126 /nfs/dbraw/zinc/06/01/26/581060126.db2.gz VQKRYSCQPWJQNO-SJCJKPOMSA-N 0 3 329.400 1.931 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)N[C@@H]2CCCN(C)C2)N(C)C)cc1 ZINC000892237913 590880793 /nfs/dbraw/zinc/88/07/93/590880793.db2.gz TYPQOSNVQIZDSU-SJLPKXTDSA-N 0 3 347.507 1.749 20 10 EDCDHN COc1nn(C)cc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891245282 591014726 /nfs/dbraw/zinc/01/47/26/591014726.db2.gz BVZKNXLNKKFBOJ-MRXNPFEDSA-N 0 3 345.447 1.527 20 10 EDCDHN Cc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)nn1 ZINC000891246207 591015855 /nfs/dbraw/zinc/01/58/55/591015855.db2.gz AEFXXQNNJFSFRI-KRWDZBQOSA-N 0 3 327.432 1.884 20 10 EDCDHN CC(=O)OC(C)(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891248409 591017087 /nfs/dbraw/zinc/01/70/87/591017087.db2.gz LJUSTOJBEFWIGW-INIZCTEOSA-N 0 3 335.448 1.813 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)c2ncccc2N)N(C)C)cc1 ZINC000891246909 591017327 /nfs/dbraw/zinc/01/73/27/591017327.db2.gz QUGNFVVGQDKBIB-MRXNPFEDSA-N 0 3 327.432 1.763 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)C[C@@H]2CCC(=O)NC2)N(C)C)cc1 ZINC000891250250 591019312 /nfs/dbraw/zinc/01/93/12/591019312.db2.gz VTUGOLPYPZYJMY-WMLDXEAASA-N 0 3 346.475 1.388 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)C2(n3cccn3)CC2)N(C)C)cc1 ZINC000891257503 591022366 /nfs/dbraw/zinc/02/23/66/591022366.db2.gz HRCFJDFTBAJXRJ-QGZVFWFLSA-N 0 3 341.459 1.857 20 10 EDCDHN Cc1nccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)n1 ZINC000891256237 591022588 /nfs/dbraw/zinc/02/25/88/591022588.db2.gz VZCNQFCXGXBNBI-QGZVFWFLSA-N 0 3 327.432 1.884 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)c2ccc(=O)[nH]n2)N(C)C)cc1 ZINC000891257861 591023133 /nfs/dbraw/zinc/02/31/33/591023133.db2.gz LCGKDEDMXCBBBB-HNNXBMFYSA-N 0 3 329.404 1.281 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)NCc2ccn(C)n2)N(C)C)cc1 ZINC000893928523 591140921 /nfs/dbraw/zinc/14/09/21/591140921.db2.gz LRJQRJFXJQEDJY-KRWDZBQOSA-N 0 3 344.463 1.588 20 10 EDCDHN COC(=O)[C@@H]1[C@H](CNCc2ccc(N3CCOCC3)cc2)C1(F)F ZINC000894199671 591224651 /nfs/dbraw/zinc/22/46/51/591224651.db2.gz BXTSDNKVRKMKQE-GJZGRUSLSA-N 0 3 340.370 1.667 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)NCCn2cccn2)N(C)C)cc1 ZINC000893018841 591256433 /nfs/dbraw/zinc/25/64/33/591256433.db2.gz NAOUQVVRKJADOM-QGZVFWFLSA-N 0 3 344.463 1.551 20 10 EDCDHN CN(C)c1ccc([C@H](CNc2ccncc2C(N)=O)N(C)C)cc1 ZINC000897525083 591528888 /nfs/dbraw/zinc/52/88/88/591528888.db2.gz JTZVBIHWIQHAML-KRWDZBQOSA-N 0 3 327.432 1.383 20 10 EDCDHN CCC[C@@H](O)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899102198 591682911 /nfs/dbraw/zinc/68/29/11/591682911.db2.gz NWLOISIHPUWJJS-SJORKVTESA-N 0 3 336.480 1.816 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)N[C@H](CO)C2CCC2)N(C)C)cc1 ZINC000899098500 591688271 /nfs/dbraw/zinc/68/82/71/591688271.db2.gz OZYDTDIQRPBPBH-QZTJIDSGSA-N 0 3 348.491 1.816 20 10 EDCDHN C[C@@H]1C[C@H](O)CN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000899099314 591688949 /nfs/dbraw/zinc/68/89/49/591688949.db2.gz YUOSPTYSVNJDNL-JLSDUUJJSA-N 0 3 348.491 1.768 20 10 EDCDHN Cn1cncc1CNCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000727466918 591724177 /nfs/dbraw/zinc/72/41/77/591724177.db2.gz LAXMFPZYRCKXTP-OAHLLOKOSA-N 0 3 327.432 1.412 20 10 EDCDHN COC[C@@H](C)NC(=S)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899723598 591920650 /nfs/dbraw/zinc/92/06/50/591920650.db2.gz BOJTZKHCDOZHBW-CJNGLKHVSA-N 0 3 338.521 1.854 20 10 EDCDHN CN(C)c1ccc([C@@H](CN2C(=O)[C@@H]3CCCN3C2=O)N(C)C)cc1 ZINC000900186047 591933145 /nfs/dbraw/zinc/93/31/45/591933145.db2.gz VHXJSZSBSRKQMQ-JKSUJKDBSA-N 0 3 330.432 1.782 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNC(=O)c2cc(C(F)F)n(C)n2)cc1 ZINC000911668554 592974415 /nfs/dbraw/zinc/97/44/15/592974415.db2.gz ZQRNMQPLQVCSOG-GFCCVEGCSA-N 0 3 337.374 1.854 20 10 EDCDHN CC[C@@H](C)N(C)CCNC(=O)C(=O)NCc1ccc(N(C)C)cc1C ZINC000804215782 593397987 /nfs/dbraw/zinc/39/79/87/593397987.db2.gz FRQGMVNUJCHUTJ-OAHLLOKOSA-N 0 3 348.491 1.524 20 10 EDCDHN CCN(CC)c1ccc(CN(C)C(=O)C(=O)N2CCCNCC2)cc1 ZINC000817991502 593654127 /nfs/dbraw/zinc/65/41/27/593654127.db2.gz XLKHZJOCLUFWOD-UHFFFAOYSA-N 0 3 346.475 1.313 20 10 EDCDHN CCN(CC)c1ccc(CN(C)C(=O)C(=O)N2CCC[C@@H]2CN)cc1 ZINC000817993010 593654619 /nfs/dbraw/zinc/65/46/19/593654619.db2.gz WCUNXROTBLHKJA-QGZVFWFLSA-N 0 3 346.475 1.441 20 10 EDCDHN COc1ccc(N2CC[C@H](CNC(=O)NC[C@@H]3CCCN3C)C2)cc1 ZINC000823247773 594175404 /nfs/dbraw/zinc/17/54/04/594175404.db2.gz KCHOABHKBGOZNJ-WBVHZDCISA-N 0 3 346.475 1.915 20 10 EDCDHN C[C@@H](NC(=O)C(C)(C)C)C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1 ZINC000832293600 594740743 /nfs/dbraw/zinc/74/07/43/594740743.db2.gz YLTOIKFFOYQINK-IUODEOHRSA-N 0 3 334.464 1.419 20 10 EDCDHN CN(C)c1ncc(CNCc2ccc(N3CCOCC3)cc2)n1C ZINC000840884662 594823652 /nfs/dbraw/zinc/82/36/52/594823652.db2.gz PCYBGLFOSACEHX-UHFFFAOYSA-N 0 3 329.448 1.613 20 10 EDCDHN C[C@@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2)[C@H](C)CN1CCO ZINC000841891112 594974591 /nfs/dbraw/zinc/97/45/91/594974591.db2.gz IUQBHYGECJJWPK-QZTJIDSGSA-N 0 3 346.519 1.325 20 10 EDCDHN CN(C)c1ccc(CN(C(=O)NC[C@@H]2CNCCO2)C2CC2)cc1 ZINC000842011276 595001762 /nfs/dbraw/zinc/00/17/62/595001762.db2.gz OCDXSUJIZGWJAO-KRWDZBQOSA-N 0 3 332.448 1.415 20 10 EDCDHN NC[C@H]1CCCCN1C(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000842215849 595041788 /nfs/dbraw/zinc/04/17/88/595041788.db2.gz XJCHWPMURDGMPG-QGZVFWFLSA-N 0 3 344.459 1.243 20 10 EDCDHN CC(C)C[C@H](CN)NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000842250043 595055471 /nfs/dbraw/zinc/05/54/71/595055471.db2.gz RSZQJEVNAIQIME-OAHLLOKOSA-N 0 3 334.464 1.201 20 10 EDCDHN CCCC[C@H](CN)NC(=O)C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000842267928 595061040 /nfs/dbraw/zinc/06/10/40/595061040.db2.gz ZTUPCLJKDISJQC-MRXNPFEDSA-N 0 3 348.491 1.735 20 10 EDCDHN COCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cccc(OC)c1[O-])CC2 ZINC000846153812 595159526 /nfs/dbraw/zinc/15/95/26/595159526.db2.gz KYPZBIFFMGCKOM-NEPJUHHUSA-N 0 3 332.404 1.804 20 10 EDCDHN Cc1cc(N2CC[C@@H]([NH2+][C@@H]3CCc4cccc([O-])c43)C2=O)n(C)n1 ZINC000834673082 595187939 /nfs/dbraw/zinc/18/79/39/595187939.db2.gz MPPMJQKUFPRAHK-ZIAGYGMSSA-N 0 3 326.400 1.817 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNS(=O)(=O)CC2CCCC2)cc1 ZINC000842784173 595197301 /nfs/dbraw/zinc/19/73/01/595197301.db2.gz HCEDDZVEKDKTAN-MRXNPFEDSA-N 0 3 325.478 1.862 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNS(=O)(=O)CC2CCOCC2)cc1 ZINC000842786303 595198325 /nfs/dbraw/zinc/19/83/25/595198325.db2.gz VXPXYQCPIJPKQK-INIZCTEOSA-N 0 3 341.477 1.098 20 10 EDCDHN CCN1C[C@@H](N[C@H](C)c2ccc(N3CCOCC3)c(F)c2)CC1=O ZINC000834889266 595237338 /nfs/dbraw/zinc/23/73/38/595237338.db2.gz HDKGVVUSVXASGW-HIFRSBDPSA-N 0 3 335.423 1.934 20 10 EDCDHN [O-]c1c(Br)cccc1CN1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000843121084 595292092 /nfs/dbraw/zinc/29/20/92/595292092.db2.gz FEZLSIHVLKPBOJ-ZDUSSCGKSA-N 0 3 340.265 1.634 20 10 EDCDHN COC(=O)[C@H]1C[NH2+]CCCN1Cc1cc(Br)ccc1[O-] ZINC000843123531 595292499 /nfs/dbraw/zinc/29/24/99/595292499.db2.gz LSZNVDJJSQBGEJ-GFCCVEGCSA-N 0 3 343.221 1.492 20 10 EDCDHN COc1ccc(N(C)CCN(C)C(=O)N[C@H](CN)C(F)(F)F)cc1 ZINC000848599400 595414850 /nfs/dbraw/zinc/41/48/50/595414850.db2.gz ZJTVDPZFAZBFBS-CYBMUJFWSA-N 0 3 348.369 1.662 20 10 EDCDHN C[C@@H]1CN(C(=[NH2+])NCc2cc(Br)ccc2[O-])CCO1 ZINC000849051769 595475784 /nfs/dbraw/zinc/47/57/84/595475784.db2.gz HXDYMHQHEXEMMP-SECBINFHSA-N 0 3 328.210 1.900 20 10 EDCDHN COCCN1CCC[C@@H]1CNC(=O)NCc1ccc(N(C)C)cc1C ZINC000115825995 595692341 /nfs/dbraw/zinc/69/23/41/595692341.db2.gz XSWMNLVICLIXCO-GOSISDBHSA-N 0 3 348.491 1.971 20 10 EDCDHN COc1cc([O-])c(C[N@@H+]2CC[C@H](CN3CCCC3=O)C2)cc1OC ZINC000853593479 595820534 /nfs/dbraw/zinc/82/05/34/595820534.db2.gz BPTUZBWRGVZFBE-ZDUSSCGKSA-N 0 3 334.416 1.854 20 10 EDCDHN COc1cc([O-])c(C[N@H+]2CC[C@H](CN3CCCC3=O)C2)cc1OC ZINC000853593479 595820538 /nfs/dbraw/zinc/82/05/38/595820538.db2.gz BPTUZBWRGVZFBE-ZDUSSCGKSA-N 0 3 334.416 1.854 20 10 EDCDHN COc1cc(O)c(CN2CC[C@H](CN3CCCC3=O)C2)cc1OC ZINC000853593479 595820542 /nfs/dbraw/zinc/82/05/42/595820542.db2.gz BPTUZBWRGVZFBE-ZDUSSCGKSA-N 0 3 334.416 1.854 20 10 EDCDHN COc1ccc(N2CC[C@@H](NC(=O)CNC[C@@H]3CCCO3)C2)cc1 ZINC000851639520 595864321 /nfs/dbraw/zinc/86/43/21/595864321.db2.gz HBFUKKYMUIDXDS-PBHICJAKSA-N 0 3 333.432 1.159 20 10 EDCDHN C[C@@H](NC[C@@H](O)CC1(O)CCC1)c1ccc(N2CCOCC2)cc1 ZINC000859230355 596011373 /nfs/dbraw/zinc/01/13/73/596011373.db2.gz VEAFOFDRBKJDHP-QAPCUYQASA-N 0 3 334.460 1.840 20 10 EDCDHN CC[C@H]([NH2+]C[C@@]12COCCN1C(=O)COC2)c1ccc(C)cc1[O-] ZINC000866553811 596248272 /nfs/dbraw/zinc/24/82/72/596248272.db2.gz OAMRKPQUUOKMFH-YJBOKZPZSA-N 0 3 334.416 1.369 20 10 EDCDHN COc1ccc(CNC[C@@H](O)c2cnn(C)c2)cc1Cn1cccn1 ZINC000873061085 597176613 /nfs/dbraw/zinc/17/66/13/597176613.db2.gz PWLYNBZPHFOLDR-QGZVFWFLSA-N 0 3 341.415 1.497 20 10 EDCDHN CC(C)C[C@@]1(C(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)CCNC1=O ZINC000876507041 597224362 /nfs/dbraw/zinc/22/43/62/597224362.db2.gz ULLKJSDDAHMBBC-APWZRJJASA-N 0 3 346.475 1.421 20 10 EDCDHN Cc1cc(N(C)C)ccc1CNCc1cccc(S(N)(=O)=O)c1 ZINC000877031953 597417605 /nfs/dbraw/zinc/41/76/05/597417605.db2.gz XVAWRYDZNDYXEH-UHFFFAOYSA-N 0 3 333.457 1.998 20 10 EDCDHN C[C@@H]([NH2+]CCC(=O)NC(=O)NCC(F)(F)F)c1ccccc1[O-] ZINC000879649622 597674112 /nfs/dbraw/zinc/67/41/12/597674112.db2.gz ZFIZGCLAFUGUAJ-SECBINFHSA-N 0 3 333.310 1.821 20 10 EDCDHN CCOC(=O)N1CCN(C(=O)C[NH2+][C@@H](C)c2ccccc2[O-])CC1 ZINC000879652734 597674607 /nfs/dbraw/zinc/67/46/07/597674607.db2.gz HPUHUUNIGKIYKA-ZDUSSCGKSA-N 0 3 335.404 1.344 20 10 EDCDHN COc1ncncc1CNCc1ccc(N2CCN(C)CC2)cc1 ZINC000883283651 597699679 /nfs/dbraw/zinc/69/96/79/597699679.db2.gz NDSNFIRPJGDELG-UHFFFAOYSA-N 0 3 327.432 1.527 20 10 EDCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCN(C)CCOCCO)c1[O-] ZINC000883352237 597723098 /nfs/dbraw/zinc/72/30/98/597723098.db2.gz XHAWDZJKQWWERZ-CYBMUJFWSA-N 0 3 330.856 1.945 20 10 EDCDHN CCNCc1ccn(Cc2cn(Cc3ccc(N(C)C)cc3)nn2)n1 ZINC000881272537 598114754 /nfs/dbraw/zinc/11/47/54/598114754.db2.gz ZEMMTHIOOUAXQB-UHFFFAOYSA-N 0 3 339.447 1.747 20 10 EDCDHN COc1ccc(O)c(CN2CCC(N3C(=O)CCCC3=O)CC2)c1 ZINC000372486291 250221710 /nfs/dbraw/zinc/22/17/10/250221710.db2.gz VTJOBBVUQJYIOE-UHFFFAOYSA-N 0 3 332.400 1.904 20 10 EDCDHN CN(C)c1ccc(CN2CCC[C@H](C(=O)N3CCOCC3)C2)cc1F ZINC000374316605 250259502 /nfs/dbraw/zinc/25/95/02/250259502.db2.gz INAWNLDAJKPKBZ-INIZCTEOSA-N 0 3 349.450 1.963 20 10 EDCDHN COc1ccc(N2CCC(N(C)CC(=O)N3CCOCC3)CC2)cc1 ZINC000072801301 441261209 /nfs/dbraw/zinc/26/12/09/441261209.db2.gz FZVBHVFDIAWCRA-UHFFFAOYSA-N 0 3 347.459 1.455 20 10 EDCDHN O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1cccc(O)c1[O-] ZINC000189911245 443027750 /nfs/dbraw/zinc/02/77/50/443027750.db2.gz IZSWWIPDZRJOLX-HUUCEWRRSA-N 0 3 334.416 1.596 20 10 EDCDHN CC(C)COC[C@H](O)CN(C)Cc1ccc(N2CCOCC2)cc1 ZINC000184829345 443083420 /nfs/dbraw/zinc/08/34/20/443083420.db2.gz PTZKSGZPYHETBX-LJQANCHMSA-N 0 3 336.476 1.989 20 10 EDCDHN CCN(CC)CC(=O)N1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000264215683 443255798 /nfs/dbraw/zinc/25/57/98/443255798.db2.gz NUGRUUICXJDGSX-UHFFFAOYSA-N 0 3 349.431 1.107 20 10 EDCDHN CN1CCC[C@H]1CNC(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000264888482 443468396 /nfs/dbraw/zinc/46/83/96/443468396.db2.gz JJGAGVSHJCBYJV-YOCVDRLZSA-N 0 3 329.444 1.747 20 10 EDCDHN CN(C)c1ccc(CN2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1F ZINC000271192638 443495114 /nfs/dbraw/zinc/49/51/14/443495114.db2.gz QWGALTBRXZAFSZ-SFHVURJKSA-N 0 3 348.466 1.630 20 10 EDCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)c([O-])c1C ZINC000273542087 443578927 /nfs/dbraw/zinc/57/89/27/443578927.db2.gz YLDILGQWASDIOG-KGLIPLIRSA-N 0 3 326.462 1.941 20 10 EDCDHN Cc1cc(CN2CCC[C@](O)(Cn3ccnn3)C2)ccc1N(C)C ZINC000293680267 444084222 /nfs/dbraw/zinc/08/42/22/444084222.db2.gz AMHDEAPFQWCSSK-GOSISDBHSA-N 0 3 329.448 1.680 20 10 EDCDHN COc1cc(Cl)cc(C[N@H+](C)[C@H]2CCN3CCO[C@H]2C3)c1[O-] ZINC000295030364 444164343 /nfs/dbraw/zinc/16/43/43/444164343.db2.gz DCQCXRUWZZDTKP-ZFWWWQNUSA-N 0 3 326.824 1.959 20 10 EDCDHN COc1cc(Cl)cc(C[N@@H+](C)[C@H]2CCN3CCO[C@H]2C3)c1[O-] ZINC000295030364 444164345 /nfs/dbraw/zinc/16/43/45/444164345.db2.gz DCQCXRUWZZDTKP-ZFWWWQNUSA-N 0 3 326.824 1.959 20 10 EDCDHN CN(C)C(=O)[C@H]1CCCN1CCC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000297972328 444372901 /nfs/dbraw/zinc/37/29/01/444372901.db2.gz ZXAOYQMQHZXHSW-JKSUJKDBSA-N 0 3 331.460 1.912 20 10 EDCDHN COc1ccc([O-])c([C@@H](C)[NH+]2CCC([C@@]3(C)NC(=O)NC3=O)CC2)c1 ZINC000364608849 445937562 /nfs/dbraw/zinc/93/75/62/445937562.db2.gz VQUVFXBUJHYLHY-ADLMAVQZSA-N 0 3 347.415 1.772 20 10 EDCDHN C[C@H]1C[C@@H](N2CCCC2)CN1c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000376206579 446380235 /nfs/dbraw/zinc/38/02/35/446380235.db2.gz ZUHWYTSRNDZAKO-NWDGAFQWSA-N 0 3 346.387 1.989 20 10 EDCDHN O=C1CC[C@H]([NH2+]Cc2cc3c(cc2[O-])OCO3)[C@@H]([C@H]2CCCO2)N1 ZINC000368080590 446627343 /nfs/dbraw/zinc/62/73/43/446627343.db2.gz FVLRRSLHVNYTFV-PPHDSNJXSA-N 0 3 334.372 1.037 20 10 EDCDHN CCOC(=O)C[C@@H]1C[C@H](OC)CN1Cc1cc2c(cc1O)OCO2 ZINC000376949300 446817049 /nfs/dbraw/zinc/81/70/49/446817049.db2.gz NVSUNQJXQWBTTQ-STQMWFEESA-N 0 3 337.372 1.663 20 10 EDCDHN CCN(CC)c1ccc(CNCCNS(=O)(=O)N(C)C)cc1 ZINC000298106622 520904726 /nfs/dbraw/zinc/90/47/26/520904726.db2.gz NVZXNUFTUHKOHM-UHFFFAOYSA-N 0 3 328.482 1.018 20 10 EDCDHN CCN1CCCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000104951148 529039928 /nfs/dbraw/zinc/03/99/28/529039928.db2.gz ZBOVVOFXANEEJB-UHFFFAOYSA-N 0 3 332.492 1.739 20 10 EDCDHN COc1cccc([O-])c1C[NH2+]C1CCN(S(=O)(=O)C(C)C)CC1 ZINC000742217986 579068667 /nfs/dbraw/zinc/06/86/67/579068667.db2.gz DPVBWASCAVJMFA-UHFFFAOYSA-N 0 3 342.461 1.693 20 10 EDCDHN COc1ccc(N2CCN(C[C@@H](O)CN3CC=CCC3)CC2)cc1 ZINC000754260633 579899780 /nfs/dbraw/zinc/89/97/80/579899780.db2.gz CDYPFQUBHYYPLI-SFHVURJKSA-N 0 3 331.460 1.440 20 10 EDCDHN COc1ccc(N2CCN(C(=O)CN[C@]3(C)CCO[C@@H]3C)CC2)cc1 ZINC000755167650 579921804 /nfs/dbraw/zinc/92/18/04/579921804.db2.gz DUOZUFVNFUVINT-DNVCBOLYSA-N 0 3 347.459 1.501 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCC[C@@H]1C(C)(C)O)cc2=O ZINC000757632994 579969341 /nfs/dbraw/zinc/96/93/41/579969341.db2.gz WESCGWDXMHMTGE-CYBMUJFWSA-N 0 3 348.403 1.347 20 10 EDCDHN CCOc1ccc(C[NH+]2CCC(C(=O)NCCCO)CC2)c([O-])c1 ZINC000768315781 580210629 /nfs/dbraw/zinc/21/06/29/580210629.db2.gz UVDVEONPZNLSNH-UHFFFAOYSA-N 0 3 336.432 1.502 20 10 EDCDHN Cn1cc(C[C@H]2CC[N@H+](Cc3cc4c(cc3[O-])OC[C@@H]4O)C2)cn1 ZINC000768465341 580214199 /nfs/dbraw/zinc/21/41/99/580214199.db2.gz HARUVFMKMSTMAW-PXAZEXFGSA-N 0 3 329.400 1.616 20 10 EDCDHN Cn1cc(C[C@H]2CC[N@@H+](Cc3cc4c(cc3[O-])OC[C@@H]4O)C2)cn1 ZINC000768465341 580214200 /nfs/dbraw/zinc/21/42/00/580214200.db2.gz HARUVFMKMSTMAW-PXAZEXFGSA-N 0 3 329.400 1.616 20 10 EDCDHN CCC(=O)N1CCCN(Cc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC000775658016 580396551 /nfs/dbraw/zinc/39/65/51/580396551.db2.gz LFAMSYXCVWNKDG-UHFFFAOYSA-N 0 3 344.503 1.883 20 10 EDCDHN COc1ccc(CNC(=O)NC[C@@]2(N(C)C)CCSC2)c(O)c1 ZINC000792983364 580833011 /nfs/dbraw/zinc/83/30/11/580833011.db2.gz QAMWAWOEBPDWBB-INIZCTEOSA-N 0 3 339.461 1.637 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@H]1CSC[C@@H]1C)cc2=O ZINC000796403356 580953189 /nfs/dbraw/zinc/95/31/89/580953189.db2.gz OTWUNWRZHJZPPW-CABZTGNLSA-N 0 3 336.417 1.453 20 10 EDCDHN CC(=O)NCC(C)(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891245265 591014975 /nfs/dbraw/zinc/01/49/75/591014975.db2.gz BPWZFOXZFOKKDD-KRWDZBQOSA-N 0 3 348.491 1.634 20 10 EDCDHN CO[C@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)[C@@H]1CCOC1 ZINC000891245211 591015024 /nfs/dbraw/zinc/01/50/24/591015024.db2.gz ADJQZXJBXBZGAC-NXHRZFHOSA-N 0 3 349.475 1.523 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)C[C@H]2CCC(=O)NC2)N(C)C)cc1 ZINC000891250246 591019627 /nfs/dbraw/zinc/01/96/27/591019627.db2.gz VTUGOLPYPZYJMY-PBHICJAKSA-N 0 3 346.475 1.388 20 10 EDCDHN CC(=O)NC(C)(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891254538 591021742 /nfs/dbraw/zinc/02/17/42/591021742.db2.gz ZHHSTODDTFLASX-INIZCTEOSA-N 0 3 334.464 1.386 20 10 EDCDHN COc1ccc(C[NH2+]CCNC(=O)c2cccs2)c([O-])c1OC ZINC000892605837 591091801 /nfs/dbraw/zinc/09/18/01/591091801.db2.gz CFSWAJTUZZVHLY-UHFFFAOYSA-N 0 3 336.413 1.991 20 10 EDCDHN C[C@@H]1NCCN(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)[C@H]1C ZINC000892939766 591231610 /nfs/dbraw/zinc/23/16/10/591231610.db2.gz OFVBPBLKYXFLRS-HOTGVXAUSA-N 0 3 345.491 1.330 20 10 EDCDHN CCOc1ccc([O-])c(C[N@@H+]2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)c1 ZINC000897610343 591585936 /nfs/dbraw/zinc/58/59/36/591585936.db2.gz QEQQONUQFNZKBC-YPMHNXCESA-N 0 3 328.434 1.147 20 10 EDCDHN CCOc1ccc([O-])c(C[N@H+]2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)c1 ZINC000897610343 591585938 /nfs/dbraw/zinc/58/59/38/591585938.db2.gz QEQQONUQFNZKBC-YPMHNXCESA-N 0 3 328.434 1.147 20 10 EDCDHN COc1cc(Cl)cc(C[N@@H+]2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)c1[O-] ZINC000897610133 591586119 /nfs/dbraw/zinc/58/61/19/591586119.db2.gz PXVINMSEIFCDKC-KOLCDFICSA-N 0 3 348.852 1.411 20 10 EDCDHN COc1cc(Cl)cc(C[N@H+]2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)c1[O-] ZINC000897610133 591586123 /nfs/dbraw/zinc/58/61/23/591586123.db2.gz PXVINMSEIFCDKC-KOLCDFICSA-N 0 3 348.852 1.411 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)NC[C@H]2CC[C@@H](O)C2)N(C)C)cc1 ZINC000899103620 591683306 /nfs/dbraw/zinc/68/33/06/591683306.db2.gz NKQOMYAMCLORTA-QGTPRVQTSA-N 0 3 348.491 1.816 20 10 EDCDHN COc1cccc([C@@H](C)NC[C@@]2(OC)CCS(=O)(=O)C2)c1O ZINC000903362477 592158541 /nfs/dbraw/zinc/15/85/41/592158541.db2.gz GHBGVKZYXZAJKQ-ABAIWWIYSA-N 0 3 329.418 1.255 20 10 EDCDHN CO[C@]1(C[NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)CCS(=O)(=O)C1 ZINC000903367131 592160542 /nfs/dbraw/zinc/16/05/42/592160542.db2.gz XSXFKDXUOUXJEK-XAGWURHQSA-N 0 3 343.420 1.873 20 10 EDCDHN COc1ccc(N2CCN(C[C@@H](O)CNC/C=C\Cl)CC2)cc1 ZINC000905708687 592618998 /nfs/dbraw/zinc/61/89/98/592618998.db2.gz RPXXBOAUMSUIGA-AKDFZNLCSA-N 0 3 339.867 1.520 20 10 EDCDHN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CC[C@@H]2CC[C@]21CN ZINC000911123795 592929375 /nfs/dbraw/zinc/92/93/75/592929375.db2.gz KBLLEKVJIPPNTB-KXBFYZLASA-N 0 3 344.459 1.017 20 10 EDCDHN COc1ccc(N2CC[C@@H](NC(=O)C[C@]3(O)CCCN(C)C3)C2)cc1 ZINC000912293223 593083498 /nfs/dbraw/zinc/08/34/98/593083498.db2.gz WHBQHKUYLLLMEY-DNVCBOLYSA-N 0 3 347.459 1.237 20 10 EDCDHN CN1CC[C@@H]2CN(C(=O)NCCCSc3nccs3)C[C@@H]21 ZINC000838514571 593184247 /nfs/dbraw/zinc/18/42/47/593184247.db2.gz RMPGOCSWCLSVGJ-NEPJUHHUSA-N 0 3 326.491 1.971 20 10 EDCDHN C[C@H](NC(=O)C(=O)N1CCC[C@H](N(C)C)C1)c1ccc(N(C)C)cc1 ZINC000807675240 593189548 /nfs/dbraw/zinc/18/95/48/593189548.db2.gz VMGHFMFPZIWKHO-YOEHRIQHSA-N 0 3 346.475 1.482 20 10 EDCDHN CC(C)N1CC[C@@H](N(C)CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000839616785 593351213 /nfs/dbraw/zinc/35/12/13/593351213.db2.gz WLRQTECCFSWUKJ-GOSISDBHSA-N 0 3 332.492 1.783 20 10 EDCDHN CC(C)N1CC[C@H](N(C)C(=O)C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000817274479 593586993 /nfs/dbraw/zinc/58/69/93/593586993.db2.gz LUEOUZKYFRFCQR-KRWDZBQOSA-N 0 3 346.475 1.310 20 10 EDCDHN C[C@H]([NH2+]CC(=O)N1CCNCC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817945719 593650951 /nfs/dbraw/zinc/65/09/51/593650951.db2.gz KHPXEHVDJJUHOX-VIFPVBQESA-N 0 3 332.231 1.781 20 10 EDCDHN C[C@H]([NH2+]CC(=O)N1CCNCC1)c1cccc(C(F)(F)F)c1[O-] ZINC000817945500 593651173 /nfs/dbraw/zinc/65/11/73/593651173.db2.gz FDGJOCZBFQYCDU-JTQLQIEISA-N 0 3 331.338 1.493 20 10 EDCDHN O=C1CN(Cc2ccccc2O)C(=O)N1[C@H]1CCN(CC2CC2)C1 ZINC000819167483 593742310 /nfs/dbraw/zinc/74/23/10/593742310.db2.gz BMFISRGHMLHINQ-HNNXBMFYSA-N 0 3 329.400 1.641 20 10 EDCDHN C[C@@H]1C[C@H](NCc2ccc(N3CCS(=O)(=O)CC3)cc2)[C@@H](C)O1 ZINC000823850461 593872512 /nfs/dbraw/zinc/87/25/12/593872512.db2.gz DMQIKUHMPVVBMR-CPUCHLNUSA-N 0 3 338.473 1.577 20 10 EDCDHN COC(=O)CC[C@@H](N)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000828988294 594543932 /nfs/dbraw/zinc/54/39/32/594543932.db2.gz PPWMOOHONNNHTC-QGZVFWFLSA-N 0 3 347.459 1.820 20 10 EDCDHN COC(=O)CC[C@H](N)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000828988293 594543939 /nfs/dbraw/zinc/54/39/39/594543939.db2.gz PPWMOOHONNNHTC-KRWDZBQOSA-N 0 3 347.459 1.820 20 10 EDCDHN C[C@H]1CN(c2ccc(CNC(=O)C3(N)CCC3)cc2F)C[C@H](C)O1 ZINC000827364562 594665082 /nfs/dbraw/zinc/66/50/82/594665082.db2.gz IJCWIBUOFQJOOB-STQMWFEESA-N 0 3 335.423 1.937 20 10 EDCDHN CC(=O)N1CCN(c2ccc(CNC(=O)[C@H](C)NC3CC3)cc2)CC1 ZINC000832173209 594732302 /nfs/dbraw/zinc/73/23/02/594732302.db2.gz NXQWPHBPQWWTHC-AWEZNQCLSA-N 0 3 344.459 1.112 20 10 EDCDHN COc1ccc(CNC(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)c(O)c1 ZINC000832178669 594732867 /nfs/dbraw/zinc/73/28/67/594732867.db2.gz VTTHLNXLDNBMMA-DHSIGJKJSA-N 0 3 334.416 1.550 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNC(=O)c2ccnc(N(C)C)c2)cc1 ZINC000832274553 594739581 /nfs/dbraw/zinc/73/95/81/594739581.db2.gz VNWNMLDOZAUMDC-MRXNPFEDSA-N 0 3 327.432 1.643 20 10 EDCDHN Cc1ccn2ncc(C(=O)NC[C@@H](N)c3ccc(N(C)C)cc3)c2n1 ZINC000832280290 594739982 /nfs/dbraw/zinc/73/99/82/594739982.db2.gz ORHRDFPELLGNSG-MRXNPFEDSA-N 0 3 338.415 1.534 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)[C@@H]2CCc3cnn(C)c3C2)cc1 ZINC000832284367 594740219 /nfs/dbraw/zinc/74/02/19/594740219.db2.gz JSGWZHBZVRAZTN-PBHICJAKSA-N 0 3 341.459 1.407 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNC(=O)[C@H]2COc3ccccc3O2)cc1 ZINC000832293585 594740805 /nfs/dbraw/zinc/74/08/05/594740805.db2.gz YEGDNYHDACVVIF-CRAIPNDOSA-N 0 3 341.411 1.709 20 10 EDCDHN CCN(CC)c1ccc(CNC(=O)C(=O)N2CCCC[C@H]2CN)cc1 ZINC000842207594 595039584 /nfs/dbraw/zinc/03/95/84/595039584.db2.gz OAEMGUXCVXAOTA-KRWDZBQOSA-N 0 3 346.475 1.489 20 10 EDCDHN COc1cccc([C@H](C)[NH2+]CCCN2CCC[C@@H]2C(=O)N(C)C)c1[O-] ZINC000846147111 595156655 /nfs/dbraw/zinc/15/66/55/595156655.db2.gz TUINKLRVJNANAX-GOEBONIOSA-N 0 3 349.475 1.994 20 10 EDCDHN COc1ccccc1S(=O)(=O)NC[C@H](N)c1ccc(N(C)C)cc1 ZINC000842784879 595197604 /nfs/dbraw/zinc/19/76/04/595197604.db2.gz BTMGJTOYVSLPIX-HNNXBMFYSA-N 0 3 349.456 1.740 20 10 EDCDHN C[C@H](NC[C@]1(C)CCC(=O)N1)c1ccc(N2CCOCC2)c(F)c1 ZINC000834909503 595237938 /nfs/dbraw/zinc/23/79/38/595237938.db2.gz SAWDCSXZPSOBSU-UGSOOPFHSA-N 0 3 335.423 1.982 20 10 EDCDHN Cc1cc(C)n([C@H](C)C(=O)NC[C@H](N)c2ccc(N(C)C)cc2)n1 ZINC000844163294 595288117 /nfs/dbraw/zinc/28/81/17/595288117.db2.gz XQSCEFNSLCBLQU-PBHICJAKSA-N 0 3 329.448 1.943 20 10 EDCDHN COc1ccc(N2CC[C@H](CNC(=O)CN3CC[C@@H](C)C3)C2)cc1 ZINC000848229075 595342873 /nfs/dbraw/zinc/34/28/73/595342873.db2.gz GNHXTOMXXJFUQX-HZPDHXFCSA-N 0 3 331.460 1.980 20 10 EDCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2CNC(=O)C2)c1[O-] ZINC000848553452 595405164 /nfs/dbraw/zinc/40/51/64/595405164.db2.gz SVHGCFGBLCPKIZ-RKDXNWHRSA-N 0 3 343.221 1.950 20 10 EDCDHN CCc1cccc(CN2CCCC[C@H]2CNS(C)(=O)=O)c1O ZINC000848882101 595462520 /nfs/dbraw/zinc/46/25/20/595462520.db2.gz XBQQYYVNKCHGFL-HNNXBMFYSA-N 0 3 326.462 1.858 20 10 EDCDHN CCc1cccc(C[NH2+][C@@H]2CCCN(S(=O)(=O)N(C)C)C2)c1[O-] ZINC000848910414 595466365 /nfs/dbraw/zinc/46/63/65/595466365.db2.gz IMPNFBLEGZGGIV-OAHLLOKOSA-N 0 3 341.477 1.315 20 10 EDCDHN NC1(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC2(CCC2)C1 ZINC000852916487 595613268 /nfs/dbraw/zinc/61/32/68/595613268.db2.gz KIWDAAUVOKUGPN-UHFFFAOYSA-N 0 3 343.471 1.926 20 10 EDCDHN CN(C)CCn1cc(C(=O)N(C)Cc2ccc(N(C)C)cc2)cn1 ZINC000864633465 596291531 /nfs/dbraw/zinc/29/15/31/596291531.db2.gz HIYKYWSBWMNXBR-UHFFFAOYSA-N 0 3 329.448 1.783 20 10 EDCDHN COC(=O)c1cnc(SCC(=O)NC2CCN(C)CC2)s1 ZINC000865369225 596553931 /nfs/dbraw/zinc/55/39/31/596553931.db2.gz NOHIINHOHOOCDE-UHFFFAOYSA-N 0 3 329.447 1.232 20 10 EDCDHN COC(=O)[C@H](C)NC(=O)[C@H](C)NCc1ccc(N2CCCCC2)cc1 ZINC000865686434 596650641 /nfs/dbraw/zinc/65/06/41/596650641.db2.gz NKDDTIGXKRNBEQ-GJZGRUSLSA-N 0 3 347.459 1.833 20 10 EDCDHN COc1ccc(CNC[C@@H](O)[C@H]2CCCO2)cc1Cn1cccn1 ZINC000873142053 597208967 /nfs/dbraw/zinc/20/89/67/597208967.db2.gz PGGZGRBQXUBSTP-SJLPKXTDSA-N 0 3 331.416 1.570 20 10 EDCDHN CC[C@H](CO)N1CCN(Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876776110 597335818 /nfs/dbraw/zinc/33/58/18/597335818.db2.gz GEWXLLRWZUPFNS-GOSISDBHSA-N 0 3 347.503 1.536 20 10 EDCDHN Cc1ccc(C[NH2+][C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c([O-])c1 ZINC000877138645 597441034 /nfs/dbraw/zinc/44/10/34/597441034.db2.gz AAOHBHYNFHIDJA-HOCLYGCPSA-N 0 3 325.430 1.527 20 10 EDCDHN COC(=O)[C@H]1C[C@@H](NCc2ccc(OC)c(Cn3cccn3)c2)C1 ZINC000877633782 597543154 /nfs/dbraw/zinc/54/31/54/597543154.db2.gz GWOUVUUXVIWXMM-FZNQNYSPSA-N 0 3 329.400 1.981 20 10 EDCDHN COc1cc(Cl)cc(CN2CCC(c3nnnn3C)CC2)c1O ZINC000877780781 597555742 /nfs/dbraw/zinc/55/57/42/597555742.db2.gz CTRDPEKDHMJQNF-UHFFFAOYSA-N 0 3 337.811 1.957 20 10 EDCDHN NC(=O)[C@@H]1CCCN(CCC[NH2+]Cc2cc(F)cc(F)c2[O-])C1 ZINC000882985061 597607031 /nfs/dbraw/zinc/60/70/31/597607031.db2.gz FMCJZXXZDXKFIG-LLVKDONJSA-N 0 3 327.375 1.347 20 10 EDCDHN CCOc1ccc(C[NH2+]CC2(O)CCC3(CC2)OCCO3)c([O-])c1 ZINC000922622521 704149419 /nfs/dbraw/zinc/14/94/19/704149419.db2.gz CMZMLBNPGJXFHZ-UHFFFAOYSA-N 0 3 337.416 1.929 20 10 EDCDHN Cn1nccc1[C@H]1[C@H](NCc2ccc3c(c2)CCO3)CCC(=O)N1C ZINC000284403685 282884639 /nfs/dbraw/zinc/88/46/39/282884639.db2.gz BKKSJQBTKKHDPJ-DNVCBOLYSA-N 0 3 340.427 1.807 20 10 EDCDHN CCOc1cccc(C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)c1[O-] ZINC000124461064 237151211 /nfs/dbraw/zinc/15/12/11/237151211.db2.gz ZURVSLRFYBXDFQ-MRXNPFEDSA-N 0 3 348.443 1.862 20 10 EDCDHN CCOc1cccc(C[N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)c1[O-] ZINC000124461064 237151218 /nfs/dbraw/zinc/15/12/18/237151218.db2.gz ZURVSLRFYBXDFQ-MRXNPFEDSA-N 0 3 348.443 1.862 20 10 EDCDHN Cc1nccn1CCCN(C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000130775448 237217654 /nfs/dbraw/zinc/21/76/54/237217654.db2.gz GEMLYFUSMFXWKC-UHFFFAOYSA-N 0 3 343.475 1.896 20 10 EDCDHN Cc1nccc(CN2CCC[C@H]([NH2+]Cc3ccccc3[O-])C2=O)n1 ZINC000371951033 250215748 /nfs/dbraw/zinc/21/57/48/250215748.db2.gz ZPJCAJTYUGWGAD-INIZCTEOSA-N 0 3 326.400 1.771 20 10 EDCDHN C[C@H](CN1CCOCC1)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000091531002 441708802 /nfs/dbraw/zinc/70/88/02/441708802.db2.gz OCUMGFPPXIYRQL-QGZVFWFLSA-N 0 3 333.476 1.676 20 10 EDCDHN COc1cc([O-])c(C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)cc1OC ZINC000160294663 441871428 /nfs/dbraw/zinc/87/14/28/441871428.db2.gz OBSHHUCQHDTDMV-AWEZNQCLSA-N 0 3 336.432 1.564 20 10 EDCDHN COc1cc([O-])c(C[N@H+]2CC[C@@H](CN3CCOCC3)C2)cc1OC ZINC000160294663 441871433 /nfs/dbraw/zinc/87/14/33/441871433.db2.gz OBSHHUCQHDTDMV-AWEZNQCLSA-N 0 3 336.432 1.564 20 10 EDCDHN C[C@H](Cn1cncn1)N[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000164220396 442192342 /nfs/dbraw/zinc/19/23/42/442192342.db2.gz WEASJEAEJFYXLY-ZIAGYGMSSA-N 0 3 333.411 1.993 20 10 EDCDHN CN(C)c1ccc(CN(C)C(=O)CN2CC[C@]3(CCOC3)C2)cc1 ZINC000153671917 442295592 /nfs/dbraw/zinc/29/55/92/442295592.db2.gz LIOBPPLYOYZQRR-IBGZPJMESA-N 0 3 331.460 1.823 20 10 EDCDHN CCN(CCO)CCNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000187238182 442662769 /nfs/dbraw/zinc/66/27/69/442662769.db2.gz IFWJBHDWTBPIKK-UHFFFAOYSA-N 0 3 326.416 1.005 20 10 EDCDHN CCN(CC)c1ccc(CN2CCC[C@]3(C2)NC(=O)NC3=O)cc1 ZINC000193468815 442745872 /nfs/dbraw/zinc/74/58/72/442745872.db2.gz JMVWQFYYZWBOQM-GOSISDBHSA-N 0 3 330.432 1.707 20 10 EDCDHN C[C@H]([NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1)c1ccccc1[O-] ZINC000183600989 442945377 /nfs/dbraw/zinc/94/53/77/442945377.db2.gz LKSPQFATVFTUKX-KBPBESRZSA-N 0 3 342.461 1.531 20 10 EDCDHN C[C@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1ccccc1[O-] ZINC000183626965 442947474 /nfs/dbraw/zinc/94/74/74/442947474.db2.gz NAGLTYWZNHWWDS-RYUDHWBXSA-N 0 3 341.454 1.939 20 10 EDCDHN CCOc1cccc(C[N@H+]2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)c1[O-] ZINC000278569139 443363818 /nfs/dbraw/zinc/36/38/18/443363818.db2.gz BUQBYAIEDYMEJR-HOTGVXAUSA-N 0 3 331.416 1.732 20 10 EDCDHN CCOc1cccc(C[N@@H+]2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)c1[O-] ZINC000278569139 443363820 /nfs/dbraw/zinc/36/38/20/443363820.db2.gz BUQBYAIEDYMEJR-HOTGVXAUSA-N 0 3 331.416 1.732 20 10 EDCDHN CCOc1ccc(O)c(CN2C[C@H](CO)C[C@H](OCCOC)C2)c1 ZINC000278806243 443447129 /nfs/dbraw/zinc/44/71/29/443447129.db2.gz YFFKURFEBKGYKD-PBHICJAKSA-N 0 3 339.432 1.637 20 10 EDCDHN [O-]c1cc2c(cc1C[NH2+][C@H](CO)C[C@H](O)c1ccccc1)OCO2 ZINC000269887411 443455053 /nfs/dbraw/zinc/45/50/53/443455053.db2.gz BLMLATOGUYIXLB-GJZGRUSLSA-N 0 3 331.368 1.695 20 10 EDCDHN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H](C)CCN2CCN(C)CC2)c1 ZINC000274613149 443607982 /nfs/dbraw/zinc/60/79/82/443607982.db2.gz KOJSKBWHZUCORN-HUUCEWRRSA-N 0 3 349.475 1.855 20 10 EDCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCn3ncc(C(N)=O)c3C2)c([O-])c1 ZINC000280907053 443771783 /nfs/dbraw/zinc/77/17/83/443771783.db2.gz GEFCOLDGERVJFB-CHWSQXEVSA-N 0 3 328.416 1.909 20 10 EDCDHN Cc1cc(O)c(CN2CCC[C@@H](S(=O)(=O)N(C)C)C2)cc1C ZINC000284999898 443815662 /nfs/dbraw/zinc/81/56/62/443815662.db2.gz GDWCSCPUAMNOGN-OAHLLOKOSA-N 0 3 326.462 1.865 20 10 EDCDHN CCOCc1cc(CN[C@H](CC)CNS(C)(=O)=O)ccc1OC ZINC000294963078 444161731 /nfs/dbraw/zinc/16/17/31/444161731.db2.gz FCVOLNFNMIACIY-OAHLLOKOSA-N 0 3 344.477 1.649 20 10 EDCDHN CCN(CC)CCNC(=O)C(=O)NCc1c(C)c2ccccc2n1C ZINC000339577045 445151037 /nfs/dbraw/zinc/15/10/37/445151037.db2.gz CKUMXHQESMZQKV-UHFFFAOYSA-N 0 3 344.459 1.561 20 10 EDCDHN CN(C)c1ccc(CN2CC[C@@H](N(C)Cc3nccc(N)n3)C2)cc1 ZINC000369510235 446127196 /nfs/dbraw/zinc/12/71/96/446127196.db2.gz PBLXUPRLYURCEJ-QGZVFWFLSA-N 0 3 340.475 1.831 20 10 EDCDHN CC[C@@H]1C[N@H+](Cc2cc3c(cc2[O-])OCO3)C[C@H]1N1CCOCC1 ZINC000367479944 446552676 /nfs/dbraw/zinc/55/26/76/446552676.db2.gz ZVQZNPVTDZBEEB-UKRRQHHQSA-N 0 3 334.416 1.664 20 10 EDCDHN CC[C@@H]1C[N@@H+](Cc2cc3c(cc2[O-])OCO3)C[C@H]1N1CCOCC1 ZINC000367479944 446552681 /nfs/dbraw/zinc/55/26/81/446552681.db2.gz ZVQZNPVTDZBEEB-UKRRQHHQSA-N 0 3 334.416 1.664 20 10 EDCDHN CCN(CC)c1ccc(CN2CCC(S(N)(=O)=O)CC2)cc1 ZINC000377033400 446873919 /nfs/dbraw/zinc/87/39/19/446873919.db2.gz WKGXTUROSZBMQZ-UHFFFAOYSA-N 0 3 325.478 1.786 20 10 EDCDHN CCN1CCN(CCC(=O)NCc2c(O)ccc3c2CCCC3)CC1 ZINC000174516585 529141774 /nfs/dbraw/zinc/14/17/74/529141774.db2.gz GKTCLMPOVCQCPZ-UHFFFAOYSA-N 0 3 345.487 1.915 20 10 EDCDHN O=S1(=O)CCN(c2ccc(C[NH2+]Cc3ccccc3[O-])cc2)CC1 ZINC000733331093 578759940 /nfs/dbraw/zinc/75/99/40/578759940.db2.gz ZWFBQERYFFXOES-UHFFFAOYSA-N 0 3 346.452 1.917 20 10 EDCDHN CCS(=O)(=O)N1CCC(C[NH2+]Cc2cccc(OC)c2[O-])CC1 ZINC000758053310 579974893 /nfs/dbraw/zinc/97/48/93/579974893.db2.gz CQETWOHSKFZIGO-UHFFFAOYSA-N 0 3 342.461 1.552 20 10 EDCDHN CCC[N@H+](Cc1ccccc1[O-])CC1(O)CCS(=O)(=O)CC1 ZINC000767412642 580189009 /nfs/dbraw/zinc/18/90/09/580189009.db2.gz VNGCFTCKBSLMOA-UHFFFAOYSA-N 0 3 327.446 1.544 20 10 EDCDHN CCC[N@@H+](Cc1ccccc1[O-])CC1(O)CCS(=O)(=O)CC1 ZINC000767412642 580189010 /nfs/dbraw/zinc/18/90/10/580189010.db2.gz VNGCFTCKBSLMOA-UHFFFAOYSA-N 0 3 327.446 1.544 20 10 EDCDHN C[C@H](Cn1cccn1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000769518324 580238962 /nfs/dbraw/zinc/23/89/62/580238962.db2.gz WTMDMJFZIXENQL-OAHLLOKOSA-N 0 3 348.472 1.296 20 10 EDCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCCN2C(=O)NC(C)(C)C2=O)c1 ZINC000775372699 580389546 /nfs/dbraw/zinc/38/95/46/580389546.db2.gz GIFXNTUSNVREPU-NSHDSACASA-N 0 3 335.404 1.772 20 10 EDCDHN C[C@H]1CCN(Cc2ccc(N3CCN(C)CC3)cc2)[C@@H](C(N)=O)C1 ZINC000779200522 580480972 /nfs/dbraw/zinc/48/09/72/580480972.db2.gz IDXPSZVPJVGZAK-MAUKXSAKSA-N 0 3 330.476 1.524 20 10 EDCDHN COc1ccc(C[NH2+]Cc2cnc(N3CCOCC3)s2)c([O-])c1 ZINC000785588926 580647818 /nfs/dbraw/zinc/64/78/18/580647818.db2.gz ZLBLXMXACFKCAW-UHFFFAOYSA-N 0 3 335.429 1.984 20 10 EDCDHN COc1ccc(CN2CCN([C@@H]3CCC[C@H]3O)CC2)c(O)c1OC ZINC000891925030 590691744 /nfs/dbraw/zinc/69/17/44/590691744.db2.gz QSIWPTKRAHBRSZ-HUUCEWRRSA-N 0 3 336.432 1.440 20 10 EDCDHN CC(=O)OC[C@H](C)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000893327455 590781672 /nfs/dbraw/zinc/78/16/72/590781672.db2.gz BYGWOKQNJGSQSD-XJKSGUPXSA-N 0 3 333.432 1.430 20 10 EDCDHN COCCOC[C@H](C)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000893329474 590783073 /nfs/dbraw/zinc/78/30/73/590783073.db2.gz READQDLJISBEML-DOTOQJQBSA-N 0 3 349.475 1.529 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)c2cc3n(n2)CCO3)N(C)C)cc1 ZINC000891247039 591016473 /nfs/dbraw/zinc/01/64/73/591016473.db2.gz GXTSTAMNVYUNDA-INIZCTEOSA-N 0 3 343.431 1.374 20 10 EDCDHN C[C@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)[C@H]1CCC(=O)N1 ZINC000891248430 591017502 /nfs/dbraw/zinc/01/75/02/591017502.db2.gz MMZBJHUKTAULDW-XKQJLSEDSA-N 0 3 346.475 1.386 20 10 EDCDHN Cc1nnc(CC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)[nH]1 ZINC000891249848 591018663 /nfs/dbraw/zinc/01/86/63/591018663.db2.gz UDINDKJZCIDETD-OAHLLOKOSA-N 0 3 330.436 1.141 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)c2ccc(C(N)=O)o2)N(C)C)cc1 ZINC000891250658 591019019 /nfs/dbraw/zinc/01/90/19/591019019.db2.gz BNUUXIUNPZEFTC-AWEZNQCLSA-N 0 3 344.415 1.477 20 10 EDCDHN Cc1cnc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cn1 ZINC000891258574 591023152 /nfs/dbraw/zinc/02/31/52/591023152.db2.gz UVIIPLOJCLKWSR-KRWDZBQOSA-N 0 3 327.432 1.884 20 10 EDCDHN COc1ccc(CNC[C@@H](n2cncn2)C(F)(F)F)c(O)c1OC ZINC000895741982 591262729 /nfs/dbraw/zinc/26/27/29/591262729.db2.gz MFZRDGBRKZOFQR-LLVKDONJSA-N 0 3 346.309 1.894 20 10 EDCDHN O=C1NCC2(CCOCC2)[C@H]1NCc1ccc(N2CCCC2)cc1 ZINC000895772509 591270099 /nfs/dbraw/zinc/27/00/99/591270099.db2.gz GFURYWSYHAMHBZ-KRWDZBQOSA-N 0 3 329.444 1.672 20 10 EDCDHN CC1(C)COC[C@H]1NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000894384089 591297183 /nfs/dbraw/zinc/29/71/83/591297183.db2.gz CWUPUUXAGPQBAH-DOTOQJQBSA-N 0 3 331.460 1.903 20 10 EDCDHN CN(C)c1ccc([C@@H](CNc2ccc(C(N)=O)nn2)N(C)C)cc1 ZINC000897525055 591528956 /nfs/dbraw/zinc/52/89/56/591528956.db2.gz ILEATUCBBNHLGD-OAHLLOKOSA-N 0 3 328.420 1.356 20 10 EDCDHN C[C@H]1CN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CCO1 ZINC000899104560 591684187 /nfs/dbraw/zinc/68/41/87/591684187.db2.gz RKCIVIGGDGWWAW-YOEHRIQHSA-N 0 3 334.464 1.786 20 10 EDCDHN C[C@@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C1(CO)CC1 ZINC000899098446 591688082 /nfs/dbraw/zinc/68/80/82/591688082.db2.gz OMXVXJWVNQSANX-PBHICJAKSA-N 0 3 348.491 1.816 20 10 EDCDHN COc1cc(O)c(CN2CCC([C@H]3COC(=O)N3)CC2)cc1OC ZINC000897022931 591717300 /nfs/dbraw/zinc/71/73/00/591717300.db2.gz KLRMQNOJSUGKLV-CYBMUJFWSA-N 0 3 336.388 1.730 20 10 EDCDHN COc1cc([O-])c(C[NH2+]C[C@]2(c3cnn(C)c3)CCCO2)cc1OC ZINC000898056707 591768642 /nfs/dbraw/zinc/76/86/42/591768642.db2.gz MIRTZUGVYCTLCV-SFHVURJKSA-N 0 3 347.415 1.938 20 10 EDCDHN CCc1cccc(CNC[C@]2(C(=O)OC)C[C@@H]2S(C)(=O)=O)c1O ZINC000895510036 591785308 /nfs/dbraw/zinc/78/53/08/591785308.db2.gz GCMLVBOABUMNLX-XJKSGUPXSA-N 0 3 341.429 1.021 20 10 EDCDHN CCOC(=O)N1C[C@@H](CO)[C@H](NCc2ccc(N(C)C)cc2C)C1 ZINC000898350913 591883742 /nfs/dbraw/zinc/88/37/42/591883742.db2.gz NCYHBYOOGRQCKY-DOTOQJQBSA-N 0 3 335.448 1.600 20 10 EDCDHN CN(C)c1ccc([C@@H](CN2C(=O)[C@H]3CSCN3C2=O)N(C)C)cc1 ZINC000900185331 591932629 /nfs/dbraw/zinc/93/26/29/591932629.db2.gz KERBFHYXPUFQEJ-HUUCEWRRSA-N 0 3 348.472 1.692 20 10 EDCDHN COCCN1CC(=O)N(C[C@H](c2ccc(N(C)C)cc2)N(C)C)C1=O ZINC000900185346 591932674 /nfs/dbraw/zinc/93/26/74/591932674.db2.gz KLYFZFKAWZSFFA-MRXNPFEDSA-N 0 3 348.447 1.266 20 10 EDCDHN CN(C)CCn1nccc1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000900433582 592016955 /nfs/dbraw/zinc/01/69/55/592016955.db2.gz FOSHXUHCFHEAHS-UHFFFAOYSA-N 0 3 333.411 1.580 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)C(=O)OC(C)(C)C)N(C)C)cc1 ZINC000903046148 592113347 /nfs/dbraw/zinc/11/33/47/592113347.db2.gz PQKJKSUFGLHUBY-HNNXBMFYSA-N 0 3 335.448 1.813 20 10 EDCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@]2(CO)COCCN2C)c1[O-] ZINC000903281292 592151651 /nfs/dbraw/zinc/15/16/51/592151651.db2.gz XLMGIZUYAVIJMP-LRDDRELGSA-N 0 3 328.840 1.698 20 10 EDCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@]2(CO)COCCN2C)c1[O-] ZINC000903281295 592151761 /nfs/dbraw/zinc/15/17/61/592151761.db2.gz XLMGIZUYAVIJMP-WBMJQRKESA-N 0 3 328.840 1.698 20 10 EDCDHN O=C(NCc1cc(Br)ccc1[O-])C12CC[NH+](CC1)C2 ZINC000908170716 592358933 /nfs/dbraw/zinc/35/89/33/592358933.db2.gz SPHLYNFBBWILQU-UHFFFAOYSA-N 0 3 325.206 1.867 20 10 EDCDHN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCC1(N(C)C)CCC1 ZINC000807025697 593135651 /nfs/dbraw/zinc/13/56/51/593135651.db2.gz XTNCEMVFDNSAHA-UHFFFAOYSA-N 0 3 346.475 1.278 20 10 EDCDHN CC(C)N(CCN1C(=O)N[C@@H](C)C1=O)Cc1ccc(N(C)C)cc1 ZINC000838793178 593212597 /nfs/dbraw/zinc/21/25/97/593212597.db2.gz IJOQFQAVGXFMHD-AWEZNQCLSA-N 0 3 332.448 1.903 20 10 EDCDHN COC1([C@@H](C)NCC(=O)NCc2ccc(N(C)C)cc2)CCOCC1 ZINC000817297841 593590481 /nfs/dbraw/zinc/59/04/81/593590481.db2.gz WBCIBFXXWJYMHT-OAHLLOKOSA-N 0 3 349.475 1.543 20 10 EDCDHN CN(C)c1ccc(CN(C)C(=O)C(=O)N2CCCC[C@@H]2CN)cc1 ZINC000817989855 593654113 /nfs/dbraw/zinc/65/41/13/593654113.db2.gz RXSHMAWOIHTZBE-MRXNPFEDSA-N 0 3 332.448 1.051 20 10 EDCDHN Cc1cc(NC(=O)CCNCc2ccc(N3CCOCC3)cc2)no1 ZINC000818973191 593731388 /nfs/dbraw/zinc/73/13/88/593731388.db2.gz NIQIVYBZBARGPT-UHFFFAOYSA-N 0 3 344.415 1.938 20 10 EDCDHN CS[C@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1N(C)C ZINC000821353821 594025948 /nfs/dbraw/zinc/02/59/48/594025948.db2.gz BASPSRJMJBGWCX-OLZOCXBDSA-N 0 3 335.433 1.967 20 10 EDCDHN COc1cc(Cl)cc(C[NH2+]C[C@H]2CCCN2CCCO)c1[O-] ZINC000824564359 594039135 /nfs/dbraw/zinc/03/91/35/594039135.db2.gz KDTLQHAZYFZQHK-CQSZACIVSA-N 0 3 328.840 1.991 20 10 EDCDHN COc1cc(O)c(CN[C@@H]2CC[C@H](C)S(=O)(=O)C2)cc1OC ZINC000827173143 594650439 /nfs/dbraw/zinc/65/04/39/594650439.db2.gz VSBMBZZXNCCZNL-CMPLNLGQSA-N 0 3 329.418 1.465 20 10 EDCDHN Cc1ccn(CC(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)c(=O)c1 ZINC000832286023 594740392 /nfs/dbraw/zinc/74/03/92/594740392.db2.gz VNBHINRKWMQDAG-MRXNPFEDSA-N 0 3 328.416 1.039 20 10 EDCDHN CCS(=O)(=O)NC1CCN(Cc2ccc(N(C)C)cc2C)CC1 ZINC000840946215 594831227 /nfs/dbraw/zinc/83/12/27/594831227.db2.gz JVGZNHLQALTWBY-UHFFFAOYSA-N 0 3 339.505 1.965 20 10 EDCDHN COc1ccccc1[C@@H](N)C(=O)NC[C@H](N)c1ccc(N(C)C)cc1 ZINC000841846256 594963974 /nfs/dbraw/zinc/96/39/74/594963974.db2.gz NMTNTFVNWCJDBY-FUHWJXTLSA-N 0 3 342.443 1.577 20 10 EDCDHN C[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)[C@@H](C)CN1CCO ZINC000841892264 594975560 /nfs/dbraw/zinc/97/55/60/594975560.db2.gz WAFZTDDVVJJSLS-IRXDYDNUSA-N 0 3 333.476 1.410 20 10 EDCDHN [NH3+]C[C@H](NC(=O)NCc1cc(Br)ccc1[O-])C1CC1 ZINC000841946296 594987058 /nfs/dbraw/zinc/98/70/58/594987058.db2.gz IWBRTJGXEZMPCY-NSHDSACASA-N 0 3 328.210 1.691 20 10 EDCDHN COc1cccc([C@@H](C)N[C@@H]2CCN(c3cnn(C)c3)C2=O)c1O ZINC000846151806 595158291 /nfs/dbraw/zinc/15/82/91/595158291.db2.gz HOUGCKFRCNZRCK-BXUZGUMPSA-N 0 3 330.388 1.590 20 10 EDCDHN O=C1[C@@H](NCc2ccc(N3CCOCC3)cc2)C[C@@H]2CCCCN12 ZINC000835074155 595257454 /nfs/dbraw/zinc/25/74/54/595257454.db2.gz QMTGKHXBYCYJMU-ROUUACIJSA-N 0 3 329.444 1.766 20 10 EDCDHN COc1ccc(N2CCN(C(=O)[C@H]3C[C@H](C)CCN3)CC2)cc1F ZINC000844190769 595297801 /nfs/dbraw/zinc/29/78/01/595297801.db2.gz NUXMWYGFCOUKHL-CZUORRHYSA-N 0 3 335.423 1.871 20 10 EDCDHN COc1cc(Br)cc([C@H](C)[NH2+]CC2(CO)COC2)c1[O-] ZINC000848535885 595403759 /nfs/dbraw/zinc/40/37/59/595403759.db2.gz LOYDWKLKENHZDE-VIFPVBQESA-N 0 3 346.221 1.823 20 10 EDCDHN CO[C@@](C)(CO)CN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000848557590 595405013 /nfs/dbraw/zinc/40/50/13/595405013.db2.gz GEBYHRCFVJRVGF-SUMWQHHRSA-N 0 3 326.412 1.710 20 10 EDCDHN NC[C@H](NC(=O)NCc1c(O)ccc2c1CCCC2)C(F)(F)F ZINC000848596435 595413898 /nfs/dbraw/zinc/41/38/98/595413898.db2.gz WSAOCSQMCAKCKD-ZDUSSCGKSA-N 0 3 331.338 1.960 20 10 EDCDHN CCc1cccc(C[N@@H+]2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)c1[O-] ZINC000848910250 595466462 /nfs/dbraw/zinc/46/64/62/595466462.db2.gz GVDPMNDKYCTALA-KSSFIOAISA-N 0 3 331.416 1.907 20 10 EDCDHN CCc1cccc(C[N@H+]2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)c1[O-] ZINC000848910250 595466463 /nfs/dbraw/zinc/46/64/63/595466463.db2.gz GVDPMNDKYCTALA-KSSFIOAISA-N 0 3 331.416 1.907 20 10 EDCDHN C[C@H](Cn1cncn1)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000850426820 595831916 /nfs/dbraw/zinc/83/19/16/595831916.db2.gz FQIZTYRXWVCMDP-CYBMUJFWSA-N 0 3 333.411 1.557 20 10 EDCDHN CCOC(=O)[C@H]1NCC[C@@H]1NCc1ccc(N2CCC(O)CC2)cc1 ZINC000854230465 596008966 /nfs/dbraw/zinc/00/89/66/596008966.db2.gz QUNMMVDPUHLNPB-ROUUACIJSA-N 0 3 347.459 1.031 20 10 EDCDHN C[C@@H]1CCCN(CC(=O)NCc2ccc(N(C)C)cc2)[C@@H]1CCO ZINC000852456847 596170546 /nfs/dbraw/zinc/17/05/46/596170546.db2.gz LXKFJDMBNFZDGC-CRAIPNDOSA-N 0 3 333.476 1.852 20 10 EDCDHN Cc1ccc([C@H](C)[NH2+]C[C@@]23COCCN2C(=O)COC3)c([O-])c1C ZINC000866551836 596246750 /nfs/dbraw/zinc/24/67/50/596246750.db2.gz CRSDPLUSPKYHBD-KSSFIOAISA-N 0 3 334.416 1.287 20 10 EDCDHN CNS(=O)(=O)C[C@@H]1CCCN(Cc2ccc(N(C)C)cc2C)C1 ZINC000862550597 596344485 /nfs/dbraw/zinc/34/44/85/596344485.db2.gz FSNLNJSSLZYLFY-OAHLLOKOSA-N 0 3 339.505 1.822 20 10 EDCDHN C[C@@H]1CCn2cc(C(=O)NC[C@H](N)c3ccc(N(C)C)cc3)nc2C1 ZINC000870932454 596410488 /nfs/dbraw/zinc/41/04/88/596410488.db2.gz FQYDBOVNKROFNP-CJNGLKHVSA-N 0 3 341.459 1.961 20 10 EDCDHN O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000872255564 596856481 /nfs/dbraw/zinc/85/64/81/596856481.db2.gz ZFWJLHLGRAJNKF-GUTXKFCHSA-N 0 3 337.807 1.413 20 10 EDCDHN CC(C)c1nccn1CC(=O)NC[C@@H](N)c1ccc(N(C)C)cc1 ZINC000876506157 597224560 /nfs/dbraw/zinc/22/45/60/597224560.db2.gz GHTCTZDGJONEMR-MRXNPFEDSA-N 0 3 329.448 1.889 20 10 EDCDHN Cc1cccc([O-])c1C[NH2+][C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000877138625 597440966 /nfs/dbraw/zinc/44/09/66/597440966.db2.gz PGKZXXLJLVBONA-XJKSGUPXSA-N 0 3 325.430 1.527 20 10 EDCDHN Cc1ccc(C[NH2+]C[C@@H]2CCCC[C@H]2NS(C)(=O)=O)c([O-])c1 ZINC000877517759 597529537 /nfs/dbraw/zinc/52/95/37/597529537.db2.gz PGWFJJRUCRHXPB-DZGCQCFKSA-N 0 3 326.462 1.898 20 10 EDCDHN COC(=O)C1CCN(C(=O)[C@@H](C)[NH2+][C@H](C)c2ccccc2[O-])CC1 ZINC000879648286 597673750 /nfs/dbraw/zinc/67/37/50/597673750.db2.gz IOVRCRKJIZAOAG-CHWSQXEVSA-N 0 3 334.416 1.843 20 10 EDCDHN CN(CCn1cc([N+](=O)[O-])cn1)Cc1ccc(N2CCOCC2)cc1 ZINC000174812349 695978086 /nfs/dbraw/zinc/97/80/86/695978086.db2.gz LOAQIZOIENHAQR-UHFFFAOYSA-N 0 3 345.403 1.760 20 10 EDCDHN CO[C@@]1(CNCc2ccc(N(C)C)c(F)c2)CCS(=O)(=O)C1 ZINC000922616812 704142488 /nfs/dbraw/zinc/14/24/88/704142488.db2.gz TXEZCSHTSDTKIO-OAHLLOKOSA-N 0 3 330.425 1.185 20 10 EDCDHN CC[C@H](CN1CC(CNC(=O)c2ccc(N=NC(N)=O)cc2)C1)OC ZINC001032218788 704616336 /nfs/dbraw/zinc/61/63/36/704616336.db2.gz DJCIIAFQGUDBRZ-OAHLLOKOSA-N 0 3 347.419 1.936 20 10 EDCDHN Cn1ccnc1[C@@H](O)[C@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000092012076 237013951 /nfs/dbraw/zinc/01/39/51/237013951.db2.gz JEPJVOQQZDXCJK-SJCJKPOMSA-N 0 3 345.399 1.800 20 10 EDCDHN Cn1ccnc1[C@@H](O)[C@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000092012076 237013959 /nfs/dbraw/zinc/01/39/59/237013959.db2.gz JEPJVOQQZDXCJK-SJCJKPOMSA-N 0 3 345.399 1.800 20 10 EDCDHN Cn1ccnc1[C@@H](O)[C@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000092012076 237013962 /nfs/dbraw/zinc/01/39/62/237013962.db2.gz JEPJVOQQZDXCJK-SJCJKPOMSA-N 0 3 345.399 1.800 20 10 EDCDHN CN(C)[C@H]1CCN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)C1 ZINC000108807047 237102641 /nfs/dbraw/zinc/10/26/41/237102641.db2.gz YNCUJGQUUOLIGV-MOTZXUDYSA-N 0 3 329.444 1.699 20 10 EDCDHN COC[C@H](CCO)N[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000269005003 249376749 /nfs/dbraw/zinc/37/67/49/249376749.db2.gz KYFSGGHBAQYMPR-HIFRSBDPSA-N 0 3 326.412 1.710 20 10 EDCDHN CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000269231979 249378570 /nfs/dbraw/zinc/37/85/70/249378570.db2.gz INFSOXAYRKKZKG-VXGBXAGGSA-N 0 3 343.221 1.226 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN(C)C[C@H]1CCC[C@H]1O)cc2=O ZINC000270064661 249382403 /nfs/dbraw/zinc/38/24/03/249382403.db2.gz HGJZRWASWJOBHI-BXUZGUMPSA-N 0 3 348.403 1.204 20 10 EDCDHN CN(C)c1ccc(CNC(=O)CN[C@H]2CCC(=O)N[C@H]2C2CC2)cc1 ZINC000375300575 250280791 /nfs/dbraw/zinc/28/07/91/250280791.db2.gz BRHJDGWCWYDWFN-LPHOPBHVSA-N 0 3 344.459 1.016 20 10 EDCDHN O[C@H]1CCC[C@H]1N1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000378351626 447420342 /nfs/dbraw/zinc/42/03/42/447420342.db2.gz WYXVGLZZGFVXQD-UXHICEINSA-N 0 3 345.487 1.554 20 10 EDCDHN COc1ccc(N2CCCN(C(=O)C(C)S(C)(=O)=O)CC2)cc1 ZINC000055878466 441672074 /nfs/dbraw/zinc/67/20/74/441672074.db2.gz QBRCXNSMOLUKQT-CYBMUJFWSA-N 0 3 340.445 1.167 20 10 EDCDHN C[C@@H](CNC(=O)NCc1ccc(N(C)C)cc1)CN1CCN(C)CC1 ZINC000079602565 442068242 /nfs/dbraw/zinc/06/82/42/442068242.db2.gz AABMDZKDUGJKSU-INIZCTEOSA-N 0 3 347.507 1.435 20 10 EDCDHN Cc1cc(C(=O)NC[C@@](C)(O)CN(C)C)c(C)n1-c1ccccn1 ZINC000152901186 442249768 /nfs/dbraw/zinc/24/97/68/442249768.db2.gz RELZTIIYCAASNE-GOSISDBHSA-N 0 3 330.432 1.532 20 10 EDCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CC(=O)N(CCN3CCOCC3)C2)c([O-])c1 ZINC000186064043 443305067 /nfs/dbraw/zinc/30/50/67/443305067.db2.gz RIPFZFTZAMUXCN-HOTGVXAUSA-N 0 3 347.459 1.284 20 10 EDCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H]2CC(=O)N(CCN3CCOCC3)C2)c1 ZINC000186063525 443305368 /nfs/dbraw/zinc/30/53/68/443305368.db2.gz MFJYQTFVUSEQGZ-HOTGVXAUSA-N 0 3 347.459 1.284 20 10 EDCDHN C[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273423166 443571453 /nfs/dbraw/zinc/57/14/53/443571453.db2.gz SOSYEYWCRMAERV-CYBMUJFWSA-N 0 3 336.436 1.977 20 10 EDCDHN CN(C)c1ccc(CNC(=O)C(=O)N(C)CC2(N(C)C)CCC2)cc1 ZINC000283413379 443626282 /nfs/dbraw/zinc/62/62/82/443626282.db2.gz ILKNIAYTHDXXGT-UHFFFAOYSA-N 0 3 346.475 1.312 20 10 EDCDHN CN(C)[C@H]1CCN(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000283888042 443756466 /nfs/dbraw/zinc/75/64/66/443756466.db2.gz FTPCMRHXPMIFHX-KRWDZBQOSA-N 0 3 344.459 1.066 20 10 EDCDHN COc1cc(Cl)cc(CN2CC[C@@H]3NC(=O)OC[C@H]3C2)c1O ZINC000281413925 443904129 /nfs/dbraw/zinc/90/41/29/443904129.db2.gz YNMUATLWMVYLOR-PWSUYJOCSA-N 0 3 326.780 1.985 20 10 EDCDHN Cn1cc(N2CCC[C@@H]([NH2+][C@@H]3CCc4cccc([O-])c43)C2=O)cn1 ZINC000297666478 444315657 /nfs/dbraw/zinc/31/56/57/444315657.db2.gz KVTPSKKMTSCTEI-HUUCEWRRSA-N 0 3 326.400 1.898 20 10 EDCDHN CCOc1cccc(C[NH2+]C[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)c1[O-] ZINC000360017461 445530155 /nfs/dbraw/zinc/53/01/55/445530155.db2.gz DABYZDYYWMGQAP-SCLBCKFNSA-N 0 3 347.415 1.601 20 10 EDCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)c1 ZINC000363857543 445879508 /nfs/dbraw/zinc/87/95/08/445879508.db2.gz QKJPBGYELLMNCO-VNBZBWLYSA-N 0 3 347.415 1.772 20 10 EDCDHN COc1ccc(O)c([C@@H](C)N2CCC[C@H](n3cnc(C(N)=O)n3)C2)c1 ZINC000367303194 446532675 /nfs/dbraw/zinc/53/26/75/446532675.db2.gz XFCUBEIGXVEKJF-NEPJUHHUSA-N 0 3 345.403 1.489 20 10 EDCDHN COCCOC[C@H](C)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000742377342 579450333 /nfs/dbraw/zinc/45/03/33/579450333.db2.gz SNIIEKHGEFSZHM-AWEZNQCLSA-N 0 3 326.412 1.803 20 10 EDCDHN COc1cc(C[NH2+]Cc2ccccc2[O-])cc(OC)c1OCC(N)=O ZINC000725851558 578289616 /nfs/dbraw/zinc/28/96/16/578289616.db2.gz SZGPQHYOTKHMRI-UHFFFAOYSA-N 0 3 346.383 1.563 20 10 EDCDHN CCCN(C)CC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000730277812 578638657 /nfs/dbraw/zinc/63/86/57/578638657.db2.gz CFGJOOPSVQLVBV-UHFFFAOYSA-N 0 3 337.439 1.745 20 10 EDCDHN CCCN(C)CC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000730280447 578639105 /nfs/dbraw/zinc/63/91/05/578639105.db2.gz ULLRQCDGWYDTPI-INIZCTEOSA-N 0 3 346.475 1.346 20 10 EDCDHN COC(=O)c1cn([C@@H]2CCN(Cc3cc(OC)c(C)cc3O)C2)nn1 ZINC000760535513 580033109 /nfs/dbraw/zinc/03/31/09/580033109.db2.gz VYDDCBBEBOQYBY-CYBMUJFWSA-N 0 3 346.387 1.534 20 10 EDCDHN Cc1cc(N(C)C)ccc1CNCc1cnc2c(C(N)=O)cnn2c1 ZINC000734512033 578819796 /nfs/dbraw/zinc/81/97/96/578819796.db2.gz MRLXPLDZOLXXTO-UHFFFAOYSA-N 0 3 338.415 1.492 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@]1(C)CCO[C@H]1C)cc2=O ZINC000755166963 579921717 /nfs/dbraw/zinc/92/17/17/579921717.db2.gz BTKYCOVOODHJRR-MGPLVRAMSA-N 0 3 334.376 1.269 20 10 EDCDHN COCCCNC(=O)C1CC[NH+](Cc2c([O-])cccc2OC)CC1 ZINC000768985587 580225335 /nfs/dbraw/zinc/22/53/35/580225335.db2.gz ZJIHMSOIHWVOGI-UHFFFAOYSA-N 0 3 336.432 1.766 20 10 EDCDHN COCCN1CC[C@@H](NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000773315273 580333706 /nfs/dbraw/zinc/33/37/06/580333706.db2.gz PIPVCVFGQDUFSW-GDBMZVCRSA-N 0 3 334.464 1.834 20 10 EDCDHN CC(=O)N[C@H]1CCCN(C(=O)CN[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000775827366 580402070 /nfs/dbraw/zinc/40/20/70/580402070.db2.gz KRAWHHOURSIZQM-PBHICJAKSA-N 0 3 346.475 1.530 20 10 EDCDHN C[C@H](NC(=O)NCC1(O)CCN(C)CC1)c1ccc(N(C)C)cc1 ZINC000776250597 580412718 /nfs/dbraw/zinc/41/27/18/580412718.db2.gz WBVIWNCTSNABOD-AWEZNQCLSA-N 0 3 334.464 1.570 20 10 EDCDHN CS(=O)(=O)C1(CNCc2ccc(N3CCOCC3)cc2)CCC1 ZINC000793279138 580840596 /nfs/dbraw/zinc/84/05/96/580840596.db2.gz DZKGMHAJOVIENC-UHFFFAOYSA-N 0 3 338.473 1.580 20 10 EDCDHN C[C@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C(=O)N(C)C ZINC000891990033 590730411 /nfs/dbraw/zinc/73/04/11/590730411.db2.gz MCCLKNMZLZPSIF-BBRMVZONSA-N 0 3 349.479 1.131 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)c2cnc3n2CCC3)N(C)C)cc1 ZINC000891245527 591014985 /nfs/dbraw/zinc/01/49/85/591014985.db2.gz GAJIDQLIJIZCDZ-INIZCTEOSA-N 0 3 341.459 1.928 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)/C=C\c2ccncn2)N(C)C)cc1 ZINC000891248393 591017352 /nfs/dbraw/zinc/01/73/52/591017352.db2.gz LIGBYXARAVZONS-VOCYLRNQSA-N 0 3 339.443 1.975 20 10 EDCDHN Cc1noc(CCC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)n1 ZINC000891252115 591019785 /nfs/dbraw/zinc/01/97/85/591019785.db2.gz GJKAWZNGZZGWAO-MRXNPFEDSA-N 0 3 345.447 1.796 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)C[C@@H]2CCC(=O)N2)N(C)C)cc1 ZINC000891252693 591020391 /nfs/dbraw/zinc/02/03/91/591020391.db2.gz MLWFVXLHUYYJRD-GOEBONIOSA-N 0 3 332.448 1.140 20 10 EDCDHN COCCO[C@H]1C[C@@H](CO)CN(Cc2cc(C)cc(OC)c2O)C1 ZINC000894581047 591352054 /nfs/dbraw/zinc/35/20/54/591352054.db2.gz IJJFDCYTQFGXNP-ZBFHGGJFSA-N 0 3 339.432 1.555 20 10 EDCDHN COc1cc(C)cc(CN2CCN([C@H]3CCNC(=O)CC3)CC2)c1O ZINC000894928618 591480918 /nfs/dbraw/zinc/48/09/18/591480918.db2.gz LHHXXCWEZGDKTP-MRXNPFEDSA-N 0 3 347.459 1.496 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)N(CCO)C2CC2)N(C)C)cc1 ZINC000899101323 591681930 /nfs/dbraw/zinc/68/19/30/591681930.db2.gz IVBMOBGNIZRHIZ-QGZVFWFLSA-N 0 3 334.464 1.522 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)NC[C@@H](O)C2CCC2)N(C)C)cc1 ZINC000899099260 591689252 /nfs/dbraw/zinc/68/92/52/591689252.db2.gz XQZPMXHYKLNOFP-ZWKOTPCHSA-N 0 3 348.491 1.816 20 10 EDCDHN COC(=O)c1cc2n(n1)CCC[C@@H]2NCc1cc2c(cc1O)OCO2 ZINC000897985015 591750336 /nfs/dbraw/zinc/75/03/36/591750336.db2.gz JMEKRTMLMZGLNC-NSHDSACASA-N 0 3 345.355 1.729 20 10 EDCDHN C[C@H](NCCS(=O)(=O)N1CCCC1)c1ccc(N(C)C)cc1 ZINC000903287564 592153384 /nfs/dbraw/zinc/15/33/84/592153384.db2.gz DNEQGDSYAZAUJW-AWEZNQCLSA-N 0 3 325.478 1.829 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNC(=O)c2snnc2C2CC2)cc1 ZINC000911668185 592974482 /nfs/dbraw/zinc/97/44/82/592974482.db2.gz VWWYHINPUCLNJU-CYBMUJFWSA-N 0 3 331.445 1.911 20 10 EDCDHN CCOC(=O)CN(Cc1ccccc1[O-])C[C@H](O)C[NH+]1CCCC1 ZINC000823581968 594218885 /nfs/dbraw/zinc/21/88/85/594218885.db2.gz VDRSQJARTRFRAJ-MRXNPFEDSA-N 0 3 336.432 1.214 20 10 EDCDHN COC[C@@H]([NH2+]Cc1cc(OC)c(OC)cc1[O-])C1CCOCC1 ZINC000826872537 594592105 /nfs/dbraw/zinc/59/21/05/594592105.db2.gz OCWIJNCLADQQLA-CQSZACIVSA-N 0 3 325.405 1.941 20 10 EDCDHN CC(C)n1ccc(CC(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)n1 ZINC000832272562 594739450 /nfs/dbraw/zinc/73/94/50/594739450.db2.gz GTXFUSKRWPLIPI-QGZVFWFLSA-N 0 3 329.448 1.889 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)c2cccc3c2OCCO3)cc1 ZINC000832279548 594739895 /nfs/dbraw/zinc/73/98/95/594739895.db2.gz JUXFEBDXEVNAMG-INIZCTEOSA-N 0 3 341.411 1.954 20 10 EDCDHN CC1CCN(C(=O)C(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)CC1 ZINC000832283886 594740253 /nfs/dbraw/zinc/74/02/53/594740253.db2.gz CXCBPYXEWDGNNX-MRXNPFEDSA-N 0 3 332.448 1.127 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)CCn2ccccc2=O)cc1 ZINC000832300275 594741123 /nfs/dbraw/zinc/74/11/23/594741123.db2.gz QPGRXYYIPMTVML-INIZCTEOSA-N 0 3 328.416 1.121 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNC(=O)CCOC[C@@H]2CCCO2)cc1 ZINC000832299745 594741133 /nfs/dbraw/zinc/74/11/33/594741133.db2.gz HFVSZRJFDXERCX-DLBZAZTESA-N 0 3 335.448 1.454 20 10 EDCDHN CNC(=O)NC1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000840975328 594834260 /nfs/dbraw/zinc/83/42/60/594834260.db2.gz VZUHMFBYZBLRFY-UHFFFAOYSA-N 0 3 332.448 1.417 20 10 EDCDHN CN1CCN(C(=O)c2csc(Cc3ccc(N)cc3)n2)[C@H](CN)C1 ZINC000841848681 594965277 /nfs/dbraw/zinc/96/52/77/594965277.db2.gz WEZBXPRRADJJME-CQSZACIVSA-N 0 3 345.472 1.031 20 10 EDCDHN C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCc1cc(Br)ccc1[O-] ZINC000841989596 594996693 /nfs/dbraw/zinc/99/66/93/594996693.db2.gz ZVRPVVUPEQZNFP-CABZTGNLSA-N 0 3 342.237 1.952 20 10 EDCDHN CC(C)C[C@H](CN)NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000842170068 595028461 /nfs/dbraw/zinc/02/84/61/595028461.db2.gz ADUOJYLXIUHHNH-MRXNPFEDSA-N 0 3 344.459 1.169 20 10 EDCDHN C[C@H](CN)NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000842254477 595056811 /nfs/dbraw/zinc/05/68/11/595056811.db2.gz JWYBXYPDIZNFDE-CYBMUJFWSA-N 0 3 333.432 1.517 20 10 EDCDHN COc1ccc(N2CCN(C[C@H](O)CN3CC[C@H]3C3CC3)CC2)cc1 ZINC000834383512 595107306 /nfs/dbraw/zinc/10/73/06/595107306.db2.gz UJXIZSOZTHGFFL-ICSRJNTNSA-N 0 3 345.487 1.662 20 10 EDCDHN COc1cc(Br)cc(C[NH2+]CCN2CCCC2=O)c1[O-] ZINC000846077240 595137452 /nfs/dbraw/zinc/13/74/52/595137452.db2.gz POVJJYLEXKPPKH-UHFFFAOYSA-N 0 3 343.221 1.875 20 10 EDCDHN COc1cccc([C@H](C)[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)c1[O-] ZINC000846156219 595160606 /nfs/dbraw/zinc/16/06/06/595160606.db2.gz CQHDOEFUZKUEBZ-RYUDHWBXSA-N 0 3 328.434 1.333 20 10 EDCDHN CCN(CC)CC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000837706817 595173641 /nfs/dbraw/zinc/17/36/41/595173641.db2.gz GPGYOEBSJWCTDA-UHFFFAOYSA-N 0 3 341.402 1.759 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNS(=O)(=O)C[C@@H]2CCCCO2)cc1 ZINC000842784739 595197460 /nfs/dbraw/zinc/19/74/60/595197460.db2.gz LILXBPWZIKUAJG-JKSUJKDBSA-N 0 3 341.477 1.241 20 10 EDCDHN CCc1cccc(CN2CCN(c3ccc(C(N)=O)cn3)CC2)c1O ZINC000848880411 595462003 /nfs/dbraw/zinc/46/20/03/595462003.db2.gz CWDDXWGSSFZBIN-UHFFFAOYSA-N 0 3 340.427 1.771 20 10 EDCDHN CCc1cccc(CN2CCC(NS(=O)(=O)CC)CC2)c1O ZINC000848909883 595466403 /nfs/dbraw/zinc/46/64/03/595466403.db2.gz BZPUWZZWEPTSKK-UHFFFAOYSA-N 0 3 326.462 1.858 20 10 EDCDHN NC[C@H]1CC(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)=NO1 ZINC000852882503 595596938 /nfs/dbraw/zinc/59/69/38/595596938.db2.gz JBEUDFKPJZBIRA-UONOGXRCSA-N 0 3 333.388 1.003 20 10 EDCDHN CN1CCN(C(=O)C[NH2+]Cc2c([O-])cccc2Br)CC1 ZINC000858118151 595703279 /nfs/dbraw/zinc/70/32/79/595703279.db2.gz PYDVTNZLCIPKBF-UHFFFAOYSA-N 0 3 342.237 1.018 20 10 EDCDHN CN1CCN(C(=O)CNCc2c(O)cccc2Br)CC1 ZINC000858118151 595703283 /nfs/dbraw/zinc/70/32/83/595703283.db2.gz PYDVTNZLCIPKBF-UHFFFAOYSA-N 0 3 342.237 1.018 20 10 EDCDHN CN(C)c1cc(F)c(CNC[C@@H]2CCCCN2CCO)cc1F ZINC000858170992 595719349 /nfs/dbraw/zinc/71/93/49/595719349.db2.gz RPKOBYOMXKDVPV-AWEZNQCLSA-N 0 3 327.419 1.967 20 10 EDCDHN COc1cccc([O-])c1C[NH2+]C[C@@]1(CO)COCC2(CCC2)N1C ZINC000858223068 595734891 /nfs/dbraw/zinc/73/48/91/595734891.db2.gz WTHZSLGESONLOQ-GOSISDBHSA-N 0 3 336.432 1.106 20 10 EDCDHN NC(=O)[C@H]1C[C@H](NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000858249497 595742466 /nfs/dbraw/zinc/74/24/66/595742466.db2.gz RGOBJAMSABBPJP-HDJSIYSDSA-N 0 3 332.404 1.939 20 10 EDCDHN COc1ccc(N2CC[C@H](NCc3cnc(N(C)C)n3C)C2)cc1 ZINC000850346254 595814126 /nfs/dbraw/zinc/81/41/26/595814126.db2.gz DGQLWRIHQQNJMJ-AWEZNQCLSA-N 0 3 329.448 1.863 20 10 EDCDHN Cc1ccc(O)c(CNC(=O)NC2CCN([C@@H]3CCOC3)CC2)c1 ZINC000858619352 595846725 /nfs/dbraw/zinc/84/67/25/595846725.db2.gz NZRPSRJIDKPVOQ-MRXNPFEDSA-N 0 3 333.432 1.753 20 10 EDCDHN COc1ccc(N2CC[C@H](NC(=O)CNC[C@H]3CCCO3)C2)cc1 ZINC000851639522 595864273 /nfs/dbraw/zinc/86/42/73/595864273.db2.gz HBFUKKYMUIDXDS-WMLDXEAASA-N 0 3 333.432 1.159 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@@H]1C[C@H](O)C13CCC3)cc2=O ZINC000852584961 596205928 /nfs/dbraw/zinc/20/59/28/596205928.db2.gz VMHMULZEADIWFO-OLZOCXBDSA-N 0 3 346.387 1.005 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@H]3COC[C@H]3C1)cc2=O ZINC000852669496 596224736 /nfs/dbraw/zinc/22/47/36/596224736.db2.gz STIIXLBRZREIIC-NWDGAFQWSA-N 0 3 346.387 1.080 20 10 EDCDHN CC[C@@H]([NH2+]C[C@@]12COCCN1C(=O)COC2)c1ccc(C)cc1[O-] ZINC000866553810 596248047 /nfs/dbraw/zinc/24/80/47/596248047.db2.gz OAMRKPQUUOKMFH-QAPCUYQASA-N 0 3 334.416 1.369 20 10 EDCDHN [O-]c1cccc(Br)c1CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000862401415 596321897 /nfs/dbraw/zinc/32/18/97/596321897.db2.gz DKUPAQSWAOBAEE-WDEREUQCSA-N 0 3 327.222 1.406 20 10 EDCDHN [O-]c1cccc(Br)c1CN1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000862401415 596321900 /nfs/dbraw/zinc/32/19/00/596321900.db2.gz DKUPAQSWAOBAEE-WDEREUQCSA-N 0 3 327.222 1.406 20 10 EDCDHN COc1ccc(CNC[C@@]2(C)CCC(=O)N2)cc1Cn1cccn1 ZINC000873131215 597206461 /nfs/dbraw/zinc/20/64/61/597206461.db2.gz PCWYSQQELHJSKA-GOSISDBHSA-N 0 3 328.416 1.698 20 10 EDCDHN O=C1C[C@H](NCc2cc(F)c(N3CCOCC3)c(F)c2)CCCN1 ZINC000877582333 597538605 /nfs/dbraw/zinc/53/86/05/597538605.db2.gz QQUVQEJJOQFWBS-CYBMUJFWSA-N 0 3 339.386 1.560 20 10 EDCDHN CN(C)c1ccc(CN(C)C(=O)CN2CC[C@H](C(C)(C)O)C2)cc1 ZINC000880140116 597854352 /nfs/dbraw/zinc/85/43/52/597854352.db2.gz KNAGLHQZVORTSZ-INIZCTEOSA-N 0 3 333.476 1.804 20 10 EDCDHN CN(C)c1ccc(CNC(=O)[C@@H](N)CN(C)Cc2ccccc2)cc1 ZINC000702368326 709503547 /nfs/dbraw/zinc/50/35/47/709503547.db2.gz APKYYBMSIVFTRT-IBGZPJMESA-N 0 3 340.471 1.828 20 10 EDCDHN COCCN1CCCC[C@H](NC(=O)c2cc(OC)nc(OC)c2)C1 ZINC001034289291 709712554 /nfs/dbraw/zinc/71/25/54/709712554.db2.gz VIVZEDPWYMQQOE-AWEZNQCLSA-N 0 3 337.420 1.330 20 10 EDCDHN C[C@H](O)[C@H]1CCCCN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000264478274 249337649 /nfs/dbraw/zinc/33/76/49/249337649.db2.gz ZINZIVICUVPHNC-MAUKXSAKSA-N 0 3 333.476 1.946 20 10 EDCDHN CN1CCN([C@H]2CCCC[N@H+](Cc3cc4c(cc3[O-])OCO4)C2)CC1 ZINC000377693648 250291354 /nfs/dbraw/zinc/29/13/54/250291354.db2.gz HKAQZUILYUNAFW-INIZCTEOSA-N 0 3 347.459 1.723 20 10 EDCDHN CN1CCN([C@H]2CCCC[N@@H+](Cc3cc4c(cc3[O-])OCO4)C2)CC1 ZINC000377693648 250291356 /nfs/dbraw/zinc/29/13/56/250291356.db2.gz HKAQZUILYUNAFW-INIZCTEOSA-N 0 3 347.459 1.723 20 10 EDCDHN CCOc1cccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2[C@H]2CCCO2)c1[O-] ZINC000377716276 250291550 /nfs/dbraw/zinc/29/15/50/250291550.db2.gz BNUWMOWCTSRYHS-CKEIUWERSA-N 0 3 334.416 1.707 20 10 EDCDHN COc1cccc(CN2CCN(C[C@@H]3CN(C)CCO3)C[C@@H]2C)c1O ZINC000372417995 278010536 /nfs/dbraw/zinc/01/05/36/278010536.db2.gz ZSHDFPLDGXZGKP-RDJZCZTQSA-N 0 3 349.475 1.238 20 10 EDCDHN CCc1nc(CN2C[C@H]3C[NH+](Cc4ccccc4[O-])C[C@@H]3C2)no1 ZINC000378500342 447436118 /nfs/dbraw/zinc/43/61/18/447436118.db2.gz UEJBXXBXCOSUDY-HUUCEWRRSA-N 0 3 328.416 1.901 20 10 EDCDHN COc1cccc(CN2CCCC[C@H]2CCNS(C)(=O)=O)c1O ZINC000159435953 441813780 /nfs/dbraw/zinc/81/37/80/441813780.db2.gz KZFHPPZKTSCMTB-AWEZNQCLSA-N 0 3 342.461 1.695 20 10 EDCDHN C[C@@H](N[C@@H]1CCCCNC1=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000177873440 442392555 /nfs/dbraw/zinc/39/25/55/442392555.db2.gz ONONAFMBIWGCEZ-CZUORRHYSA-N 0 3 335.423 1.982 20 10 EDCDHN CCN(CC)C(=O)CN1CCCN(Cc2cc(F)ccc2O)CC1 ZINC000179923203 442520309 /nfs/dbraw/zinc/52/03/09/442520309.db2.gz RQJZWECIQMYAGI-UHFFFAOYSA-N 0 3 337.439 1.907 20 10 EDCDHN CCCN(CCC)c1ccc(CNCCS(=O)(=O)NC)cc1 ZINC000276012183 443648419 /nfs/dbraw/zinc/64/84/19/443648419.db2.gz MFNKMEUVSJTZBF-UHFFFAOYSA-N 0 3 327.494 1.952 20 10 EDCDHN Cc1cc(C)c([C@@H](C)[NH2+]CCNS(=O)(=O)NC(C)C)c([O-])c1 ZINC000284907559 443793413 /nfs/dbraw/zinc/79/34/13/443793413.db2.gz CMHFLQWAFULDGT-CYBMUJFWSA-N 0 3 329.466 1.492 20 10 EDCDHN COc1ccc(N2CCN(CCNCc3n[nH]cc3C)CC2)cc1 ZINC000290061279 444236920 /nfs/dbraw/zinc/23/69/20/444236920.db2.gz XRSZMDYZZAZZOA-UHFFFAOYSA-N 0 3 329.448 1.639 20 10 EDCDHN CC(=O)N1CCN(c2ccc(OC[C@H](O)CN(C)C3CC3)cc2)CC1 ZINC000290857154 444331014 /nfs/dbraw/zinc/33/10/14/444331014.db2.gz YDGMPUOMOSLDFE-GOSISDBHSA-N 0 3 347.459 1.189 20 10 EDCDHN O=C(CC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1)N1CCOCC1 ZINC000731844445 578681305 /nfs/dbraw/zinc/68/13/05/578681305.db2.gz HUOQIKCKCHHYKO-QGZVFWFLSA-N 0 3 348.443 1.622 20 10 EDCDHN O=C(CC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1)N1CCOCC1 ZINC000731844445 578681306 /nfs/dbraw/zinc/68/13/06/578681306.db2.gz HUOQIKCKCHHYKO-QGZVFWFLSA-N 0 3 348.443 1.622 20 10 EDCDHN CN(CCCS(N)(=O)=O)Cc1ccc(N2CCCCC2)cc1 ZINC000738298992 579183255 /nfs/dbraw/zinc/18/32/55/579183255.db2.gz LGUPMRMBTXNMQJ-UHFFFAOYSA-N 0 3 325.478 1.787 20 10 EDCDHN COC(=O)C[C@@]1(NCc2cc(OC)c(OC)cc2O)CCOC1 ZINC000768535826 580215643 /nfs/dbraw/zinc/21/56/43/580215643.db2.gz RDFLFTJJARMGCD-INIZCTEOSA-N 0 3 325.361 1.221 20 10 EDCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCN2C(=O)NC3(CCCC3)C2=O)c1 ZINC000775372426 580389458 /nfs/dbraw/zinc/38/94/58/580389458.db2.gz ACAKFTVUILMTJF-LBPRGKRZSA-N 0 3 347.415 1.916 20 10 EDCDHN CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000780954309 580538662 /nfs/dbraw/zinc/53/86/62/580538662.db2.gz DBYVGXRDUSDBNO-AWEZNQCLSA-N 0 3 336.432 1.979 20 10 EDCDHN CN1CCN(c2ccc(CN3C[C@@H]4CCC[C@@H]4[C@@H]3C(N)=O)cc2)CC1 ZINC000787423448 580695117 /nfs/dbraw/zinc/69/51/17/580695117.db2.gz NEOKVHKLRSNUFT-YTQUADARSA-N 0 3 342.487 1.524 20 10 EDCDHN CC[C@@H]([NH2+]CCS(=O)(=O)N1CCOCC1)c1ccc(C)cc1[O-] ZINC000794811948 580906430 /nfs/dbraw/zinc/90/64/30/580906430.db2.gz UYETYSJGGJNTLH-OAHLLOKOSA-N 0 3 342.461 1.403 20 10 EDCDHN Cc1cc(N(C)C)ccc1CNCCS(=O)(=O)NCC1CCC1 ZINC000840931366 590968453 /nfs/dbraw/zinc/96/84/53/590968453.db2.gz FQRLSTYNDGCUPS-UHFFFAOYSA-N 0 3 339.505 1.870 20 10 EDCDHN CN(C)CCOc1ccc(N(C)Cc2cnc3n2CCOC3)cc1 ZINC000893574335 590976751 /nfs/dbraw/zinc/97/67/51/590976751.db2.gz WMVUQUXGMQJPKN-UHFFFAOYSA-N 0 3 330.432 1.990 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCNC(=O)CC2)N(C)C)cc1 ZINC000891249822 591018371 /nfs/dbraw/zinc/01/83/71/591018371.db2.gz SZYZHMQRQGVZER-WBVHZDCISA-N 0 3 346.475 1.388 20 10 EDCDHN CN(C)C(=O)C1(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CC1 ZINC000891250196 591019340 /nfs/dbraw/zinc/01/93/40/591019340.db2.gz ZUTSQMTUBCTGHC-INIZCTEOSA-N 0 3 346.475 1.340 20 10 EDCDHN COc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)nn1 ZINC000891252983 591020955 /nfs/dbraw/zinc/02/09/55/591020955.db2.gz OWKZMJWYDVRLTD-MRXNPFEDSA-N 0 3 343.431 1.584 20 10 EDCDHN COC(=O)[C@H]1CN(C)CCN(Cc2cc(Cl)cc(OC)c2O)C1 ZINC000840959142 591042006 /nfs/dbraw/zinc/04/20/06/591042006.db2.gz UTAQOGNHRDRYCI-LBPRGKRZSA-N 0 3 342.823 1.591 20 10 EDCDHN CN1C[C@@H]2CCN(C(=O)NCc3ccc4c(c3)CCCN4C)[C@@H]2C1 ZINC000892491743 591047843 /nfs/dbraw/zinc/04/78/43/591047843.db2.gz GYSKVSKWQQIPIK-FUHWJXTLSA-N 0 3 328.460 1.915 20 10 EDCDHN COCC(=O)NC1CCN(Cc2ccc(OC)c(OC)c2O)CC1 ZINC000891721255 591198105 /nfs/dbraw/zinc/19/81/05/591198105.db2.gz UQJITPWTVIIYGK-UHFFFAOYSA-N 0 3 338.404 1.136 20 10 EDCDHN CC1=NO[C@@H](CNC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000896087242 591340048 /nfs/dbraw/zinc/34/00/48/591340048.db2.gz IVCUUNFSHVYZJC-SJORKVTESA-N 0 3 347.463 1.819 20 10 EDCDHN CCS(=O)(=O)C[C@@H](C)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898450087 591353532 /nfs/dbraw/zinc/35/35/32/591353532.db2.gz MZFUJPHVVSPVDF-RHSMWYFYSA-N 0 3 341.521 1.768 20 10 EDCDHN C[C@@H]1COC[C@H]1NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000896642159 591561011 /nfs/dbraw/zinc/56/10/11/591561011.db2.gz WRSSHPCEQQCTSZ-XYPHTWIQSA-N 0 3 334.464 1.689 20 10 EDCDHN C[C@@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)C[C@H]1CS(N)(=O)=O ZINC000897609515 591585920 /nfs/dbraw/zinc/58/59/20/591585920.db2.gz JIBZWBWKTCHYAF-OCCSQVGLSA-N 0 3 334.441 1.902 20 10 EDCDHN C[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)C[C@H]1CS(N)(=O)=O ZINC000897609515 591585921 /nfs/dbraw/zinc/58/59/21/591585921.db2.gz JIBZWBWKTCHYAF-OCCSQVGLSA-N 0 3 334.441 1.902 20 10 EDCDHN C[C@@H](O)CN(C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C1CC1 ZINC000899099093 591688794 /nfs/dbraw/zinc/68/87/94/591688794.db2.gz VIKOXDZSNGAFEY-RDTXWAMCSA-N 0 3 348.491 1.910 20 10 EDCDHN C[C@@H](O)CN(C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C1CC1 ZINC000899099091 591688877 /nfs/dbraw/zinc/68/88/77/591688877.db2.gz VIKOXDZSNGAFEY-KDOFPFPSSA-N 0 3 348.491 1.910 20 10 EDCDHN COC[C@@H]([NH2+]Cc1ccc(OC)c(OC)c1[O-])C1CCOCC1 ZINC000895318156 591711126 /nfs/dbraw/zinc/71/11/26/591711126.db2.gz BWAUAVRUGZHXJR-CQSZACIVSA-N 0 3 325.405 1.941 20 10 EDCDHN O=C1OCCCN1C1CC[NH+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000902594268 592016250 /nfs/dbraw/zinc/01/62/50/592016250.db2.gz QCBCGURFOHBLOV-INIZCTEOSA-N 0 3 348.399 1.625 20 10 EDCDHN CCc1noc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)n1 ZINC000903046646 592113344 /nfs/dbraw/zinc/11/33/44/592113344.db2.gz VQTKWVANORMKNL-AWEZNQCLSA-N 0 3 331.420 1.731 20 10 EDCDHN C/C=C\[C@H](O)C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 ZINC000901288626 592326373 /nfs/dbraw/zinc/32/63/73/592326373.db2.gz YOKZUAYWHKFVNT-AXMVSILFSA-N 0 3 343.471 1.772 20 10 EDCDHN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1CN(C2CCOCC2)C1 ZINC000907272667 592567577 /nfs/dbraw/zinc/56/75/77/592567577.db2.gz HJSOGMWHNYXXLD-LBPRGKRZSA-N 0 3 334.416 1.256 20 10 EDCDHN O=C(NCc1ccc(O)cc1O)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000910950825 592903867 /nfs/dbraw/zinc/90/38/67/592903867.db2.gz JSDJABSXWHXUPW-LJQANCHMSA-N 0 3 342.395 1.351 20 10 EDCDHN COc1ccc(CCC(=O)NC[C@H](N)c2ccc(N(C)C)cc2)cn1 ZINC000911667325 592973910 /nfs/dbraw/zinc/97/39/10/592973910.db2.gz PWXZFTJMHBGGHP-KRWDZBQOSA-N 0 3 342.443 1.905 20 10 EDCDHN CCN1CCN(c2ccc(CNCc3cn(C)cn3)cc2F)CC1 ZINC000808387965 593256382 /nfs/dbraw/zinc/25/63/82/593256382.db2.gz ZKGQVNVCKJPPFU-UHFFFAOYSA-N 0 3 331.439 1.991 20 10 EDCDHN CC(C)N1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000817274480 593586982 /nfs/dbraw/zinc/58/69/82/593586982.db2.gz LUEOUZKYFRFCQR-QGZVFWFLSA-N 0 3 346.475 1.310 20 10 EDCDHN CN(C)c1ccc([C@H](N)CN[C@H]2CCCC[C@H]2S(C)(=O)=O)cc1 ZINC000817941885 593650853 /nfs/dbraw/zinc/65/08/53/593650853.db2.gz LMVIFDQTNGSQNR-IXDOHACOSA-N 0 3 339.505 1.698 20 10 EDCDHN NC(=O)CCNCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000818964063 593730690 /nfs/dbraw/zinc/73/06/90/593730690.db2.gz JLTCUASLSUUTFY-UHFFFAOYSA-N 0 3 331.338 1.507 20 10 EDCDHN COC[C@@H](O)CNCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000818966376 593730966 /nfs/dbraw/zinc/73/09/66/593730966.db2.gz JTVQTXMGATWBJS-NFAWXSAZSA-N 0 3 326.412 1.536 20 10 EDCDHN O[C@H](CNCc1ccc(N2CC=CC2)cc1)COC1CCOCC1 ZINC000819094766 593738637 /nfs/dbraw/zinc/73/86/37/593738637.db2.gz LRPVQQDSMTWPJJ-GOSISDBHSA-N 0 3 332.444 1.709 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)[C@H]2CSCCS2)cc1 ZINC000832265885 594738958 /nfs/dbraw/zinc/73/89/58/594738958.db2.gz AXKFAOSQITVUAI-UONOGXRCSA-N 0 3 325.503 1.717 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)CCOC2CCOCC2)cc1 ZINC000832267577 594739009 /nfs/dbraw/zinc/73/90/09/594739009.db2.gz WHUBQKGRSLOXIO-KRWDZBQOSA-N 0 3 335.448 1.454 20 10 EDCDHN CCN(CC)C(=O)CCC(=O)NC[C@@H](N)c1ccc(N(C)C)cc1 ZINC000832266332 594739127 /nfs/dbraw/zinc/73/91/27/594739127.db2.gz DTKODXMJVRRCRS-MRXNPFEDSA-N 0 3 334.464 1.517 20 10 EDCDHN CC(=O)c1cc(C(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)n(C)c1 ZINC000832279308 594739989 /nfs/dbraw/zinc/73/99/89/594739989.db2.gz ITBDCVBSFOACNK-MRXNPFEDSA-N 0 3 328.416 1.724 20 10 EDCDHN Cc1cc(COCC(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)on1 ZINC000832286370 594740408 /nfs/dbraw/zinc/74/04/08/594740408.db2.gz YRDITQUVQWGTLS-MRXNPFEDSA-N 0 3 332.404 1.382 20 10 EDCDHN COCCNC(=O)C1(NC2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000840825405 594818894 /nfs/dbraw/zinc/81/88/94/594818894.db2.gz XJFBTMMJDORSAT-UHFFFAOYSA-N 0 3 347.459 1.549 20 10 EDCDHN O=C(CCCCO)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 ZINC000867152279 594898868 /nfs/dbraw/zinc/89/88/68/594898868.db2.gz AATXUZUACFYCHN-UHFFFAOYSA-N 0 3 345.487 1.997 20 10 EDCDHN [NH3+]C[C@@H](NC(=O)NCc1cc(Br)ccc1[O-])C1CC1 ZINC000841946295 594987183 /nfs/dbraw/zinc/98/71/83/594987183.db2.gz IWBRTJGXEZMPCY-LLVKDONJSA-N 0 3 328.210 1.691 20 10 EDCDHN CCCC[C@@H](CN)NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000842149621 595023547 /nfs/dbraw/zinc/02/35/47/595023547.db2.gz CMIQHRISKDJSAW-INIZCTEOSA-N 0 3 346.475 1.319 20 10 EDCDHN CCCC[C@H](CN)NC(=O)C(=O)N(CCC)Cc1ccccc1O ZINC000842267499 595061122 /nfs/dbraw/zinc/06/11/22/595061122.db2.gz PFBCFOZJHLMKMR-OAHLLOKOSA-N 0 3 335.448 1.765 20 10 EDCDHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NCc1ccc(N(C)C)cc1 ZINC000843308019 595069854 /nfs/dbraw/zinc/06/98/54/595069854.db2.gz CVBMRKHGLZRCAH-AWEZNQCLSA-N 0 3 347.463 1.014 20 10 EDCDHN COc1cc(Br)cc(C[NH2+]CC[C@@]2(O)CCOC2)c1[O-] ZINC000846050730 595130462 /nfs/dbraw/zinc/13/04/62/595130462.db2.gz XWOLJBNIDUGUBQ-CQSZACIVSA-N 0 3 346.221 1.794 20 10 EDCDHN COc1cccc([C@@H](C)[NH2+]CC2(OCCO)CCOCC2)c1[O-] ZINC000846167665 595163542 /nfs/dbraw/zinc/16/35/42/595163542.db2.gz MKPLXUYVJQFFCH-CYBMUJFWSA-N 0 3 325.405 1.610 20 10 EDCDHN CO[C@@H](CS(=O)(=O)NC[C@@H](N)c1ccc(N(C)C)cc1)C1CC1 ZINC000842784997 595197234 /nfs/dbraw/zinc/19/72/34/595197234.db2.gz JWRXGEUHGJQUDJ-CVEARBPZSA-N 0 3 341.477 1.097 20 10 EDCDHN CN(C)c1ccc(/C=C\CN(C)C[C@@H](O)CN2CCOCC2)cc1 ZINC000835026407 595247760 /nfs/dbraw/zinc/24/77/60/595247760.db2.gz TUBCSVWIBGUFHW-PHWHVTFISA-N 0 3 333.476 1.391 20 10 EDCDHN CN(C)c1ccc(/C=C\CN2CCC3(CC2)NC(=O)NC3=O)cc1 ZINC000835044517 595252493 /nfs/dbraw/zinc/25/24/93/595252493.db2.gz KZSGNFUHSSBEBN-ARJAWSKDSA-N 0 3 328.416 1.440 20 10 EDCDHN CN[C@@H](C)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000848415600 595375423 /nfs/dbraw/zinc/37/54/23/595375423.db2.gz VQYYMPIMBVETMX-RYUDHWBXSA-N 0 3 327.375 1.981 20 10 EDCDHN COC[C@H](O)C[NH2+][C@@H](C)c1cc(Br)cc(OC)c1[O-] ZINC000848548991 595404471 /nfs/dbraw/zinc/40/44/71/595404471.db2.gz NBFSUVMPKFCWMP-WCBMZHEXSA-N 0 3 334.210 1.821 20 10 EDCDHN COC[C@H](CO)[NH2+][C@H](C)c1cc(Br)cc(OC)c1[O-] ZINC000848548852 595404584 /nfs/dbraw/zinc/40/45/84/595404584.db2.gz GQELSLUPAIDYJA-SCZZXKLOSA-N 0 3 334.210 1.821 20 10 EDCDHN O=C(NCc1cc(Cl)ccc1O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000844954254 595419244 /nfs/dbraw/zinc/41/92/44/595419244.db2.gz PKEPTWSBRWZMOV-ZIAGYGMSSA-N 0 3 339.823 1.708 20 10 EDCDHN COCCN1CC[C@H](NC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000845004662 595425736 /nfs/dbraw/zinc/42/57/36/595425736.db2.gz RZPHUMLEVVIDTE-ZDUSSCGKSA-N 0 3 327.812 1.566 20 10 EDCDHN CN(Cc1ccccc1O)C(=O)[C@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC000849561193 595569174 /nfs/dbraw/zinc/56/91/74/595569174.db2.gz HRAHDYUGYRPBRH-DLBZAZTESA-N 0 3 342.443 1.820 20 10 EDCDHN NC1(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CCCCC1 ZINC000852916872 595613459 /nfs/dbraw/zinc/61/34/59/595613459.db2.gz RVXTZCDASBYDOG-UHFFFAOYSA-N 0 3 331.460 1.926 20 10 EDCDHN CCN1CCN(C[C@H](C)CNC(=O)NCc2cc(C)ccc2O)CC1 ZINC000858278360 595750604 /nfs/dbraw/zinc/75/06/04/595750604.db2.gz WVZAXYRBQBDHIC-MRXNPFEDSA-N 0 3 348.491 1.773 20 10 EDCDHN Cc1ccc(O)c(CNC(=O)N[C@@H](C)CCN2CCN(C)CC2)c1 ZINC000858367801 595776242 /nfs/dbraw/zinc/77/62/42/595776242.db2.gz WXJUOKNHOMXJRB-HNNXBMFYSA-N 0 3 334.464 1.526 20 10 EDCDHN [O-]c1ccccc1C[NH2+]C[C@]1(CO)COCCN1Cc1ccccc1 ZINC000850396627 595827387 /nfs/dbraw/zinc/82/73/87/595827387.db2.gz ZMHAINUOGPWDNO-FQEVSTJZSA-N 0 3 342.439 1.745 20 10 EDCDHN CC[C@@H]([NH2+]C[C@]12COCCN1C(=O)COC2)c1ccc(C)cc1[O-] ZINC000866553808 596248352 /nfs/dbraw/zinc/24/83/52/596248352.db2.gz OAMRKPQUUOKMFH-CRAIPNDOSA-N 0 3 334.416 1.369 20 10 EDCDHN CN(C)CCN1CCN(Cc2cc(F)c(N(C)C)cc2F)CC1=O ZINC000862402091 596322124 /nfs/dbraw/zinc/32/21/24/596322124.db2.gz YUWDTSXBAPPIGZ-UHFFFAOYSA-N 0 3 340.418 1.237 20 10 EDCDHN C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@@H](C)c1ccccc1O ZINC000868509157 596865764 /nfs/dbraw/zinc/86/57/64/596865764.db2.gz BFDJSRUACKSTRD-CABCVRRESA-N 0 3 334.464 1.778 20 10 EDCDHN COc1ccc(CNCC2([S@](C)=O)CC2)cc1Cn1cccn1 ZINC000873120950 597202697 /nfs/dbraw/zinc/20/26/97/597202697.db2.gz BIFVVIFDWUNJFB-QHCPKHFHSA-N 0 3 333.457 1.941 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)Cn2ccc(C(F)F)n2)cc1 ZINC000876507123 597224524 /nfs/dbraw/zinc/22/45/24/597224524.db2.gz VZGLDBKSQCPZCZ-ZDUSSCGKSA-N 0 3 337.374 1.703 20 10 EDCDHN Cc1ccc(CN2CCN(c3ccc(C(N)=O)cn3)CC2)c(O)c1 ZINC000876586657 597251397 /nfs/dbraw/zinc/25/13/97/597251397.db2.gz KAKLPADCASUCOA-UHFFFAOYSA-N 0 3 326.400 1.517 20 10 EDCDHN COC(=O)C1(CNCc2ccc(OC)c(Cn3cccn3)c2)CC1 ZINC000877423922 597512822 /nfs/dbraw/zinc/51/28/22/597512822.db2.gz CFRJUFFKQVPTTM-UHFFFAOYSA-N 0 3 329.400 1.983 20 10 EDCDHN COc1cccc(CNCC2(S(=O)(=O)NC(C)(C)C)CC2)c1O ZINC000877527304 597531274 /nfs/dbraw/zinc/53/12/74/597531274.db2.gz YHMWPXRGISIWLX-UHFFFAOYSA-N 0 3 342.461 1.741 20 10 EDCDHN COC(=O)[C@H]1[C@@H]2CN(Cc3ccc(N4CCC(O)CC4)cc3)C[C@@H]21 ZINC000877546331 597533290 /nfs/dbraw/zinc/53/32/90/597533290.db2.gz JGSMSXSMSVRCPY-PIIMJCKOSA-N 0 3 330.428 1.499 20 10 EDCDHN O=C1O[C@H](CNCc2ccc(N3CCC(O)CC3)cc2)CN1C1CC1 ZINC000877621689 597542195 /nfs/dbraw/zinc/54/21/95/597542195.db2.gz UMZKGNORBZMEHH-GOSISDBHSA-N 0 3 345.443 1.721 20 10 EDCDHN CC(C)n1cc(CNCc2ccc(N3CCN(C)CC3)cc2)nn1 ZINC000883283653 597699857 /nfs/dbraw/zinc/69/98/57/597699857.db2.gz NFYPLGBJQGSDRB-UHFFFAOYSA-N 0 3 328.464 1.901 20 10 EDCDHN N[C@H](CC1CC1)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000884194518 598022837 /nfs/dbraw/zinc/02/28/37/598022837.db2.gz LBPVCSCNFXYCCZ-GOSISDBHSA-N 0 3 331.460 1.639 20 10 EDCDHN COCCN1CCCC[C@@H](NC(=O)c2cc(OC)nc(OC)c2)C1 ZINC001034289292 709712508 /nfs/dbraw/zinc/71/25/08/709712508.db2.gz VIVZEDPWYMQQOE-CQSZACIVSA-N 0 3 337.420 1.330 20 10 EDCDHN COc1cc(C(=O)N[C@@H]2CCCCN(C[C@H](C)O)C2)cc(OC)n1 ZINC001034289548 709712952 /nfs/dbraw/zinc/71/29/52/709712952.db2.gz YUJOOYCPTYNLRQ-GXTWGEPZSA-N 0 3 337.420 1.064 20 10 EDCDHN CN(C)c1ccc(CNC(=O)CN[C@H]2CCC(=O)NC23CCC3)cc1 ZINC000282925229 249550484 /nfs/dbraw/zinc/55/04/84/249550484.db2.gz YQWHBERVSBMPSR-INIZCTEOSA-N 0 3 344.459 1.160 20 10 EDCDHN O=S1(=O)CC[C@H]([NH2+]C2CCN(Cc3cc(F)ccc3[O-])CC2)C1 ZINC000372811196 250226506 /nfs/dbraw/zinc/22/65/06/250226506.db2.gz BUSZPRYPFUONNS-HNNXBMFYSA-N 0 3 342.436 1.272 20 10 EDCDHN NC(=O)c1cnn2c1C[C@@H](C[NH2+][C@H]1CCc3cccc([O-])c31)CC2 ZINC000296344937 274941579 /nfs/dbraw/zinc/94/15/79/274941579.db2.gz HEFWISMISIXOCZ-FZMZJTMJSA-N 0 3 326.400 1.527 20 10 EDCDHN [O-]c1cc2c(cc1C[NH2+][C@H]1CCCN(c3cccnn3)C1)OCO2 ZINC000105905009 441315352 /nfs/dbraw/zinc/31/53/52/441315352.db2.gz XALOELKISZXQEW-ZDUSSCGKSA-N 0 3 328.372 1.670 20 10 EDCDHN CNS(=O)(=O)CC[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000188539113 442761229 /nfs/dbraw/zinc/76/12/29/442761229.db2.gz MGAFHAQWIDFZNZ-UHFFFAOYSA-N 0 3 337.239 1.102 20 10 EDCDHN COCCN1CC[C@@H](NC(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC000266545598 443163895 /nfs/dbraw/zinc/16/38/95/443163895.db2.gz RKTPCHSSCYSJOY-OAHLLOKOSA-N 0 3 347.459 1.791 20 10 EDCDHN [O-]c1cc2c(cc1C[NH2+]C[C@H]1CCC3(CCOCC3)[C@@H]1O)OCO2 ZINC000282843847 443448471 /nfs/dbraw/zinc/44/84/71/443448471.db2.gz OZDUOVJQHWXDRV-SJKOYZFVSA-N 0 3 335.400 1.778 20 10 EDCDHN COc1ccc(N2CCN(CCN[C@@H](C)c3ccnn3C)CC2)cc1 ZINC000278858158 443464293 /nfs/dbraw/zinc/46/42/93/443464293.db2.gz WCDOUOMHFWSRBY-INIZCTEOSA-N 0 3 343.475 1.902 20 10 EDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCCN2CCC[C@H]2C(=O)N(C)C)c1 ZINC000273581615 443582392 /nfs/dbraw/zinc/58/23/92/443582392.db2.gz MWZNBHADDSNVHG-PBHICJAKSA-N 0 3 349.475 1.994 20 10 EDCDHN COc1cccc(C[N@@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)c1[O-] ZINC000275151124 443622238 /nfs/dbraw/zinc/62/22/38/443622238.db2.gz SOJJAWFFMFCBPT-LLVKDONJSA-N 0 3 332.322 1.901 20 10 EDCDHN COc1cccc(C[N@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)c1[O-] ZINC000275151124 443622241 /nfs/dbraw/zinc/62/22/41/443622241.db2.gz SOJJAWFFMFCBPT-LLVKDONJSA-N 0 3 332.322 1.901 20 10 EDCDHN CCOC(=O)[C@](C)(O)C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000274668649 443609202 /nfs/dbraw/zinc/60/92/02/443609202.db2.gz RTPLPLXZQNXLCP-CRAIPNDOSA-N 0 3 337.416 1.687 20 10 EDCDHN CCOC(=O)[C@](C)(O)C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000274668649 443609206 /nfs/dbraw/zinc/60/92/06/443609206.db2.gz RTPLPLXZQNXLCP-CRAIPNDOSA-N 0 3 337.416 1.687 20 10 EDCDHN CCCN(Cc1ccccc1O)C(=O)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000298666936 443833285 /nfs/dbraw/zinc/83/32/85/443833285.db2.gz MBFIGOLTDYULDQ-MRXNPFEDSA-N 0 3 345.443 1.437 20 10 EDCDHN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccnn1CCN(C)C ZINC000296790822 444254357 /nfs/dbraw/zinc/25/43/57/444254357.db2.gz FQTZVYGSGUEMET-LBPRGKRZSA-N 0 3 347.419 1.609 20 10 EDCDHN CN(C)c1ccc(C2=CCN(C[C@@H](O)CN3CCOCC3)C2)cc1 ZINC000364997221 445972922 /nfs/dbraw/zinc/97/29/22/445972922.db2.gz WUJQMTNVJAWJBL-IBGZPJMESA-N 0 3 331.460 1.145 20 10 EDCDHN COc1ccc(O)c(CNCc2cnc(-c3cnn(C)c3)nc2)c1 ZINC000366305437 446141564 /nfs/dbraw/zinc/14/15/64/446141564.db2.gz JDULZCDVVDFIHF-UHFFFAOYSA-N 0 3 325.372 1.881 20 10 EDCDHN C[C@@H]1C[C@H](NCc2ccc(N(C)C)cc2)C(=O)N1c1cnn(C)c1 ZINC000742392255 579450667 /nfs/dbraw/zinc/45/06/67/579450667.db2.gz OOIWRGZCNIVXFV-DYVFJYSZSA-N 0 3 327.432 1.770 20 10 EDCDHN CN(CCCCS(C)(=O)=O)Cc1ccc(N2CCOCC2)cc1 ZINC000759689521 580012128 /nfs/dbraw/zinc/01/21/28/580012128.db2.gz NCASYIYNVPEGIF-UHFFFAOYSA-N 0 3 340.489 1.780 20 10 EDCDHN C[N@@H+](Cc1ccccc1[O-])C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000731843024 578681142 /nfs/dbraw/zinc/68/11/42/578681142.db2.gz NRZXUIKEJUHKJS-AWEZNQCLSA-N 0 3 331.368 1.993 20 10 EDCDHN C[N@H+](Cc1ccccc1[O-])C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000731843024 578681143 /nfs/dbraw/zinc/68/11/43/578681143.db2.gz NRZXUIKEJUHKJS-AWEZNQCLSA-N 0 3 331.368 1.993 20 10 EDCDHN COCCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000777218573 580437497 /nfs/dbraw/zinc/43/74/97/580437497.db2.gz BRVGCMWRIYCJQZ-DZGCQCFKSA-N 0 3 345.823 1.964 20 10 EDCDHN CC(C)C[C@@H](N)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000746318058 579586891 /nfs/dbraw/zinc/58/68/91/579586891.db2.gz ZSCVJKBVUULAKO-MRXNPFEDSA-N 0 3 337.439 1.776 20 10 EDCDHN COc1ccc(N2CCN(C(=O)CN[C@@]3(C)CCO[C@@H]3C)CC2)cc1 ZINC000755167646 579921843 /nfs/dbraw/zinc/92/18/43/579921843.db2.gz DUOZUFVNFUVINT-BEFAXECRSA-N 0 3 347.459 1.501 20 10 EDCDHN COC(=O)c1cn([C@@H]2CCCN(Cc3c(O)cccc3OC)C2)nn1 ZINC000762795293 580083683 /nfs/dbraw/zinc/08/36/83/580083683.db2.gz SWYDUJWBLFUIFN-GFCCVEGCSA-N 0 3 346.387 1.616 20 10 EDCDHN COc1cc([O-])c(C[NH2+][C@@H](CCO)C2CCOCC2)cc1OC ZINC000764680137 580126345 /nfs/dbraw/zinc/12/63/45/580126345.db2.gz ZEIOKYXYCRWWMJ-AWEZNQCLSA-N 0 3 325.405 1.677 20 10 EDCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H](Cn3ccnn3)C1)[C@@H](O)CO2 ZINC000768463676 580213835 /nfs/dbraw/zinc/21/38/35/580213835.db2.gz VOPMXFJWEWZVAP-WBMJQRKESA-N 0 3 330.388 1.322 20 10 EDCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H](Cn3ccnn3)C1)[C@@H](O)CO2 ZINC000768463676 580213836 /nfs/dbraw/zinc/21/38/36/580213836.db2.gz VOPMXFJWEWZVAP-WBMJQRKESA-N 0 3 330.388 1.322 20 10 EDCDHN C[C@@H](NC[C@H](C)S(C)(=O)=O)c1ccc(N2CCOCC2)cc1 ZINC000773106133 580327216 /nfs/dbraw/zinc/32/72/16/580327216.db2.gz IQVZSNZLXQJOKP-UONOGXRCSA-N 0 3 326.462 1.607 20 10 EDCDHN CN1CCN(c2ccc(CN(CC(N)=O)C3CCCC3)cc2)CC1 ZINC000775649296 580396239 /nfs/dbraw/zinc/39/62/39/580396239.db2.gz NREDLJFFWGLINL-UHFFFAOYSA-N 0 3 330.476 1.668 20 10 EDCDHN CN1CCN(c2ccc(CN3CCN(CC(F)F)CC3)cc2)CC1 ZINC000775663855 580396626 /nfs/dbraw/zinc/39/66/26/580396626.db2.gz FMQGWDHWDMLKEH-UHFFFAOYSA-N 0 3 338.446 1.821 20 10 EDCDHN C[C@H](NC(=O)N(CCN(C)C)CCN(C)C)c1ccc(N(C)C)cc1 ZINC000776246159 580412661 /nfs/dbraw/zinc/41/26/61/580412661.db2.gz PDYJBPBZAHDPAK-INIZCTEOSA-N 0 3 349.523 1.948 20 10 EDCDHN CN(CCCN1CCN(C)CC1)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779483340 580486977 /nfs/dbraw/zinc/48/69/77/580486977.db2.gz FWJZIGAWMTUCCY-ALCCZGGFSA-N 0 3 333.432 1.207 20 10 EDCDHN Cc1cc(Br)c([O-])c(C[NH2+]C[C@](C)(O)CN(C)C)c1 ZINC000781635332 580553580 /nfs/dbraw/zinc/55/35/80/580553580.db2.gz GCSXJOLHWATCRR-AWEZNQCLSA-N 0 3 331.254 1.865 20 10 EDCDHN COC(=O)CC1(NCc2cc(C)ccc2O)CCS(=O)(=O)CC1 ZINC000784669982 580625917 /nfs/dbraw/zinc/62/59/17/580625917.db2.gz HEMXWHHUVMFGDG-UHFFFAOYSA-N 0 3 341.429 1.301 20 10 EDCDHN COC(=O)CC1([NH2+]Cc2cc(C)ccc2[O-])CCS(=O)(=O)CC1 ZINC000784669982 580625918 /nfs/dbraw/zinc/62/59/18/580625918.db2.gz HEMXWHHUVMFGDG-UHFFFAOYSA-N 0 3 341.429 1.301 20 10 EDCDHN CCn1cccc(CNCc2ccc(N3CCN(C)CC3)cc2)c1=O ZINC000788523866 580723412 /nfs/dbraw/zinc/72/34/12/580723412.db2.gz IIBHDGOJORRILX-UHFFFAOYSA-N 0 3 340.471 1.910 20 10 EDCDHN CN(C)c1ccc(CN(C)C(=O)CN2CC[C@H]3CN(C)C[C@@H]32)cc1 ZINC000794926601 580908312 /nfs/dbraw/zinc/90/83/12/580908312.db2.gz CNEOEYDLLRBDHT-WMZOPIPTSA-N 0 3 330.476 1.347 20 10 EDCDHN C[C@@H]1C[C@]2(CCO1)CN(Cc1cc3c(cc1O)OC[C@@H]3O)C[C@H](C)O2 ZINC000797418378 580975294 /nfs/dbraw/zinc/97/52/94/580975294.db2.gz RZZCQGYPNKNSDE-PBXUPMNYSA-N 0 3 349.427 1.976 20 10 EDCDHN CCOc1cccc(C[NH2+][C@@H]2CCC[C@H]2CNS(C)(=O)=O)c1[O-] ZINC000800309043 581050231 /nfs/dbraw/zinc/05/02/31/581050231.db2.gz BVEPTMGIQIXFEB-GXTWGEPZSA-N 0 3 342.461 1.598 20 10 EDCDHN Cc1cc([O-])c(C[NH2+][C@@H]2CCC[C@@H]2CNS(C)(=O)=O)cc1C ZINC000800309822 581050345 /nfs/dbraw/zinc/05/03/45/581050345.db2.gz SBWJZHYQCGRFEX-UKRRQHHQSA-N 0 3 326.462 1.817 20 10 EDCDHN Cc1ncc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)n1C ZINC000891245938 591015475 /nfs/dbraw/zinc/01/54/75/591015475.db2.gz KKOIIGZFVLSSLT-MRXNPFEDSA-N 0 3 329.448 1.827 20 10 EDCDHN COC(=O)[C@@H]1CC[C@@H]1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891245912 591015863 /nfs/dbraw/zinc/01/58/63/591015863.db2.gz KELXPODTCCVXQB-BBWFWOEESA-N 0 3 347.459 1.671 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)c2cc3n(n2)CCC3)N(C)C)cc1 ZINC000891248448 591017288 /nfs/dbraw/zinc/01/72/88/591017288.db2.gz MTSRVQNNQDDEJI-SFHVURJKSA-N 0 3 341.459 1.928 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)Cc2cnn(C)c2)N(C)C)cc1 ZINC000891253382 591021065 /nfs/dbraw/zinc/02/10/65/591021065.db2.gz RZIUFRQACGBUTR-KRWDZBQOSA-N 0 3 329.448 1.448 20 10 EDCDHN CCCNC(=O)CCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891254524 591021781 /nfs/dbraw/zinc/02/17/81/591021781.db2.gz YVHVTVZQXWNAJH-KRWDZBQOSA-N 0 3 348.491 1.778 20 10 EDCDHN COC(=O)N(C)CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891256244 591022332 /nfs/dbraw/zinc/02/23/32/591022332.db2.gz WEUKFDJXXKSZQN-HNNXBMFYSA-N 0 3 336.436 1.170 20 10 EDCDHN COc1ccc(CN2CCN(CC(C)(C)O)C[C@@H]2C)c(O)c1OC ZINC000893859467 591118872 /nfs/dbraw/zinc/11/88/72/591118872.db2.gz NVBCZJGSAALHRG-ZDUSSCGKSA-N 0 3 338.448 1.686 20 10 EDCDHN COc1cc(C)cc(C[N@H+](C)C2CCN(S(C)(=O)=O)CC2)c1[O-] ZINC000894092994 591190703 /nfs/dbraw/zinc/19/07/03/591190703.db2.gz ASRHWNDMCLDAJA-UHFFFAOYSA-N 0 3 342.461 1.565 20 10 EDCDHN COc1cc(C)cc(C[N@@H+](C)C2CCN(S(C)(=O)=O)CC2)c1[O-] ZINC000894092994 591190706 /nfs/dbraw/zinc/19/07/06/591190706.db2.gz ASRHWNDMCLDAJA-UHFFFAOYSA-N 0 3 342.461 1.565 20 10 EDCDHN COc1cc(C)cc(CN[C@H]2CCN(CC(F)(F)F)C2=O)c1O ZINC000894253133 591248842 /nfs/dbraw/zinc/24/88/42/591248842.db2.gz XKJOWQWXXLORCN-NSHDSACASA-N 0 3 332.322 1.962 20 10 EDCDHN COC(=O)N[C@H]1CCN(Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000895848387 591287389 /nfs/dbraw/zinc/28/73/89/591287389.db2.gz MXFVGFQDLMZDFP-INIZCTEOSA-N 0 3 332.448 1.369 20 10 EDCDHN COc1ccc(CN[C@@H]2COc3ccccc3[C@H]2O)c(O)c1OC ZINC000894526811 591333191 /nfs/dbraw/zinc/33/31/91/591333191.db2.gz HPQKXUNMJCQCIZ-CXAGYDPISA-N 0 3 331.368 1.994 20 10 EDCDHN COc1cc(O)c(CN2CCC(N3CN=NC3=O)CC2)cc1OC ZINC000894609515 591360737 /nfs/dbraw/zinc/36/07/37/591360737.db2.gz YLRLRKIDPGLSAB-UHFFFAOYSA-N 0 3 334.376 1.544 20 10 EDCDHN COc1cc(C)cc(C[NH2+][C@H]2CCC[C@H]2CNS(C)(=O)=O)c1[O-] ZINC000894671768 591382717 /nfs/dbraw/zinc/38/27/17/591382717.db2.gz CJZKDIMGIDZGSV-JSGCOSHPSA-N 0 3 342.461 1.517 20 10 EDCDHN COc1c(N)ncnc1NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000897522713 591523274 /nfs/dbraw/zinc/52/32/74/591523274.db2.gz NTJCAQGZOZOESE-AWEZNQCLSA-N 0 3 330.436 1.848 20 10 EDCDHN COc1cc(Cl)cc(C[NH2+]C[C@@]2(OC)CCS(=O)(=O)C2)c1[O-] ZINC000896685592 591575043 /nfs/dbraw/zinc/57/50/43/591575043.db2.gz LGEDHAFCKGMAMO-AWEZNQCLSA-N 0 3 349.836 1.348 20 10 EDCDHN COc1cc(Cl)cc(CN2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)c1O ZINC000897618636 591589376 /nfs/dbraw/zinc/58/93/76/591589376.db2.gz IFICQSKCZRAJNA-PHIMTYICSA-N 0 3 331.821 1.531 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)N(C)CC2(CO)CC2)N(C)C)cc1 ZINC000899103605 591683287 /nfs/dbraw/zinc/68/32/87/591683287.db2.gz NGPRMMNJKSKVDF-QGZVFWFLSA-N 0 3 348.491 1.769 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)N2CCC[C@H](O)C2)N(C)C)cc1 ZINC000899102964 591683600 /nfs/dbraw/zinc/68/36/00/591683600.db2.gz TUXUZEAWZKMDRF-IRXDYDNUSA-N 0 3 334.464 1.522 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)N[C@H](CO)CC2CC2)N(C)C)cc1 ZINC000899104680 591684323 /nfs/dbraw/zinc/68/43/23/591684323.db2.gz SBBIHSVSIHCWDH-WMZOPIPTSA-N 0 3 348.491 1.816 20 10 EDCDHN COc1cc(C)cc(CNCCS(=O)(=O)N2CCCC2)c1O ZINC000897826425 591684815 /nfs/dbraw/zinc/68/48/15/591684815.db2.gz JAMABFNLBSIUPO-UHFFFAOYSA-N 0 3 328.434 1.224 20 10 EDCDHN CN(C)c1ccc([C@@H](CN2C(=O)CN(C3CC3)C2=O)N(C)C)cc1 ZINC000900185734 591933181 /nfs/dbraw/zinc/93/31/81/591933181.db2.gz RIVNXTAINODXLO-MRXNPFEDSA-N 0 3 330.432 1.782 20 10 EDCDHN Cc1noc(C[C@H]2CCC[N@H+](Cc3cc4c(cc3[O-])OC[C@@H]4O)C2)n1 ZINC000902583355 592019455 /nfs/dbraw/zinc/01/94/55/592019455.db2.gz CEPJPNJYOIIXES-WBMJQRKESA-N 0 3 345.399 1.964 20 10 EDCDHN Cc1noc(C[C@H]2CCC[N@@H+](Cc3cc4c(cc3[O-])OC[C@@H]4O)C2)n1 ZINC000902583355 592019457 /nfs/dbraw/zinc/01/94/57/592019457.db2.gz CEPJPNJYOIIXES-WBMJQRKESA-N 0 3 345.399 1.964 20 10 EDCDHN O[C@H](CNCc1ccc(N2CCC(O)CC2)cc1)C1(O)CCCC1 ZINC000905382877 592513570 /nfs/dbraw/zinc/51/35/70/592513570.db2.gz RZCWHXSHUGAGNH-GOSISDBHSA-N 0 3 334.460 1.403 20 10 EDCDHN CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000807678396 593190198 /nfs/dbraw/zinc/19/01/98/593190198.db2.gz WUCGWACVHWESMR-RHSMWYFYSA-N 0 3 346.475 1.530 20 10 EDCDHN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H]1CN2CCN1CCC2 ZINC000839919292 593213460 /nfs/dbraw/zinc/21/34/60/593213460.db2.gz GMHQRWBGYRDKBM-QFBILLFUSA-N 0 3 344.503 1.498 20 10 EDCDHN COc1cccc([O-])c1C[NH2+]CC(C)(C)[C@H]1COCC12OCCO2 ZINC000839177088 593271126 /nfs/dbraw/zinc/27/11/26/593271126.db2.gz UQTZVKSXJXEXMD-MRXNPFEDSA-N 0 3 337.416 1.906 20 10 EDCDHN CCN(CC)c1ccc(CN(C)C(=O)C(=O)N(C)CCN(C)C)cc1 ZINC000839221924 593278282 /nfs/dbraw/zinc/27/82/82/593278282.db2.gz DZQVWQLZIIZYHH-UHFFFAOYSA-N 0 3 348.491 1.511 20 10 EDCDHN CCOc1ccc(C[N@@H+]2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)c([O-])c1 ZINC000809705096 593356041 /nfs/dbraw/zinc/35/60/41/593356041.db2.gz NZWTXOGTHRLNNY-UGSOOPFHSA-N 0 3 347.415 1.744 20 10 EDCDHN CCOc1ccc(C[N@H+]2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)c([O-])c1 ZINC000809705096 593356042 /nfs/dbraw/zinc/35/60/42/593356042.db2.gz NZWTXOGTHRLNNY-UGSOOPFHSA-N 0 3 347.415 1.744 20 10 EDCDHN CCS(=O)(=O)N1CCC(C[NH2+]Cc2cc(F)ccc2[O-])CC1 ZINC000758056739 593392045 /nfs/dbraw/zinc/39/20/45/593392045.db2.gz PIQNWDWFZHWCFV-UHFFFAOYSA-N 0 3 330.425 1.683 20 10 EDCDHN COc1cc(Cl)cc(C[NH2+]CCCn2cc(CO)nn2)c1[O-] ZINC000811511951 593472436 /nfs/dbraw/zinc/47/24/36/593472436.db2.gz YHUXENSIFMFBHE-UHFFFAOYSA-N 0 3 326.784 1.318 20 10 EDCDHN CCOC(=O)[C@@H]1NCC[C@@H]1N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000817892092 593645949 /nfs/dbraw/zinc/64/59/49/593645949.db2.gz QNDZIKVTGYHPOB-JCGIZDLHSA-N 0 3 347.459 1.467 20 10 EDCDHN COc1ccc(N2CCN(C[C@H](O)CNCc3ccoc3)CC2)cc1 ZINC000818974488 593731510 /nfs/dbraw/zinc/73/15/10/593731510.db2.gz AZGRXRBVJKZTHF-GOSISDBHSA-N 0 3 345.443 1.561 20 10 EDCDHN CCOC(=O)[C@H]1CN(Cc2cc3c(cc2O)OCO3)CC12COC2 ZINC000824490012 594023791 /nfs/dbraw/zinc/02/37/91/594023791.db2.gz SHHVYJUMQJIJNG-GFCCVEGCSA-N 0 3 335.356 1.132 20 10 EDCDHN CS[C@H]1CC[C@@H]1NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000822455348 594051316 /nfs/dbraw/zinc/05/13/16/594051316.db2.gz DLJXVVAMABXUOC-HOTGVXAUSA-N 0 3 340.514 1.905 20 10 EDCDHN O=C1CCC2=C(CCN(Cc3ccc(N4CCOCC4)cc3)C2)N1 ZINC000826781176 594574317 /nfs/dbraw/zinc/57/43/17/594574317.db2.gz XHDUOOIKVGINHB-UHFFFAOYSA-N 0 3 327.428 1.893 20 10 EDCDHN N[C@@H](CC(F)F)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000827369838 594665764 /nfs/dbraw/zinc/66/57/64/594665764.db2.gz PARJIJSXFCZGEI-ZDUSSCGKSA-N 0 3 345.365 1.386 20 10 EDCDHN O=C(NCc1ccc(N2CCN(CC3CC3)CC2)cc1)[C@H](O)C1CC1 ZINC000831560799 594683405 /nfs/dbraw/zinc/68/34/05/594683405.db2.gz FNPSXQSAMKUCLE-LJQANCHMSA-N 0 3 343.471 1.606 20 10 EDCDHN COc1ccc(CNC(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)c(O)c1 ZINC000832178667 594732831 /nfs/dbraw/zinc/73/28/31/594732831.db2.gz VTTHLNXLDNBMMA-DDUZABMNSA-N 0 3 334.416 1.550 20 10 EDCDHN CC(C)[C@H](C(=O)NC[C@H](N)c1ccc(N(C)C)cc1)N1CCCC1=O ZINC000832279625 594739939 /nfs/dbraw/zinc/73/99/39/594739939.db2.gz KYOTZQKCOOHKGO-FUHWJXTLSA-N 0 3 346.475 1.516 20 10 EDCDHN COC(=O)c1coc(C(=O)NC[C@H](N)c2ccc(N(C)C)cc2)c1 ZINC000832285452 594740346 /nfs/dbraw/zinc/74/03/46/594740346.db2.gz QPPHYEWZUQRTSR-AWEZNQCLSA-N 0 3 331.372 1.562 20 10 EDCDHN COCCn1ccc(C(=O)NC[C@H](N)c2ccc(N(C)C)cc2)n1 ZINC000832286409 594740361 /nfs/dbraw/zinc/74/03/61/594740361.db2.gz ZRMBGJPLRGMNHY-HNNXBMFYSA-N 0 3 331.420 1.025 20 10 EDCDHN COc1cc(Br)cc(CN2CCCO[C@@H](C[NH3+])C2)c1[O-] ZINC000841101555 594851222 /nfs/dbraw/zinc/85/12/22/594851222.db2.gz YINNAVNLRJLWSW-LBPRGKRZSA-N 0 3 345.237 1.713 20 10 EDCDHN Cc1cc(Br)c([O-])c(CN2CCC(O)(C[NH3+])CC2)c1 ZINC000841108385 594852060 /nfs/dbraw/zinc/85/20/60/594852060.db2.gz YGBVIMWCTXFPJY-UHFFFAOYSA-N 0 3 329.238 1.749 20 10 EDCDHN [NH3+][C@@H](CNC(=O)NCc1cc(Br)ccc1[O-])C1CC1 ZINC000841964863 594990874 /nfs/dbraw/zinc/99/08/74/594990874.db2.gz ASMSHFFBIIGEPH-NSHDSACASA-N 0 3 328.210 1.691 20 10 EDCDHN CCCC[C@@H](CN)NC(=O)C(=O)N(CCC)Cc1ccccc1O ZINC000842267498 595060836 /nfs/dbraw/zinc/06/08/36/595060836.db2.gz PFBCFOZJHLMKMR-HNNXBMFYSA-N 0 3 335.448 1.765 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNC(=O)CCC(=O)NC2CCCC2)cc1 ZINC000843296617 595065650 /nfs/dbraw/zinc/06/56/50/595065650.db2.gz BLPVLMHZZWCLRJ-QGZVFWFLSA-N 0 3 346.475 1.708 20 10 EDCDHN Cc1cc([O-])c(CN2CN(CC[NH+](C)C)C(=O)[C@@H]2C)c(Cl)c1 ZINC000843428268 595108319 /nfs/dbraw/zinc/10/83/19/595108319.db2.gz GZFWZGREXWXWJJ-LBPRGKRZSA-N 0 3 325.840 1.906 20 10 EDCDHN COCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cccc(OC)c1[O-])CC2 ZINC000846153817 595159291 /nfs/dbraw/zinc/15/92/91/595159291.db2.gz KYPZBIFFMGCKOM-VXGBXAGGSA-N 0 3 332.404 1.804 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN(CC)[C@H]1CCCOC1)cc2=O ZINC000844403196 595338130 /nfs/dbraw/zinc/33/81/30/595338130.db2.gz DIQSMFDQGBMRQZ-ZDUSSCGKSA-N 0 3 348.403 1.613 20 10 EDCDHN CCc1cccc(C[NH2+]CCCN2CCC[C@@H]2C(=O)N(C)C)c1[O-] ZINC000848894070 595464138 /nfs/dbraw/zinc/46/41/38/595464138.db2.gz GCCGZFUDLLHCRU-QGZVFWFLSA-N 0 3 333.476 1.987 20 10 EDCDHN CC(=O)N[C@@H](CCC(C)C)C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1 ZINC000852792013 595545013 /nfs/dbraw/zinc/54/50/13/595545013.db2.gz OXEMRKCKDLVFJR-MSOLQXFVSA-N 0 3 348.491 1.810 20 10 EDCDHN O[C@@H](CNCc1ccc(N2CCC(O)CC2)cc1)c1ccccn1 ZINC000853122675 595672187 /nfs/dbraw/zinc/67/21/87/595672187.db2.gz SGNKVBHVIBDZEE-IBGZPJMESA-N 0 3 327.428 1.866 20 10 EDCDHN COCCn1cc(CNCc2ccc(N3CCC(O)CC3)cc2)cn1 ZINC000850405943 595829067 /nfs/dbraw/zinc/82/90/67/595829067.db2.gz LJRPDXKFDLETMG-UHFFFAOYSA-N 0 3 344.459 1.780 20 10 EDCDHN COc1cc(O)c(CN2CCC(N3CCOC3=O)CC2)cc1OC ZINC000853609223 595830460 /nfs/dbraw/zinc/83/04/60/595830460.db2.gz DRQSWESSYBDRTI-UHFFFAOYSA-N 0 3 336.388 1.826 20 10 EDCDHN O=S1(=O)CCN(c2ccc(CNc3ccnc(CO)c3)cc2)CC1 ZINC000858623296 595848055 /nfs/dbraw/zinc/84/80/55/595848055.db2.gz HYVDXZDPSUYXMK-UHFFFAOYSA-N 0 3 347.440 1.421 20 10 EDCDHN CN(C)c1ccc(CN(C)C(=O)CNC2(CCO)CCCC2)cc1 ZINC000852117784 596049675 /nfs/dbraw/zinc/04/96/75/596049675.db2.gz RZVXVNRLHCNIEL-UHFFFAOYSA-N 0 3 333.476 1.996 20 10 EDCDHN CC[N@@H+](Cc1cc(Br)ccc1[O-])C[C@H]1CNCCO1 ZINC000852747187 596237587 /nfs/dbraw/zinc/23/75/87/596237587.db2.gz YQYRRTFTTIPCMU-CYBMUJFWSA-N 0 3 329.238 1.965 20 10 EDCDHN CC[N@H+](Cc1cc(Br)ccc1[O-])C[C@H]1CNCCO1 ZINC000852747187 596237588 /nfs/dbraw/zinc/23/75/88/596237588.db2.gz YQYRRTFTTIPCMU-CYBMUJFWSA-N 0 3 329.238 1.965 20 10 EDCDHN Cc1ccc(O)c(CNC(=O)[C@@H]2CCN(C)C[C@@H]2c2cnn(C)c2)c1 ZINC000862754313 596405046 /nfs/dbraw/zinc/40/50/46/596405046.db2.gz XLABVOUEJIPQFT-IAGOWNOFSA-N 0 3 342.443 1.786 20 10 EDCDHN CN(C)c1ccc(/C=C\CNC[C@]23COC(=O)N2CCOC3)cc1 ZINC000865770365 596676562 /nfs/dbraw/zinc/67/65/62/596676562.db2.gz KOMDLFHQDKGDDS-JXCVUKRWSA-N 0 3 331.416 1.577 20 10 EDCDHN COc1ccc(N2CCN(C(=O)C3CCN(C)CC3)CC2)c(OC)c1 ZINC000870163836 596782475 /nfs/dbraw/zinc/78/24/75/596782475.db2.gz HYFWTIBYJQHNJL-UHFFFAOYSA-N 0 3 347.459 1.694 20 10 EDCDHN COc1ccc(CN[C@@H]2CCC(=O)N(C)C2=O)cc1Cn1cccn1 ZINC000873134079 597207094 /nfs/dbraw/zinc/20/70/94/597207094.db2.gz NJBDBKCJZQRGOD-OAHLLOKOSA-N 0 3 342.399 1.177 20 10 EDCDHN CN(CCN1CCCC1=O)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876721093 597305253 /nfs/dbraw/zinc/30/52/53/597305253.db2.gz FXDICJYTEKSFSJ-UHFFFAOYSA-N 0 3 331.460 1.702 20 10 EDCDHN C[C@@H](NC(=O)N[C@H]1CCN(CC(C)(C)O)C1)c1ccc(N(C)C)cc1 ZINC000875507085 597456989 /nfs/dbraw/zinc/45/69/89/597456989.db2.gz AIDPGNPNECNJHA-ZBFHGGJFSA-N 0 3 348.491 1.958 20 10 EDCDHN C[C@H](NCc1ccc(N2CCC(O)CC2)cc1)C(=O)N1CCCC1 ZINC000877496980 597525083 /nfs/dbraw/zinc/52/50/83/597525083.db2.gz AQAVGOXXAMEBSK-HNNXBMFYSA-N 0 3 331.460 1.748 20 10 EDCDHN CCN(CC)c1ccc(CN2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)cc1F ZINC000877719977 597550935 /nfs/dbraw/zinc/55/09/35/597550935.db2.gz HJSMOPMTUAEFKZ-OKILXGFUSA-N 0 3 333.407 1.719 20 10 EDCDHN COc1nccnc1CNCc1ccc(N2CCN(C)CC2)cc1 ZINC000883283528 597699828 /nfs/dbraw/zinc/69/98/28/597699828.db2.gz ISXYJBCSYMVEGV-UHFFFAOYSA-N 0 3 327.432 1.527 20 10 EDCDHN COC1CCN(c2ccc(CN3CCN(C)C[C@@H]3CO)cc2)CC1 ZINC000879001153 597781129 /nfs/dbraw/zinc/78/11/29/597781129.db2.gz RBACTVBIOLTFKU-GOSISDBHSA-N 0 3 333.476 1.410 20 10 EDCDHN CCOc1ccc([O-])c(C[N@H+](C)C2CCN(S(C)(=O)=O)CC2)c1 ZINC000091963989 237011658 /nfs/dbraw/zinc/01/16/58/237011658.db2.gz PIUXWIDKEWMPFI-UHFFFAOYSA-N 0 3 342.461 1.647 20 10 EDCDHN CCOc1ccc([O-])c(C[N@@H+](C)C2CCN(S(C)(=O)=O)CC2)c1 ZINC000091963989 237011667 /nfs/dbraw/zinc/01/16/67/237011667.db2.gz PIUXWIDKEWMPFI-UHFFFAOYSA-N 0 3 342.461 1.647 20 10 EDCDHN CN(C)C[C@@](C)(O)CNC(=O)NCc1ccc2c(c1)CCCN2C ZINC000124207041 237146724 /nfs/dbraw/zinc/14/67/24/237146724.db2.gz CESJLSZKALQZOK-SFHVURJKSA-N 0 3 334.464 1.181 20 10 EDCDHN Cc1noc([C@]2(O)CCN(Cc3ccc(N4CCOCC4)cc3)C2)n1 ZINC000368583562 250200150 /nfs/dbraw/zinc/20/01/50/250200150.db2.gz JKXBXXQHOSUACN-SFHVURJKSA-N 0 3 344.415 1.308 20 10 EDCDHN COC[C@@H](C)OC[C@@H](O)CN1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000373909327 250247947 /nfs/dbraw/zinc/24/79/47/250247947.db2.gz FNWZXISMWYUUID-BEFAXECRSA-N 0 3 334.460 1.864 20 10 EDCDHN C[C@H]([NH2+][C@@H]1CCCN(CCN2CCOCC2)C1=O)c1ccccc1[O-] ZINC000378632909 447448153 /nfs/dbraw/zinc/44/81/53/447448153.db2.gz NHLGQAUEXICLPT-DOTOQJQBSA-N 0 3 347.459 1.366 20 10 EDCDHN O=S(=O)(CC[NH2+]Cc1cc(F)ccc1[O-])NCc1ccccc1 ZINC000180533725 442618297 /nfs/dbraw/zinc/61/82/97/442618297.db2.gz ONRPCMNOSLSYTQ-UHFFFAOYSA-N 0 3 338.404 1.741 20 10 EDCDHN COc1cc(O)c(CN(C)CCN2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000193399787 442739068 /nfs/dbraw/zinc/73/90/68/442739068.db2.gz MTIAUBGTCIMDQO-OKILXGFUSA-N 0 3 338.448 1.950 20 10 EDCDHN CN1CCC(O)(C[NH2+]Cc2cc(Br)ccc2[O-])CC1 ZINC000265880673 442956211 /nfs/dbraw/zinc/95/62/11/442956211.db2.gz OGDPPBOQMZINER-UHFFFAOYSA-N 0 3 329.238 1.701 20 10 EDCDHN CC[C@H](N)C(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000269292923 443270391 /nfs/dbraw/zinc/27/03/91/443270391.db2.gz MAFZISRAMIYFNF-KRWDZBQOSA-N 0 3 334.464 1.061 20 10 EDCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CC(=O)N(CCN3CCOCC3)C2)c1 ZINC000186063507 443305247 /nfs/dbraw/zinc/30/52/47/443305247.db2.gz MFJYQTFVUSEQGZ-CVEARBPZSA-N 0 3 347.459 1.284 20 10 EDCDHN CCOc1ccc(O)c(CN2CCC[C@H](CNS(C)(=O)=O)C2)c1 ZINC000269496882 443326891 /nfs/dbraw/zinc/32/68/91/443326891.db2.gz PRXJATYATHQOLE-CYBMUJFWSA-N 0 3 342.461 1.552 20 10 EDCDHN CN(C)c1ccc(CNC(=O)CN2CC[C@H](N3CCCCC3)C2)cc1 ZINC000264581446 443335197 /nfs/dbraw/zinc/33/51/97/443335197.db2.gz JPYLGNPCDYSSLP-IBGZPJMESA-N 0 3 344.503 1.929 20 10 EDCDHN COc1c([O-])c(C[NH2+]C[C@@H](O)CN2CCCCC2)ccc1[N+](=O)[O-] ZINC000278566872 443363835 /nfs/dbraw/zinc/36/38/35/443363835.db2.gz CAPVMQGDDKFQRJ-CYBMUJFWSA-N 0 3 339.392 1.245 20 10 EDCDHN COc1c([O-])c(CNC[C@@H](O)C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000278566872 443363838 /nfs/dbraw/zinc/36/38/38/443363838.db2.gz CAPVMQGDDKFQRJ-CYBMUJFWSA-N 0 3 339.392 1.245 20 10 EDCDHN COc1ccc(O)c(CN(C)C[C@H](O)COCCOC(C)C)c1 ZINC000271738654 443511918 /nfs/dbraw/zinc/51/19/18/443511918.db2.gz PWCGAYWYEXWEFA-HNNXBMFYSA-N 0 3 327.421 1.635 20 10 EDCDHN COc1ccc([O-])c(C[N@H+](C)C[C@H](O)COCCOC(C)C)c1 ZINC000271738654 443511920 /nfs/dbraw/zinc/51/19/20/443511920.db2.gz PWCGAYWYEXWEFA-HNNXBMFYSA-N 0 3 327.421 1.635 20 10 EDCDHN COc1ccc([O-])c(C[N@@H+](C)C[C@H](O)COCCOC(C)C)c1 ZINC000271738654 443511923 /nfs/dbraw/zinc/51/19/23/443511923.db2.gz PWCGAYWYEXWEFA-HNNXBMFYSA-N 0 3 327.421 1.635 20 10 EDCDHN Cc1cc(Cl)cc(C[N@H+](C)C[C@H](O)CN2CCOCC2)c1[O-] ZINC000271747945 443511958 /nfs/dbraw/zinc/51/19/58/443511958.db2.gz BGMFYKUXSNZFHR-HNNXBMFYSA-N 0 3 328.840 1.479 20 10 EDCDHN Cc1cc(Cl)cc(C[N@@H+](C)C[C@H](O)CN2CCOCC2)c1[O-] ZINC000271747945 443511961 /nfs/dbraw/zinc/51/19/61/443511961.db2.gz BGMFYKUXSNZFHR-HNNXBMFYSA-N 0 3 328.840 1.479 20 10 EDCDHN CCCOc1ccc(C[N@@H+]2CCC[C@@H](CS(N)(=O)=O)C2)c([O-])c1 ZINC000271213316 443496021 /nfs/dbraw/zinc/49/60/21/443496021.db2.gz YWVFLMCWGOLMEM-CYBMUJFWSA-N 0 3 342.461 1.682 20 10 EDCDHN CCCOc1ccc(C[N@H+]2CCC[C@@H](CS(N)(=O)=O)C2)c([O-])c1 ZINC000271213316 443496025 /nfs/dbraw/zinc/49/60/25/443496025.db2.gz YWVFLMCWGOLMEM-CYBMUJFWSA-N 0 3 342.461 1.682 20 10 EDCDHN CCCOc1ccc(C[N@@H+]2CC[C@@](O)(c3nc(C)no3)C2)c([O-])c1 ZINC000290303493 444264559 /nfs/dbraw/zinc/26/45/59/444264559.db2.gz BMYXQGCIKWIRMS-KRWDZBQOSA-N 0 3 333.388 1.966 20 10 EDCDHN CCCOc1ccc(C[N@H+]2CC[C@@](O)(c3nc(C)no3)C2)c([O-])c1 ZINC000290303493 444264561 /nfs/dbraw/zinc/26/45/61/444264561.db2.gz BMYXQGCIKWIRMS-KRWDZBQOSA-N 0 3 333.388 1.966 20 10 EDCDHN Oc1cc2c(cc1CN1CCC([C@@H](O)c3ncc[nH]3)CC1)OCO2 ZINC000369139802 445949417 /nfs/dbraw/zinc/94/94/17/445949417.db2.gz LGJZJFHOPPWYHF-MRXNPFEDSA-N 0 3 331.372 1.790 20 10 EDCDHN COc1cc([O-])c(C[NH2+]C[C@@H]2CCCN2c2cccnn2)cc1OC ZINC000362232544 446277012 /nfs/dbraw/zinc/27/70/12/446277012.db2.gz CLNUPWLJRGGDHC-AWEZNQCLSA-N 0 3 344.415 1.958 20 10 EDCDHN Cc1cc(O)c(CN2CCO[C@@H](CN3CCN(C)CC3)C2)cc1C ZINC000371381896 446821846 /nfs/dbraw/zinc/82/18/46/446821846.db2.gz GNPVGFSECBDDER-SFHVURJKSA-N 0 3 333.476 1.457 20 10 EDCDHN NS(=O)(=O)C1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000369052216 447291266 /nfs/dbraw/zinc/29/12/66/447291266.db2.gz UFEYPARVZKMVOX-UHFFFAOYSA-N 0 3 337.489 1.930 20 10 EDCDHN COc1ccc(CNC[C@]2(CO)COCC3(CCC3)N2C)cc1C ZINC000527752405 448352405 /nfs/dbraw/zinc/35/24/05/448352405.db2.gz GHHJJNJSXQWMLC-IBGZPJMESA-N 0 3 334.460 1.709 20 10 EDCDHN CN(C)c1ccc(CN(CCCS(=O)(=O)N(C)C)C2CC2)cc1 ZINC000728688123 578550571 /nfs/dbraw/zinc/55/05/71/578550571.db2.gz IKOXMWCDLANZLY-UHFFFAOYSA-N 0 3 339.505 1.999 20 10 EDCDHN COC(=O)c1cn([C@@H]2CCN(Cc3cc(C)cc(OC)c3O)C2)nn1 ZINC000760540349 580033250 /nfs/dbraw/zinc/03/32/50/580033250.db2.gz IGBXNAQYTUCPJO-CYBMUJFWSA-N 0 3 346.387 1.534 20 10 EDCDHN COc1cc(C)cc(CN2CCCC[C@H]2CNS(C)(=O)=O)c1O ZINC000754725721 579910217 /nfs/dbraw/zinc/91/02/17/579910217.db2.gz AHJUNEQGJMTEIZ-AWEZNQCLSA-N 0 3 342.461 1.613 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@]1(C)CCO[C@@H]1C)cc2=O ZINC000755166969 579921776 /nfs/dbraw/zinc/92/17/76/579921776.db2.gz BTKYCOVOODHJRR-QLJPJBMISA-N 0 3 334.376 1.269 20 10 EDCDHN CCOc1ccc(CN2CCC(NS(C)(=O)=O)CC2)c(O)c1 ZINC000768229851 580209420 /nfs/dbraw/zinc/20/94/20/580209420.db2.gz NRGSZDLMHBWBKC-UHFFFAOYSA-N 0 3 328.434 1.305 20 10 EDCDHN CCOc1ccc(CN2CCN(C(=O)[C@H]3CCCN3C)CC2)c(O)c1 ZINC000769532753 580239378 /nfs/dbraw/zinc/23/93/78/580239378.db2.gz MJSGIILRFWCMDK-QGZVFWFLSA-N 0 3 347.459 1.529 20 10 EDCDHN C[C@H](Cn1cccn1)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000769541247 580239657 /nfs/dbraw/zinc/23/96/57/580239657.db2.gz RZNQWSOVNCTAAX-NVXWUHKLSA-N 0 3 341.459 1.763 20 10 EDCDHN Cc1ccc(CNCc2ccc(N3CCN(C)CC3)cc2)c(=O)n1C ZINC000785521557 580646497 /nfs/dbraw/zinc/64/64/97/580646497.db2.gz LFLXHJAWSYTYRW-UHFFFAOYSA-N 0 3 340.471 1.735 20 10 EDCDHN COc1ccc(N2CCN(C(=O)CN[C@H]3CSC[C@@H]3C)CC2)cc1 ZINC000796403524 580953211 /nfs/dbraw/zinc/95/32/11/580953211.db2.gz SUYLMYZLXWUOPL-YOEHRIQHSA-N 0 3 349.500 1.685 20 10 EDCDHN COc1ccc(CNC(=O)Nc2cnn(CCN(C)C)c2)c(O)c1 ZINC000797632036 580978528 /nfs/dbraw/zinc/97/85/28/580978528.db2.gz UEKISPJFWOANSJ-UHFFFAOYSA-N 0 3 333.392 1.481 20 10 EDCDHN COc1ccc(C[NH2+]CCCOC[C@@H]2CCOC2)c([O-])c1OC ZINC000893037945 590629883 /nfs/dbraw/zinc/62/98/83/590629883.db2.gz OPFYFKHIXBZMAC-ZDUSSCGKSA-N 0 3 325.405 1.942 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)/C=C\Cn2cncn2)N(C)C)cc1 ZINC000891245954 591015428 /nfs/dbraw/zinc/01/54/28/591015428.db2.gz KPOBXKFBBXGIOH-KEGWNNHHSA-N 0 3 342.447 1.319 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)[C@H]2C[C@]23CCOC3)N(C)C)cc1 ZINC000891246782 591015908 /nfs/dbraw/zinc/01/59/08/591015908.db2.gz DLIHGSNEOIXDLF-AOIWGVFYSA-N 0 3 331.460 1.898 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)CCc2ncc[nH]2)N(C)C)cc1 ZINC000891248334 591017192 /nfs/dbraw/zinc/01/71/92/591017192.db2.gz KTTRZFLFDMEIRS-INIZCTEOSA-N 0 3 329.448 1.827 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)/C=C/c2ccncn2)N(C)C)cc1 ZINC000891248391 591017317 /nfs/dbraw/zinc/01/73/17/591017317.db2.gz LIGBYXARAVZONS-RUJXFNLJSA-N 0 3 339.443 1.975 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)C2=NN(C)C(=O)CC2)N(C)C)cc1 ZINC000891255999 591021710 /nfs/dbraw/zinc/02/17/10/591021710.db2.gz VBTQGTNCJHUPHY-MRXNPFEDSA-N 0 3 345.447 1.080 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)CN2CCCC2=O)N(C)C)cc1 ZINC000891256549 591022226 /nfs/dbraw/zinc/02/22/26/591022226.db2.gz ZOQZRQYOHCQJFT-INIZCTEOSA-N 0 3 332.448 1.094 20 10 EDCDHN COc1ccc(CN2CCC[C@H]2CN2CCOCC2)c(O)c1OC ZINC000891748328 591209567 /nfs/dbraw/zinc/20/95/67/591209567.db2.gz OMSYUDWGCZSIRG-HNNXBMFYSA-N 0 3 336.432 1.706 20 10 EDCDHN COc1nccnc1CNC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898449589 591352768 /nfs/dbraw/zinc/35/27/68/591352768.db2.gz HWIOAQXHVRVYQS-KRWDZBQOSA-N 0 3 329.448 1.944 20 10 EDCDHN COc1ccc(C[NH2+][C@H](C2CC2)[C@@]2(CO)CCCO2)c([O-])c1OC ZINC000894647216 591378003 /nfs/dbraw/zinc/37/80/03/591378003.db2.gz AYFZWEHHZLCEQK-MSOLQXFVSA-N 0 3 337.416 1.819 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)NC[C@@H]2COCO2)N(C)C)cc1 ZINC000896194579 591386248 /nfs/dbraw/zinc/38/62/48/591386248.db2.gz DKQGZZBIRVUDTN-CVEARBPZSA-N 0 3 336.436 1.027 20 10 EDCDHN CC[C@H](CO)N(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899098437 591688058 /nfs/dbraw/zinc/68/80/58/591688058.db2.gz OBJGZYLCTFQDEG-NVXWUHKLSA-N 0 3 336.480 1.768 20 10 EDCDHN COC[C@H]([NH2+]Cc1ccc(OC)c(OC)c1[O-])C1CCOCC1 ZINC000895318155 591711197 /nfs/dbraw/zinc/71/11/97/591711197.db2.gz BWAUAVRUGZHXJR-AWEZNQCLSA-N 0 3 325.405 1.941 20 10 EDCDHN CCOc1cccc(C[NH+]2CCC3(CC2)C[C@@H](O)CNC3=O)c1[O-] ZINC000897039675 591718635 /nfs/dbraw/zinc/71/86/35/591718635.db2.gz BJYJPYAUWPMBBP-CQSZACIVSA-N 0 3 334.416 1.254 20 10 EDCDHN C[C@](O)(CNCc1cc(F)c(N2CCOCC2)c(F)c1)C(F)F ZINC000905285538 592492194 /nfs/dbraw/zinc/49/21/94/592492194.db2.gz SXGNPFHOOQLEOQ-HNNXBMFYSA-N 0 3 336.329 1.907 20 10 EDCDHN CN1CCN(c2ccc(CNC[C@@H](O)c3ccccn3)cc2)CC1 ZINC000905428472 592532009 /nfs/dbraw/zinc/53/20/09/592532009.db2.gz UMUFHFJRBHRVTC-LJQANCHMSA-N 0 3 326.444 1.657 20 10 EDCDHN COc1ccc([O-])c(C[NH2+]CC(C)(C)[C@@H]2COCC23OCCO3)c1 ZINC000839174844 593271088 /nfs/dbraw/zinc/27/10/88/593271088.db2.gz SSBXZCRDXFSFAG-INIZCTEOSA-N 0 3 337.416 1.906 20 10 EDCDHN CCN1C[C@@H](C)N(CC(=O)NCc2ccc(N(C)C)cc2)C[C@H]1C ZINC000839532686 593333933 /nfs/dbraw/zinc/33/39/33/593333933.db2.gz ZKCQMUGQKYLRBV-HZPDHXFCSA-N 0 3 332.492 1.783 20 10 EDCDHN O=C1NCCc2ccc(CNCc3cc4c(cc3O)OCO4)cc21 ZINC000757941500 593389881 /nfs/dbraw/zinc/38/98/81/593389881.db2.gz FUDDRWRRXFNAPZ-UHFFFAOYSA-N 0 3 326.352 1.697 20 10 EDCDHN CC[C@@H](C)N(C)CCNC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000804221089 593397665 /nfs/dbraw/zinc/39/76/65/593397665.db2.gz QAXADCFSMGCRER-HUUCEWRRSA-N 0 3 348.491 1.776 20 10 EDCDHN CCN1CCN(c2ccc(CNCCS(C)(=O)=O)cc2F)CC1 ZINC000819031903 593734710 /nfs/dbraw/zinc/73/47/10/593734710.db2.gz BSLIRTYKAGMDDE-UHFFFAOYSA-N 0 3 343.468 1.102 20 10 EDCDHN CCN1CCN(c2ccc(CNC[C@@H](O)C(F)(F)F)cc2F)CC1 ZINC000819033816 593734836 /nfs/dbraw/zinc/73/48/36/593734836.db2.gz SNGJOFLQODURLE-OAHLLOKOSA-N 0 3 349.372 1.980 20 10 EDCDHN COc1cc(O)c(CN2CCC3(CNC(=O)N3C)CC2)cc1OC ZINC000822529992 594062699 /nfs/dbraw/zinc/06/26/99/594062699.db2.gz MVNVQJAECZHFPE-UHFFFAOYSA-N 0 3 335.404 1.399 20 10 EDCDHN COc1ccc(N2CC[C@@H](CNC(=O)NC[C@H]3CCCN3C)C2)cc1 ZINC000823247768 594175442 /nfs/dbraw/zinc/17/54/42/594175442.db2.gz KCHOABHKBGOZNJ-DOTOQJQBSA-N 0 3 346.475 1.915 20 10 EDCDHN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1CCN(CCC)C1 ZINC000830461513 594400456 /nfs/dbraw/zinc/40/04/56/594400456.db2.gz DSQLUHCWHOWVLW-INIZCTEOSA-N 0 3 347.459 1.731 20 10 EDCDHN COc1ccc(N2CCN(C(=O)[C@H](N)CC(F)F)CC2)cc1F ZINC000831147031 594568766 /nfs/dbraw/zinc/56/87/66/594568766.db2.gz QVMGZGLLRJGTAQ-GFCCVEGCSA-N 0 3 331.338 1.465 20 10 EDCDHN N[C@H](C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)C1CCC1 ZINC000827365415 594665101 /nfs/dbraw/zinc/66/51/01/594665101.db2.gz RSDZUUXHGNNDHL-KRWDZBQOSA-N 0 3 335.423 1.530 20 10 EDCDHN CCC(=O)N1CCC[C@H](C(=O)NC[C@H](N)c2ccc(N(C)C)cc2)C1 ZINC000832272958 594739476 /nfs/dbraw/zinc/73/94/76/594739476.db2.gz KKIVXSPBTCAIJY-RDJZCZTQSA-N 0 3 346.475 1.517 20 10 EDCDHN Cc1cc(N(C)C)ccc1CN1CCN([C@H]2CCNC(=O)CC2)CC1 ZINC000840951627 594831932 /nfs/dbraw/zinc/83/19/32/594831932.db2.gz CQSJZQKGPARYFV-GOSISDBHSA-N 0 3 344.503 1.847 20 10 EDCDHN O=C(NC[C@H]1CNCCO1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000842012172 595002412 /nfs/dbraw/zinc/00/24/12/595002412.db2.gz VDHFYHSMQQBJQZ-JKSUJKDBSA-N 0 3 349.431 1.071 20 10 EDCDHN CN(CCN1CCCCC1)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000845771309 595060129 /nfs/dbraw/zinc/06/01/29/595060129.db2.gz VQXIWROPLPMTCT-UHFFFAOYSA-N 0 3 334.376 1.848 20 10 EDCDHN CCCC[C@H](NC(N)=O)C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1 ZINC000843296336 595065430 /nfs/dbraw/zinc/06/54/30/595065430.db2.gz ATBQCOIAHUXRDU-CABCVRRESA-N 0 3 335.452 1.096 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)Cc2cnn3ccccc23)cc1 ZINC000843298041 595066075 /nfs/dbraw/zinc/06/60/75/595066075.db2.gz LRPHFTAPJATRKF-KRWDZBQOSA-N 0 3 337.427 1.759 20 10 EDCDHN CC(=O)c1cc(F)cc(CN2C[C@H](C[NH3+])C3(C2)CCOCC3)c1[O-] ZINC000843388504 595097082 /nfs/dbraw/zinc/09/70/82/595097082.db2.gz POKTVRBRMNEETB-AWEZNQCLSA-N 0 3 336.407 1.921 20 10 EDCDHN COc1cc(Cl)cc(CN2CN(CCN(C)C)C(=O)[C@@H]2C)c1O ZINC000843428737 595108771 /nfs/dbraw/zinc/10/87/71/595108771.db2.gz MSEUHZJWVMYTOW-NSHDSACASA-N 0 3 341.839 1.606 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNS(=O)(=O)N2CCCCCC2)cc1 ZINC000842786258 595198112 /nfs/dbraw/zinc/19/81/12/595198112.db2.gz OTTOQBXLXNRJRA-INIZCTEOSA-N 0 3 340.493 1.463 20 10 EDCDHN COc1ccc(N2CCN(C(=O)[C@@H]3C[C@@H](C)CCN3)CC2)cc1F ZINC000844190767 595297854 /nfs/dbraw/zinc/29/78/54/595297854.db2.gz NUXMWYGFCOUKHL-BBRMVZONSA-N 0 3 335.423 1.871 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCCCC[C@@H]1CO)cc2=O ZINC000847017107 595351616 /nfs/dbraw/zinc/35/16/16/595351616.db2.gz QEXBQVBIXSGMTN-CYBMUJFWSA-N 0 3 348.403 1.349 20 10 EDCDHN O=C(NCCCSc1nccs1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000847335551 595398366 /nfs/dbraw/zinc/39/83/66/595398366.db2.gz FLDPYINRHYLVNQ-NWDGAFQWSA-N 0 3 342.490 1.086 20 10 EDCDHN CCc1cccc(CN2CCC[C@@H](S(=O)(=O)N(C)C)C2)c1O ZINC000848910751 595466345 /nfs/dbraw/zinc/46/63/45/595466345.db2.gz PLGKXSGOTIEVOT-OAHLLOKOSA-N 0 3 326.462 1.810 20 10 EDCDHN CCc1cccc(CN2CCN([C@H]3CCNC(=O)CC3)CC2)c1O ZINC000848915547 595467604 /nfs/dbraw/zinc/46/76/04/595467604.db2.gz XIYFYLCRIJMRHX-QGZVFWFLSA-N 0 3 331.460 1.741 20 10 EDCDHN C[C@H](NC[C@H](O)[C@@H]1CCCO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000858469669 595804314 /nfs/dbraw/zinc/80/43/14/595804314.db2.gz XXALTDHPLAGWHO-KKXDTOCCSA-N 0 3 338.423 1.853 20 10 EDCDHN C[C@@H](NCCN1C(=O)CN(C)C1=O)c1ccc(N2CCOCC2)cc1 ZINC000851898667 595967851 /nfs/dbraw/zinc/96/78/51/595967851.db2.gz XAPKOSKLDIXUGM-CQSZACIVSA-N 0 3 346.431 1.068 20 10 EDCDHN COc1cc(Cl)cc(C[NH2+]C[C@]23COC(=O)N2CCOC3)c1[O-] ZINC000872262494 596859759 /nfs/dbraw/zinc/85/97/59/596859759.db2.gz GIEIVKZFQSVIDY-HNNXBMFYSA-N 0 3 342.779 1.365 20 10 EDCDHN COc1cc(O)c(CN2CCC(c3nnnn3C)CC2)cc1OC ZINC000872787334 597068350 /nfs/dbraw/zinc/06/83/50/597068350.db2.gz DQGGFCGBKHOWNI-UHFFFAOYSA-N 0 3 333.392 1.313 20 10 EDCDHN COCCn1cc(C(=O)NC[C@H](N)c2ccc(N(C)C)cc2)cn1 ZINC000876506129 597224581 /nfs/dbraw/zinc/22/45/81/597224581.db2.gz FTXWLJXZYABJAH-INIZCTEOSA-N 0 3 331.420 1.025 20 10 EDCDHN CC[C@@]1(O)CCCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000879310553 597882543 /nfs/dbraw/zinc/88/25/43/597882543.db2.gz VPWHPWLRBQPOFZ-LJQANCHMSA-N 0 3 333.476 1.948 20 10 EDCDHN COc1cc(C(=O)N[C@@H]2CCCCN(CCCO)C2)cc(OC)n1 ZINC001034287878 709710742 /nfs/dbraw/zinc/71/07/42/709710742.db2.gz CENQUJPHYMFRJI-CQSZACIVSA-N 0 3 337.420 1.066 20 10 EDCDHN CN1CCc2cc(CNC(=O)NC[C@@H](O)CN3CCCCC3)ccc21 ZINC000372446067 250218559 /nfs/dbraw/zinc/21/85/59/250218559.db2.gz JRPIHPUMUXHNHO-QGZVFWFLSA-N 0 3 346.475 1.325 20 10 EDCDHN CN1CCC2(CCN(Cc3ccc(N4CCOCC4)cc3)CC2)C1=O ZINC000369649630 250202716 /nfs/dbraw/zinc/20/27/16/250202716.db2.gz RRUZXNIKTMCIJO-UHFFFAOYSA-N 0 3 343.471 1.968 20 10 EDCDHN C[C@@H]([NH2+]C[C@@H]1CC(=O)N(C)[C@H]1c1cnn(C)c1)c1ccccc1[O-] ZINC000372886963 250227664 /nfs/dbraw/zinc/22/76/64/250227664.db2.gz ZTLJICWJCCSTBH-FHSNZYRGSA-N 0 3 328.416 1.996 20 10 EDCDHN CN(C)c1ccc(CNC(=O)CN2CCC[C@H](c3nc[nH]n3)C2)cc1 ZINC000374048726 250250702 /nfs/dbraw/zinc/25/07/02/250250702.db2.gz HMRJMKQBXDJHDE-HNNXBMFYSA-N 0 3 342.447 1.367 20 10 EDCDHN CN(C)c1ccc(CN[C@@H]2CCC(=O)N[C@H]2[C@@H]2CCCO2)cc1F ZINC000377728242 447320225 /nfs/dbraw/zinc/32/02/25/447320225.db2.gz VZQZIHJBJVAALP-UWWQBHOKSA-N 0 3 335.423 1.808 20 10 EDCDHN CN(C)c1ccc(CN(C)C(=O)CN2CCCC[C@@H]2CCO)cc1 ZINC000070953030 441129043 /nfs/dbraw/zinc/12/90/43/441129043.db2.gz BTZAOQYXKCJQII-GOSISDBHSA-N 0 3 333.476 1.948 20 10 EDCDHN Cc1ccc([O-])c(C[NH+]2CCC(NC(=O)c3cnn(C)c3)CC2)c1 ZINC000092074552 441771722 /nfs/dbraw/zinc/77/17/22/441771722.db2.gz VFYNPTAEBPJLJI-UHFFFAOYSA-N 0 3 328.416 1.829 20 10 EDCDHN CN(C)C[C@@](C)(O)CNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000128032929 442240941 /nfs/dbraw/zinc/24/09/41/442240941.db2.gz QMCGJCMNUYVTEH-SFHVURJKSA-N 0 3 332.448 1.175 20 10 EDCDHN COCCN(C)CCNC(=O)NCc1ccc2c(c1)CCCN2C ZINC000171203525 442327444 /nfs/dbraw/zinc/32/74/44/442327444.db2.gz WTHBWTJBWCVLDJ-UHFFFAOYSA-N 0 3 334.464 1.446 20 10 EDCDHN CN(C)c1ccc(CN(C)C(=O)CN(C)CCCn2ccnc2)cc1 ZINC000179163711 442586770 /nfs/dbraw/zinc/58/67/70/442586770.db2.gz OKGFBVTVEQJZGO-UHFFFAOYSA-N 0 3 343.475 1.930 20 10 EDCDHN COc1cc(O)c(CN2CCN(CC(C)(C)O)C[C@H]2C)cc1OC ZINC000188844881 442825823 /nfs/dbraw/zinc/82/58/23/442825823.db2.gz GPGPJNPKLADJJS-CYBMUJFWSA-N 0 3 338.448 1.686 20 10 EDCDHN CCN1CCN(CCC(=O)NCc2ccc3c(c2)CCCN3C)CC1 ZINC000263672195 443235655 /nfs/dbraw/zinc/23/56/55/443235655.db2.gz JAULMEUDDRKLDN-UHFFFAOYSA-N 0 3 344.503 1.713 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@H](C)[C@@H]1CCCO1)cc2=O ZINC000273421846 443571578 /nfs/dbraw/zinc/57/15/78/443571578.db2.gz RHCVJHKSMUFHCK-MFKMUULPSA-N 0 3 334.376 1.269 20 10 EDCDHN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](O)CN2CCCCC2)c1 ZINC000273409666 443571986 /nfs/dbraw/zinc/57/19/86/443571986.db2.gz PJHDXQZPSCZERZ-UKRRQHHQSA-N 0 3 336.432 1.676 20 10 EDCDHN COC(=O)c1ccc([O-])c([C@@H](C)NC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000273409666 443571991 /nfs/dbraw/zinc/57/19/91/443571991.db2.gz PJHDXQZPSCZERZ-UKRRQHHQSA-N 0 3 336.432 1.676 20 10 EDCDHN CO[C@H]1C[C@@H](CN(C)C(=O)NCc2ccc(N(C)C)cc2)N(C)C1 ZINC000284739383 443786964 /nfs/dbraw/zinc/78/69/64/443786964.db2.gz MYENIZXEWTVJSD-IRXDYDNUSA-N 0 3 334.464 1.613 20 10 EDCDHN COc1cc(Cl)cc(CN2CCO[C@@H]3CC[N@H+](C)C[C@@H]32)c1[O-] ZINC000284616265 443780918 /nfs/dbraw/zinc/78/09/18/443780918.db2.gz MCJBCWOMAFUBAG-UONOGXRCSA-N 0 3 326.824 1.959 20 10 EDCDHN COc1cc(Cl)cc(CN2CCO[C@@H]3CC[N@@H+](C)C[C@@H]32)c1[O-] ZINC000284616265 443780921 /nfs/dbraw/zinc/78/09/21/443780921.db2.gz MCJBCWOMAFUBAG-UONOGXRCSA-N 0 3 326.824 1.959 20 10 EDCDHN CN(Cc1ccccc1O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000281995808 444057702 /nfs/dbraw/zinc/05/77/02/444057702.db2.gz PXBSCYQTXGTVRT-UHFFFAOYSA-N 0 3 334.464 1.560 20 10 EDCDHN CC(C)n1cc([C@]2(O)CCN(Cc3cc4c(cc3O)OCO4)C2)nn1 ZINC000285664781 444065620 /nfs/dbraw/zinc/06/56/20/444065620.db2.gz YSRCUQAUDOCWCJ-KRWDZBQOSA-N 0 3 346.387 1.387 20 10 EDCDHN CCOc1ccc(O)c(CN2CCC(CNS(C)(=O)=O)CC2)c1 ZINC000289334907 444110924 /nfs/dbraw/zinc/11/09/24/444110924.db2.gz HCBHNQBHRKWJJY-UHFFFAOYSA-N 0 3 342.461 1.552 20 10 EDCDHN CCCCN(CC(=O)N1CCN(C(C)=O)CC1)Cc1ccccc1O ZINC000282324093 444148328 /nfs/dbraw/zinc/14/83/28/444148328.db2.gz AHJAFBZEAHRNHF-UHFFFAOYSA-N 0 3 347.459 1.685 20 10 EDCDHN COc1cc(Cl)cc(C[N@H+](C)[C@@H]2CCN3CCO[C@H]2C3)c1[O-] ZINC000295030363 444164369 /nfs/dbraw/zinc/16/43/69/444164369.db2.gz DCQCXRUWZZDTKP-HIFRSBDPSA-N 0 3 326.824 1.959 20 10 EDCDHN COc1cc(Cl)cc(C[N@@H+](C)[C@@H]2CCN3CCO[C@H]2C3)c1[O-] ZINC000295030363 444164370 /nfs/dbraw/zinc/16/43/70/444164370.db2.gz DCQCXRUWZZDTKP-HIFRSBDPSA-N 0 3 326.824 1.959 20 10 EDCDHN C[C@@]1(C[C@@H]2CCC[N@@H+]2Cc2cc3c(cc2[O-])OCO3)NC(=O)NC1=O ZINC000289629032 444183261 /nfs/dbraw/zinc/18/32/61/444183261.db2.gz LXJOXGGJVJUNOV-GTNSWQLSSA-N 0 3 347.371 1.074 20 10 EDCDHN C[C@@]1(C[C@@H]2CCC[N@H+]2Cc2cc3c(cc2[O-])OCO3)NC(=O)NC1=O ZINC000289629032 444183262 /nfs/dbraw/zinc/18/32/62/444183262.db2.gz LXJOXGGJVJUNOV-GTNSWQLSSA-N 0 3 347.371 1.074 20 10 EDCDHN NS(=O)(=O)c1ccc(CC[NH2+][C@H]2CCc3cccc([O-])c32)cc1 ZINC000295982183 444197639 /nfs/dbraw/zinc/19/76/39/444197639.db2.gz NGYPSNGUHKKNIQ-HNNXBMFYSA-N 0 3 332.425 1.859 20 10 EDCDHN CCN(CC)CC(=O)N1CCN(Cc2cccc(OC)c2O)CC1 ZINC000093045986 528084860 /nfs/dbraw/zinc/08/48/60/528084860.db2.gz IWAMTPYMYPRHHV-UHFFFAOYSA-N 0 3 335.448 1.387 20 10 EDCDHN COc1cccc(C[NH2+]CCN2C(=O)c3ccccc3C2=O)c1[O-] ZINC000725848696 578288973 /nfs/dbraw/zinc/28/89/73/578288973.db2.gz CVRBTFLNDYEKSJ-UHFFFAOYSA-N 0 3 326.352 1.787 20 10 EDCDHN CC(C)NS(=O)(=O)CC[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756684548 579954880 /nfs/dbraw/zinc/95/48/80/579954880.db2.gz YNFNECGVUORIGB-PWSUYJOCSA-N 0 3 330.425 1.997 20 10 EDCDHN CN(C)c1ccnc(NCc2ccc(N3CCN(C)CC3)cc2)n1 ZINC000766108501 580159417 /nfs/dbraw/zinc/15/94/17/580159417.db2.gz OWDSCHOKLLSCCG-UHFFFAOYSA-N 0 3 326.448 1.907 20 10 EDCDHN CN(C)C(=O)CCN1CCN(Cc2cc3c(cc2O)CCCC3)CC1 ZINC000768462153 580213775 /nfs/dbraw/zinc/21/37/75/580213775.db2.gz KDFFIQICBPWSCV-UHFFFAOYSA-N 0 3 345.487 1.867 20 10 EDCDHN OCCOC1CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000769538736 580239597 /nfs/dbraw/zinc/23/95/97/580239597.db2.gz VPFHWJSWWQGEFD-UHFFFAOYSA-N 0 3 338.423 1.636 20 10 EDCDHN C[C@H](NCCc1nnnn1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000772466368 580312108 /nfs/dbraw/zinc/31/21/08/580312108.db2.gz NMOGJIJQQXFALO-LBPRGKRZSA-N 0 3 334.399 1.079 20 10 EDCDHN CCN(C)c1ccc(CN2CCC[C@H](CNS(C)(=O)=O)C2)cc1 ZINC000773765883 580345741 /nfs/dbraw/zinc/34/57/41/580345741.db2.gz OBFNZTSYIYTUIS-MRXNPFEDSA-N 0 3 339.505 1.904 20 10 EDCDHN CN(Cc1ccc(N2CCN(C)CC2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000775639476 580395838 /nfs/dbraw/zinc/39/58/38/580395838.db2.gz WUAPLMFITAJEEY-QGZVFWFLSA-N 0 3 337.489 1.057 20 10 EDCDHN CN1CCN(c2ccc(CN3CCN(C(=O)C4CC4)CC3)cc2)CC1 ZINC000775647623 580396213 /nfs/dbraw/zinc/39/62/13/580396213.db2.gz ZLFWSHLBTRORQK-UHFFFAOYSA-N 0 3 342.487 1.493 20 10 EDCDHN COc1cc([O-])c(C[NH2+]CCc2nnc3ccccn32)cc1OC ZINC000776173671 580410378 /nfs/dbraw/zinc/41/03/78/580410378.db2.gz FESUVOFIXNRTMG-UHFFFAOYSA-N 0 3 328.372 1.784 20 10 EDCDHN Cc1cc(Br)cc(C[NH2+]C[C@H](C)S(C)(=O)=O)c1[O-] ZINC000776252158 580412866 /nfs/dbraw/zinc/41/28/66/580412866.db2.gz JLLIWOQRLCXNHV-VIFPVBQESA-N 0 3 336.251 1.986 20 10 EDCDHN CC(C)(C)OC(=O)[C@@](C)(O)CNCc1cc2c(cc1O)OCO2 ZINC000776521342 580419223 /nfs/dbraw/zinc/41/92/23/580419223.db2.gz WNFDREKLXOTFSC-INIZCTEOSA-N 0 3 325.361 1.303 20 10 EDCDHN CC(C)(C)OC(=O)[C@@](C)(O)C[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000776521342 580419224 /nfs/dbraw/zinc/41/92/24/580419224.db2.gz WNFDREKLXOTFSC-INIZCTEOSA-N 0 3 325.361 1.303 20 10 EDCDHN CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000780954312 580538616 /nfs/dbraw/zinc/53/86/16/580538616.db2.gz DBYVGXRDUSDBNO-CQSZACIVSA-N 0 3 336.432 1.979 20 10 EDCDHN COC[C@H](CN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)OC ZINC000781429164 580549379 /nfs/dbraw/zinc/54/93/79/580549379.db2.gz YHMPVOSBXWXXEK-ZFWWWQNUSA-N 0 3 326.412 1.974 20 10 EDCDHN COC[C@H](CN[C@H](C)c1ccc(N2CCOCC2)c(F)c1)OC ZINC000781429156 580549412 /nfs/dbraw/zinc/54/94/12/580549412.db2.gz YHMPVOSBXWXXEK-HIFRSBDPSA-N 0 3 326.412 1.974 20 10 EDCDHN C[C@H](O)CN1CCN(Cc2ccc(N3CCOCC3)cc2)[C@H](C)C1 ZINC000793594217 580848540 /nfs/dbraw/zinc/84/85/40/580848540.db2.gz XCGHVOQNVKWJRO-SJORKVTESA-N 0 3 333.476 1.410 20 10 EDCDHN CC[C@H]([NH2+]CCS(=O)(=O)N1CCOCC1)c1ccc(C)cc1[O-] ZINC000794811946 580906444 /nfs/dbraw/zinc/90/64/44/580906444.db2.gz UYETYSJGGJNTLH-HNNXBMFYSA-N 0 3 342.461 1.403 20 10 EDCDHN COc1cccc(C[NH2+][C@H]2CCC[C@@H]2CNS(C)(=O)=O)c1[O-] ZINC000800309534 581050226 /nfs/dbraw/zinc/05/02/26/581050226.db2.gz KNHZBCRLLZFUMH-YPMHNXCESA-N 0 3 328.434 1.208 20 10 EDCDHN Cc1cc([O-])c(C[NH2+][C@H]2CCC[C@H]2CNS(C)(=O)=O)cc1C ZINC000800309825 581050300 /nfs/dbraw/zinc/05/03/00/581050300.db2.gz SBWJZHYQCGRFEX-ZFWWWQNUSA-N 0 3 326.462 1.817 20 10 EDCDHN CCCC[N@H+](Cc1ccccc1[O-])CC1(O)CCS(=O)(=O)CC1 ZINC000801598523 581081196 /nfs/dbraw/zinc/08/11/96/581081196.db2.gz BNQFZMJECAFBPI-UHFFFAOYSA-N 0 3 341.473 1.934 20 10 EDCDHN CCCC[N@@H+](Cc1ccccc1[O-])CC1(O)CCS(=O)(=O)CC1 ZINC000801598523 581081197 /nfs/dbraw/zinc/08/11/97/581081197.db2.gz BNQFZMJECAFBPI-UHFFFAOYSA-N 0 3 341.473 1.934 20 10 EDCDHN CC[C@@H](CCO)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000893145270 590681613 /nfs/dbraw/zinc/68/16/13/590681613.db2.gz DHRNGCPUDZTYRX-RDJZCZTQSA-N 0 3 336.480 1.816 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)[C@@]2(C)CCN(C)C2=O)N(C)C)cc1 ZINC000891245985 591015482 /nfs/dbraw/zinc/01/54/82/591015482.db2.gz LEWDNHDGIJJWDU-QFBILLFUSA-N 0 3 346.475 1.340 20 10 EDCDHN Cc1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cnn1 ZINC000891250100 591018401 /nfs/dbraw/zinc/01/84/01/591018401.db2.gz YYGRTONCJXQBAL-QGZVFWFLSA-N 0 3 327.432 1.884 20 10 EDCDHN CCCn1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)nn1 ZINC000891248745 591018416 /nfs/dbraw/zinc/01/84/16/591018416.db2.gz NQKRGULIIXROEQ-QGZVFWFLSA-N 0 3 344.463 1.787 20 10 EDCDHN CCN1CCO[C@@H](C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000891250560 591018516 /nfs/dbraw/zinc/01/85/16/591018516.db2.gz AUAIHWPGWUBJHS-ZWKOTPCHSA-N 0 3 348.491 1.192 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)CN(C)C(=O)C2CC2)N(C)C)cc1 ZINC000891254530 591021501 /nfs/dbraw/zinc/02/15/01/591021501.db2.gz ZDWZRLVOJQSVTO-KRWDZBQOSA-N 0 3 346.475 1.340 20 10 EDCDHN COc1ncc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cn1 ZINC000891254218 591021764 /nfs/dbraw/zinc/02/17/64/591021764.db2.gz XOYLQIYIAOXRNX-MRXNPFEDSA-N 0 3 343.431 1.584 20 10 EDCDHN CC(=O)N[C@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C(C)C ZINC000891257911 591023094 /nfs/dbraw/zinc/02/30/94/591023094.db2.gz MXBWKYKLXMWIRL-ROUUACIJSA-N 0 3 348.491 1.632 20 10 EDCDHN Cc1cccc(O)c1CN1CCN(c2nc(N)nc(C3CC3)n2)CC1 ZINC000897573481 591561938 /nfs/dbraw/zinc/56/19/38/591561938.db2.gz KGPJNQNNZAINMW-UHFFFAOYSA-N 0 3 340.431 1.667 20 10 EDCDHN C[C@@H]1C(=O)N[C@@H](C)[C@H](C)N1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000895119069 591598859 /nfs/dbraw/zinc/59/88/59/591598859.db2.gz UPYTWMJZSRDTJW-HRCADAONSA-N 0 3 330.476 1.536 20 10 EDCDHN COCC1(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CC1 ZINC000899102183 591682428 /nfs/dbraw/zinc/68/24/28/591682428.db2.gz NPPGJJFTPUMOAR-MRXNPFEDSA-N 0 3 334.464 1.834 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)NCC2(O)CCC2)N(C)C)cc1 ZINC000899103320 591683540 /nfs/dbraw/zinc/68/35/40/591683540.db2.gz YZZNLKIJUNPJKP-MRXNPFEDSA-N 0 3 334.464 1.570 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)N(C)CC2CN(C)C2)N(C)C)cc1 ZINC000899098743 591688281 /nfs/dbraw/zinc/68/82/81/591688281.db2.gz RHHSWRJGARDOJB-SFHVURJKSA-N 0 3 347.507 1.558 20 10 EDCDHN COc1ccc(C[NH2+]C[C@@H]2CCN2C2CCOCC2)c([O-])c1OC ZINC000897229350 591779714 /nfs/dbraw/zinc/77/97/14/591779714.db2.gz UFRZYVAGLDQJPQ-HNNXBMFYSA-N 0 3 336.432 1.752 20 10 EDCDHN Fc1cc(CN[C@@H]2CCO[C@]23CCOC3)ccc1N1CCOCC1 ZINC000903072518 592119732 /nfs/dbraw/zinc/11/97/32/592119732.db2.gz KGGZERPLGCEEGH-MSOLQXFVSA-N 0 3 336.407 1.700 20 10 EDCDHN C/C=C\[C@@H](O)C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 ZINC000901288640 592326270 /nfs/dbraw/zinc/32/62/70/592326270.db2.gz YOKZUAYWHKFVNT-FFPCURRISA-N 0 3 343.471 1.772 20 10 EDCDHN CN(C)c1ccc(CN(C[C@H](O)C[C@@]2(O)CCOC2)C2CC2)cc1 ZINC000905916224 592680908 /nfs/dbraw/zinc/68/09/08/592680908.db2.gz VGAHWMGFVXNKJR-MOPGFXCFSA-N 0 3 334.460 1.619 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNC(=O)c2ccc3c(n2)CNCC3)cc1 ZINC000911667962 592974456 /nfs/dbraw/zinc/97/44/56/592974456.db2.gz VEGKZTOGKHXPOH-MRXNPFEDSA-N 0 3 339.443 1.223 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)[C@H]2CCCN(C3CC3)C2=O)cc1 ZINC000911668526 592974655 /nfs/dbraw/zinc/97/46/55/592974655.db2.gz YSUBVEXNZVENJT-SJORKVTESA-N 0 3 344.459 1.270 20 10 EDCDHN C[C@H](NCCN1C(=O)N[C@@H](C)C1=O)c1ccc(N2CCOCC2)cc1 ZINC000838914722 593231784 /nfs/dbraw/zinc/23/17/84/593231784.db2.gz QGQJKZUNTXVZCS-KBPBESRZSA-N 0 3 346.431 1.114 20 10 EDCDHN COc1cccc([O-])c1C[NH2+]CC(C)(C)[C@@H]1COCC12OCCO2 ZINC000839177087 593271028 /nfs/dbraw/zinc/27/10/28/593271028.db2.gz UQTZVKSXJXEXMD-INIZCTEOSA-N 0 3 337.416 1.906 20 10 EDCDHN Cc1c(CO)cc([N+](=O)[O-])c(N(C)C[C@H]2CCCN2C)c1[N+](=O)[O-] ZINC000817131721 593573945 /nfs/dbraw/zinc/57/39/45/593573945.db2.gz MEYQEXGFNRKOPA-GFCCVEGCSA-N 0 3 338.364 1.834 20 10 EDCDHN Cc1cc(CN2CCC([C@]3(C)NC(=O)NC3=O)CC2)ccc1N(C)C ZINC000815060595 593612524 /nfs/dbraw/zinc/61/25/24/593612524.db2.gz WXJBWVXICUEBQU-IBGZPJMESA-N 0 3 344.459 1.871 20 10 EDCDHN Fc1cc(CN[C@H](C2CC2)[C@H]2CNCCO2)ccc1N1CCOCC1 ZINC000817889701 593645393 /nfs/dbraw/zinc/64/53/93/593645393.db2.gz VATPQRRMIPGIHB-RTBURBONSA-N 0 3 349.450 1.519 20 10 EDCDHN COc1ccc(N2CC[C@@H](CNC(=O)CNC[C@@H]3CCCO3)C2)cc1 ZINC000818613612 593708021 /nfs/dbraw/zinc/70/80/21/593708021.db2.gz VKYTYUCUZYMIDS-YJBOKZPZSA-N 0 3 347.459 1.406 20 10 EDCDHN COc1ccc(N2CC[C@H](CNC(=O)N3C[C@@H](C)NC[C@H]3C)C2)cc1 ZINC000818656614 593710638 /nfs/dbraw/zinc/71/06/38/593710638.db2.gz ZMLUFRDEESWWCP-BZUAXINKSA-N 0 3 346.475 1.913 20 10 EDCDHN COc1ccc(N2CC[C@H](CN=c3cc[nH]cc3C(N)=O)C2)cc1 ZINC000819936755 593778163 /nfs/dbraw/zinc/77/81/63/593778163.db2.gz WTLFKMFTJKOJJR-CYBMUJFWSA-N 0 3 326.400 1.549 20 10 EDCDHN O=S1(=O)CC[C@](O)(CNCc2ccc(N3CCCCC3)cc2)C1 ZINC000824608407 594046832 /nfs/dbraw/zinc/04/68/32/594046832.db2.gz GSYSWXHHKMSPAT-KRWDZBQOSA-N 0 3 338.473 1.316 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNC(=O)Cn2ncc3ccccc32)cc1 ZINC000832271988 594739468 /nfs/dbraw/zinc/73/94/68/594739468.db2.gz BKBXEUVGOICBQY-QGZVFWFLSA-N 0 3 337.427 1.919 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)c2ccc([N+](=O)[O-])n2C)cc1 ZINC000832292783 594740632 /nfs/dbraw/zinc/74/06/32/594740632.db2.gz MQWUMNNQERIQHL-ZDUSSCGKSA-N 0 3 331.376 1.429 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNC(=O)CCOC[C@H]2CCCO2)cc1 ZINC000832299746 594741125 /nfs/dbraw/zinc/74/11/25/594741125.db2.gz HFVSZRJFDXERCX-IAGOWNOFSA-N 0 3 335.448 1.454 20 10 EDCDHN CN(C)c1ccc(CNC(=O)N[C@@H]2CNCCC2(F)F)cc1F ZINC000841760814 594948224 /nfs/dbraw/zinc/94/82/24/594948224.db2.gz LVRYPZBVAHUWTD-CYBMUJFWSA-N 0 3 330.354 1.688 20 10 EDCDHN C[C@@H]1CN(CCO)[C@@H](C)CN1Cc1ccc(N2CCOCC2)cc1 ZINC000841892262 594975130 /nfs/dbraw/zinc/97/51/30/594975130.db2.gz WAFZTDDVVJJSLS-DLBZAZTESA-N 0 3 333.476 1.410 20 10 EDCDHN C[C@@H](CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)N(C)C ZINC000836620425 594981013 /nfs/dbraw/zinc/98/10/13/594981013.db2.gz CVCLANFBSTYAKE-HNNXBMFYSA-N 0 3 334.464 1.615 20 10 EDCDHN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](CN)C1CCCC1 ZINC000842262724 595058597 /nfs/dbraw/zinc/05/85/97/595058597.db2.gz GXAVMZWRGMYCKG-MRXNPFEDSA-N 0 3 347.459 1.765 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNC(=O)c2cc([N+](=O)[O-])cn2C)cc1 ZINC000843299853 595066542 /nfs/dbraw/zinc/06/65/42/595066542.db2.gz XZMZHVBPPSOLSR-CQSZACIVSA-N 0 3 331.376 1.429 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNC(=O)CCNC(=O)C(C)(C)C)cc1 ZINC000843299058 595066771 /nfs/dbraw/zinc/06/67/71/595066771.db2.gz QQUXONKGOAKWOF-OAHLLOKOSA-N 0 3 334.464 1.421 20 10 EDCDHN COc1cc(Cl)cc(CN2CN(CCN(C)C)C(=O)[C@H]2C)c1O ZINC000843428735 595108786 /nfs/dbraw/zinc/10/87/86/595108786.db2.gz MSEUHZJWVMYTOW-LLVKDONJSA-N 0 3 341.839 1.606 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNS(=O)(=O)N2CCCCC2)cc1 ZINC000842784355 595197624 /nfs/dbraw/zinc/19/76/24/595197624.db2.gz IGKKHEXWZRJDPE-HNNXBMFYSA-N 0 3 326.466 1.073 20 10 EDCDHN CN(C)S(=O)(=O)N1CCC[C@@H]([NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000834803453 595217093 /nfs/dbraw/zinc/21/70/93/595217093.db2.gz UBKXZLNCSPBUAQ-ZIAGYGMSSA-N 0 3 339.461 1.240 20 10 EDCDHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@H](C(=O)N3CCNCC3)C2)c1 ZINC000843046890 595273171 /nfs/dbraw/zinc/27/31/71/595273171.db2.gz HTIUWDYRSYEEOV-HNNXBMFYSA-N 0 3 347.459 1.435 20 10 EDCDHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@H](C(=O)N3CCNCC3)C2)c1 ZINC000843046890 595273172 /nfs/dbraw/zinc/27/31/72/595273172.db2.gz HTIUWDYRSYEEOV-HNNXBMFYSA-N 0 3 347.459 1.435 20 10 EDCDHN C[C@@H](NC1CC1)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000844174356 595291887 /nfs/dbraw/zinc/29/18/87/595291887.db2.gz XMYOIFUGNGGBRV-CQSZACIVSA-N 0 3 331.460 1.652 20 10 EDCDHN COC(=O)[C@@H]1C[NH2+]CCCN1Cc1cc(Br)ccc1[O-] ZINC000843123532 595292432 /nfs/dbraw/zinc/29/24/32/595292432.db2.gz LSZNVDJJSQBGEJ-LBPRGKRZSA-N 0 3 343.221 1.492 20 10 EDCDHN COc1ccc(N(C)CCN(C)CCN2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000844400620 595337366 /nfs/dbraw/zinc/33/73/66/595337366.db2.gz DGOGUFANEHWITC-KDURUIRLSA-N 0 3 333.476 1.926 20 10 EDCDHN COCCN1CCC[C@H]1CNC(=O)NCc1cc(Cl)ccc1O ZINC000844969789 595421572 /nfs/dbraw/zinc/42/15/72/595421572.db2.gz WFDBMUQBNZARRM-AWEZNQCLSA-N 0 3 341.839 1.956 20 10 EDCDHN CCc1cccc(CN2CCN(c3ncccc3C(N)=O)CC2)c1O ZINC000848881951 595462305 /nfs/dbraw/zinc/46/23/05/595462305.db2.gz UPDFHQFMECGIMI-UHFFFAOYSA-N 0 3 340.427 1.771 20 10 EDCDHN COc1ccc(N2CC[C@H](N[C@@H](Cc3ccccc3)C(N)=O)C2)cc1 ZINC000849321716 595506119 /nfs/dbraw/zinc/50/61/19/595506119.db2.gz KTWRRMHEGJLMSP-LPHOPBHVSA-N 0 3 339.439 1.960 20 10 EDCDHN COc1ccc(N2CC[C@H](NC(=O)c3[nH]nc4c3CNCC4)C2)cc1 ZINC000852844367 595571948 /nfs/dbraw/zinc/57/19/48/595571948.db2.gz TUKRDFLGPSYYBR-LBPRGKRZSA-N 0 3 341.415 1.073 20 10 EDCDHN COc1cccc(C[NH2+]C[C@H]2CN(Cc3ccncc3)CCO2)c1[O-] ZINC000858306964 595759574 /nfs/dbraw/zinc/75/95/74/595759574.db2.gz XFGIGRIKXROMRR-KRWDZBQOSA-N 0 3 343.427 1.786 20 10 EDCDHN NC(=O)[C@@H]1CCCN(c2ccc(CNc3ccnc(CO)c3)cc2)C1 ZINC000858357756 595773287 /nfs/dbraw/zinc/77/32/87/595773287.db2.gz WBBCSFDHGMYQGG-OAHLLOKOSA-N 0 3 340.427 1.888 20 10 EDCDHN C[C@@H]1C[C@H]([NH2+]C[C@]2(OCCO)CCOC2)c2c1c(F)ccc2[O-] ZINC000850507943 595846682 /nfs/dbraw/zinc/84/66/82/595846682.db2.gz LGJNZZCDPORMJG-BTJLNZGRSA-N 0 3 325.380 1.837 20 10 EDCDHN NCc1cccc2c1N(S(=O)(=O)c1cccc3nonc31)CCC2 ZINC000858622713 595848180 /nfs/dbraw/zinc/84/81/80/595848180.db2.gz KCASHUNWQNEAGW-UHFFFAOYSA-N 0 3 344.396 1.823 20 10 EDCDHN C[C@@H](CO)[C@H]1CCCCN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000852424392 596153949 /nfs/dbraw/zinc/15/39/49/596153949.db2.gz CLQHRHYQJJVRPH-MAUKXSAKSA-N 0 3 333.476 1.852 20 10 EDCDHN C[C@H](NC[C@@]12COCCN1C(=O)COC2)c1ccc(N(C)C)cc1 ZINC000866555839 596250240 /nfs/dbraw/zinc/25/02/40/596250240.db2.gz OONJFDGOMPXYKB-KSSFIOAISA-N 0 3 333.432 1.031 20 10 EDCDHN CN(C)CCn1cc(C(=O)NCc2c(O)ccc3c2CCCC3)cn1 ZINC000866771810 596335205 /nfs/dbraw/zinc/33/52/05/596335205.db2.gz YLBAFPDUDXUFNU-UHFFFAOYSA-N 0 3 342.443 1.959 20 10 EDCDHN Cc1cc(N(C)C)ccc1CN1CCN(C(=O)N2CCNCC2)CC1 ZINC000863642712 596641303 /nfs/dbraw/zinc/64/13/03/596641303.db2.gz WAVOUVOILMONSE-UHFFFAOYSA-N 0 3 345.491 1.204 20 10 EDCDHN COC(=O)C1=NO[C@]2(CCN(Cc3cc4c(cc3O)CCC4)C2)C1 ZINC000872709363 597040860 /nfs/dbraw/zinc/04/08/60/597040860.db2.gz MICMJPRNWGVCJG-GOSISDBHSA-N 0 3 330.384 1.775 20 10 EDCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000877518588 597529819 /nfs/dbraw/zinc/52/98/19/597529819.db2.gz SWYNBSPSHSTFCT-ZFWWWQNUSA-N 0 3 326.462 1.898 20 10 EDCDHN COC(=O)[C@H]1C[C@H](NCc2ccc(OC)c(Cn3cccn3)c2)C1 ZINC000877640868 597543612 /nfs/dbraw/zinc/54/36/12/597543612.db2.gz GWOUVUUXVIWXMM-KOMQPUFPSA-N 0 3 329.400 1.981 20 10 EDCDHN C[C@@H]1C[C@@H]([NH2+]CCN(C)CCOCCO)c2c1c(F)ccc2[O-] ZINC000883350521 597722838 /nfs/dbraw/zinc/72/28/38/597722838.db2.gz IFWQZQYELJKFEP-TZMCWYRMSA-N 0 3 326.412 1.610 20 10 EDCDHN CN1CCOC[C@@]1(CO)C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000922536157 703939605 /nfs/dbraw/zinc/93/96/05/703939605.db2.gz QRTMSYRTOWLZBY-FQEVSTJZSA-N 0 3 342.439 1.842 20 10 EDCDHN CCS(=O)(=O)N(C)C1CCN(Cc2cccc(OC)c2O)CC1 ZINC000093321097 237019607 /nfs/dbraw/zinc/01/96/07/237019607.db2.gz MBTGIHSXRRMNSX-UHFFFAOYSA-N 0 3 342.461 1.647 20 10 EDCDHN CCC[C@@H](N)C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000236970342 249302018 /nfs/dbraw/zinc/30/20/18/249302018.db2.gz QUCXRGJRHQPXDH-MRXNPFEDSA-N 0 3 336.455 1.711 20 10 EDCDHN C[C@H]([NH2+]C[C@@]1(CO)COCC2(CCC2)N1C)c1cc(F)ccc1[O-] ZINC000527954922 305861039 /nfs/dbraw/zinc/86/10/39/305861039.db2.gz NABOOSJHOHGGOK-SCLBCKFNSA-N 0 3 338.423 1.798 20 10 EDCDHN COc1cccc(C[NH+]2CCC(c3ccnn3CCO)CC2)c1[O-] ZINC000092811305 441828250 /nfs/dbraw/zinc/82/82/50/441828250.db2.gz IMDMOGIANVFTLR-UHFFFAOYSA-N 0 3 331.416 1.969 20 10 EDCDHN COc1ccc(O)c([C@@H](C)N[C@@H]2CCN(c3cc(C)nn3C)C2=O)c1 ZINC000182392678 442763452 /nfs/dbraw/zinc/76/34/52/442763452.db2.gz CNSXMJJPEHCWEW-IUODEOHRSA-N 0 3 344.415 1.899 20 10 EDCDHN COc1ccc(N2CCN(CCN[C@H](C)c3cnn(C)c3)CC2)cc1 ZINC000268810485 443115976 /nfs/dbraw/zinc/11/59/76/443115976.db2.gz IREKMEZMAFJPGU-MRXNPFEDSA-N 0 3 343.475 1.902 20 10 EDCDHN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(C)S(C)(=O)=O ZINC000264843014 443449494 /nfs/dbraw/zinc/44/94/94/443449494.db2.gz APWFBDOMLMXSAL-ZDUSSCGKSA-N 0 3 326.462 1.923 20 10 EDCDHN COc1ccc(CN[C@@H]2CCCN(c3nccn(C)c3=O)C2)cc1C ZINC000275418462 443627268 /nfs/dbraw/zinc/62/72/68/443627268.db2.gz DMQGBAQWADYEFX-MRXNPFEDSA-N 0 3 342.443 1.856 20 10 EDCDHN Cn1ccnc(N2CCC[C@H](NCc3ccc4c(c3)CCO4)C2)c1=O ZINC000275616189 443634471 /nfs/dbraw/zinc/63/44/71/443634471.db2.gz RJBRGHCVMGPDJF-INIZCTEOSA-N 0 3 340.427 1.474 20 10 EDCDHN COc1ccc(O)c(CN2CC[C@H](N(C)Cc3nccc(N)n3)C2)c1 ZINC000275644679 443635346 /nfs/dbraw/zinc/63/53/46/443635346.db2.gz KGXWKWPAYDSAFZ-AWEZNQCLSA-N 0 3 343.431 1.479 20 10 EDCDHN Cc1cccc(C[NH2+]C[C@@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2)c1[O-] ZINC000370616933 446360423 /nfs/dbraw/zinc/36/04/23/446360423.db2.gz COMLTNNTMXDFGN-WMLDXEAASA-N 0 3 328.416 1.743 20 10 EDCDHN CCCCN(Cc1ccccc1O)C(=O)[C@H]1CN2CCN1CCC2 ZINC000366984976 446444735 /nfs/dbraw/zinc/44/47/35/446444735.db2.gz YWKJVKQKUMGGHW-QGZVFWFLSA-N 0 3 331.460 1.911 20 10 EDCDHN CC[C@@H](c1ccccc1O)N1CCO[C@H](CN2CCN(C)CC2)C1 ZINC000368811698 447124698 /nfs/dbraw/zinc/12/46/98/447124698.db2.gz YZRDKTDUJQETDU-AEFFLSMTSA-N 0 3 333.476 1.792 20 10 EDCDHN C[C@H](CO)N(CC(=O)NCc1ccc(N(C)C)cc1)C1CCCC1 ZINC000298539351 524542601 /nfs/dbraw/zinc/54/26/01/524542601.db2.gz MXFYIHDKKNCATR-OAHLLOKOSA-N 0 3 333.476 1.994 20 10 EDCDHN COc1cc(N2CCN(C[C@H]3CCOC3)CC2)cc(OC)c1OC ZINC000759879413 580017800 /nfs/dbraw/zinc/01/78/00/580017800.db2.gz VEUYPRYBTGOWRN-CQSZACIVSA-N 0 3 336.432 1.871 20 10 EDCDHN COc1ccc(O)c([C@H](C)NC(=O)NC2CCN(CCO)CC2)c1 ZINC000732465639 578714119 /nfs/dbraw/zinc/71/41/19/578714119.db2.gz FERPVSCZZJQBNL-LBPRGKRZSA-N 0 3 337.420 1.218 20 10 EDCDHN CC(C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)S(C)(=O)=O ZINC000735516896 578897451 /nfs/dbraw/zinc/89/74/51/578897451.db2.gz AFFAZCGDDODDFZ-TZMCWYRMSA-N 0 3 341.429 1.333 20 10 EDCDHN CCN1CCN(CCC[NH2+][C@H](C)c2cc(C(=O)OC)ccc2[O-])CC1 ZINC000756407642 579949577 /nfs/dbraw/zinc/94/95/77/579949577.db2.gz DTSKCAOQOGVDQD-OAHLLOKOSA-N 0 3 349.475 1.857 20 10 EDCDHN C[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756408295 579949651 /nfs/dbraw/zinc/94/96/51/579949651.db2.gz MBIGMOYDBMVPIX-CQSZACIVSA-N 0 3 336.436 1.979 20 10 EDCDHN Cc1cc(C(=O)NC[C@@]2(O)CCN(C)C2)c(C)n1-c1ccccn1 ZINC000762724638 580081643 /nfs/dbraw/zinc/08/16/43/580081643.db2.gz UYHRKQUVYJESPR-SFHVURJKSA-N 0 3 328.416 1.286 20 10 EDCDHN C[C@@H](N[C@H]1CCCN(C)C1=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000766436101 580166925 /nfs/dbraw/zinc/16/69/25/580166925.db2.gz GERWNWNIMCLGIG-CJNGLKHVSA-N 0 3 335.423 1.934 20 10 EDCDHN OCCN(CCOCC(F)(F)F)Cc1cc2c(cc1O)OCO2 ZINC000769390304 580235472 /nfs/dbraw/zinc/23/54/72/580235472.db2.gz SZMRLNIJODDAKU-UHFFFAOYSA-N 0 3 337.294 1.494 20 10 EDCDHN CN1CCN(c2ccc(CN3CC(=O)N[C@@H]4CCCC[C@@H]43)cc2)CC1 ZINC000775665932 580396659 /nfs/dbraw/zinc/39/66/59/580396659.db2.gz OGQYOFHFNMYGLS-MOPGFXCFSA-N 0 3 342.487 1.681 20 10 EDCDHN CN1CCN(c2ccc(CN3CCO[C@@H]([C@@H]4CCCO4)C3)cc2)CC1 ZINC000775736615 580399089 /nfs/dbraw/zinc/39/90/89/580399089.db2.gz CBPHXWPWRZGGAT-VQTJNVASSA-N 0 3 345.487 1.818 20 10 EDCDHN CCOc1cccc(CN[C@H]2CCN(C3CCOCC3)C2=O)c1O ZINC000776229705 580412101 /nfs/dbraw/zinc/41/21/01/580412101.db2.gz AMZZGMXSOQISBC-HNNXBMFYSA-N 0 3 334.416 1.660 20 10 EDCDHN C[C@]1(c2ccc(C[NH2+]Cc3cc(F)ccc3[O-])cc2)NC(=O)NC1=O ZINC000779067878 580478701 /nfs/dbraw/zinc/47/87/01/580478701.db2.gz SDODJFUDVUIXKG-GOSISDBHSA-N 0 3 343.358 1.876 20 10 EDCDHN CC[C@H]1C(=O)N(CC)CCN1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000779214614 580481284 /nfs/dbraw/zinc/48/12/84/580481284.db2.gz CKWDOWUGOJEYMA-IBGZPJMESA-N 0 3 344.503 1.881 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)CCc2ccnn2C)N(C)C)cc1 ZINC000891249462 591018280 /nfs/dbraw/zinc/01/82/80/591018280.db2.gz STSQXTIYMZVEEX-GOSISDBHSA-N 0 3 343.475 1.838 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)[C@@H](O)C2CCOCC2)N(C)C)cc1 ZINC000891254125 591020705 /nfs/dbraw/zinc/02/07/05/591020705.db2.gz VTKZEUCSAPYFFI-ROUUACIJSA-N 0 3 349.475 1.259 20 10 EDCDHN COC(=O)NCCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891252350 591021053 /nfs/dbraw/zinc/02/10/53/591021053.db2.gz JQWXJUGYKRHNOH-HNNXBMFYSA-N 0 3 336.436 1.218 20 10 EDCDHN CNC(=O)c1ccc(NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)nn1 ZINC000897526032 591530214 /nfs/dbraw/zinc/53/02/14/591530214.db2.gz XITJZSXLAUFTGH-INIZCTEOSA-N 0 3 342.447 1.617 20 10 EDCDHN COc1cc(Br)cc(CNCC(=O)N(C)OC)c1O ZINC000895041183 591536847 /nfs/dbraw/zinc/53/68/47/591536847.db2.gz KGYGOCQVXCHTRY-UHFFFAOYSA-N 0 3 333.182 1.273 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)NC[C@H]2C[C@@H](O)C2)N(C)C)cc1 ZINC000899097848 591678318 /nfs/dbraw/zinc/67/83/18/591678318.db2.gz HVDLBIVNVNOMOZ-XOKHGSTOSA-N 0 3 334.464 1.425 20 10 EDCDHN C[C@@H](CCO)CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899101821 591682719 /nfs/dbraw/zinc/68/27/19/591682719.db2.gz MOJSLTHGMVMVBF-WMLDXEAASA-N 0 3 336.480 1.673 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)N[C@]23C[C@H]2COC3)N(C)C)cc1 ZINC000899098030 591687930 /nfs/dbraw/zinc/68/79/30/591687930.db2.gz KQVXZFUJFUUNPQ-ZVZYQTTQSA-N 0 3 332.448 1.443 20 10 EDCDHN CCOC(=O)N1C[C@@H](CO)[C@H](NCc2ccc(N(C)C)c(F)c2)C1 ZINC000898359810 591871935 /nfs/dbraw/zinc/87/19/35/591871935.db2.gz UPDSHVWLULTQDB-DZGCQCFKSA-N 0 3 339.411 1.431 20 10 EDCDHN CN(C)c1ccc([C@H](CN2C(=O)N[C@@H](CCF)C2=O)N(C)C)cc1 ZINC000900185820 591933315 /nfs/dbraw/zinc/93/33/15/591933315.db2.gz SFJLXOFAEFCANF-GJZGRUSLSA-N 0 3 336.411 1.635 20 10 EDCDHN O=C(N(Cc1ccccc1O)C[C@H]1CCCO1)C12CCN(CC1)C2 ZINC000901177796 592278247 /nfs/dbraw/zinc/27/82/47/592278247.db2.gz UWCXGMMXLSYZNU-MRXNPFEDSA-N 0 3 330.428 1.996 20 10 EDCDHN C[C@@H](CNC[C@H](c1ccc(N(C)C)cc1)N(C)C)S(C)(=O)=O ZINC000905704737 592617050 /nfs/dbraw/zinc/61/70/50/592617050.db2.gz OMPZHXIBXWKBBI-XJKSGUPXSA-N 0 3 327.494 1.378 20 10 EDCDHN COc1cccc([O-])c1C[NH2+]CC1(N2CCOCC2)CCOCC1 ZINC000839164680 593269250 /nfs/dbraw/zinc/26/92/50/593269250.db2.gz CJLZAFUIHJSVFP-UHFFFAOYSA-N 0 3 336.432 1.372 20 10 EDCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCNS(=O)(=O)NC(C)C)c1[O-] ZINC000808716523 593282403 /nfs/dbraw/zinc/28/24/03/593282403.db2.gz PEVXAHRNEPHFOT-NSHDSACASA-N 0 3 349.884 1.837 20 10 EDCDHN CN(C)c1ccc(CNC(=O)CN2CCCCC[C@@H]2CCO)cc1 ZINC000839595647 593346833 /nfs/dbraw/zinc/34/68/33/593346833.db2.gz KJQFEFQNTQWFER-GOSISDBHSA-N 0 3 333.476 1.996 20 10 EDCDHN CN(C)c1ccc(CNC(=O)CNC(C)(C)CN2CCOCC2)cc1 ZINC000839648653 593357227 /nfs/dbraw/zinc/35/72/27/593357227.db2.gz BBTFXNIABLCWCG-UHFFFAOYSA-N 0 3 348.491 1.069 20 10 EDCDHN O=C(NCc1ccc(N2CCN(CC3CC3)CC2)cc1)[C@H]1C[C@@H](O)C1 ZINC000821487240 593845192 /nfs/dbraw/zinc/84/51/92/593845192.db2.gz QQZVEKBFBITXCX-IZAXUBKRSA-N 0 3 343.471 1.606 20 10 EDCDHN CCN1C[C@@H]([NH2+]Cc2cc(Br)cc(OC)c2[O-])CC1=O ZINC000824887296 594091063 /nfs/dbraw/zinc/09/10/63/594091063.db2.gz UDKWRKVWNIINHB-NSHDSACASA-N 0 3 343.221 1.874 20 10 EDCDHN COc1cc(Cl)cc(CN2C[C@@H](C)N(CCO)[C@@H](C)C2)c1O ZINC000824925866 594098365 /nfs/dbraw/zinc/09/83/65/594098365.db2.gz GXUWOSFKQOODNZ-TXEJJXNPSA-N 0 3 328.840 1.941 20 10 EDCDHN COc1ccc(N2CC[C@H](CNC(=O)NC3CCN(C)CC3)C2)cc1 ZINC000823230340 594173016 /nfs/dbraw/zinc/17/30/16/594173016.db2.gz ITZJIHZQAINGKU-OAHLLOKOSA-N 0 3 346.475 1.915 20 10 EDCDHN CCCN1CC[C@@H](NC(=O)C(=O)NCc2ccc(N(C)C)cc2C)C1 ZINC000828437254 594420100 /nfs/dbraw/zinc/42/01/00/594420100.db2.gz LZHDCGOEFMYAOO-MRXNPFEDSA-N 0 3 346.475 1.278 20 10 EDCDHN COC(=O)C1CCN(CCCNC(=O)Cc2ccc(N)cc2)CC1 ZINC000829436437 594613163 /nfs/dbraw/zinc/61/31/63/594613163.db2.gz PTDZVARJLOHPPY-UHFFFAOYSA-N 0 3 333.432 1.203 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNC(=O)c2cc3c(cn2)OCCO3)cc1 ZINC000832267320 594739110 /nfs/dbraw/zinc/73/91/10/594739110.db2.gz QKZQCPGXLUWPDX-CQSZACIVSA-N 0 3 342.399 1.349 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNC(=O)C2C[C@@H]3COC[C@H](C2)C3=O)cc1 ZINC000832273463 594739671 /nfs/dbraw/zinc/73/96/71/594739671.db2.gz OEEAXPHVXXRGRN-UCMJJCQDSA-N 0 3 345.443 1.110 20 10 EDCDHN CC(C)CCn1cc(C(=O)NC[C@H](N)c2ccc(N(C)C)cc2)nn1 ZINC000832274620 594739697 /nfs/dbraw/zinc/73/96/97/594739697.db2.gz WHVLCYYYBPFHHI-INIZCTEOSA-N 0 3 344.463 1.820 20 10 EDCDHN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)n1 ZINC000832285126 594740317 /nfs/dbraw/zinc/74/03/17/594740317.db2.gz OHQXEVNIZBWGFE-CYBMUJFWSA-N 0 3 346.391 1.307 20 10 EDCDHN COc1ccccc1OCC(=O)NC[C@@H](N)c1ccc(N(C)C)cc1 ZINC000832293358 594740772 /nfs/dbraw/zinc/74/07/72/594740772.db2.gz VLBYOWXBXJUTKG-MRXNPFEDSA-N 0 3 343.427 1.956 20 10 EDCDHN CCN(CC)c1ccc(CNC(=O)N2CCOC3(CNC3)C2)cc1 ZINC000841717967 594942592 /nfs/dbraw/zinc/94/25/92/594942592.db2.gz OVDQCOXMYVEOJJ-UHFFFAOYSA-N 0 3 332.448 1.417 20 10 EDCDHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)NCCc1ccc(N)cc1 ZINC000841957793 594989867 /nfs/dbraw/zinc/98/98/67/594989867.db2.gz DPFJFOBGPFEENU-HNNXBMFYSA-N 0 3 346.475 1.706 20 10 EDCDHN C[C@H](NC(=O)C(=O)N1CCC[C@H](C)[C@H]1CN)c1ccc(N(C)C)cc1 ZINC000842202164 595036512 /nfs/dbraw/zinc/03/65/12/595036512.db2.gz DVJKFDDNINMLJM-GRDNDAEWSA-N 0 3 346.475 1.516 20 10 EDCDHN CCC[C@H](O)[C@H](CO)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000842225052 595044358 /nfs/dbraw/zinc/04/43/58/595044358.db2.gz GPPNNSOOVOMBGZ-RDJZCZTQSA-N 0 3 326.412 1.274 20 10 EDCDHN COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)C[C@@H]1CC[NH2+]C1 ZINC000843489417 595128084 /nfs/dbraw/zinc/12/80/84/595128084.db2.gz NJMZGOGZUUCCSI-NSHDSACASA-N 0 3 340.807 1.547 20 10 EDCDHN COc1cccc([C@H](C)[NH2+][C@H]2CCCN(S(C)(=O)=O)C2)c1[O-] ZINC000846142451 595155621 /nfs/dbraw/zinc/15/56/21/595155621.db2.gz TZZGVEIRKUDEMW-RYUDHWBXSA-N 0 3 328.434 1.475 20 10 EDCDHN COc1cccc([C@H](C)N[C@H]2CCCN(S(C)(=O)=O)C2)c1O ZINC000846142451 595155625 /nfs/dbraw/zinc/15/56/25/595155625.db2.gz TZZGVEIRKUDEMW-RYUDHWBXSA-N 0 3 328.434 1.475 20 10 EDCDHN CCN(CC1CC1)S(=O)(=O)NC[C@@H](N)c1ccc(N(C)C)cc1 ZINC000842784156 595197344 /nfs/dbraw/zinc/19/73/44/595197344.db2.gz BZDGVOUTDIMTHX-MRXNPFEDSA-N 0 3 340.493 1.319 20 10 EDCDHN Cc1cc(CS(=O)(=O)NC[C@H](N)c2ccc(N(C)C)cc2)on1 ZINC000842784866 595197375 /nfs/dbraw/zinc/19/73/75/595197375.db2.gz MRRVVWZTTZCBTN-HNNXBMFYSA-N 0 3 338.433 1.168 20 10 EDCDHN C[C@@H]1C[C@H](S(=O)(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)CCO1 ZINC000842785488 595198168 /nfs/dbraw/zinc/19/81/68/595198168.db2.gz NXFKSOULLOYZHS-DAXOMENPSA-N 0 3 341.477 1.239 20 10 EDCDHN Cn1[nH]cnc1=NCc1ccc(N2CCN(CC3CC3)CC2)cc1 ZINC000846752923 595313037 /nfs/dbraw/zinc/31/30/37/595313037.db2.gz WJTLVLCLFQBCLJ-UHFFFAOYSA-N 0 3 326.448 1.381 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNC(=O)[C@H]2CCc3nccn3C2)cc1 ZINC000848393300 595372824 /nfs/dbraw/zinc/37/28/24/595372824.db2.gz YAJXVXBESSYTJL-GOEBONIOSA-N 0 3 327.432 1.328 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)c2cc(C(C)(C)N)no2)cc1 ZINC000852791759 595544593 /nfs/dbraw/zinc/54/45/93/595544593.db2.gz LUIIYEDJHITKOI-ZDUSSCGKSA-N 0 3 331.420 1.364 20 10 EDCDHN CCOC1(C(=O)NC[C@H](N)c2ccc(N(C)C)cc2)CCOCC1 ZINC000852791461 595545019 /nfs/dbraw/zinc/54/50/19/595545019.db2.gz HUZPUEXGAWASGW-INIZCTEOSA-N 0 3 335.448 1.454 20 10 EDCDHN NC[C@H]1CC(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)=NO1 ZINC000852882504 595597050 /nfs/dbraw/zinc/59/70/50/595597050.db2.gz JBEUDFKPJZBIRA-ZIAGYGMSSA-N 0 3 333.388 1.003 20 10 EDCDHN O=C(NCC1CC[NH+](C2CCOCC2)CC1)c1cccc(O)c1[O-] ZINC000855200534 595623818 /nfs/dbraw/zinc/62/38/18/595623818.db2.gz DOAODKYOIKGVOR-UHFFFAOYSA-N 0 3 334.416 1.719 20 10 EDCDHN COc1cc(Br)cc(CN[C@@H](C)C(=O)N(C)OC)c1O ZINC000858320338 595763740 /nfs/dbraw/zinc/76/37/40/595763740.db2.gz SZQZSHGFDQKUEE-QMMMGPOBSA-N 0 3 347.209 1.661 20 10 EDCDHN CCOC(=O)C[C@H](O)CN1CCCN(c2ccc(OC)cc2)CC1 ZINC000859085705 595971730 /nfs/dbraw/zinc/97/17/30/595971730.db2.gz BOWYLCZXUANEFL-INIZCTEOSA-N 0 3 336.432 1.521 20 10 EDCDHN Cc1cc(O)c(CN2CC[C@H](NS(C)(=O)=O)C2)cc1C(C)C ZINC000116870054 596151130 /nfs/dbraw/zinc/15/11/30/596151130.db2.gz UQUIQOOCYUKILI-AWEZNQCLSA-N 0 3 326.462 1.948 20 10 EDCDHN CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@](O)(C3CC3)C2)cc1 ZINC000852503323 596184539 /nfs/dbraw/zinc/18/45/39/596184539.db2.gz SNHOUELWAWUSBJ-HXUWFJFHSA-N 0 3 345.487 1.948 20 10 EDCDHN CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2cc3c(cc2[O-])CCC3)C1 ZINC000863339676 596556173 /nfs/dbraw/zinc/55/61/73/596556173.db2.gz FIJQHKFXCWNYEJ-CYBMUJFWSA-N 0 3 338.473 1.642 20 10 EDCDHN CNS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])CCC3)C1 ZINC000863339676 596556174 /nfs/dbraw/zinc/55/61/74/596556174.db2.gz FIJQHKFXCWNYEJ-CYBMUJFWSA-N 0 3 338.473 1.642 20 10 EDCDHN CCOCc1cc(CNCc2nc(C[NH3+])cc(=O)[n-]2)ccc1OC ZINC000863648725 596644645 /nfs/dbraw/zinc/64/46/45/596644645.db2.gz FUUFNQIKPRNBTD-UHFFFAOYSA-N 0 3 332.404 1.476 20 10 EDCDHN C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)CNCC2)c1ccccc1O ZINC000868309414 596782356 /nfs/dbraw/zinc/78/23/56/596782356.db2.gz IEYIKWVRUAHRTQ-GFCCVEGCSA-N 0 3 339.395 1.854 20 10 EDCDHN COc1ccc(CN[C@H]2C(=O)NCC[C@H]2C)cc1Cn1cccn1 ZINC000873122783 597203418 /nfs/dbraw/zinc/20/34/18/597203418.db2.gz WFPAOWNZQCHDCX-CXAGYDPISA-N 0 3 328.416 1.554 20 10 EDCDHN COc1cccc([C@H](N)C(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)c1 ZINC000876506764 597224267 /nfs/dbraw/zinc/22/42/67/597224267.db2.gz OHRQOJPIJQEVEM-MSOLQXFVSA-N 0 3 342.443 1.577 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNC(=O)Cc2cnn3c2CCCC3)cc1 ZINC000876507169 597224653 /nfs/dbraw/zinc/22/46/53/597224653.db2.gz XEDDGXCKZUYIQK-QGZVFWFLSA-N 0 3 341.459 1.644 20 10 EDCDHN CN(C)c1ccc(CNC(=O)C(=O)N2CCN(C)C(C)(C)CC2)cc1 ZINC000875006383 597241404 /nfs/dbraw/zinc/24/14/04/597241404.db2.gz JDQJGYROAOSJBG-UHFFFAOYSA-N 0 3 346.475 1.312 20 10 EDCDHN Cc1cccc(O)c1CN1CCN(c2ncccc2C(N)=O)CC1 ZINC000876577353 597246773 /nfs/dbraw/zinc/24/67/73/597246773.db2.gz WPVJEGVTWZNWCG-UHFFFAOYSA-N 0 3 326.400 1.517 20 10 EDCDHN Cc1ccc(O)c(CNC(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)c1 ZINC000875048530 597260200 /nfs/dbraw/zinc/26/02/00/597260200.db2.gz UCHKOWDXCKIARG-KRWDZBQOSA-N 0 3 348.491 1.772 20 10 EDCDHN CCN(CC)c1ccc(CNC(=O)c2c(CN)cnn2C)cc1F ZINC000876755247 597323749 /nfs/dbraw/zinc/32/37/49/597323749.db2.gz IFQWWYLLHREPLM-UHFFFAOYSA-N 0 3 333.411 1.794 20 10 EDCDHN COc1ccc(N2CCN(C(=O)[C@H](N)CC(F)F)CC2)c(OC)c1 ZINC000877227007 597466821 /nfs/dbraw/zinc/46/68/21/597466821.db2.gz ACEVRFHGRPHGDK-GFCCVEGCSA-N 0 3 343.374 1.335 20 10 EDCDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000877514316 597528964 /nfs/dbraw/zinc/52/89/64/597528964.db2.gz JMCXDSFGQACGQX-CQSZACIVSA-N 0 3 326.462 1.804 20 10 EDCDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000877514316 597528965 /nfs/dbraw/zinc/52/89/65/597528965.db2.gz JMCXDSFGQACGQX-CQSZACIVSA-N 0 3 326.462 1.804 20 10 EDCDHN COc1cc(O)c(CNC[C@H](n2cncn2)C(F)(F)F)cc1OC ZINC000877675614 597547086 /nfs/dbraw/zinc/54/70/86/597547086.db2.gz SQDOPNUYARVDHW-ZDUSSCGKSA-N 0 3 346.309 1.894 20 10 EDCDHN COc1c([O-])c(C[NH2+]C[C@H]2CN3CCC[C@H]3CO2)ccc1[N+](=O)[O-] ZINC000365492174 250187276 /nfs/dbraw/zinc/18/72/76/250187276.db2.gz LYPCFMHCAAJFEL-STQMWFEESA-N 0 3 337.376 1.262 20 10 EDCDHN CN1CCc2cc(CNC(=O)N3CC[C@@H]4CCN(C)C[C@@H]43)ccc21 ZINC000372466859 250221183 /nfs/dbraw/zinc/22/11/83/250221183.db2.gz RFAWZHKIWQASTG-YJBOKZPZSA-N 0 3 328.460 1.915 20 10 EDCDHN Cn1ccc(N2CC[C@H](NCc3ccc4c(c3)CCN4C)C2=O)n1 ZINC000378251792 250298211 /nfs/dbraw/zinc/29/82/11/250298211.db2.gz NAVIDZFXTJGZCT-HNNXBMFYSA-N 0 3 325.416 1.308 20 10 EDCDHN COc1cccc(C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)c1[O-] ZINC000124498151 533479469 /nfs/dbraw/zinc/47/94/69/533479469.db2.gz JAFRMIVFLPWZMJ-HNNXBMFYSA-N 0 3 334.416 1.472 20 10 EDCDHN COc1cccc(C[N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)c1[O-] ZINC000124498151 533479472 /nfs/dbraw/zinc/47/94/72/533479472.db2.gz JAFRMIVFLPWZMJ-HNNXBMFYSA-N 0 3 334.416 1.472 20 10 EDCDHN CN(C)c1ccc(CN2CCC([C@]3(C)NC(=O)NC3=O)CC2)cc1F ZINC000378344259 447419969 /nfs/dbraw/zinc/41/99/69/447419969.db2.gz YTKGHDOKVAFMGO-SFHVURJKSA-N 0 3 348.422 1.702 20 10 EDCDHN CCOc1cccc(CN2CCC(N(C)S(C)(=O)=O)CC2)c1O ZINC000092530015 441806712 /nfs/dbraw/zinc/80/67/12/441806712.db2.gz UQWLKUVQZAPMAN-UHFFFAOYSA-N 0 3 342.461 1.647 20 10 EDCDHN O=C1NC(=O)[C@@]2(CCCN(Cc3ccc(N4CCCCC4)cc3)C2)N1 ZINC000193465166 442745299 /nfs/dbraw/zinc/74/52/99/442745299.db2.gz PJXMZOSEQLSKDD-IBGZPJMESA-N 0 3 342.443 1.851 20 10 EDCDHN CC[C@H](C)[C@H](N)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000236892339 443151362 /nfs/dbraw/zinc/15/13/62/443151362.db2.gz AMDKMFZUPFGELV-SJCJKPOMSA-N 0 3 337.439 1.776 20 10 EDCDHN CCOC(=O)[C@@H](C)[C@H](C)NCC(=O)NCc1ccc(N(C)C)cc1 ZINC000282976689 443485501 /nfs/dbraw/zinc/48/55/01/443485501.db2.gz DCVWCTPTEXTXBU-KBPBESRZSA-N 0 3 335.448 1.546 20 10 EDCDHN CCCNC(=O)C[C@H](C(N)=O)N(CCC)Cc1ccc(N(C)C)cc1 ZINC000278864203 443466939 /nfs/dbraw/zinc/46/69/39/443466939.db2.gz NKDDQLYIXVVKNB-QGZVFWFLSA-N 0 3 348.491 1.735 20 10 EDCDHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000283457721 443638696 /nfs/dbraw/zinc/63/86/96/443638696.db2.gz KUUQVUAIRXZWGK-HNNXBMFYSA-N 0 3 346.475 1.359 20 10 EDCDHN c1cn([C@@H]2COC[C@@H]2NCc2ccc(N3CCCCC3)cc2)nn1 ZINC000284843030 443789932 /nfs/dbraw/zinc/78/99/32/443789932.db2.gz PWLJUSGSEJPMLK-ZWKOTPCHSA-N 0 3 327.432 1.998 20 10 EDCDHN COc1cc(O)c(CN[C@@H]2CCCC[C@H]2S(C)(=O)=O)cc1OC ZINC000292835441 443855022 /nfs/dbraw/zinc/85/50/22/443855022.db2.gz RQMCTLUHOUDVKY-MLGOLLRUSA-N 0 3 343.445 1.855 20 10 EDCDHN Cc1cc(CN2CCN(CCC(=O)N(C)C)CC2)ccc1N(C)C ZINC000292906102 443874849 /nfs/dbraw/zinc/87/48/49/443874849.db2.gz WLBWRHONWJVNBI-UHFFFAOYSA-N 0 3 332.492 1.657 20 10 EDCDHN CCN1CCN(c2ccc(CNC(=O)[C@H](C)NC3CC3)cc2F)CC1 ZINC000295004440 444163753 /nfs/dbraw/zinc/16/37/53/444163753.db2.gz IIWYNKZSUUUHSC-AWEZNQCLSA-N 0 3 348.466 1.724 20 10 EDCDHN CN(C)c1ccc(CNC(=O)CN[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)cc1 ZINC000296367386 444224300 /nfs/dbraw/zinc/22/43/00/444224300.db2.gz SMKSDZFHRXXUMR-CGTJXYLNSA-N 0 3 331.460 1.772 20 10 EDCDHN COc1ccc(O)c(CN2CCC(N3CCN(C)CC3=O)CC2)c1 ZINC000364110892 445896351 /nfs/dbraw/zinc/89/63/51/445896351.db2.gz SRWQLGYICADFRW-UHFFFAOYSA-N 0 3 333.432 1.139 20 10 EDCDHN CCCN1CCN(C2CCN(C(=O)Cc3ccc(N)cc3)CC2)CC1 ZINC000366326675 446152837 /nfs/dbraw/zinc/15/28/37/446152837.db2.gz RKRZSELSASUWCE-UHFFFAOYSA-N 0 3 344.503 1.830 20 10 EDCDHN CC[C@H]([NH2+]C1CCN(c2nnnn2C)CC1)c1ccc(C)cc1[O-] ZINC000366417018 446200961 /nfs/dbraw/zinc/20/09/61/446200961.db2.gz HKYNVNCFIDLOMM-HNNXBMFYSA-N 0 3 330.436 1.934 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCC[C@@H]1C1CC1)cc2=O ZINC000377542221 447193560 /nfs/dbraw/zinc/19/35/60/447193560.db2.gz FODITWQYFZSQFF-CQSZACIVSA-N 0 3 330.388 1.986 20 10 EDCDHN CCN(CC)c1ccc(CNCCNS(=O)(=O)N(C)C)cc1F ZINC000298027918 520905532 /nfs/dbraw/zinc/90/55/32/520905532.db2.gz FNMUMPJEPFTAEU-UHFFFAOYSA-N 0 3 346.472 1.158 20 10 EDCDHN COc1ccc(N2CCN(C(=O)CN(C[C@@H](C)O)C(C)C)CC2)cc1 ZINC000730420240 578648117 /nfs/dbraw/zinc/64/81/17/578648117.db2.gz UKJJTQJMVHMYAU-MRXNPFEDSA-N 0 3 349.475 1.435 20 10 EDCDHN COC(=O)c1cn([C@H]2CCN(Cc3cc(C)cc(OC)c3O)C2)nn1 ZINC000760540351 580033212 /nfs/dbraw/zinc/03/32/12/580033212.db2.gz IGBXNAQYTUCPJO-ZDUSSCGKSA-N 0 3 346.387 1.534 20 10 EDCDHN CCOc1ccc(C[N@@H+]2CC[C@@H](n3cc(C(=O)OC)nn3)C2)c([O-])c1 ZINC000761227031 580052231 /nfs/dbraw/zinc/05/22/31/580052231.db2.gz ZAGYSQXTSKWAEX-CYBMUJFWSA-N 0 3 346.387 1.616 20 10 EDCDHN CCOc1ccc(C[N@H+]2CC[C@@H](n3cc(C(=O)OC)nn3)C2)c([O-])c1 ZINC000761227031 580052232 /nfs/dbraw/zinc/05/22/32/580052232.db2.gz ZAGYSQXTSKWAEX-CYBMUJFWSA-N 0 3 346.387 1.616 20 10 EDCDHN COc1ccc(N2CCN(C[C@@H](O)Cn3ccnc3C)CC2)cc1 ZINC000754073951 579895635 /nfs/dbraw/zinc/89/56/35/579895635.db2.gz DZJZNLUOXOGLAP-QGZVFWFLSA-N 0 3 330.432 1.383 20 10 EDCDHN C[C@@H](NC[C@H](O)C[NH+](C)C)c1cc(Br)c(F)cc1[O-] ZINC000756557937 579952522 /nfs/dbraw/zinc/95/25/22/579952522.db2.gz YOOQABPQHJLUPF-BDAKNGLRSA-N 0 3 335.217 1.867 20 10 EDCDHN CCO[C@H]1COCC[C@H]1NCc1ccc(N2CCOCC2)c(F)c1 ZINC000759173891 580000175 /nfs/dbraw/zinc/00/01/75/580000175.db2.gz QOGIFPREAXNGSC-AEFFLSMTSA-N 0 3 338.423 1.946 20 10 EDCDHN C[N@H+](CC1CC1)C[C@@H]1CCN(Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768465505 580214090 /nfs/dbraw/zinc/21/40/90/580214090.db2.gz IEVHYYBGLRYQAS-KSSFIOAISA-N 0 3 332.444 1.982 20 10 EDCDHN C[N@@H+](CC1CC1)C[C@@H]1CCN(Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768465505 580214091 /nfs/dbraw/zinc/21/40/91/580214091.db2.gz IEVHYYBGLRYQAS-KSSFIOAISA-N 0 3 332.444 1.982 20 10 EDCDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000771656342 580291720 /nfs/dbraw/zinc/29/17/20/580291720.db2.gz DBHMHHINPILAGG-YVZNUBBCSA-N 0 3 333.432 1.253 20 10 EDCDHN O[C@@H](CNCc1ccc(N2CCOCC2)c(F)c1)c1cccnc1 ZINC000771978172 580299986 /nfs/dbraw/zinc/29/99/86/580299986.db2.gz JTGBBBGWWJDNRX-SFHVURJKSA-N 0 3 331.391 1.881 20 10 EDCDHN COC(=O)[C@@]1(F)CCN(Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000775735804 580399024 /nfs/dbraw/zinc/39/90/24/580399024.db2.gz XXNHQHCMXFQONS-GOSISDBHSA-N 0 3 335.423 1.525 20 10 EDCDHN COC(=O)[C@@H](O)C1CCN(Cc2cc(OC)c(OC)cc2O)CC1 ZINC000775741835 580399231 /nfs/dbraw/zinc/39/92/31/580399231.db2.gz RHICDDGTRBPSCN-INIZCTEOSA-N 0 3 339.388 1.155 20 10 EDCDHN COCCS(=O)(=O)CCCN[C@H](C)c1ccc(N(C)C)cc1 ZINC000775835194 580402242 /nfs/dbraw/zinc/40/22/42/580402242.db2.gz FZUWQXJICFQTHV-CQSZACIVSA-N 0 3 328.478 1.855 20 10 EDCDHN CN1CCC[C@@H](N2CCN(C(=O)/C=C\c3ccc(O)c(O)c3)CC2)C1 ZINC000779517660 580487765 /nfs/dbraw/zinc/48/77/65/580487765.db2.gz DBSGVDMPSAXXLB-GMNBZTITSA-N 0 3 345.443 1.349 20 10 EDCDHN CC1(C)CN(Cc2cc3c(cc2O)OC[C@H]3O)C[C@@]2(CCOC2)O1 ZINC000794695493 580903177 /nfs/dbraw/zinc/90/31/77/580903177.db2.gz QZMVAGGAAPHRBA-CRAIPNDOSA-N 0 3 335.400 1.588 20 10 EDCDHN C=CC(=O)N(C)CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891246627 591016761 /nfs/dbraw/zinc/01/67/61/591016761.db2.gz CPBBBYAXTHXFOF-INIZCTEOSA-N 0 3 332.448 1.116 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCC(=O)N2C)N(C)C)cc1 ZINC000891248415 591017019 /nfs/dbraw/zinc/01/70/19/591017019.db2.gz LLCUVVJEAJWKFV-JKSUJKDBSA-N 0 3 332.448 1.092 20 10 EDCDHN Cc1nonc1CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891248474 591017157 /nfs/dbraw/zinc/01/71/57/591017157.db2.gz NDANCZYEJOFTRD-INIZCTEOSA-N 0 3 331.420 1.406 20 10 EDCDHN Cc1nn(C)cc1CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891248902 591018807 /nfs/dbraw/zinc/01/88/07/591018807.db2.gz OKEMHVIPHPEDFI-SFHVURJKSA-N 0 3 343.475 1.756 20 10 EDCDHN Cc1nnccc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891252715 591020549 /nfs/dbraw/zinc/02/05/49/591020549.db2.gz MWSSBWHFYXRTET-QGZVFWFLSA-N 0 3 327.432 1.884 20 10 EDCDHN CN1C[C@H]2[C@@H](CCN2C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000892491745 591047738 /nfs/dbraw/zinc/04/77/38/591047738.db2.gz GYSKVSKWQQIPIK-WMZOPIPTSA-N 0 3 328.460 1.915 20 10 EDCDHN COc1ccc(CNC(=O)NC[C@@H]2Cc3ccccc3CN2)c(O)c1 ZINC000892798767 591181781 /nfs/dbraw/zinc/18/17/81/591181781.db2.gz JHZOWPMLHGEYPX-INIZCTEOSA-N 0 3 341.411 1.915 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)N[C@H]2CCCOC2)N(C)C)cc1 ZINC000892857198 591205390 /nfs/dbraw/zinc/20/53/90/591205390.db2.gz TXPOLIVJTCIZCH-DOTOQJQBSA-N 0 3 334.464 1.834 20 10 EDCDHN CSCCONC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000894541252 591337873 /nfs/dbraw/zinc/33/78/73/591337873.db2.gz WAMVTZSYQCCMKT-OAHLLOKOSA-N 0 3 340.493 1.949 20 10 EDCDHN C[C@H](CS(C)(=O)=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898450252 591353402 /nfs/dbraw/zinc/35/34/02/591353402.db2.gz PIYBKQPZPGSRMW-CJNGLKHVSA-N 0 3 327.494 1.378 20 10 EDCDHN COc1cc(C)cc(CNCCS(=O)(=O)C2CCOCC2)c1O ZINC000894903201 591467131 /nfs/dbraw/zinc/46/71/31/591467131.db2.gz OHCJUCOQCAIJPN-UHFFFAOYSA-N 0 3 343.445 1.393 20 10 EDCDHN COC(=O)c1c(CNC[C@]2(C)CCC(=O)N2)c2cc(F)ccc2n1C ZINC000894967730 591501863 /nfs/dbraw/zinc/50/18/63/591501863.db2.gz QSPPDZWPTCKGKT-SFHVURJKSA-N 0 3 347.390 1.862 20 10 EDCDHN CN(C)c1ccc([C@@H](CNc2nccn3cnnc23)N(C)C)cc1 ZINC000897525502 591528991 /nfs/dbraw/zinc/52/89/91/591528991.db2.gz PGLGYNKRZCWMHH-OAHLLOKOSA-N 0 3 325.420 1.905 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)NC2CC(CCO)C2)N(C)C)cc1 ZINC000899096880 591677262 /nfs/dbraw/zinc/67/72/62/591677262.db2.gz WIUYZJKAMOWFKF-PVARCSIZSA-N 0 3 348.491 1.816 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)N2CCC[C@H]2CCO)N(C)C)cc1 ZINC000899099302 591689012 /nfs/dbraw/zinc/68/90/12/591689012.db2.gz YMRWQZICLXFKDF-ZWKOTPCHSA-N 0 3 348.491 1.912 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)NCCN2CCC2)N(C)C)cc1 ZINC000899100951 591689948 /nfs/dbraw/zinc/68/99/48/591689948.db2.gz DMYFPEUSSVMAJQ-QGZVFWFLSA-N 0 3 333.480 1.360 20 10 EDCDHN CCOC(=O)N1C[C@@H](CO)[C@H]([NH2+]Cc2ccc(OCC)cc2[O-])C1 ZINC000898358321 591889449 /nfs/dbraw/zinc/88/94/49/591889449.db2.gz DHGBOFREDGYBLB-DZGCQCFKSA-N 0 3 338.404 1.330 20 10 EDCDHN CCN(CC)c1ccc(CNC[C@@H](O)C2(O)CCOCC2)cc1F ZINC000905104059 592408213 /nfs/dbraw/zinc/40/82/13/592408213.db2.gz DFFHYRAZSWIJHH-QGZVFWFLSA-N 0 3 340.439 1.664 20 10 EDCDHN C[C@@H]1c2c[nH]nc2CC[C@@H]1C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1 ZINC000911668214 592974438 /nfs/dbraw/zinc/97/44/38/592974438.db2.gz WJPWXRBMPQHTAB-YLQAJVPDSA-N 0 3 341.459 1.958 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNC(=O)C[C@@](C)(O)C(F)(F)F)cc1 ZINC000911667724 592974538 /nfs/dbraw/zinc/97/45/38/592974538.db2.gz RDDAMTINJPHZMG-TZMCWYRMSA-N 0 3 333.354 1.572 20 10 EDCDHN CCOC(=O)CN(Cc1ccccc1O)C(=O)CN(C)C1CCC1 ZINC000911304018 592985447 /nfs/dbraw/zinc/98/54/47/592985447.db2.gz SLEOHWRVTJJSRH-UHFFFAOYSA-N 0 3 334.416 1.768 20 10 EDCDHN C[C@@H](O)[C@@H]1C[C@H](C)CCN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839574522 593341446 /nfs/dbraw/zinc/34/14/46/593341446.db2.gz HTKIDMLKZMKESK-RKVPGOIHSA-N 0 3 333.476 1.850 20 10 EDCDHN C[C@H](O)[C@H]1C[C@H](C)CCN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839574524 593341576 /nfs/dbraw/zinc/34/15/76/593341576.db2.gz HTKIDMLKZMKESK-RVKKMQEKSA-N 0 3 333.476 1.850 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@H](C)C1(OC)CCC1)cc2=O ZINC000839660590 593358620 /nfs/dbraw/zinc/35/86/20/593358620.db2.gz MWJZKIVIBCOTBY-LLVKDONJSA-N 0 3 348.403 1.659 20 10 EDCDHN CCOc1ccc(C[N@@H+]2CCC[C@H](n3cc(CO)nn3)C2)c([O-])c1 ZINC000816642276 593537096 /nfs/dbraw/zinc/53/70/96/593537096.db2.gz VFAPWFKFZYTGMZ-HNNXBMFYSA-N 0 3 332.404 1.712 20 10 EDCDHN CCOc1ccc(C[N@H+]2CCC[C@H](n3cc(CO)nn3)C2)c([O-])c1 ZINC000816642276 593537097 /nfs/dbraw/zinc/53/70/97/593537097.db2.gz VFAPWFKFZYTGMZ-HNNXBMFYSA-N 0 3 332.404 1.712 20 10 EDCDHN CN(C)c1ccc(CN(C)C(=O)C(=O)N2CCCC[C@H]2CN)cc1 ZINC000817989854 593654121 /nfs/dbraw/zinc/65/41/21/593654121.db2.gz RXSHMAWOIHTZBE-INIZCTEOSA-N 0 3 332.448 1.051 20 10 EDCDHN COc1ccc(N2CC[C@H](CNC(=O)[C@H](N)CCSC)C2)cc1 ZINC000818323747 593692816 /nfs/dbraw/zinc/69/28/16/593692816.db2.gz IOUGEDAOZGQUOL-CZUORRHYSA-N 0 3 337.489 1.718 20 10 EDCDHN CCOC(=O)[C@@H]1CN(Cc2cc3c(cc2O)OCO3)CC12COC2 ZINC000824490013 594023812 /nfs/dbraw/zinc/02/38/12/594023812.db2.gz SHHVYJUMQJIJNG-LBPRGKRZSA-N 0 3 335.356 1.132 20 10 EDCDHN CN(C)C(=O)N(C)[C@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000827544725 594229393 /nfs/dbraw/zinc/22/93/93/594229393.db2.gz IYDRKGYNAPHXAI-SFHVURJKSA-N 0 3 346.475 1.711 20 10 EDCDHN O=C1CCCN1C[C@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000827640106 594250171 /nfs/dbraw/zinc/25/01/71/594250171.db2.gz ROJXLXANDYWWEC-SFHVURJKSA-N 0 3 343.471 1.968 20 10 EDCDHN CC(C)NC(=O)CCCC(=O)NC[C@@H](N)c1ccc(N(C)C)cc1 ZINC000832272969 594739404 /nfs/dbraw/zinc/73/94/04/594739404.db2.gz KRAIIJJGTGPDEA-MRXNPFEDSA-N 0 3 334.464 1.564 20 10 EDCDHN CC(=O)N1CCC[C@H](C(=O)NC[C@H](N)c2ccc(N(C)C)cc2)C1 ZINC000832292448 594740618 /nfs/dbraw/zinc/74/06/18/594740618.db2.gz HBFBYHVUQHIGCE-RDJZCZTQSA-N 0 3 332.448 1.127 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)CNC(=O)c2ccccc2)cc1 ZINC000832292531 594740652 /nfs/dbraw/zinc/74/06/52/594740652.db2.gz IJPHWANFLDTYJO-KRWDZBQOSA-N 0 3 340.427 1.299 20 10 EDCDHN Cc1cc(N2CC[C@H](NCc3ccc(N(C)C)cc3C)C2=O)n(C)n1 ZINC000840934976 594829855 /nfs/dbraw/zinc/82/98/55/594829855.db2.gz AJXSQUZPBVIKEZ-KRWDZBQOSA-N 0 3 341.459 1.998 20 10 EDCDHN Cc1cc(N(C)C)ccc1CNC[C@@H]1CCCCN1S(C)(=O)=O ZINC000840947508 594831193 /nfs/dbraw/zinc/83/11/93/594831193.db2.gz XBWGVQKRVGWHMP-KRWDZBQOSA-N 0 3 339.505 1.965 20 10 EDCDHN CN(C)c1ccc(CNC(=O)C(=O)N[C@H](CN)C2CCCCC2)cc1 ZINC000842036633 595006550 /nfs/dbraw/zinc/00/65/50/595006550.db2.gz PRSNJLVUKODQKO-QGZVFWFLSA-N 0 3 346.475 1.393 20 10 EDCDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)C(=O)NCCc1ccc(N)cc1 ZINC000842238602 595050024 /nfs/dbraw/zinc/05/00/24/595050024.db2.gz UHTHQRQRYFKUOO-GASCZTMLSA-N 0 3 346.475 1.307 20 10 EDCDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)C(=O)NCCc1ccc(N)cc1 ZINC000842238603 595050231 /nfs/dbraw/zinc/05/02/31/595050231.db2.gz UHTHQRQRYFKUOO-GJZGRUSLSA-N 0 3 346.475 1.307 20 10 EDCDHN C[C@H](CN)NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000842253807 595056816 /nfs/dbraw/zinc/05/68/16/595056816.db2.gz PHEJYIOULNXFAC-CQSZACIVSA-N 0 3 332.448 1.099 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNC(=O)Cc2cnn3ccccc23)cc1 ZINC000843298042 595066147 /nfs/dbraw/zinc/06/61/47/595066147.db2.gz LRPHFTAPJATRKF-QGZVFWFLSA-N 0 3 337.427 1.759 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)[C@@H]2CCCc3n[nH]cc32)cc1 ZINC000843299535 595066663 /nfs/dbraw/zinc/06/66/63/595066663.db2.gz XJVZYFJGJPVCJZ-ZBFHGGJFSA-N 0 3 327.432 1.712 20 10 EDCDHN CN1CCN(c2ccc(CN[C@H]3CCN(C(C)(C)C)C3=O)cc2)CC1 ZINC000842720174 595180066 /nfs/dbraw/zinc/18/00/66/595180066.db2.gz CYZUBVPVKGRAIG-SFHVURJKSA-N 0 3 344.503 1.927 20 10 EDCDHN COCC[C@@H](C)S(=O)(=O)NC[C@@H](N)c1ccc(N(C)C)cc1 ZINC000842785110 595197596 /nfs/dbraw/zinc/19/75/96/595197596.db2.gz OXVQVHRPSBYOQQ-IUODEOHRSA-N 0 3 329.466 1.097 20 10 EDCDHN CN(C)c1ccc(CN(C)C(=O)CN2CCNC[C@](C)(F)C2)cc1 ZINC000844224474 595308491 /nfs/dbraw/zinc/30/84/91/595308491.db2.gz FREDWKKCNPLLDQ-SFHVURJKSA-N 0 3 336.455 1.344 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)C(C)(C)n2cc(N)cn2)cc1 ZINC000852792310 595545032 /nfs/dbraw/zinc/54/50/32/595545032.db2.gz VKLIUYFMSAMUKL-HNNXBMFYSA-N 0 3 330.436 1.083 20 10 EDCDHN Nc1ccc(NC(=O)C(=O)N[C@H]2CCN(C3CCCCC3)C2)cc1 ZINC000850846209 595652640 /nfs/dbraw/zinc/65/26/40/595652640.db2.gz LZWLITVDMUODKH-HNNXBMFYSA-N 0 3 330.432 1.731 20 10 EDCDHN COc1cc(CN[C@@H]2CCS(=O)(=O)C2)c(O)c(C(C)(C)C)c1 ZINC000850012909 595717921 /nfs/dbraw/zinc/71/79/21/595717921.db2.gz RTXKXFGXYUJPDY-GFCCVEGCSA-N 0 3 327.446 1.975 20 10 EDCDHN COC(=O)CNC(=O)CCN(Cc1ccco1)Cc1ccccc1O ZINC000111232833 595730951 /nfs/dbraw/zinc/73/09/51/595730951.db2.gz IEAPZOGETLFXND-UHFFFAOYSA-N 0 3 346.383 1.667 20 10 EDCDHN COc1cc(Br)cc(C[NH2+][C@H]2C[C@H](C(N)=O)C2)c1[O-] ZINC000858249826 595742935 /nfs/dbraw/zinc/74/29/35/595742935.db2.gz YGJQIHNULDTMPE-GVJMRKKJSA-N 0 3 329.194 1.517 20 10 EDCDHN CCNS(=O)(=O)CCNCc1cc(OC)cc(C(C)(C)C)c1O ZINC000850130419 595748802 /nfs/dbraw/zinc/74/88/02/595748802.db2.gz JXJBYXNUVPUOHC-UHFFFAOYSA-N 0 3 344.477 1.727 20 10 EDCDHN COCCN1CCC[C@@H]1CNC(=O)NCc1ccc(N(C)C)cc1 ZINC000111413439 595808805 /nfs/dbraw/zinc/80/88/05/595808805.db2.gz VHVDCVXHOXVLHO-QGZVFWFLSA-N 0 3 334.464 1.663 20 10 EDCDHN COc1cccc(CNCCS(=O)(=O)CC(F)(F)F)c1O ZINC000850364030 595820137 /nfs/dbraw/zinc/82/01/37/595820137.db2.gz OZQFOABEFBEWLQ-UHFFFAOYSA-N 0 3 327.324 1.468 20 10 EDCDHN CN(C)c1ccc(CN2CCC(n3cc(C(N)=O)nn3)CC2)cc1 ZINC000859594314 596141576 /nfs/dbraw/zinc/14/15/76/596141576.db2.gz WIHMWRAIFUTESI-UHFFFAOYSA-N 0 3 328.420 1.280 20 10 EDCDHN COc1ccc(N2CC[C@@H](NC(=O)N3CCN4CCC3CC4)C2)cc1 ZINC000852451605 596168461 /nfs/dbraw/zinc/16/84/61/596168461.db2.gz OCVZJKPVNDIBMQ-OAHLLOKOSA-N 0 3 344.459 1.764 20 10 EDCDHN CCN(CCN)C(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000863752908 596673988 /nfs/dbraw/zinc/67/39/88/596673988.db2.gz IIKFAFHIHJDZIP-UHFFFAOYSA-N 0 3 346.475 1.443 20 10 EDCDHN CCN(CCN)C(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000863751803 596674044 /nfs/dbraw/zinc/67/40/44/596674044.db2.gz NOWYVIGYXJPCRG-UHFFFAOYSA-N 0 3 332.448 1.051 20 10 EDCDHN COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000866441334 596887628 /nfs/dbraw/zinc/88/76/28/596887628.db2.gz ZOGIVOFJEZYMQL-WDCWCFNPSA-N 0 3 338.379 1.735 20 10 EDCDHN CCCOc1ccc(CNC[C@]2(O)CCS(=O)(=O)C2)cc1C ZINC000873128710 597205959 /nfs/dbraw/zinc/20/59/59/597205959.db2.gz AOQQCNDJDVVXKS-MRXNPFEDSA-N 0 3 327.446 1.423 20 10 EDCDHN Cc1cccc([O-])c1C[NH2+]CCCN1CCN(c2ncccn2)CC1 ZINC000876923345 597386036 /nfs/dbraw/zinc/38/60/36/597386036.db2.gz VDNRBOLCTRQHER-UHFFFAOYSA-N 0 3 341.459 1.793 20 10 EDCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000876970550 597402038 /nfs/dbraw/zinc/40/20/38/597402038.db2.gz UUTSWROKAGRSIC-CYBMUJFWSA-N 0 3 331.368 1.959 20 10 EDCDHN COc1ccc(N2CCN(C[C@@]3(OC)CCOC3)CC2)c(OC)c1 ZINC000877708196 597549136 /nfs/dbraw/zinc/54/91/36/597549136.db2.gz CUVJFNRVEUBGOV-SFHVURJKSA-N 0 3 336.432 1.631 20 10 EDCDHN Cc1cc(O)c(CN2CC[C@H](S(=O)(=O)NC(C)C)C2)cc1C ZINC000135462000 237248580 /nfs/dbraw/zinc/24/85/80/237248580.db2.gz LGWSTMIOTLUDMB-HNNXBMFYSA-N 0 3 326.462 1.911 20 10 EDCDHN C[C@@H]1C[C@@H]1N1C[C@H](NCc2ccc(N3CCOCC3)cc2)CC1=O ZINC000377836587 250293384 /nfs/dbraw/zinc/29/33/84/250293384.db2.gz CKHBMGUSMHAMRT-KYJSFNMBSA-N 0 3 329.444 1.622 20 10 EDCDHN C[C@@H](N[C@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(N(C)C)cc1 ZINC000090017887 533544820 /nfs/dbraw/zinc/54/48/20/533544820.db2.gz VNKAKZUNONTCJP-DYVFJYSZSA-N 0 3 327.432 1.942 20 10 EDCDHN CNC(=O)NC(=O)CN(C)C1CCN(c2ccc(OC)cc2)CC1 ZINC000072801362 441261005 /nfs/dbraw/zinc/26/10/05/441261005.db2.gz PIMFRIMFRFWRDH-UHFFFAOYSA-N 0 3 334.420 1.051 20 10 EDCDHN CN(C)c1ccc(CNC(=O)CN[C@H]2CCCC[C@H]2C(N)=O)cc1 ZINC000130659659 442352744 /nfs/dbraw/zinc/35/27/44/442352744.db2.gz YTDFNJGNUJBBSY-CVEARBPZSA-N 0 3 332.448 1.003 20 10 EDCDHN O=C(NCc1c(O)ccc2c1CCCC2)c1[nH]nc2c1CNCC2 ZINC000188921899 442843019 /nfs/dbraw/zinc/84/30/19/442843019.db2.gz QLIFQDYFVPSJNK-UHFFFAOYSA-N 0 3 326.400 1.570 20 10 EDCDHN COC[C@@H]1CCN(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000265744408 442904151 /nfs/dbraw/zinc/90/41/51/442904151.db2.gz CXXKZXSLHZFSEJ-MRXNPFEDSA-N 0 3 347.459 1.312 20 10 EDCDHN NC1(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 ZINC000237942313 443189658 /nfs/dbraw/zinc/18/96/58/443189658.db2.gz ICTYXGBLKULFMH-LLVKDONJSA-N 0 3 325.359 1.864 20 10 EDCDHN CCOc1ccc(O)c(CN2C[C@H](OCCOC)C[C@H](CO)C2)c1 ZINC000278806252 443447230 /nfs/dbraw/zinc/44/72/30/443447230.db2.gz YFFKURFEBKGYKD-WMLDXEAASA-N 0 3 339.432 1.637 20 10 EDCDHN CCOc1cccc(CN2CCC[C@H](CS(N)(=O)=O)C2)c1O ZINC000271182290 443495386 /nfs/dbraw/zinc/49/53/86/443495386.db2.gz MNAZDAPMKIUIBV-LBPRGKRZSA-N 0 3 328.434 1.291 20 10 EDCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCCN2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000273582396 443582660 /nfs/dbraw/zinc/58/26/60/443582660.db2.gz MWZNBHADDSNVHG-WMLDXEAASA-N 0 3 349.475 1.994 20 10 EDCDHN CN(C)c1ccc(CNC(=O)C(=O)N(C)C[C@H]2CCCN(C)C2)cc1 ZINC000283648476 443681373 /nfs/dbraw/zinc/68/13/73/443681373.db2.gz XPGWOCPSMMAJCQ-INIZCTEOSA-N 0 3 346.475 1.169 20 10 EDCDHN CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000287911312 443760184 /nfs/dbraw/zinc/76/01/84/443760184.db2.gz OKNARAFPEWOMRW-CQSZACIVSA-N 0 3 347.459 1.730 20 10 EDCDHN COc1cc(Cl)cc(CN2CCN(C[C@H](C)O)C[C@H]2C)c1O ZINC000284259011 443771130 /nfs/dbraw/zinc/77/11/30/443771130.db2.gz GGROUHXKAJXETR-NEPJUHHUSA-N 0 3 328.840 1.941 20 10 EDCDHN COC(=O)c1cn([C@H]2CCN([C@@H](C)c3cc(OC)ccc3O)C2)nn1 ZINC000364636412 445939547 /nfs/dbraw/zinc/93/95/47/445939547.db2.gz MVQOMEISAYSMNW-RYUDHWBXSA-N 0 3 346.387 1.787 20 10 EDCDHN Cc1ccc([O-])c(C[NH2+]C2CCN(c3nccn(C)c3=O)CC2)c1 ZINC000376680195 446647407 /nfs/dbraw/zinc/64/74/07/446647407.db2.gz MWXFAYAXEIFVBX-UHFFFAOYSA-N 0 3 328.416 1.553 20 10 EDCDHN Cc1ccc(C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c([O-])c1O ZINC000368055687 446622613 /nfs/dbraw/zinc/62/26/13/446622613.db2.gz GCYKQJFUDQXPRJ-AWEZNQCLSA-N 0 3 333.432 1.258 20 10 EDCDHN Cc1ccc(C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)c([O-])c1O ZINC000368055687 446622617 /nfs/dbraw/zinc/62/26/17/446622617.db2.gz GCYKQJFUDQXPRJ-AWEZNQCLSA-N 0 3 333.432 1.258 20 10 EDCDHN NC(=O)[C@@H]1Cc2ccccc2N(C(=O)c2cccc3c2CCNC3)C1 ZINC000662565725 453293523 /nfs/dbraw/zinc/29/35/23/453293523.db2.gz HDHPQHVYTTYBLQ-OAHLLOKOSA-N 0 3 335.407 1.637 20 10 EDCDHN CN(CCn1ccccc1=O)Cc1ccc(N2CCOCC2)cc1 ZINC000726232239 578337352 /nfs/dbraw/zinc/33/73/52/578337352.db2.gz SNKNCQRBOUTYBV-UHFFFAOYSA-N 0 3 327.428 1.817 20 10 EDCDHN COc1ccc(N2CCN(C(=O)CN[C@]3(C)CCO[C@H]3C)CC2)cc1 ZINC000755167654 579921833 /nfs/dbraw/zinc/92/18/33/579921833.db2.gz DUOZUFVNFUVINT-HNAYVOBHSA-N 0 3 347.459 1.501 20 10 EDCDHN CCOc1ccc(C[N@@H+]2CCC[C@@H](CS(N)(=O)=O)C2)c([O-])c1 ZINC000769385127 580235387 /nfs/dbraw/zinc/23/53/87/580235387.db2.gz SXIIQQHTNCFHKE-GFCCVEGCSA-N 0 3 328.434 1.291 20 10 EDCDHN CCOc1ccc(C[N@H+]2CCC[C@@H](CS(N)(=O)=O)C2)c([O-])c1 ZINC000769385127 580235388 /nfs/dbraw/zinc/23/53/88/580235388.db2.gz SXIIQQHTNCFHKE-GFCCVEGCSA-N 0 3 328.434 1.291 20 10 EDCDHN CCOC(=O)[C@@](C)(O)CN[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000771769602 580293304 /nfs/dbraw/zinc/29/33/04/580293304.db2.gz WUOWRRYXRDUPGL-KSSFIOAISA-N 0 3 336.432 1.488 20 10 EDCDHN COCCN1CC[C@H](NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000773315282 580333737 /nfs/dbraw/zinc/33/37/37/580333737.db2.gz PIPVCVFGQDUFSW-ZBFHGGJFSA-N 0 3 334.464 1.834 20 10 EDCDHN CN1CCN(c2ccc(CN3CCN(CC4CC4)CC3)cc2)CC1 ZINC000775654101 580396365 /nfs/dbraw/zinc/39/63/65/580396365.db2.gz FPQOJJUBLKXLRU-UHFFFAOYSA-N 0 3 328.504 1.966 20 10 EDCDHN COC[C@@H](C)NC(=O)NC(=O)CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775831961 580402120 /nfs/dbraw/zinc/40/21/20/580402120.db2.gz VYBZMAXNYHGNMO-OLZOCXBDSA-N 0 3 336.436 1.264 20 10 EDCDHN [O-]c1cc2c(cc1C[NH+]1CCC(OC[C@H]3CCOC3)CC1)[C@H](O)CO2 ZINC000784001988 580611539 /nfs/dbraw/zinc/61/15/39/580611539.db2.gz RRNNLCNXDRBBLJ-SCLBCKFNSA-N 0 3 349.427 1.836 20 10 EDCDHN C[C@@H](CNC(=O)C(=O)NCc1ccc(N(C)C)cc1)N1CCCCC1 ZINC000785432615 580644144 /nfs/dbraw/zinc/64/41/44/580644144.db2.gz FSKURKBUIOLXGW-HNNXBMFYSA-N 0 3 346.475 1.359 20 10 EDCDHN CNC(=O)[C@@H]1CCC[C@@H]1NCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000787994702 580712669 /nfs/dbraw/zinc/71/26/69/580712669.db2.gz FFRLVHMKBGECRI-SJORKVTESA-N 0 3 346.475 1.215 20 10 EDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2CCCCN2S(C)(=O)=O)c1 ZINC000797097846 580968191 /nfs/dbraw/zinc/96/81/91/580968191.db2.gz YVIDHWGIDHNLLB-CHWSQXEVSA-N 0 3 342.461 1.866 20 10 EDCDHN Cc1nnc(CNC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)o1 ZINC000892340330 590968336 /nfs/dbraw/zinc/96/83/36/590968336.db2.gz RIPXSOFQOKAOCE-HNNXBMFYSA-N 0 3 346.435 1.546 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCCC(=O)N2C)N(C)C)cc1 ZINC000891244299 591014424 /nfs/dbraw/zinc/01/44/24/591014424.db2.gz ZICOKONMMXOYAD-DLBZAZTESA-N 0 3 346.475 1.482 20 10 EDCDHN CC[C@H](NC(C)=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891245777 591014890 /nfs/dbraw/zinc/01/48/90/591014890.db2.gz IZPPCGRPJFGXRM-IRXDYDNUSA-N 0 3 334.464 1.386 20 10 EDCDHN CO[C@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)[C@H]1CCOC1 ZINC000891245212 591015216 /nfs/dbraw/zinc/01/52/16/591015216.db2.gz ADJQZXJBXBZGAC-SZMVWBNQSA-N 0 3 349.475 1.523 20 10 EDCDHN CC(=O)N1CCC[C@H]1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891246809 591015599 /nfs/dbraw/zinc/01/55/99/591015599.db2.gz POLIWVBZBPGCJJ-ROUUACIJSA-N 0 3 346.475 1.482 20 10 EDCDHN CCN1C[C@@H](C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CC1=O ZINC000891251219 591020148 /nfs/dbraw/zinc/02/01/48/591020148.db2.gz AZELTADHRZUEOP-DOTOQJQBSA-N 0 3 346.475 1.340 20 10 EDCDHN CS(=O)(=O)C1CC(NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000892622110 591100178 /nfs/dbraw/zinc/10/01/78/591100178.db2.gz OQJCHKFPMJSXPN-UHFFFAOYSA-N 0 3 342.436 1.328 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)NCc2cocn2)N(C)C)cc1 ZINC000892893181 591217120 /nfs/dbraw/zinc/21/71/20/591217120.db2.gz UMEZUJKKKGPEGO-INIZCTEOSA-N 0 3 331.420 1.843 20 10 EDCDHN COc1cc(C)cc(CNCC2(S(=O)(=O)N(C)C)CC2)c1O ZINC000895810337 591274728 /nfs/dbraw/zinc/27/47/28/591274728.db2.gz MZZBCRZVWQMQJJ-UHFFFAOYSA-N 0 3 328.434 1.223 20 10 EDCDHN O=C(NCc1c(O)ccc2c1CCCC2)C1CN(C2CCOCC2)C1 ZINC000896691969 591582394 /nfs/dbraw/zinc/58/23/94/591582394.db2.gz NDNLWVMRWDXIFM-UHFFFAOYSA-N 0 3 344.455 1.998 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)N[C@H]2CCC[C@@H]2O)N(C)C)cc1 ZINC000899097658 591678203 /nfs/dbraw/zinc/67/82/03/591678203.db2.gz DSIHMOFZIFAYHI-ULQDDVLXSA-N 0 3 334.464 1.568 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)NCC2(O)CCCC2)N(C)C)cc1 ZINC000899101277 591681936 /nfs/dbraw/zinc/68/19/36/591681936.db2.gz HXSNSKMYPDMYGX-KRWDZBQOSA-N 0 3 348.491 1.960 20 10 EDCDHN CCOc1ccc(O)c(CNCCS(=O)(=O)N2CCCC2)c1 ZINC000897832208 591688174 /nfs/dbraw/zinc/68/81/74/591688174.db2.gz ITPNWJSEPOUBSL-UHFFFAOYSA-N 0 3 328.434 1.306 20 10 EDCDHN CN1CC[NH+](C2CCN(Cc3cc(F)cc(F)c3[O-])CC2)CC1 ZINC000895460520 591766053 /nfs/dbraw/zinc/76/60/53/591766053.db2.gz HQSHVWJSUFALKC-UHFFFAOYSA-N 0 3 325.403 1.882 20 10 EDCDHN CCOC(=O)N1C[C@@H](CO)[C@@H](NCc2ccc(N(C)C)cc2C)C1 ZINC000898350915 591883626 /nfs/dbraw/zinc/88/36/26/591883626.db2.gz NCYHBYOOGRQCKY-RDJZCZTQSA-N 0 3 335.448 1.600 20 10 EDCDHN COCC[C@H]1NC(=O)N(C[C@H](c2ccc(N(C)C)cc2)N(C)C)C1=O ZINC000900185643 591932518 /nfs/dbraw/zinc/93/25/18/591932518.db2.gz QHHJHJNFIAVVLP-HZPDHXFCSA-N 0 3 348.447 1.312 20 10 EDCDHN Cc1cc(N(C)C)ccc1CNC(=O)c1ccnn1CCN(C)C ZINC000900733081 592112103 /nfs/dbraw/zinc/11/21/03/592112103.db2.gz SJDUNZTZPMROLZ-UHFFFAOYSA-N 0 3 329.448 1.749 20 10 EDCDHN CSC[C@H](O)CNCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000905483502 592539340 /nfs/dbraw/zinc/53/93/40/592539340.db2.gz ZMUVEUDDALYTEU-MRXNPFEDSA-N 0 3 337.489 1.202 20 10 EDCDHN C[C@@H](N)c1nc(C(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)cs1 ZINC000911665957 592973636 /nfs/dbraw/zinc/97/36/36/592973636.db2.gz GDPHXLMZGABPNG-ZWNOBZJWSA-N 0 3 333.461 1.659 20 10 EDCDHN C[C@H](NC(=O)C(=O)N[C@H]1CCN(C)[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000806043283 593182846 /nfs/dbraw/zinc/18/28/46/593182846.db2.gz ZMGDLSUQZAGPIW-YCPHGPKFSA-N 0 3 346.475 1.529 20 10 EDCDHN C[C@@H](NC(=O)NC[C@H]1CCCCN1CCO)c1ccc(N(C)C)cc1 ZINC000838560441 593187689 /nfs/dbraw/zinc/18/76/89/593187689.db2.gz XDWYYMWLMLTYFU-CRAIPNDOSA-N 0 3 348.491 1.960 20 10 EDCDHN CC(C)(C[C@@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1)C(N)=O ZINC000840109451 593190715 /nfs/dbraw/zinc/19/07/15/593190715.db2.gz OVECOOZPBYXKRL-BLLLJJGKSA-N 0 3 348.443 1.932 20 10 EDCDHN CC(C)(C[C@@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1)C(N)=O ZINC000840109451 593190716 /nfs/dbraw/zinc/19/07/16/593190716.db2.gz OVECOOZPBYXKRL-BLLLJJGKSA-N 0 3 348.443 1.932 20 10 EDCDHN COc1cccc(C[NH2+]CC2(N3CCOCC3)CCOCC2)c1[O-] ZINC000839164761 593269181 /nfs/dbraw/zinc/26/91/81/593269181.db2.gz DPSOPTYWMBIYIK-UHFFFAOYSA-N 0 3 336.432 1.372 20 10 EDCDHN COC(=O)CC1(NCC(=O)NCc2ccc(N(C)C)cc2)CCC1 ZINC000839544408 593337797 /nfs/dbraw/zinc/33/77/97/593337797.db2.gz JTLVIVRFOHOYQT-UHFFFAOYSA-N 0 3 333.432 1.444 20 10 EDCDHN c1cn([C@H]2CCCN(Cc3ccc(N4CCOCC4)cc3)C2)nn1 ZINC000822497435 594057932 /nfs/dbraw/zinc/05/79/32/594057932.db2.gz DNRYPKHHYZNESN-SFHVURJKSA-N 0 3 327.432 1.952 20 10 EDCDHN N[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000830663933 594451301 /nfs/dbraw/zinc/45/13/01/594451301.db2.gz DWHDBQOHLKUZEK-DDTOSNHZSA-N 0 3 325.359 1.720 20 10 EDCDHN CC[C@H]1[C@H](CO)CCN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000830707486 594460951 /nfs/dbraw/zinc/46/09/51/594460951.db2.gz FTKZBKLNVGIWQB-WMZOPIPTSA-N 0 3 333.476 1.804 20 10 EDCDHN COc1ccc(N2CC[C@@H](CNC(=O)C(N)C(F)(F)F)C2)cc1 ZINC000831752804 594699663 /nfs/dbraw/zinc/69/96/63/594699663.db2.gz FBBOAMCPQHDQBY-GWCFXTLKSA-N 0 3 331.338 1.527 20 10 EDCDHN COC(=O)c1cccc(C(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)n1 ZINC000832273774 594739686 /nfs/dbraw/zinc/73/96/86/594739686.db2.gz QBVVUEFBXOSDJO-CQSZACIVSA-N 0 3 342.399 1.364 20 10 EDCDHN [O-]c1cccc(Cl)c1CNC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000841071492 594847727 /nfs/dbraw/zinc/84/77/27/594847727.db2.gz YPWUMJQOCKWTMP-CYBMUJFWSA-N 0 3 337.773 1.971 20 10 EDCDHN COc1ccc(N2CCC(NC(=O)N3CCCNCC3)CC2)cc1 ZINC000841779233 594950893 /nfs/dbraw/zinc/95/08/93/594950893.db2.gz OFTOAGGZCDTYNN-UHFFFAOYSA-N 0 3 332.448 1.669 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNC(=O)[C@@H]2NCCc3ccccc32)cc1 ZINC000841845982 594964061 /nfs/dbraw/zinc/96/40/61/594964061.db2.gz INQYGVBENMIXQC-RTBURBONSA-N 0 3 338.455 1.756 20 10 EDCDHN CC(C)(CNC(=O)C(=O)NCCc1ccc(N)cc1)N1CCCCC1 ZINC000842023959 595004386 /nfs/dbraw/zinc/00/43/86/595004386.db2.gz JTDMAZOHDNHWGK-UHFFFAOYSA-N 0 3 346.475 1.308 20 10 EDCDHN CCCC[C@@H](CN)NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000842149337 595023598 /nfs/dbraw/zinc/02/35/98/595023598.db2.gz WCZDUTNGAKWEOO-ZDUSSCGKSA-N 0 3 338.427 1.142 20 10 EDCDHN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H](CN)C1CCCC1 ZINC000842152043 595023833 /nfs/dbraw/zinc/02/38/33/595023833.db2.gz DVHCHGHCRDLNDA-KRWDZBQOSA-N 0 3 346.475 1.311 20 10 EDCDHN C[C@@H](CN)NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000842254478 595056747 /nfs/dbraw/zinc/05/67/47/595056747.db2.gz JWYBXYPDIZNFDE-ZDUSSCGKSA-N 0 3 333.432 1.517 20 10 EDCDHN CCON(C)C(=O)CNCc1cc(Br)cc(OC)c1O ZINC000846062534 595133128 /nfs/dbraw/zinc/13/31/28/595133128.db2.gz GNHKBBTVEMTZAE-UHFFFAOYSA-N 0 3 347.209 1.663 20 10 EDCDHN Cn1ccnc1CN1CCC[C@@H]([NH2+][C@H]2CCc3cccc([O-])c32)C1=O ZINC000834759802 595205536 /nfs/dbraw/zinc/20/55/36/595205536.db2.gz FWTCIYFELMTBKL-LSDHHAIUSA-N 0 3 340.427 1.894 20 10 EDCDHN [NH3+]CCNC(=O)[C@@H]1CCCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000843048138 595273619 /nfs/dbraw/zinc/27/36/19/595273619.db2.gz OYBJXBJYIQALKJ-SNVBAGLBSA-N 0 3 329.803 1.472 20 10 EDCDHN CCc1cccc(C[NH+]2CCC(CNS(C)(=O)=O)CC2)c1[O-] ZINC000848911951 595466878 /nfs/dbraw/zinc/46/68/78/595466878.db2.gz ZRBAQBUTTYHIQX-UHFFFAOYSA-N 0 3 326.462 1.716 20 10 EDCDHN CCc1cccc(CN2CCC(N3CCCS3(=O)=O)CC2)c1O ZINC000848916418 595467292 /nfs/dbraw/zinc/46/72/92/595467292.db2.gz HPUFKHLKFROHIX-UHFFFAOYSA-N 0 3 338.473 1.955 20 10 EDCDHN C[C@H](CN1CCN(C)CC1)NCc1cc(F)c(N(C)C)cc1F ZINC000858131141 595708855 /nfs/dbraw/zinc/70/88/55/595708855.db2.gz LKOXTGSFPROTQO-CYBMUJFWSA-N 0 3 326.435 1.756 20 10 EDCDHN C[NH+](C)CCC[C@@H]1CN(Cc2cc3c(cc2[O-])OC[C@H]3O)CCO1 ZINC000853625649 595837998 /nfs/dbraw/zinc/83/79/98/595837998.db2.gz UTBPGSZBPOKYGV-RHSMWYFYSA-N 0 3 336.432 1.361 20 10 EDCDHN CCCN(Cc1ccccc1O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000851680550 595882992 /nfs/dbraw/zinc/88/29/92/595882992.db2.gz JFZAOOJPEMLIHQ-UHFFFAOYSA-N 0 3 345.403 1.468 20 10 EDCDHN C[C@H]1NCCN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)[C@@H]1C ZINC000851682409 595883065 /nfs/dbraw/zinc/88/30/65/595883065.db2.gz WJUJICFRJIFMJW-HUUCEWRRSA-N 0 3 346.475 1.540 20 10 EDCDHN C[C@@H](CN(C)C)NC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000854062769 595965926 /nfs/dbraw/zinc/96/59/26/595965926.db2.gz AJJRIBRZUGAUCR-AWEZNQCLSA-N 0 3 334.464 1.397 20 10 EDCDHN CC(=O)c1cc(F)cc(CN2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1[O-] ZINC000852708590 596231490 /nfs/dbraw/zinc/23/14/90/596231490.db2.gz FPZSLMUIMICWGN-MRXNPFEDSA-N 0 3 336.407 1.765 20 10 EDCDHN CC(=O)c1cc(F)cc(CN2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1[O-] ZINC000852708590 596231492 /nfs/dbraw/zinc/23/14/92/596231492.db2.gz FPZSLMUIMICWGN-MRXNPFEDSA-N 0 3 336.407 1.765 20 10 EDCDHN Cc1ccc([C@@H](C)[NH2+]C[C@]23COCCN2C(=O)COC3)c([O-])c1C ZINC000866551837 596246870 /nfs/dbraw/zinc/24/68/70/596246870.db2.gz CRSDPLUSPKYHBD-RDTXWAMCSA-N 0 3 334.416 1.287 20 10 EDCDHN O[C@@H](CNCc1ccc(N2CCCC2)cc1)CC1(O)CCOCC1 ZINC000872198750 596831166 /nfs/dbraw/zinc/83/11/66/596831166.db2.gz ZWXDHLGBQHLGBW-GOSISDBHSA-N 0 3 334.460 1.669 20 10 EDCDHN CN(C)c1ccc(CNS(=O)(=O)CCCN2CCCC2)cc1 ZINC000866423856 596884125 /nfs/dbraw/zinc/88/41/25/596884125.db2.gz CEABKAJVXKLICQ-UHFFFAOYSA-N 0 3 325.478 1.658 20 10 EDCDHN COc1ccnc(OC)c1C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1 ZINC000876507113 597224357 /nfs/dbraw/zinc/22/43/57/597224357.db2.gz VSYJBGRYQPWKLG-CQSZACIVSA-N 0 3 344.415 1.595 20 10 EDCDHN CC(C)C[C@]1(C(=O)NC[C@H](N)c2ccc(N(C)C)cc2)CCNC1=O ZINC000876507043 597224631 /nfs/dbraw/zinc/22/46/31/597224631.db2.gz ULLKJSDDAHMBBC-QFBILLFUSA-N 0 3 346.475 1.421 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)[C@@H]2CCCCN(C)C2=O)cc1 ZINC000876506201 597224786 /nfs/dbraw/zinc/22/47/86/597224786.db2.gz HBDPFTQZBWTHML-HOTGVXAUSA-N 0 3 332.448 1.127 20 10 EDCDHN O=C(CNCc1ccc(N2CCC(O)CC2)cc1)NCc1ccco1 ZINC000876921426 597386526 /nfs/dbraw/zinc/38/65/26/597386526.db2.gz OTTYBSUEDUGIBZ-UHFFFAOYSA-N 0 3 343.427 1.647 20 10 EDCDHN COC(=O)c1cn([C@H]2CCC[N@H+](Cc3c(C)cccc3[O-])C2)nn1 ZINC000877366311 597502225 /nfs/dbraw/zinc/50/22/25/597502225.db2.gz VFWZFLYYEDXITI-ZDUSSCGKSA-N 0 3 330.388 1.916 20 10 EDCDHN COC(=O)c1cn([C@H]2CCC[N@@H+](Cc3c(C)cccc3[O-])C2)nn1 ZINC000877366311 597502226 /nfs/dbraw/zinc/50/22/26/597502226.db2.gz VFWZFLYYEDXITI-ZDUSSCGKSA-N 0 3 330.388 1.916 20 10 EDCDHN O=C1[C@H](NCc2ccc(N3CCC(O)CC3)cc2)CCN1C1CCC1 ZINC000877661740 597545689 /nfs/dbraw/zinc/54/56/89/597545689.db2.gz GEYAHFIQYWTBOY-LJQANCHMSA-N 0 3 343.471 1.891 20 10 EDCDHN C[C@@H]([NH2+]C1CCN(CCN2CCOCC2)CC1)c1ccccc1[O-] ZINC000877756608 597553376 /nfs/dbraw/zinc/55/33/76/597553376.db2.gz XMIKAVKWPRTZCG-MRXNPFEDSA-N 0 3 333.476 1.839 20 10 EDCDHN COC(=O)C1CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c2ccccc2[O-])CC1 ZINC000879651106 597674684 /nfs/dbraw/zinc/67/46/84/597674684.db2.gz IOVRCRKJIZAOAG-QWHCGFSZSA-N 0 3 334.416 1.843 20 10 EDCDHN CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000179936570 698456456 /nfs/dbraw/zinc/45/64/56/698456456.db2.gz GATQQIVJWWSEOE-AWEZNQCLSA-N 0 3 330.425 1.825 20 10 EDCDHN CS(=O)(=O)NCC[C@@H]1CCCC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000179936570 698456461 /nfs/dbraw/zinc/45/64/61/698456461.db2.gz GATQQIVJWWSEOE-AWEZNQCLSA-N 0 3 330.425 1.825 20 10 EDCDHN COc1cc(Br)cc(C[NH2+]CC[C@H]2CNC(=O)C2)c1[O-] ZINC000922782277 704335401 /nfs/dbraw/zinc/33/54/01/704335401.db2.gz QWGZUMQGOIUNDL-SECBINFHSA-N 0 3 343.221 1.779 20 10 EDCDHN C[C@H]1C[N@H+](CCCNC(=O)NCc2c([O-])cccc2F)CCCO1 ZINC000922200717 710410528 /nfs/dbraw/zinc/41/05/28/710410528.db2.gz GEPGKWCFWGBWKI-ZDUSSCGKSA-N 0 3 339.411 1.831 20 10 EDCDHN C[C@H]1C[N@@H+](CCCNC(=O)NCc2c([O-])cccc2F)CCCO1 ZINC000922200717 710410530 /nfs/dbraw/zinc/41/05/30/710410530.db2.gz GEPGKWCFWGBWKI-ZDUSSCGKSA-N 0 3 339.411 1.831 20 10 EDCDHN Cn1ccnc1[C@H](O)[C@@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000092012072 237011885 /nfs/dbraw/zinc/01/18/85/237011885.db2.gz JEPJVOQQZDXCJK-SJKOYZFVSA-N 0 3 345.399 1.800 20 10 EDCDHN Cn1ccnc1[C@H](O)[C@@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000092012072 237011888 /nfs/dbraw/zinc/01/18/88/237011888.db2.gz JEPJVOQQZDXCJK-SJKOYZFVSA-N 0 3 345.399 1.800 20 10 EDCDHN Cn1ccnc1[C@H](O)[C@@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000092012072 237011898 /nfs/dbraw/zinc/01/18/98/237011898.db2.gz JEPJVOQQZDXCJK-SJKOYZFVSA-N 0 3 345.399 1.800 20 10 EDCDHN C[C@@H](N[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc(N(C)C)cc1 ZINC000269009917 249377286 /nfs/dbraw/zinc/37/72/86/249377286.db2.gz NFXFWTNGVPBGOY-UKRRQHHQSA-N 0 3 325.478 1.827 20 10 EDCDHN COc1ccc(CNCc2cnc(-c3cnn(C)c3)nc2)c(O)c1 ZINC000373479225 250238080 /nfs/dbraw/zinc/23/80/80/250238080.db2.gz JIQDSCLUYLMXFQ-UHFFFAOYSA-N 0 3 325.372 1.881 20 10 EDCDHN NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1ccc(N2CCOCC2)cc1 ZINC000373737920 250243247 /nfs/dbraw/zinc/24/32/47/250243247.db2.gz MDKFGSMCRYDOQJ-JQHSSLGASA-N 0 3 329.444 1.609 20 10 EDCDHN COCCN(CCN(C)C)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000155699638 442420574 /nfs/dbraw/zinc/42/05/74/442420574.db2.gz IPGMBZBRYOGRME-UHFFFAOYSA-N 0 3 346.475 1.782 20 10 EDCDHN COc1ccc(N2CCN(C(=O)[C@@]3(F)CCNC3)CC2)cc1F ZINC000178867934 442507897 /nfs/dbraw/zinc/50/78/97/442507897.db2.gz NUAWHWDSCKUEHF-MRXNPFEDSA-N 0 3 325.359 1.185 20 10 EDCDHN O=S(=O)(C1CC1)N1CCC([NH2+]Cc2cc(F)ccc2[O-])CC1 ZINC000180838430 442663795 /nfs/dbraw/zinc/66/37/95/442663795.db2.gz LVRVJAVZAAVJQH-UHFFFAOYSA-N 0 3 328.409 1.578 20 10 EDCDHN Cc1ccc(C(=O)N2CCCC[C@H](N3CCN(C)CC3)C2)c(O)c1O ZINC000182519794 442780040 /nfs/dbraw/zinc/78/00/40/442780040.db2.gz VPBVFUNPNFFOHY-HNNXBMFYSA-N 0 3 347.459 1.648 20 10 EDCDHN Cc1ccc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c([O-])c1O ZINC000182829769 442831475 /nfs/dbraw/zinc/83/14/75/442831475.db2.gz JFVHXBFJQQJIMG-HOTGVXAUSA-N 0 3 348.443 1.904 20 10 EDCDHN COc1cccc(CNCc2cnc(N3CCOCC3)s2)c1O ZINC000278607273 443377153 /nfs/dbraw/zinc/37/71/53/443377153.db2.gz CSURWMYDGJBEQT-UHFFFAOYSA-N 0 3 335.429 1.984 20 10 EDCDHN CN(C)C/C=C/C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000267510509 443480603 /nfs/dbraw/zinc/48/06/03/443480603.db2.gz ZGXJFKQSPVWSHT-ONEGZZNKSA-N 0 3 335.423 1.521 20 10 EDCDHN COc1cccc(CN2CC[C@@](O)(c3cn(C(C)C)nn3)C2)c1O ZINC000285555942 444026513 /nfs/dbraw/zinc/02/65/13/444026513.db2.gz RAIIQMNWZABLDT-KRWDZBQOSA-N 0 3 332.404 1.667 20 10 EDCDHN C[C@@H](N)C(=O)NC[C@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 ZINC000366320437 446147979 /nfs/dbraw/zinc/14/79/79/446147979.db2.gz DOSPJUSJOZLLLD-GHMZBOCLSA-N 0 3 331.338 1.875 20 10 EDCDHN CN(C)c1ccc(C2=CCN(C[C@@H]3CCN(S(C)(=O)=O)C3)C2)cc1 ZINC000366979045 446441464 /nfs/dbraw/zinc/44/14/64/446441464.db2.gz AGRVYLUNYYWOAG-HNNXBMFYSA-N 0 3 349.500 1.733 20 10 EDCDHN CCN1C(=O)C(=CNNc2ncccc2F)C(=O)N(CC)C1=S ZINC000285144607 535424960 /nfs/dbraw/zinc/42/49/60/535424960.db2.gz OIVRQVOZMRKCHO-UHFFFAOYSA-N 0 3 337.380 1.017 20 10 EDCDHN CCOc1ccc(C[NH2+][C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)c([O-])c1 ZINC000742390470 579450513 /nfs/dbraw/zinc/45/05/13/579450513.db2.gz ICOBLOZXRQFYOK-BLLLJJGKSA-N 0 3 344.415 1.808 20 10 EDCDHN COCCN1CC[C@@H](NC(=O)NCCCSc2nccs2)C1 ZINC000759584781 580009726 /nfs/dbraw/zinc/00/97/26/580009726.db2.gz ZUIAFGJJDGRLHD-GFCCVEGCSA-N 0 3 344.506 1.645 20 10 EDCDHN CCN(CC)c1ccc(CN(C)CCCS(=O)(=O)NC)cc1 ZINC000734844827 578839865 /nfs/dbraw/zinc/83/98/65/578839865.db2.gz YCJGZSOSJGNURA-UHFFFAOYSA-N 0 3 327.494 1.904 20 10 EDCDHN CC(C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)S(C)(=O)=O ZINC000735516893 578897199 /nfs/dbraw/zinc/89/71/99/578897199.db2.gz AFFAZCGDDODDFZ-GXTWGEPZSA-N 0 3 341.429 1.333 20 10 EDCDHN C[C@H](NCC(=O)Nc1ccncc1)c1ccc(N2CCOCC2)cc1 ZINC000775258848 580387048 /nfs/dbraw/zinc/38/70/48/580387048.db2.gz KXRDTMWROMKHQI-HNNXBMFYSA-N 0 3 340.427 1.629 20 10 EDCDHN CCO[C@@H]1COCC[C@@H]1NCC(=O)NCc1ccc(N(C)C)cc1 ZINC000776485983 580418434 /nfs/dbraw/zinc/41/84/34/580418434.db2.gz BYFIMFWOHRKGCA-DLBZAZTESA-N 0 3 335.448 1.152 20 10 EDCDHN CN1CCN(c2ccc(CN3CCC[C@]34CCOC4=O)cc2)CC1 ZINC000779199321 580480912 /nfs/dbraw/zinc/48/09/12/580480912.db2.gz XVNQAKNNVYKFOB-LJQANCHMSA-N 0 3 329.444 1.720 20 10 EDCDHN Cc1ccc(C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c([O-])c1O ZINC000780991757 580539662 /nfs/dbraw/zinc/53/96/62/580539662.db2.gz MKZGPDIWMBIQSX-BPLDGKMQSA-N 0 3 334.416 1.730 20 10 EDCDHN Cc1ccc(C(=O)OCCCN2CCN(C(C)C)CC2)c(O)c1O ZINC000791816159 580802706 /nfs/dbraw/zinc/80/27/06/580802706.db2.gz WGXRRKRMLXAGPY-UHFFFAOYSA-N 0 3 336.432 1.979 20 10 EDCDHN C[C@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2)C[C@H](C)S1=O ZINC000792192495 580813063 /nfs/dbraw/zinc/81/30/63/580813063.db2.gz OOEBBRGHXUBGQW-HOTGVXAUSA-N 0 3 335.517 1.780 20 10 EDCDHN C[C@H]1OCC[C@@]12CN(Cc1ccc(N3CCN(C)CC3)cc1)CCO2 ZINC000793230041 580838948 /nfs/dbraw/zinc/83/89/48/580838948.db2.gz CNTVMFSDNOXENR-YLJYHZDGSA-N 0 3 345.487 1.818 20 10 EDCDHN COc1cccc([O-])c1C[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C ZINC000796502032 580955076 /nfs/dbraw/zinc/95/50/76/580955076.db2.gz HMWNUHMWKAWMBZ-GOOCMWNKSA-N 0 3 347.459 1.574 20 10 EDCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CCCCN2S(C)(=O)=O)c1 ZINC000797097848 580968156 /nfs/dbraw/zinc/96/81/56/580968156.db2.gz YVIDHWGIDHNLLB-QWHCGFSZSA-N 0 3 342.461 1.866 20 10 EDCDHN CNC(=O)CCCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891247443 591016605 /nfs/dbraw/zinc/01/66/05/591016605.db2.gz HJLIBSGTDHASDL-MRXNPFEDSA-N 0 3 334.464 1.388 20 10 EDCDHN Cc1nn(C)cc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891252654 591020564 /nfs/dbraw/zinc/02/05/64/591020564.db2.gz LWCSFPNSGAGMNP-KRWDZBQOSA-N 0 3 329.448 1.827 20 10 EDCDHN C[C@@H](NCc1ccc(N2CCOCC2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000892668576 591119861 /nfs/dbraw/zinc/11/98/61/591119861.db2.gz NSMQOTPLRLTZIP-ZBFHGGJFSA-N 0 3 338.473 1.436 20 10 EDCDHN COc1cc(C)cc(CN2CCC[C@H](CS(N)(=O)=O)C2)c1O ZINC000894016670 591171569 /nfs/dbraw/zinc/17/15/69/591171569.db2.gz HRUOQMHIDYIKOH-LBPRGKRZSA-N 0 3 328.434 1.210 20 10 EDCDHN COC(=O)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccc(OC)c(OC)c1[O-] ZINC000895830821 591284079 /nfs/dbraw/zinc/28/40/79/591284079.db2.gz JNYHREBLDUVNHF-BXUZGUMPSA-N 0 3 325.361 1.077 20 10 EDCDHN COc1cc(C)cc(C[NH2+]C[C@@H]2CCC[C@@H]2NS(C)(=O)=O)c1[O-] ZINC000894396404 591301237 /nfs/dbraw/zinc/30/12/37/591301237.db2.gz KICIKGXEYBTRTM-JSGCOSHPSA-N 0 3 342.461 1.517 20 10 EDCDHN COc1ccc(CN[C@H]2COc3ccccc3[C@@H]2O)c(O)c1OC ZINC000894526815 591333216 /nfs/dbraw/zinc/33/32/16/591333216.db2.gz HPQKXUNMJCQCIZ-GUYCJALGSA-N 0 3 331.368 1.994 20 10 EDCDHN O=C1C[C@]2(NCc3ccc(N4CCOCC4)cc3)CCCC[C@@H]2N1 ZINC000898467526 591367206 /nfs/dbraw/zinc/36/72/06/591367206.db2.gz NGLPFVQSERCEJN-PKOBYXMFSA-N 0 3 329.444 1.814 20 10 EDCDHN COc1cc(C)cc(C[NH2+][C@@H]2CCC[C@H]2CNS(C)(=O)=O)c1[O-] ZINC000894671766 591383379 /nfs/dbraw/zinc/38/33/79/591383379.db2.gz CJZKDIMGIDZGSV-GXTWGEPZSA-N 0 3 342.461 1.517 20 10 EDCDHN CCN1CCN(CCNC(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000897597900 591576135 /nfs/dbraw/zinc/57/61/35/591576135.db2.gz DCFOCIQAXGUSOR-UHFFFAOYSA-N 0 3 349.456 1.680 20 10 EDCDHN CCOC(=O)N1C[C@@H](CO)[C@H](NCc2cc(C)cc(OC)c2O)C1 ZINC000898349251 591881931 /nfs/dbraw/zinc/88/19/31/591881931.db2.gz XYCOXKSIFOVSLK-UONOGXRCSA-N 0 3 338.404 1.248 20 10 EDCDHN CN(C)c1ccc([C@@H](CN2C(=O)N[C@H](CCF)C2=O)N(C)C)cc1 ZINC000900185821 591933076 /nfs/dbraw/zinc/93/30/76/591933076.db2.gz SFJLXOFAEFCANF-HUUCEWRRSA-N 0 3 336.411 1.635 20 10 EDCDHN CO[C@@]1(C[NH2+][C@@H](C)c2ccc(C)c(C)c2[O-])CCS(=O)(=O)C1 ZINC000903364781 592159568 /nfs/dbraw/zinc/15/95/68/592159568.db2.gz BSLVCEIWHMDIDE-XJKSGUPXSA-N 0 3 327.446 1.863 20 10 EDCDHN CO[C@@]1(CN[C@@H](C)c2ccc(C)c(C)c2O)CCS(=O)(=O)C1 ZINC000903364781 592159570 /nfs/dbraw/zinc/15/95/70/592159570.db2.gz BSLVCEIWHMDIDE-XJKSGUPXSA-N 0 3 327.446 1.863 20 10 EDCDHN Cc1nc(CC2CC[NH+](Cc3cc4c(cc3[O-])OC[C@H]4O)CC2)no1 ZINC000905732760 592631244 /nfs/dbraw/zinc/63/12/44/592631244.db2.gz BATAPMXJRYMANO-MRXNPFEDSA-N 0 3 345.399 1.964 20 10 EDCDHN Cc1cc(C)c(CC(=O)NC[C@H](N)c2ccc(N(C)C)cc2)c(=O)[nH]1 ZINC000911667733 592974643 /nfs/dbraw/zinc/97/46/43/592974643.db2.gz RMXDHZSPVDISLF-KRWDZBQOSA-N 0 3 342.443 1.829 20 10 EDCDHN C[C@H](NC(=O)NC[C@H]1CCCCN1CCO)c1ccc(N(C)C)cc1 ZINC000838560442 593187739 /nfs/dbraw/zinc/18/77/39/593187739.db2.gz XDWYYMWLMLTYFU-MAUKXSAKSA-N 0 3 348.491 1.960 20 10 EDCDHN CN(CCNC(=O)OC(C)(C)C)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000840157283 593315534 /nfs/dbraw/zinc/31/55/34/593315534.db2.gz FQONYNDILHNSNI-AWEZNQCLSA-N 0 3 338.404 1.775 20 10 EDCDHN COc1ccc(N2CCN(C(=O)CN[C@@](C)(CO)C(C)C)CC2)cc1 ZINC000810074829 593380470 /nfs/dbraw/zinc/38/04/70/593380470.db2.gz ALMUVODLPYYNFZ-IBGZPJMESA-N 0 3 349.475 1.340 20 10 EDCDHN O=C(CNC[C@@H]1CCCO1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000829002583 594546791 /nfs/dbraw/zinc/54/67/91/594546791.db2.gz CCWBURCPEPYYBT-IRXDYDNUSA-N 0 3 348.443 1.668 20 10 EDCDHN CO[C@]1(CO)CCCN(Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000826952116 594609061 /nfs/dbraw/zinc/60/90/61/594609061.db2.gz GRPAGPLSODTHGV-LJQANCHMSA-N 0 3 333.476 1.412 20 10 EDCDHN COC(=O)N(C)CCN(C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000827341100 594662792 /nfs/dbraw/zinc/66/27/92/594662792.db2.gz YIWHBLNHHGWXPJ-UHFFFAOYSA-N 0 3 334.464 1.568 20 10 EDCDHN COc1cccc(OCC(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)c1 ZINC000832278491 594739815 /nfs/dbraw/zinc/73/98/15/594739815.db2.gz DAHYYTGBCZMMRU-GOSISDBHSA-N 0 3 343.427 1.956 20 10 EDCDHN Cc1cc(N(C)C)ccc1CN[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000840929580 594829600 /nfs/dbraw/zinc/82/96/00/594829600.db2.gz BOSKZYLGEOONJX-HNNXBMFYSA-N 0 3 325.478 1.575 20 10 EDCDHN CN(C)c1ccc(CN(C)C(=O)C(=O)Nc2cccc(CN)c2)cc1 ZINC000841013018 594838965 /nfs/dbraw/zinc/83/89/65/594838965.db2.gz NHLQDRNTUKZZIL-UHFFFAOYSA-N 0 3 340.427 1.808 20 10 EDCDHN Nc1ccc(NC(=O)C(=O)N2CCCC[C@@H](N3CCCC3)C2)cc1 ZINC000841032645 594842203 /nfs/dbraw/zinc/84/22/03/594842203.db2.gz INWQRURRVWZTAR-MRXNPFEDSA-N 0 3 330.432 1.684 20 10 EDCDHN C[C@H](CNC(=O)C(=O)Nc1ccc(N)cc1)N(C)Cc1ccccc1 ZINC000841036810 594842607 /nfs/dbraw/zinc/84/26/07/594842607.db2.gz URVUNQICVUJGPF-CQSZACIVSA-N 0 3 340.427 1.844 20 10 EDCDHN [O-]c1cccc(Cl)c1CNC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000841071493 594847443 /nfs/dbraw/zinc/84/74/43/594847443.db2.gz YPWUMJQOCKWTMP-ZDUSSCGKSA-N 0 3 337.773 1.971 20 10 EDCDHN O=C(NCCc1ccc(O)c(O)c1)Nc1cnc2c(c1)CNCC2 ZINC000841321565 594884668 /nfs/dbraw/zinc/88/46/68/594884668.db2.gz LBAZRBBKOUDCPD-UHFFFAOYSA-N 0 3 328.372 1.503 20 10 EDCDHN C[C@H](NC(=O)N1CCN[C@@H](C)[C@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000841741956 594946026 /nfs/dbraw/zinc/94/60/26/594946026.db2.gz UIQHXAHYLZOQHB-HRCADAONSA-N 0 3 346.475 1.976 20 10 EDCDHN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NC[C@H]1CNCCO1 ZINC000842010155 595001956 /nfs/dbraw/zinc/00/19/56/595001956.db2.gz FDBIFYYLGXGWTC-GOSISDBHSA-N 0 3 346.475 1.807 20 10 EDCDHN CC(C)C[C@@H](CN)NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000842210442 595040446 /nfs/dbraw/zinc/04/04/46/595040446.db2.gz AJQRVIOSXKJCHG-INIZCTEOSA-N 0 3 346.475 1.393 20 10 EDCDHN COc1cc(Br)cc(CN(C)CCNC(C)=O)c1O ZINC000843427809 595108490 /nfs/dbraw/zinc/10/84/90/595108490.db2.gz NKVYJNDDKLLHDP-UHFFFAOYSA-N 0 3 331.210 1.731 20 10 EDCDHN COCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cccc(OC)c1[O-])CC2 ZINC000846153816 595159276 /nfs/dbraw/zinc/15/92/76/595159276.db2.gz KYPZBIFFMGCKOM-RYUDHWBXSA-N 0 3 332.404 1.804 20 10 EDCDHN COc1ccccc1NCC(=O)NC[C@@H](N)c1ccc(N(C)C)cc1 ZINC000844162489 595287980 /nfs/dbraw/zinc/28/79/80/595287980.db2.gz DZRUIXDGFXSGJD-MRXNPFEDSA-N 0 3 342.443 1.989 20 10 EDCDHN CN1CCN(c2ccncc2NC(=O)Cc2ccc(N)cc2)CC1 ZINC000844192489 595298321 /nfs/dbraw/zinc/29/83/21/595298321.db2.gz UPNKGDOTWHQSNK-UHFFFAOYSA-N 0 3 325.416 1.597 20 10 EDCDHN COc1cnc(F)c(C(=O)NC[C@H](N)c2ccc(N(C)C)cc2)c1 ZINC000848393021 595372764 /nfs/dbraw/zinc/37/27/64/595372764.db2.gz MSFREJAYBJFSFF-HNNXBMFYSA-N 0 3 332.379 1.725 20 10 EDCDHN COc1cc(O)c(CN2CCC(Cn3cnnc3)CC2)cc1OC ZINC000844736059 595386268 /nfs/dbraw/zinc/38/62/68/595386268.db2.gz UFUZFEXTDPLKLK-UHFFFAOYSA-N 0 3 332.404 1.913 20 10 EDCDHN COc1cc([O-])c(C[NH+]2CCC(Cn3cnnc3)CC2)cc1OC ZINC000844736059 595386271 /nfs/dbraw/zinc/38/62/71/595386271.db2.gz UFUZFEXTDPLKLK-UHFFFAOYSA-N 0 3 332.404 1.913 20 10 EDCDHN CNS(=O)(=O)CCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000111232871 595731291 /nfs/dbraw/zinc/73/12/91/595731291.db2.gz KYFCAEFZIFXNIP-OAHLLOKOSA-N 0 3 342.461 1.313 20 10 EDCDHN CNS(=O)(=O)CCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000111232871 595731294 /nfs/dbraw/zinc/73/12/94/595731294.db2.gz KYFCAEFZIFXNIP-OAHLLOKOSA-N 0 3 342.461 1.313 20 10 EDCDHN O=C1CNC(=O)N1CCCN(Cc1ccco1)Cc1ccccc1O ZINC000109760956 595732625 /nfs/dbraw/zinc/73/26/25/595732625.db2.gz LYSCJDMIDWSZAP-UHFFFAOYSA-N 0 3 343.383 1.929 20 10 EDCDHN C[C@H](NCc1ccc(N2CCOCC2)cc1)C(=O)NCc1ccco1 ZINC000111399419 595786464 /nfs/dbraw/zinc/78/64/64/595786464.db2.gz OZOIHMRZNQECOG-HNNXBMFYSA-N 0 3 343.427 1.911 20 10 EDCDHN C[C@@H](Cn1cncn1)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000850427280 595832000 /nfs/dbraw/zinc/83/20/00/595832000.db2.gz QOBNFISFFPIBMY-HNNXBMFYSA-N 0 3 329.448 1.665 20 10 EDCDHN CCOC(=O)[C@@H]1NCC[C@H]1N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854218605 596005840 /nfs/dbraw/zinc/00/58/40/596005840.db2.gz ZEAKAFWWNUFQNP-KBRIMQKVSA-N 0 3 333.432 1.157 20 10 EDCDHN CC(=O)NCC(=O)N1CCCN(Cc2ccc(N(C)C)cc2C)CC1 ZINC000862504000 596338789 /nfs/dbraw/zinc/33/87/89/596338789.db2.gz NWQXCKWLIHOBEG-UHFFFAOYSA-N 0 3 346.475 1.231 20 10 EDCDHN COC(=O)CCNC(=O)CC[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000862527460 596340579 /nfs/dbraw/zinc/34/05/79/596340579.db2.gz AOMRGCHXMCFWLN-UHFFFAOYSA-N 0 3 328.796 1.513 20 10 EDCDHN CNS(=O)(=O)C[C@H]1CCCN(Cc2cc(OC)ccc2O)C1 ZINC000862551763 596344844 /nfs/dbraw/zinc/34/48/44/596344844.db2.gz PLAKMNOHEIKGED-LBPRGKRZSA-N 0 3 328.434 1.162 20 10 EDCDHN O=C(NCc1ccc(N2CCN(CC3CC3)CC2)cc1)c1cn[nH]c1 ZINC000122720446 596590283 /nfs/dbraw/zinc/59/02/83/596590283.db2.gz YMRYBGJJIPNYFU-UHFFFAOYSA-N 0 3 339.443 1.872 20 10 EDCDHN C[C@H](NCc1ccc(N2CCN(C)CC2)cc1)[C@H](O)C(F)(F)F ZINC000865712524 596657809 /nfs/dbraw/zinc/65/78/09/596657809.db2.gz ZFXUEUKWPBRXQA-WFASDCNBSA-N 0 3 331.382 1.840 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)C(F)(F)C2CCOCC2)cc1 ZINC000876506380 597224446 /nfs/dbraw/zinc/22/44/46/597224446.db2.gz ITXCJWOUTAYGNM-HNNXBMFYSA-N 0 3 341.402 1.931 20 10 EDCDHN COC(=O)CNC(=O)CNCc1cc(OC)cc(C(C)(C)C)c1O ZINC000877706646 597549204 /nfs/dbraw/zinc/54/92/04/597549204.db2.gz PICMAQXVXPBPCE-UHFFFAOYSA-N 0 3 338.404 1.077 20 10 EDCDHN COc1cc(Br)cc(CN2CCC[C@@H](C(N)=O)C2)c1O ZINC000154990207 697289936 /nfs/dbraw/zinc/28/99/36/697289936.db2.gz ZNPXANLNFVRGGZ-SECBINFHSA-N 0 3 343.221 1.861 20 10 EDCDHN COc1cc(C(=O)N[C@H]2CCCCN(C[C@@H](C)O)C2)cc(OC)n1 ZINC001034289552 709713538 /nfs/dbraw/zinc/71/35/38/709713538.db2.gz YUJOOYCPTYNLRQ-OCCSQVGLSA-N 0 3 337.420 1.064 20 10 EDCDHN Cc1cc(O)c(CN2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1C ZINC000093821070 237025931 /nfs/dbraw/zinc/02/59/31/237025931.db2.gz LBSPGNBKDWMTNA-KRWDZBQOSA-N 0 3 331.460 1.747 20 10 EDCDHN CC(=O)c1cc(F)cc(CN2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1[O-] ZINC000079436703 442048417 /nfs/dbraw/zinc/04/84/17/442048417.db2.gz XKBHPBXVRCSUQN-QGZVFWFLSA-N 0 3 349.450 1.946 20 10 EDCDHN CC(=O)c1cc(F)cc(CN2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1[O-] ZINC000079436703 442048424 /nfs/dbraw/zinc/04/84/24/442048424.db2.gz XKBHPBXVRCSUQN-QGZVFWFLSA-N 0 3 349.450 1.946 20 10 EDCDHN C[C@@H](N[C@H]1CCCCNC1=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000177873460 442392248 /nfs/dbraw/zinc/39/22/48/442392248.db2.gz ONONAFMBIWGCEZ-CJNGLKHVSA-N 0 3 335.423 1.982 20 10 EDCDHN CN(C)CC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000134269324 442463114 /nfs/dbraw/zinc/46/31/14/442463114.db2.gz XRSIIDOOPIKOMO-AWEZNQCLSA-N 0 3 325.840 1.688 20 10 EDCDHN CN1CCN([C@@H]2CCCCN(C(=O)c3cccc(O)c3O)C2)CC1 ZINC000187142312 442655509 /nfs/dbraw/zinc/65/55/09/442655509.db2.gz KLZUTSWEFYCJEP-CQSZACIVSA-N 0 3 333.432 1.340 20 10 EDCDHN O=C(NCc1ccc(N2CCCC2)cc1)c1[nH]nc2c1CNCC2 ZINC000188729123 442798264 /nfs/dbraw/zinc/79/82/64/442798264.db2.gz NZKNBGFQYANQPS-UHFFFAOYSA-N 0 3 325.416 1.586 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN(C)C[C@@H]1CCCOC1)cc2=O ZINC000264658159 443363450 /nfs/dbraw/zinc/36/34/50/443363450.db2.gz YDDOAZVUGAJZFO-LBPRGKRZSA-N 0 3 348.403 1.470 20 10 EDCDHN CCN(CC)CCNC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000283694081 443691098 /nfs/dbraw/zinc/69/10/98/443691098.db2.gz HLZHWLASWDKLEB-UHFFFAOYSA-N 0 3 334.464 1.169 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN(CC)C[C@@H](C)OC)cc2=O ZINC000291116245 443750339 /nfs/dbraw/zinc/75/03/39/443750339.db2.gz AMOBWLZDLXMZQZ-LLVKDONJSA-N 0 3 336.392 1.468 20 10 EDCDHN C[C@H](CNC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)N(C)C1CC1 ZINC000287781645 443756801 /nfs/dbraw/zinc/75/68/01/443756801.db2.gz ILQDLEYZNPTHAI-CQSZACIVSA-N 0 3 346.475 1.310 20 10 EDCDHN CN(C)c1ccc(CN[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)cc1 ZINC000285431483 443982178 /nfs/dbraw/zinc/98/21/78/443982178.db2.gz HJYBUJRQEJOKDO-OAHLLOKOSA-N 0 3 337.489 1.799 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@](C)(COC)C1)cc2=O ZINC000296898566 444261698 /nfs/dbraw/zinc/26/16/98/444261698.db2.gz VSZXZNVTXPKLST-KRWDZBQOSA-N 0 3 348.403 1.470 20 10 EDCDHN CC[C@H](NC[C@]1(O)CCS(=O)(=O)C1)c1ccc(N(C)C)cc1 ZINC000296576443 444239771 /nfs/dbraw/zinc/23/97/71/444239771.db2.gz TZIICOFGFFNZHY-JKSUJKDBSA-N 0 3 326.462 1.343 20 10 EDCDHN COc1cccc(CN2CC[C@@](O)(c3nc(C4CC4)no3)C2)c1O ZINC000290498716 444288222 /nfs/dbraw/zinc/28/82/22/444288222.db2.gz PAAPZRNKQHVQFF-KRWDZBQOSA-N 0 3 331.372 1.755 20 10 EDCDHN COc1ccc([O-])c([C@H](C)[NH+]2CCC([C@@]3(C)NC(=O)NC3=O)CC2)c1 ZINC000364608850 445936721 /nfs/dbraw/zinc/93/67/21/445936721.db2.gz VQUVFXBUJHYLHY-BBATYDOGSA-N 0 3 347.415 1.772 20 10 EDCDHN CCN1CCO[C@H](CN2CCN(Cc3cccc(C)c3O)CC2)C1 ZINC000371425837 446846462 /nfs/dbraw/zinc/84/64/62/446846462.db2.gz UYCUCODUOMAWAT-SFHVURJKSA-N 0 3 333.476 1.539 20 10 EDCDHN COc1cc([N+](=O)[O-])c(N2CCCN([C@H](C)CO)CC2)cc1OC ZINC000375508213 446860129 /nfs/dbraw/zinc/86/01/29/446860129.db2.gz IVKPEONQIADITP-GFCCVEGCSA-N 0 3 339.392 1.505 20 10 EDCDHN C[C@@H](NC(=O)CN(Cc1ccccc1O)C1CCCC1)C(=O)N(C)C ZINC000732205047 578697414 /nfs/dbraw/zinc/69/74/14/578697414.db2.gz YGRTUUXDNNEBNX-CQSZACIVSA-N 0 3 347.459 1.730 20 10 EDCDHN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000734527066 578821263 /nfs/dbraw/zinc/82/12/63/578821263.db2.gz LSVXBAMLDZIISN-ZWKOTPCHSA-N 0 3 346.475 1.723 20 10 EDCDHN COCCO[C@H]1COCC[C@H]1[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000777218574 580437464 /nfs/dbraw/zinc/43/74/64/580437464.db2.gz BRVGCMWRIYCJQZ-HIFRSBDPSA-N 0 3 345.823 1.964 20 10 EDCDHN COc1cc(C)cc(CN2CCN(C(=O)CN3CCCC3)CC2)c1O ZINC000754731429 579910411 /nfs/dbraw/zinc/91/04/11/579910411.db2.gz BMRQWZJXIZKXMH-UHFFFAOYSA-N 0 3 347.459 1.449 20 10 EDCDHN C[C@@H](NCCCS(C)(=O)=O)c1ccc(N2CCOCC2)cc1 ZINC000765753378 580150635 /nfs/dbraw/zinc/15/06/35/580150635.db2.gz KBBAUARDJLBHFS-CQSZACIVSA-N 0 3 326.462 1.609 20 10 EDCDHN CCCC(=O)NC1CC[NH+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000768440656 580212880 /nfs/dbraw/zinc/21/28/80/580212880.db2.gz XHPUWINDTUTTMG-MRXNPFEDSA-N 0 3 334.416 1.699 20 10 EDCDHN [O-]c1cc2c(cc1C[NH+]1CCC(O[C@H]3CCOC3)CC1)[C@@H](O)CO2 ZINC000768463086 580213865 /nfs/dbraw/zinc/21/38/65/580213865.db2.gz FYEGSEJXBPGRSJ-YOEHRIQHSA-N 0 3 335.400 1.588 20 10 EDCDHN CN1CCN(c2ccc(CN3CCO[C@@]4(CCOC4)C3)cc2)CC1 ZINC000769555876 580239971 /nfs/dbraw/zinc/23/99/71/580239971.db2.gz JXUVLHRGFJZKLS-IBGZPJMESA-N 0 3 331.460 1.430 20 10 EDCDHN CCN(C)c1ccc(CN2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1 ZINC000773765116 580345762 /nfs/dbraw/zinc/34/57/62/580345762.db2.gz GBBPIMAQRYIKOD-IBGZPJMESA-N 0 3 344.503 1.881 20 10 EDCDHN COCCN(CCC(=O)OC)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775699331 580397645 /nfs/dbraw/zinc/39/76/45/580397645.db2.gz DBIXJOKSXRTPQZ-UHFFFAOYSA-N 0 3 349.475 1.450 20 10 EDCDHN CN(C)CCNC(=S)NCc1cc(Br)ccc1O ZINC000795154758 580914635 /nfs/dbraw/zinc/91/46/35/580914635.db2.gz UOJOUHYEXSMFRO-UHFFFAOYSA-N 0 3 332.267 1.680 20 10 EDCDHN COc1ccc(CNC[C@@](C)(O)C(=O)OC(C)(C)C)c(O)c1OC ZINC000893609370 591006918 /nfs/dbraw/zinc/00/69/18/591006918.db2.gz QGUVWNJMHSDEMX-QGZVFWFLSA-N 0 3 341.404 1.592 20 10 EDCDHN CC(=O)N1CCC[C@H]1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891246810 591015710 /nfs/dbraw/zinc/01/57/10/591015710.db2.gz POLIWVBZBPGCJJ-ZWKOTPCHSA-N 0 3 346.475 1.482 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)c2cncc([O-])c2)[NH+](C)C)cc1 ZINC000891247126 591016736 /nfs/dbraw/zinc/01/67/36/591016736.db2.gz FJDFMXQSNAPHCF-KRWDZBQOSA-N 0 3 328.416 1.886 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)C[C@H]2CCC(=O)N2)N(C)C)cc1 ZINC000891252692 591020116 /nfs/dbraw/zinc/02/01/16/591020116.db2.gz MLWFVXLHUYYJRD-GDBMZVCRSA-N 0 3 332.448 1.140 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)c2cccc(=O)n2C)N(C)C)cc1 ZINC000891251549 591020179 /nfs/dbraw/zinc/02/01/79/591020179.db2.gz GNPWOFWAKZXMNV-KRWDZBQOSA-N 0 3 342.443 1.484 20 10 EDCDHN CCN1C[C@@H](C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CC1=O ZINC000891251221 591020191 /nfs/dbraw/zinc/02/01/91/591020191.db2.gz AZELTADHRZUEOP-RDJZCZTQSA-N 0 3 346.475 1.340 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)CCCCNC(N)=O)N(C)C)cc1 ZINC000891255008 591021993 /nfs/dbraw/zinc/02/19/93/591021993.db2.gz MPWKNKLESTXUON-INIZCTEOSA-N 0 3 349.479 1.310 20 10 EDCDHN CCCNC(=O)CCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891254525 591022043 /nfs/dbraw/zinc/02/20/43/591022043.db2.gz YVHVTVZQXWNAJH-QGZVFWFLSA-N 0 3 348.491 1.778 20 10 EDCDHN COc1ccc(C[NH2+]C[C@@H](C)CN2CCN(C)CC2)c([O-])c1OC ZINC000892929399 591228639 /nfs/dbraw/zinc/22/86/39/591228639.db2.gz SVXCZTHTGWRUMQ-CQSZACIVSA-N 0 3 337.464 1.383 20 10 EDCDHN CN1CCN(c2ccc(CNC(=O)N3CCNC(C)(C)C3)cc2)CC1 ZINC000892939170 591230939 /nfs/dbraw/zinc/23/09/39/591230939.db2.gz IRNYETVKMQXMNX-UHFFFAOYSA-N 0 3 345.491 1.332 20 10 EDCDHN COc1ccc(C[NH2+]CC2(OCCO)CCOCC2)c([O-])c1OC ZINC000894260831 591253885 /nfs/dbraw/zinc/25/38/85/591253885.db2.gz HQXPVZNCUPPXRZ-UHFFFAOYSA-N 0 3 341.404 1.057 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)N[C@H]2[C@@H]3COC[C@@H]32)N(C)C)cc1 ZINC000894545373 591339542 /nfs/dbraw/zinc/33/95/42/591339542.db2.gz VMNQSUCVPCNXCX-TWMKSMIVSA-N 0 3 332.448 1.299 20 10 EDCDHN Fc1cc(CN2CC[C@H](C3OCCO3)C2)ccc1N1CCOCC1 ZINC000896384429 591445531 /nfs/dbraw/zinc/44/55/31/591445531.db2.gz KOVILSHJNKLRLW-HNNXBMFYSA-N 0 3 336.407 1.857 20 10 EDCDHN CNC(=O)C[C@H](C)NCc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000894918523 591474424 /nfs/dbraw/zinc/47/44/24/591474424.db2.gz WMBXPVWYNLAZIJ-JTQLQIEISA-N 0 3 335.379 1.718 20 10 EDCDHN CCN(CCC(N)=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899096325 591677412 /nfs/dbraw/zinc/67/74/12/591677412.db2.gz RVDUGNBXWMFWMS-MRXNPFEDSA-N 0 3 349.479 1.262 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)N(C)CCCCO)N(C)C)cc1 ZINC000899104700 591684495 /nfs/dbraw/zinc/68/44/95/591684495.db2.gz SKGBRVHZCZVNDN-QGZVFWFLSA-N 0 3 336.480 1.769 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)N2CCC[C@@H](O)C2)N(C)C)cc1 ZINC000899098846 591687918 /nfs/dbraw/zinc/68/79/18/591687918.db2.gz TUXUZEAWZKMDRF-IAGOWNOFSA-N 0 3 334.464 1.522 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)NC[C@H]2CCC[C@@H]2O)N(C)C)cc1 ZINC000899098211 591688076 /nfs/dbraw/zinc/68/80/76/591688076.db2.gz MHNPJXXLRDOCLV-NJAFHUGGSA-N 0 3 348.491 1.816 20 10 EDCDHN COc1ccc(CN2CC[C@@H](N(C)C(=O)N(C)C)C2)c(O)c1OC ZINC000895437460 591757789 /nfs/dbraw/zinc/75/77/89/591757789.db2.gz VRRFWHXPNQNPPA-CYBMUJFWSA-N 0 3 337.420 1.597 20 10 EDCDHN Cc1cc(Br)cc(C[NH2+]CCCc2nnnn2C)c1[O-] ZINC000898039806 591765985 /nfs/dbraw/zinc/76/59/85/591765985.db2.gz GTVNGKOBRGQBPJ-UHFFFAOYSA-N 0 3 340.225 1.709 20 10 EDCDHN COC(=O)[C@@]1(OC)CCN(Cc2ccc(OC)c(OC)c2O)C1 ZINC000895580299 591812456 /nfs/dbraw/zinc/81/24/56/591812456.db2.gz IHOQVECQSPIPKY-MRXNPFEDSA-N 0 3 325.361 1.173 20 10 EDCDHN CCOC(=O)N1C[C@H](NCc2cc(C)cc(OC)c2O)[C@@H](CO)C1 ZINC000898349249 591882163 /nfs/dbraw/zinc/88/21/63/591882163.db2.gz XYCOXKSIFOVSLK-KGLIPLIRSA-N 0 3 338.404 1.248 20 10 EDCDHN COC[C@H](C)NC(=S)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899723601 591920605 /nfs/dbraw/zinc/92/06/05/591920605.db2.gz BOJTZKHCDOZHBW-XJKSGUPXSA-N 0 3 338.521 1.854 20 10 EDCDHN CN(C)c1ccc([C@@H](CN2C(=O)[C@H]3CCCN3C2=O)N(C)C)cc1 ZINC000900186046 591933216 /nfs/dbraw/zinc/93/32/16/591933216.db2.gz VHXJSZSBSRKQMQ-HZPDHXFCSA-N 0 3 330.432 1.782 20 10 EDCDHN Cc1noc(C[C@H]2CCC[N@H+](Cc3cc4c(cc3[O-])OC[C@H]4O)C2)n1 ZINC000902583354 592019691 /nfs/dbraw/zinc/01/96/91/592019691.db2.gz CEPJPNJYOIIXES-MLGOLLRUSA-N 0 3 345.399 1.964 20 10 EDCDHN Cc1noc(C[C@H]2CCC[N@@H+](Cc3cc4c(cc3[O-])OC[C@H]4O)C2)n1 ZINC000902583354 592019694 /nfs/dbraw/zinc/01/96/94/592019694.db2.gz CEPJPNJYOIIXES-MLGOLLRUSA-N 0 3 345.399 1.964 20 10 EDCDHN C[C@@H](NCCN1C(=O)N[C@H](C)C1=O)c1ccc(N2CCOCC2)cc1 ZINC000838914734 593231896 /nfs/dbraw/zinc/23/18/96/593231896.db2.gz QGQJKZUNTXVZCS-ZIAGYGMSSA-N 0 3 346.431 1.114 20 10 EDCDHN COc1ccc([O-])c(C[NH2+]CC2(N3CCOCC3)CCOCC2)c1 ZINC000839165433 593269274 /nfs/dbraw/zinc/26/92/74/593269274.db2.gz NTLYERFNDIUEHD-UHFFFAOYSA-N 0 3 336.432 1.372 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1C[C@@H](C)C[C@H](CO)C1)cc2=O ZINC000817278167 593587850 /nfs/dbraw/zinc/58/78/50/593587850.db2.gz TYNMZTFEAPQJGH-RYUDHWBXSA-N 0 3 348.403 1.062 20 10 EDCDHN COc1ccc(N2CC[C@H](CNC(=O)N3C[C@H](C)NC[C@H]3C)C2)cc1 ZINC000818656613 593710641 /nfs/dbraw/zinc/71/06/41/593710641.db2.gz ZMLUFRDEESWWCP-ARFHVFGLSA-N 0 3 346.475 1.913 20 10 EDCDHN COc1ccc(N2CC[C@H](CNC(=O)N3CCCN(C)CC3)C2)cc1 ZINC000824693022 594057580 /nfs/dbraw/zinc/05/75/80/594057580.db2.gz JAKDIKAEJFCJEU-MRXNPFEDSA-N 0 3 346.475 1.869 20 10 EDCDHN C[C@H](NC(=O)[C@H](N)CC(F)F)c1ccc(N2CCOCC2)cc1 ZINC000827726341 594265926 /nfs/dbraw/zinc/26/59/26/594265926.db2.gz XDSSDAZRHVKOSH-SMDDNHRTSA-N 0 3 327.375 1.683 20 10 EDCDHN CCN(C(=O)C(=O)NCc1ccc(N(C)C)cc1)[C@@H]1CCN(CC)C1 ZINC000826707420 594561287 /nfs/dbraw/zinc/56/12/87/594561287.db2.gz UFHOPKZMQLSBSV-QGZVFWFLSA-N 0 3 346.475 1.312 20 10 EDCDHN CC(C)N1CCC[C@@H]1C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000829296667 594594484 /nfs/dbraw/zinc/59/44/84/594594484.db2.gz LSFZUAJWPIHHOK-LJQANCHMSA-N 0 3 344.503 1.927 20 10 EDCDHN O=C(C[C@@H]1CNCCO1)NCc1ccc(N2CCSCC2)cc1 ZINC000827320487 594660939 /nfs/dbraw/zinc/66/09/39/594660939.db2.gz KFRZBBRTAKEMFN-MRXNPFEDSA-N 0 3 335.473 1.235 20 10 EDCDHN C[C@H]1CN(c2ccc(CNC(=O)CNC3CC3)cc2F)C[C@H](C)O1 ZINC000827365686 594665150 /nfs/dbraw/zinc/66/51/50/594665150.db2.gz UYRFKVCEKOJBRU-STQMWFEESA-N 0 3 335.423 1.808 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000832279596 594739947 /nfs/dbraw/zinc/73/99/47/594739947.db2.gz KKBRAUIVCDNENA-HNNXBMFYSA-N 0 3 346.391 1.064 20 10 EDCDHN COc1ccc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c([O-])c1 ZINC000832283698 594740290 /nfs/dbraw/zinc/74/02/90/594740290.db2.gz AEJNUJYCSGPNBM-INIZCTEOSA-N 0 3 329.400 1.897 20 10 EDCDHN C[C@@H](NC[C@H]1CCCNC1=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000840827812 594818969 /nfs/dbraw/zinc/81/89/69/594818969.db2.gz MZSSBWJMOMYZOC-UKRRQHHQSA-N 0 3 335.423 1.839 20 10 EDCDHN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H](CN)C1CC1 ZINC000842258494 595057178 /nfs/dbraw/zinc/05/71/78/595057178.db2.gz WCRLZVLHAROFFQ-KRWDZBQOSA-N 0 3 346.475 1.343 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)Cc2nc(C3CC3)nn2C)cc1 ZINC000843297382 595066101 /nfs/dbraw/zinc/06/61/01/595066101.db2.gz HPQNELJFVFMXGH-HNNXBMFYSA-N 0 3 342.447 1.117 20 10 EDCDHN C[C@H](NCCN1CCCC1=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000846209331 595175141 /nfs/dbraw/zinc/17/51/41/595175141.db2.gz QLDXYOGALCWYNQ-AWEZNQCLSA-N 0 3 335.423 1.935 20 10 EDCDHN CCOC[C@H](C)CS(=O)(=O)NC[C@H](N)c1ccc(N(C)C)cc1 ZINC000842786296 595198098 /nfs/dbraw/zinc/19/80/98/595198098.db2.gz VTIQBXJPYZTYBK-BBRMVZONSA-N 0 3 343.493 1.344 20 10 EDCDHN CC[C@H](CNS(C)(=O)=O)NC/C=C/c1ccc(N(C)C)cc1 ZINC000835053566 595253687 /nfs/dbraw/zinc/25/36/87/595253687.db2.gz DHYSEDGFEGUPRQ-LQYUOIDQSA-N 0 3 325.478 1.683 20 10 EDCDHN OCC1CCN(c2ccc(CNC[C@@H](O)C(F)(F)F)cc2)CC1 ZINC000843065781 595279326 /nfs/dbraw/zinc/27/93/26/595279326.db2.gz PNHXMOASJIHKRL-OAHLLOKOSA-N 0 3 332.366 1.908 20 10 EDCDHN CO[C@H](CC(=O)NC[C@H](N)c1ccc(N(C)C)cc1)C(F)(F)F ZINC000846664227 595295697 /nfs/dbraw/zinc/29/56/97/595295697.db2.gz XLGSGHSTYJDBPK-QWHCGFSZSA-N 0 3 333.354 1.836 20 10 EDCDHN CN1CCC[C@@H](CNC(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000108562923 595520005 /nfs/dbraw/zinc/52/00/05/595520005.db2.gz NFCUCYKOMAAGMP-KRWDZBQOSA-N 0 3 346.475 1.664 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNC(=O)c2cc3c(s2)CCNC3)cc1 ZINC000852791432 595544570 /nfs/dbraw/zinc/54/45/70/595544570.db2.gz HGMRUGPNBHMUKG-OAHLLOKOSA-N 0 3 344.484 1.890 20 10 EDCDHN COc1ccc(N2CC[C@H](NC(=O)N[C@@H](CN)C(F)(F)F)C2)cc1 ZINC000850754200 595622406 /nfs/dbraw/zinc/62/24/06/595622406.db2.gz LFPIXQWCTBKLGV-GWCFXTLKSA-N 0 3 346.353 1.463 20 10 EDCDHN C[C@@H]1C[C@H](NCc2ccc(N3CCN(C)CC3)cc2)c2ncnn21 ZINC000850352287 595816148 /nfs/dbraw/zinc/81/61/48/595816148.db2.gz REFCGPFVDUNZBT-PBHICJAKSA-N 0 3 326.448 1.826 20 10 EDCDHN COc1ccc(N2CC[C@H](NC(=O)N3C[C@@H]4CCN(C)[C@@H]4C3)C2)cc1 ZINC000852447383 596166079 /nfs/dbraw/zinc/16/60/79/596166079.db2.gz AHTUNALFINROFS-RLFYNMQTSA-N 0 3 344.459 1.619 20 10 EDCDHN CN(C)c1ccc(CN(C)C(=O)CN2CC[C@@H]3COC[C@H]3C2)cc1 ZINC000852669122 596224311 /nfs/dbraw/zinc/22/43/11/596224311.db2.gz MMWJPEZVWKGCSI-IAGOWNOFSA-N 0 3 331.460 1.679 20 10 EDCDHN C[C@H]1C(=O)N(CCN(C)C)CN1Cc1cc(F)c(N(C)C)cc1F ZINC000862400045 596321241 /nfs/dbraw/zinc/32/12/41/596321241.db2.gz LCCAZUKENKYYHF-LBPRGKRZSA-N 0 3 340.418 1.583 20 10 EDCDHN CCO[C@@H]1COCC[C@@H]1CC(=O)NC[C@H](N)c1ccc(N(C)C)cc1 ZINC000870932526 596410600 /nfs/dbraw/zinc/41/06/00/596410600.db2.gz HIWGQWKVIFZLSH-BPQIPLTHSA-N 0 3 349.475 1.700 20 10 EDCDHN COc1ccc(CNC[C@@H]2CCS(=O)(=O)C2)cc1Cn1cccn1 ZINC000873009346 597158552 /nfs/dbraw/zinc/15/85/52/597158552.db2.gz XBGCYTSZKFFFQH-HNNXBMFYSA-N 0 3 349.456 1.464 20 10 EDCDHN COc1ccc(CNCCCS(C)(=O)=O)cc1Cn1cccn1 ZINC000873041491 597168946 /nfs/dbraw/zinc/16/89/46/597168946.db2.gz IBDBAYUYABMPTJ-UHFFFAOYSA-N 0 3 337.445 1.464 20 10 EDCDHN CCO[C@@H]1COC[C@H]1NCc1ccc(OC)c(Cn2cccn2)c1 ZINC000873129635 597206200 /nfs/dbraw/zinc/20/62/00/597206200.db2.gz OLMMUXONZLNRHQ-SJLPKXTDSA-N 0 3 331.416 1.834 20 10 EDCDHN CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1 ZINC000876507138 597224297 /nfs/dbraw/zinc/22/42/97/597224297.db2.gz WHORKZYNJLIOER-SJORKVTESA-N 0 3 334.464 1.419 20 10 EDCDHN O=C1C[C@@H](NCc2ccc(N3CCC(O)CC3)cc2)CN1C1CC1 ZINC000877158775 597447456 /nfs/dbraw/zinc/44/74/56/597447456.db2.gz XJXBRIZIRAXCFM-OAHLLOKOSA-N 0 3 329.444 1.501 20 10 EDCDHN C[C@H](O)CN1CCN(Cc2ccc(N3CCC(O)CC3)cc2)[C@@H](C)C1 ZINC000877489586 597524508 /nfs/dbraw/zinc/52/45/08/597524508.db2.gz VPZZFBGUSJHEEO-IRXDYDNUSA-N 0 3 347.503 1.535 20 10 EDCDHN CCCOc1ccc(CNCCNS(=O)(=O)N(C)C)cc1C ZINC000877518648 597529745 /nfs/dbraw/zinc/52/97/45/597529745.db2.gz COWFCGBGRMKCQY-UHFFFAOYSA-N 0 3 329.466 1.269 20 10 EDCDHN Cc1cccc([O-])c1C[NH2+]C[C@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000877518586 597529838 /nfs/dbraw/zinc/52/98/38/597529838.db2.gz SWYNBSPSHSTFCT-UKRRQHHQSA-N 0 3 326.462 1.898 20 10 EDCDHN COC(=O)[C@@]1(OC)CCN(Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877652943 597544953 /nfs/dbraw/zinc/54/49/53/597544953.db2.gz RCYUMIIOJGCPQF-LJQANCHMSA-N 0 3 348.443 1.412 20 10 EDCDHN CN(C)c1ccc(CNC(=O)CN2CC[C@H](O)[C@H]3CCCC[C@@H]32)cc1 ZINC000879417850 597912159 /nfs/dbraw/zinc/91/21/59/597912159.db2.gz BCJVTXQXQCOWSB-FHWLQOOXSA-N 0 3 345.487 1.994 20 10 EDCDHN COCC[C@@H](N)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC000884305558 598060121 /nfs/dbraw/zinc/06/01/21/598060121.db2.gz ZOWRWSXCPFHNNF-QZTJIDSGSA-N 0 3 349.475 1.624 20 10 EDCDHN CC(=O)N1CCN(c2ccc(CNC(=O)[C@H](N)CC3CC3)cc2)CC1 ZINC000884334478 598072039 /nfs/dbraw/zinc/07/20/39/598072039.db2.gz QVCZNDGMCFXOTE-GOSISDBHSA-N 0 3 344.459 1.099 20 10 EDCDHN CCN1CCN(C[C@H](C)CNC(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000180777268 442658252 /nfs/dbraw/zinc/65/82/52/442658252.db2.gz ZRURTJJFADRZPY-KEDPEKRHSA-N 0 3 347.459 1.501 20 10 EDCDHN CCN1CCN(c2ccc(CNC(=O)[C@@H](N)C(C)C)cc2F)CC1 ZINC000236895724 443151913 /nfs/dbraw/zinc/15/19/13/443151913.db2.gz VNXMZUMWDWUEKE-KRWDZBQOSA-N 0 3 336.455 1.567 20 10 EDCDHN CCOc1cccc(C[NH2+]CC2(OCCO)CCOCC2)c1[O-] ZINC000282639911 443396205 /nfs/dbraw/zinc/39/62/05/443396205.db2.gz KHQSBXSYLCRDLU-UHFFFAOYSA-N 0 3 325.405 1.439 20 10 EDCDHN CCOc1cccc(CN2C[C@H](OCCOC)C[C@H](CO)C2)c1O ZINC000278812747 443449320 /nfs/dbraw/zinc/44/93/20/443449320.db2.gz YSMCUKXYZDQSNE-GOEBONIOSA-N 0 3 339.432 1.637 20 10 EDCDHN CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000292027618 443774023 /nfs/dbraw/zinc/77/40/23/443774023.db2.gz XHSSVJHXCBHQKQ-LLVKDONJSA-N 0 3 343.449 1.222 20 10 EDCDHN CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000292027618 443774026 /nfs/dbraw/zinc/77/40/26/443774026.db2.gz XHSSVJHXCBHQKQ-LLVKDONJSA-N 0 3 343.449 1.222 20 10 EDCDHN CCCOc1ccc(C[NH2+]C2CCC3(CC2)NC(=O)NC3=O)c([O-])c1 ZINC000285508399 444010675 /nfs/dbraw/zinc/01/06/75/444010675.db2.gz NUNBDZSBHHCPKK-UHFFFAOYSA-N 0 3 347.415 1.791 20 10 EDCDHN Cc1cccc(C[NH2+]C[C@@H]2CCCC[C@H]2NS(C)(=O)=O)c1[O-] ZINC000289511036 444162471 /nfs/dbraw/zinc/16/24/71/444162471.db2.gz GTOPOFWPSHRTGT-DZGCQCFKSA-N 0 3 326.462 1.898 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN(C)CC(C)(C)CO)cc2=O ZINC000295184644 444168991 /nfs/dbraw/zinc/16/89/91/444168991.db2.gz IOSCJZUUSZAESX-UHFFFAOYSA-N 0 3 336.392 1.062 20 10 EDCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCCS(=O)(=O)C2)c1[O-] ZINC000290651719 444306292 /nfs/dbraw/zinc/30/62/92/444306292.db2.gz ZCAUPNCOWDFKBX-JTQLQIEISA-N 0 3 333.837 1.969 20 10 EDCDHN COc1cccc(CN2CC[C@](O)(c3nc(C4CC4)no3)C2)c1O ZINC000290498718 444288119 /nfs/dbraw/zinc/28/81/19/444288119.db2.gz PAAPZRNKQHVQFF-QGZVFWFLSA-N 0 3 331.372 1.755 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCC[C@@H](OC)CC1)cc2=O ZINC000376285479 446414323 /nfs/dbraw/zinc/41/43/23/446414323.db2.gz MXGOJBCRQVVSPW-CYBMUJFWSA-N 0 3 348.403 1.613 20 10 EDCDHN CN(C)c1ccc(CN(C(=O)[C@H]2CN3CCN2CCC3)C2CC2)cc1 ZINC000376615678 446605926 /nfs/dbraw/zinc/60/59/26/446605926.db2.gz REPJLJFISHFBTA-LJQANCHMSA-N 0 3 342.487 1.634 20 10 EDCDHN CN(C)CCN(C)C(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000297852874 517902533 /nfs/dbraw/zinc/90/25/33/517902533.db2.gz MNVUUMXQQDXZFT-UHFFFAOYSA-N 0 3 346.475 1.264 20 10 EDCDHN CN1CCC(O)(CNC(=O)NCCCSc2nccs2)CC1 ZINC000759600419 580010080 /nfs/dbraw/zinc/01/00/80/580010080.db2.gz FCYDYJDMCSZUFJ-UHFFFAOYSA-N 0 3 344.506 1.381 20 10 EDCDHN COC(=O)c1cc2ccccc2c(CN(C)[C@H]2CCN(C)C2=O)c1O ZINC000738270376 579180287 /nfs/dbraw/zinc/18/02/87/579180287.db2.gz WBQIQJLPVAOXDN-INIZCTEOSA-N 0 3 342.395 1.995 20 10 EDCDHN COCCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(OC)c(OC)cc1[O-] ZINC000777221064 580437479 /nfs/dbraw/zinc/43/74/79/580437479.db2.gz YNPAGATYTBMBHR-SUMWQHHRSA-N 0 3 341.404 1.320 20 10 EDCDHN COC[C@@](C)(CCO)NCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000754668480 579909150 /nfs/dbraw/zinc/90/91/50/579909150.db2.gz OXDIIMUOJJBBGK-GOSISDBHSA-N 0 3 337.464 1.088 20 10 EDCDHN COc1cc(C)cc(CN2CCCC[C@@H]2CNS(C)(=O)=O)c1O ZINC000754725722 579910162 /nfs/dbraw/zinc/91/01/62/579910162.db2.gz AHJUNEQGJMTEIZ-CQSZACIVSA-N 0 3 342.461 1.613 20 10 EDCDHN CC(C(=O)N(C)Cc1ccccc1O)S(=O)(=O)C1CCOCC1 ZINC000767881234 580202638 /nfs/dbraw/zinc/20/26/38/580202638.db2.gz KFSNYWQFBSZVKC-GFCCVEGCSA-N 0 3 341.429 1.333 20 10 EDCDHN C[N@H+](CC1CC1)C[C@@H]1CCN(Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768465500 580214112 /nfs/dbraw/zinc/21/41/12/580214112.db2.gz IEVHYYBGLRYQAS-KBXCAEBGSA-N 0 3 332.444 1.982 20 10 EDCDHN C[N@@H+](CC1CC1)C[C@@H]1CCN(Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768465500 580214113 /nfs/dbraw/zinc/21/41/13/580214113.db2.gz IEVHYYBGLRYQAS-KBXCAEBGSA-N 0 3 332.444 1.982 20 10 EDCDHN Cc1c(CO)cc([N+](=O)[O-])c(N(C)CCN(C)C2CC2)c1[N+](=O)[O-] ZINC000770223863 580255918 /nfs/dbraw/zinc/25/59/18/580255918.db2.gz XKXUQGBZVUPNHT-UHFFFAOYSA-N 0 3 338.364 1.834 20 10 EDCDHN CCN(C)c1ccc(CN2C[C@@H](CO)C[C@H](OCCOC)C2)cc1 ZINC000773962384 580350447 /nfs/dbraw/zinc/35/04/47/580350447.db2.gz IHTJPJHKKJWTQH-HKUYNNGSSA-N 0 3 336.476 1.989 20 10 EDCDHN COc1cc(Br)cc(C[NH2+][C@@]2(CCO)CCOC2)c1[O-] ZINC000775030290 580381244 /nfs/dbraw/zinc/38/12/44/580381244.db2.gz SHQXZQXMAJWSFR-AWEZNQCLSA-N 0 3 346.221 1.794 20 10 EDCDHN C[C@@H](NCC(=O)N(C)Cc1cnn(C)c1)c1ccc(N(C)C)cc1 ZINC000775835397 580402178 /nfs/dbraw/zinc/40/21/78/580402178.db2.gz YAOLFYJJVMRCAR-CQSZACIVSA-N 0 3 329.448 1.795 20 10 EDCDHN CCOc1ccc([O-])c(C[NH2+][C@H]2CCOC[C@@H]2OCCOC)c1 ZINC000776812810 580429435 /nfs/dbraw/zinc/42/94/35/580429435.db2.gz NFJMRHLIWJMOAR-RDJZCZTQSA-N 0 3 325.405 1.701 20 10 EDCDHN CN1CCN(CCCCNC(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000779494916 580487191 /nfs/dbraw/zinc/48/71/91/580487191.db2.gz AVIGDGMBAVOBRH-FNORWQNLSA-N 0 3 333.432 1.255 20 10 EDCDHN C[C@H](O)CN1CCN(Cc2ccc(N3CCN(C)CC3)cc2)[C@H](C)C1 ZINC000793588277 580848350 /nfs/dbraw/zinc/84/83/50/580848350.db2.gz IHPWXPGJTOZDKG-MSOLQXFVSA-N 0 3 346.519 1.325 20 10 EDCDHN COCCN(CC1CCN(C)CC1)C(=O)NCCc1ccc(N)cc1 ZINC000892039172 590765390 /nfs/dbraw/zinc/76/53/90/590765390.db2.gz QWLSCKIKUYIBCK-UHFFFAOYSA-N 0 3 348.491 1.811 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)NCC(C)(C)C(N)=O)N(C)C)cc1 ZINC000892098516 590797973 /nfs/dbraw/zinc/79/79/73/590797973.db2.gz GFWHYPYDDFGBIU-HNNXBMFYSA-N 0 3 349.479 1.166 20 10 EDCDHN CNC(=O)CCCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000892233618 590878390 /nfs/dbraw/zinc/87/83/90/590878390.db2.gz HBXJLUKTQQWMPC-INIZCTEOSA-N 0 3 349.479 1.181 20 10 EDCDHN COc1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CNC(=O)C2)c([O-])c1OC ZINC000892246344 590885433 /nfs/dbraw/zinc/88/54/33/590885433.db2.gz LVNICGCVWZXQQH-KGLIPLIRSA-N 0 3 334.416 1.900 20 10 EDCDHN COc1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CNC(=O)C2)c([O-])c1OC ZINC000892246344 590885434 /nfs/dbraw/zinc/88/54/34/590885434.db2.gz LVNICGCVWZXQQH-KGLIPLIRSA-N 0 3 334.416 1.900 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)[C@H](O)c2ccccn2)N(C)C)cc1 ZINC000891246751 591015968 /nfs/dbraw/zinc/01/59/68/591015968.db2.gz CUUUWVRBBDGGNK-ZWKOTPCHSA-N 0 3 342.443 1.600 20 10 EDCDHN C[C@@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)n1cncn1 ZINC000891247194 591016781 /nfs/dbraw/zinc/01/67/81/591016781.db2.gz GWUDUONCDHHNCM-BBRMVZONSA-N 0 3 330.436 1.324 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)c2c[nH]c(=O)n2C)N(C)C)cc1 ZINC000891248100 591017830 /nfs/dbraw/zinc/01/78/30/591017830.db2.gz VTOMXOTZFZYVMJ-AWEZNQCLSA-N 0 3 331.420 1.224 20 10 EDCDHN Cc1nnc(CC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)o1 ZINC000891249525 591017879 /nfs/dbraw/zinc/01/78/79/591017879.db2.gz RIGOMMPMQNEWAY-OAHLLOKOSA-N 0 3 331.420 1.406 20 10 EDCDHN CCn1nc(C)c(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)n1 ZINC000891249244 591018061 /nfs/dbraw/zinc/01/80/61/591018061.db2.gz PUJAYEXEQOPTLX-INIZCTEOSA-N 0 3 344.463 1.705 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)CCc2cnccn2)N(C)C)cc1 ZINC000891249326 591018249 /nfs/dbraw/zinc/01/82/49/591018249.db2.gz QUMWSXSJUROJQO-GOSISDBHSA-N 0 3 341.459 1.894 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)c2nccnc2N)N(C)C)cc1 ZINC000891251518 591020226 /nfs/dbraw/zinc/02/02/26/591020226.db2.gz FUIHLRICKSWHGP-CQSZACIVSA-N 0 3 328.420 1.158 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)COC[C@H]2CCCO2)N(C)C)cc1 ZINC000891251919 591020621 /nfs/dbraw/zinc/02/06/21/591020621.db2.gz IBVMQYZTAAHKNZ-QZTJIDSGSA-N 0 3 349.475 1.667 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)c2cccc(=O)[nH]2)N(C)C)cc1 ZINC000891253370 591020689 /nfs/dbraw/zinc/02/06/89/591020689.db2.gz RRXNPCJDTVBJSA-INIZCTEOSA-N 0 3 328.416 1.886 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)C2=NN(C)C(=O)CC2)N(C)C)cc1 ZINC000891255998 591021966 /nfs/dbraw/zinc/02/19/66/591021966.db2.gz VBTQGTNCJHUPHY-INIZCTEOSA-N 0 3 345.447 1.080 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCN(C)C(=O)C2)N(C)C)cc1 ZINC000891256673 591022172 /nfs/dbraw/zinc/02/21/72/591022172.db2.gz ZQRRNZPPIBBEGL-DOTOQJQBSA-N 0 3 346.475 1.340 20 10 EDCDHN COc1cc(C)cc(CN[C@H]2CCCN(c3ccn(C)n3)C2=O)c1O ZINC000894310283 591274184 /nfs/dbraw/zinc/27/41/84/591274184.db2.gz QULZPPVUWWJPHR-AWEZNQCLSA-N 0 3 344.415 1.728 20 10 EDCDHN COC[C@H]([NH2+]Cc1cc(OC)c(OC)cc1[O-])[C@@H]1CCCOC1 ZINC000895854952 591287986 /nfs/dbraw/zinc/28/79/86/591287986.db2.gz OGIWWSYJWKDWIY-OCCSQVGLSA-N 0 3 325.405 1.941 20 10 EDCDHN COC[C@H](CNCc1c2cc(F)ccc2n(C)c1C(=O)OC)OC ZINC000894433786 591311796 /nfs/dbraw/zinc/31/17/96/591311796.db2.gz CBZFZCAOERJWDC-LBPRGKRZSA-N 0 3 338.379 1.855 20 10 EDCDHN COc1cccc(C[NH2+][C@H](C)C2CCN(S(C)(=O)=O)CC2)c1[O-] ZINC000894457895 591316637 /nfs/dbraw/zinc/31/66/37/591316637.db2.gz KOYSDMQKINZDKV-GFCCVEGCSA-N 0 3 342.461 1.551 20 10 EDCDHN O=S1CCC(NCc2cc(F)c(N3CCOCC3)c(F)c2)CC1 ZINC000894844062 591439764 /nfs/dbraw/zinc/43/97/64/591439764.db2.gz WBFLQDHGGSPFTH-UHFFFAOYSA-N 0 3 344.427 1.802 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)N2CC(C)(CO)C2)N(C)C)cc1 ZINC000899097705 591678258 /nfs/dbraw/zinc/67/82/58/591678258.db2.gz FPTWJUGNAGSICE-INIZCTEOSA-N 0 3 334.464 1.379 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)N(CCO)C2CC2)N(C)C)cc1 ZINC000899101322 591681819 /nfs/dbraw/zinc/68/18/19/591681819.db2.gz IVBMOBGNIZRHIZ-KRWDZBQOSA-N 0 3 334.464 1.522 20 10 EDCDHN CC(=O)c1cc(F)cc(Cn2cc(CN3CCC([NH3+])CC3)nn2)c1[O-] ZINC000905784303 592648402 /nfs/dbraw/zinc/64/84/02/592648402.db2.gz QQAZDYCXLHGYQF-UHFFFAOYSA-N 0 3 347.394 1.297 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)c2ccc3c(n2)CNCC3)cc1 ZINC000911667961 592974619 /nfs/dbraw/zinc/97/46/19/592974619.db2.gz VEGKZTOGKHXPOH-INIZCTEOSA-N 0 3 339.443 1.223 20 10 EDCDHN CCC1(C)CN(C[C@@H](O)CN2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000812313725 593495744 /nfs/dbraw/zinc/49/57/44/593495744.db2.gz ZGMIHAKLAPONTL-SFHVURJKSA-N 0 3 347.503 1.910 20 10 EDCDHN CN(Cc1ccc(N2CCN(C)CC2)cc1)[C@H]1CC(C)(C)OC1=O ZINC000814181166 593577914 /nfs/dbraw/zinc/57/79/14/593577914.db2.gz XAGCFAIRXQGOMV-KRWDZBQOSA-N 0 3 331.460 1.964 20 10 EDCDHN CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@H](CO)CC2)cc1 ZINC000815276215 593624342 /nfs/dbraw/zinc/62/43/42/593624342.db2.gz FXUDEPVTUDZPDJ-KRWDZBQOSA-N 0 3 333.476 1.805 20 10 EDCDHN CCOC(=O)[C@@H]1NCC[C@H]1NC1CCN(c2ccc(OC)cc2)CC1 ZINC000817903241 593647242 /nfs/dbraw/zinc/64/72/42/593647242.db2.gz LCBMEYBFYNPMTO-QZTJIDSGSA-N 0 3 347.459 1.547 20 10 EDCDHN CCOC(=O)[C@H]1NCC[C@@H]1NC1CCN(c2ccc(OC)cc2)CC1 ZINC000817903242 593647393 /nfs/dbraw/zinc/64/73/93/593647393.db2.gz LCBMEYBFYNPMTO-ROUUACIJSA-N 0 3 347.459 1.547 20 10 EDCDHN C[C@@H](NC1CC1)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000827469318 594675183 /nfs/dbraw/zinc/67/51/83/594675183.db2.gz URQLCQRHIYGSHY-UKRRQHHQSA-N 0 3 344.459 1.145 20 10 EDCDHN COC(=O)c1cccc(C(=O)NC[C@H](N)c2ccc(N(C)C)cc2)c1 ZINC000832274096 594739614 /nfs/dbraw/zinc/73/96/14/594739614.db2.gz SFAAWLHTOQEBDH-KRWDZBQOSA-N 0 3 341.411 1.969 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)CNC(=O)CC(C)(C)C)cc1 ZINC000832281720 594740123 /nfs/dbraw/zinc/74/01/23/594740123.db2.gz VUGTYYUMOJARMC-HNNXBMFYSA-N 0 3 334.464 1.421 20 10 EDCDHN C[C@H](NC(=O)c1ccco1)C(=O)NC[C@H](N)c1ccc(N(C)C)cc1 ZINC000832283944 594740268 /nfs/dbraw/zinc/74/02/68/594740268.db2.gz DKTLGKJQCQVCNA-WFASDCNBSA-N 0 3 344.415 1.280 20 10 EDCDHN Cc1cc(N(C)C)ccc1CN[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000840934458 594829933 /nfs/dbraw/zinc/82/99/33/594829933.db2.gz RBEYVPVZJKQTHY-KRWDZBQOSA-N 0 3 327.432 1.690 20 10 EDCDHN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1cccc(CN)c1 ZINC000841039312 594842916 /nfs/dbraw/zinc/84/29/16/594842916.db2.gz KHKMDQBSXFBVOX-UHFFFAOYSA-N 0 3 340.427 1.775 20 10 EDCDHN Nc1ccc(Cc2nc(C(=O)NC[C@H]3CNCCO3)cs2)cc1 ZINC000841856336 594966511 /nfs/dbraw/zinc/96/65/11/594966511.db2.gz MTJFNIRZHBUIMG-CYBMUJFWSA-N 0 3 332.429 1.034 20 10 EDCDHN C[C@@H](NC(=O)C(=O)N[C@H](CN)C1CCCC1)c1ccc(N(C)C)cc1 ZINC000842203664 595037830 /nfs/dbraw/zinc/03/78/30/595037830.db2.gz VTWNVJUFULMFIJ-CXAGYDPISA-N 0 3 346.475 1.564 20 10 EDCDHN C[C@H]1C(=O)N(CCN(C)C)CN1Cc1ccc(N2CCOCC2)cc1 ZINC000843427748 595108411 /nfs/dbraw/zinc/10/84/11/595108411.db2.gz CBRLGTVMLJYSGX-INIZCTEOSA-N 0 3 346.475 1.075 20 10 EDCDHN CNC(=O)[C@]1(C(F)(F)F)CCN(Cc2cccc(OC)c2O)C1 ZINC000843431942 595109182 /nfs/dbraw/zinc/10/91/82/595109182.db2.gz FIPSPPPLKMVEFW-AWEZNQCLSA-N 0 3 332.322 1.901 20 10 EDCDHN COc1cccc([C@H](C)N[C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)c1O ZINC000846159666 595161541 /nfs/dbraw/zinc/16/15/41/595161541.db2.gz IWIBYGVABYEQJS-SLEUVZQESA-N 0 3 344.415 1.979 20 10 EDCDHN Cc1cc(S(=O)(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)c(C)o1 ZINC000842784882 595197703 /nfs/dbraw/zinc/19/77/03/595197703.db2.gz MWBMWBSFAWPENT-OAHLLOKOSA-N 0 3 337.445 1.941 20 10 EDCDHN C[C@@H](CNCc1ccc(N2CCC(CO)CC2)cc1)S(C)(=O)=O ZINC000843066440 595279095 /nfs/dbraw/zinc/27/90/95/595279095.db2.gz XHMAEFNAWQFXER-AWEZNQCLSA-N 0 3 340.489 1.418 20 10 EDCDHN CC[N@H+](C)C[C@@H](O)CN(CC(=O)OC)Cc1cc(Cl)ccc1[O-] ZINC000846824786 595322044 /nfs/dbraw/zinc/32/20/44/595322044.db2.gz PAEYZCANJJVYDO-CQSZACIVSA-N 0 3 344.839 1.333 20 10 EDCDHN CC[N@@H+](C)C[C@@H](O)CN(CC(=O)OC)Cc1cc(Cl)ccc1[O-] ZINC000846824786 595322045 /nfs/dbraw/zinc/32/20/45/595322045.db2.gz PAEYZCANJJVYDO-CQSZACIVSA-N 0 3 344.839 1.333 20 10 EDCDHN CN[C@@H](C)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000848412192 595374858 /nfs/dbraw/zinc/37/48/58/595374858.db2.gz KTMJNLNITQYERJ-NSHDSACASA-N 0 3 327.375 1.981 20 10 EDCDHN CO[C@](C)(CO)CN[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000848557588 595405065 /nfs/dbraw/zinc/40/50/65/595405065.db2.gz GEBYHRCFVJRVGF-DYVFJYSZSA-N 0 3 326.412 1.710 20 10 EDCDHN CCO[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C[C@H]1C[NH3+] ZINC000844903477 595410957 /nfs/dbraw/zinc/41/09/57/595410957.db2.gz CRNATSFOAYQSCK-DGCLKSJQSA-N 0 3 325.365 1.105 20 10 EDCDHN NC[C@H](NC(=O)NCc1ccc(N2CCOCC2)cc1)C(F)(F)F ZINC000848594668 595413482 /nfs/dbraw/zinc/41/34/82/595413482.db2.gz FQSIZRWXKJTBEY-ZDUSSCGKSA-N 0 3 346.353 1.212 20 10 EDCDHN COC(=O)CCN1CC[C@H](N[C@@H](C)c2ccc(N(C)C)cc2)C1=O ZINC000849321125 595505559 /nfs/dbraw/zinc/50/55/59/595505559.db2.gz XQSQVZMZDRKVIY-BBRMVZONSA-N 0 3 333.432 1.567 20 10 EDCDHN COC(=O)c1cc(C(=O)NC[C@H](N)c2ccc(N(C)C)cc2)c(C)o1 ZINC000852792051 595544736 /nfs/dbraw/zinc/54/47/36/595544736.db2.gz PRIQWGMFZMHHFX-HNNXBMFYSA-N 0 3 345.399 1.870 20 10 EDCDHN COC(=O)[C@@H]1C[C@@H]1[C@H](C)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000850034284 595724784 /nfs/dbraw/zinc/72/47/84/595724784.db2.gz KKIZXAYRBRHBPR-NWANDNLSSA-N 0 3 336.407 1.950 20 10 EDCDHN COC(=O)[C@@H]1C[C@H]1[C@@H](C)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000850034286 595724886 /nfs/dbraw/zinc/72/48/86/595724886.db2.gz KKIZXAYRBRHBPR-VHDGCEQUSA-N 0 3 336.407 1.950 20 10 EDCDHN CN(Cc1ccc(N2CCOCC2)c(F)c1)[C@H]1CCC(=O)N(C)C1 ZINC000862428925 596327501 /nfs/dbraw/zinc/32/75/01/596327501.db2.gz WVUDMDYSIBLFBR-HNNXBMFYSA-N 0 3 335.423 1.715 20 10 EDCDHN Cc1cc(Cl)cc(C[NH2+]CCCN2CCC[C@H]2C(N)=O)c1[O-] ZINC000862464875 596333342 /nfs/dbraw/zinc/33/33/42/596333342.db2.gz KVDZJFAUENHQTQ-AWEZNQCLSA-N 0 3 325.840 1.783 20 10 EDCDHN CCN(CC)c1ccc(CNCc2nc(C[NH3+])cc(=O)[n-]2)cc1F ZINC000863647717 596644112 /nfs/dbraw/zinc/64/41/12/596644112.db2.gz CUUMNSDWELIATP-UHFFFAOYSA-N 0 3 333.411 1.916 20 10 EDCDHN COc1ccc(CNCCC(=O)NC(C)C)cc1Cn1cccn1 ZINC000873010611 597159355 /nfs/dbraw/zinc/15/93/55/597159355.db2.gz NCUCMMZJPKQPGT-UHFFFAOYSA-N 0 3 330.432 1.944 20 10 EDCDHN CNC(=O)[C@@H](NCc1ccc(OC)c(Cn2cccn2)c1)C(C)C ZINC000873091631 597189022 /nfs/dbraw/zinc/18/90/22/597189022.db2.gz SCHKVACGXXAHFB-KRWDZBQOSA-N 0 3 330.432 1.800 20 10 EDCDHN COc1ccc(CNC[C@]2(C)CCC(=O)N2)cc1Cn1cccn1 ZINC000873131216 597206789 /nfs/dbraw/zinc/20/67/89/597206789.db2.gz PCWYSQQELHJSKA-SFHVURJKSA-N 0 3 328.416 1.698 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)Cn2ncc3cccnc32)cc1 ZINC000876506951 597224293 /nfs/dbraw/zinc/22/42/93/597224293.db2.gz RQSOHLMHTSFKHY-INIZCTEOSA-N 0 3 338.415 1.314 20 10 EDCDHN CC(C)C[C@@]1(C(=O)NC[C@H](N)c2ccc(N(C)C)cc2)CCNC1=O ZINC000876507042 597224683 /nfs/dbraw/zinc/22/46/83/597224683.db2.gz ULLKJSDDAHMBBC-LPHOPBHVSA-N 0 3 346.475 1.421 20 10 EDCDHN CN(C)C(=O)O[C@@H]1CCN(Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877558370 597534977 /nfs/dbraw/zinc/53/49/77/597534977.db2.gz FVJWRRNRUWTAHA-GOSISDBHSA-N 0 3 347.459 1.920 20 10 EDCDHN CCOc1ccc(C[NH2+]C[C@@]2(OC)CCS(=O)(=O)C2)c([O-])c1 ZINC000922614977 704139186 /nfs/dbraw/zinc/13/91/86/704139186.db2.gz GQYOVCUWFQLLKL-HNNXBMFYSA-N 0 3 329.418 1.084 20 10 EDCDHN CO[C@]1(CNCc2ccc3c(c2)CCCO3)CCS(=O)(=O)C1 ZINC000922619562 704155332 /nfs/dbraw/zinc/15/53/32/704155332.db2.gz VJYGQEQQEURLII-INIZCTEOSA-N 0 3 325.430 1.305 20 10 EDCDHN CCS(=O)(=O)C[C@H](C)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000089634283 237005399 /nfs/dbraw/zinc/00/53/99/237005399.db2.gz ONJZDYUIYBWQJU-GJZGRUSLSA-N 0 3 340.489 1.997 20 10 EDCDHN Cn1ccnc1[C@H](O)[C@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000092012075 237013650 /nfs/dbraw/zinc/01/36/50/237013650.db2.gz JEPJVOQQZDXCJK-YVEFUNNKSA-N 0 3 345.399 1.800 20 10 EDCDHN Cn1ccnc1[C@H](O)[C@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000092012075 237013661 /nfs/dbraw/zinc/01/36/61/237013661.db2.gz JEPJVOQQZDXCJK-YVEFUNNKSA-N 0 3 345.399 1.800 20 10 EDCDHN Cn1ccnc1[C@H](O)[C@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000092012075 237013670 /nfs/dbraw/zinc/01/36/70/237013670.db2.gz JEPJVOQQZDXCJK-YVEFUNNKSA-N 0 3 345.399 1.800 20 10 EDCDHN CCOc1ccc(O)c(CN2CCN(C(=O)CN(CC)CC)CC2)c1 ZINC000093046152 237016356 /nfs/dbraw/zinc/01/63/56/237016356.db2.gz ALZTXMHQEAMZEB-UHFFFAOYSA-N 0 3 349.475 1.777 20 10 EDCDHN CN1CCc2cc(CNC(=O)N3CC[C@H]4CCN(C)C[C@H]43)ccc21 ZINC000372466854 250221234 /nfs/dbraw/zinc/22/12/34/250221234.db2.gz RFAWZHKIWQASTG-CRAIPNDOSA-N 0 3 328.460 1.915 20 10 EDCDHN CN(C)c1ccc(CN2CCC[C@@H](n3cnc(C(N)=O)n3)C2)cc1 ZINC000373874300 250246745 /nfs/dbraw/zinc/24/67/45/250246745.db2.gz ZNOJGJZTKHWINJ-OAHLLOKOSA-N 0 3 328.420 1.280 20 10 EDCDHN COC(=O)c1cn([C@H]2CCCN(Cc3cccc(OC)c3O)C2)nn1 ZINC000375178170 250279305 /nfs/dbraw/zinc/27/93/05/250279305.db2.gz STCJIJNVAGAOOA-ZDUSSCGKSA-N 0 3 346.387 1.616 20 10 EDCDHN C[C@@H]1CN(C[C@H]2CCCO2)CC[C@H]1NC(=O)Cc1ccc(N)cc1 ZINC000378206158 250298620 /nfs/dbraw/zinc/29/86/20/250298620.db2.gz PDTIGDSWYNFDJK-ZTFGCOKTSA-N 0 3 331.460 1.817 20 10 EDCDHN COc1ccc([O-])c([C@H](C)[N@@H+]2CCC[C@H]([C@]3(C)NC(=O)NC3=O)C2)c1 ZINC000372588502 286338796 /nfs/dbraw/zinc/33/87/96/286338796.db2.gz BUEZPGKBQLSORA-PZROIBLQSA-N 0 3 347.415 1.772 20 10 EDCDHN COc1ccc([O-])c([C@H](C)[N@H+]2CCC[C@H]([C@]3(C)NC(=O)NC3=O)C2)c1 ZINC000372588502 286338797 /nfs/dbraw/zinc/33/87/97/286338797.db2.gz BUEZPGKBQLSORA-PZROIBLQSA-N 0 3 347.415 1.772 20 10 EDCDHN Cn1cc([C@@H](O)C[C@H]2CCC[N@@H+]2Cc2cc3c(cc2[O-])OCO3)cn1 ZINC000378381213 447424076 /nfs/dbraw/zinc/42/40/76/447424076.db2.gz WQRAGWDQDMBBNR-CABCVRRESA-N 0 3 345.399 1.943 20 10 EDCDHN Cn1cc([C@@H](O)C[C@H]2CCC[N@H+]2Cc2cc3c(cc2[O-])OCO3)cn1 ZINC000378381213 447424080 /nfs/dbraw/zinc/42/40/80/447424080.db2.gz WQRAGWDQDMBBNR-CABCVRRESA-N 0 3 345.399 1.943 20 10 EDCDHN COc1ccc(N2CCCN([C@H](C)CN3CCOCC3)CC2)cc1 ZINC000091509151 441708750 /nfs/dbraw/zinc/70/87/50/441708750.db2.gz WBEVZHQPLCWZHF-QGZVFWFLSA-N 0 3 333.476 1.928 20 10 EDCDHN C[C@@H]([NH2+][C@H]1CCCN(CCN2CCOCC2)C1=O)c1ccccc1[O-] ZINC000378632912 447448473 /nfs/dbraw/zinc/44/84/73/447448473.db2.gz NHLGQAUEXICLPT-WBVHZDCISA-N 0 3 347.459 1.366 20 10 EDCDHN CCN(CC)CC(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1 ZINC000190236761 443074786 /nfs/dbraw/zinc/07/47/86/443074786.db2.gz JZENDUYKTJGEEN-UHFFFAOYSA-N 0 3 346.475 1.313 20 10 EDCDHN COCCO[C@H]1C[C@H](CO)CN(Cc2cccc(OC)c2O)C1 ZINC000278661817 443394418 /nfs/dbraw/zinc/39/44/18/443394418.db2.gz KRHZPSNMROJCEJ-ZFWWWQNUSA-N 0 3 325.405 1.247 20 10 EDCDHN [O-]c1cc2c(cc1C[NH2+][C@@H](CO)C[C@@H](O)c1ccccc1)OCO2 ZINC000269887412 443455208 /nfs/dbraw/zinc/45/52/08/443455208.db2.gz BLMLATOGUYIXLB-HUUCEWRRSA-N 0 3 331.368 1.695 20 10 EDCDHN C[C@@H]1CCC[C@H](CO)N1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000269935808 443456537 /nfs/dbraw/zinc/45/65/37/443456537.db2.gz YJRDUPSCSVSZMS-CRAIPNDOSA-N 0 3 333.476 1.946 20 10 EDCDHN COC(=O)c1cn(CC[NH2+][C@H](C)c2cc3c(cc2[O-])CCCC3)nn1 ZINC000284335686 443773206 /nfs/dbraw/zinc/77/32/06/443773206.db2.gz LCMSVRKAODCJGK-GFCCVEGCSA-N 0 3 344.415 2.000 20 10 EDCDHN Cc1cc(O)c(CN2CCN(c3ccc(C(N)=O)cn3)CC2)cc1C ZINC000298772341 443864125 /nfs/dbraw/zinc/86/41/25/443864125.db2.gz GUOZBPOGEIFOOE-UHFFFAOYSA-N 0 3 340.427 1.825 20 10 EDCDHN CCN1CCN(CCC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000299575225 444083297 /nfs/dbraw/zinc/08/32/97/444083297.db2.gz BHWHGGDRAOLOQR-UHFFFAOYSA-N 0 3 332.492 1.739 20 10 EDCDHN CCN(CC)c1ccc(CNC[C@]2(O)CCS(=O)(=O)C2)cc1F ZINC000294913836 444157300 /nfs/dbraw/zinc/15/73/00/444157300.db2.gz YDYYUUPRZXCYTO-MRXNPFEDSA-N 0 3 344.452 1.311 20 10 EDCDHN C[N@@H+](Cc1cc(F)ccc1[O-])C[C@H](O)CNC(=O)OC(C)(C)C ZINC000295170293 444167712 /nfs/dbraw/zinc/16/77/12/444167712.db2.gz UENCQKQZPRFVBL-CYBMUJFWSA-N 0 3 328.384 1.849 20 10 EDCDHN C[N@H+](Cc1cc(F)ccc1[O-])C[C@H](O)CNC(=O)OC(C)(C)C ZINC000295170293 444167714 /nfs/dbraw/zinc/16/77/14/444167714.db2.gz UENCQKQZPRFVBL-CYBMUJFWSA-N 0 3 328.384 1.849 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@H](CO)C1CCCC1)cc2=O ZINC000289565883 444173538 /nfs/dbraw/zinc/17/35/38/444173538.db2.gz PHRSKSHVKHDVTB-CQSZACIVSA-N 0 3 348.403 1.252 20 10 EDCDHN O=C1COc2cc([N+](=O)[O-])c(N3CC[C@@H](N4CCCC4)C3)cc2N1 ZINC000301623500 444182462 /nfs/dbraw/zinc/18/24/62/444182462.db2.gz ORXFBNBTHDXGNM-LLVKDONJSA-N 0 3 332.360 1.600 20 10 EDCDHN COC(=O)CC[C@@H](N)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000289992260 444227881 /nfs/dbraw/zinc/22/78/81/444227881.db2.gz RFCBWZXDYQCYKX-QGZVFWFLSA-N 0 3 347.459 1.916 20 10 EDCDHN Cc1cccc(C[NH2+]C2CCN(c3nccn(C)c3=O)CC2)c1[O-] ZINC000365101023 446025770 /nfs/dbraw/zinc/02/57/70/446025770.db2.gz QCGYPBPSFCQMNE-UHFFFAOYSA-N 0 3 328.416 1.553 20 10 EDCDHN CN(C)c1ccc(CN(C)C(=O)CN2CC[C@@H]3CCN(C)C[C@H]32)cc1 ZINC000370202224 446192444 /nfs/dbraw/zinc/19/24/44/446192444.db2.gz AQLYJLDUSPBPSQ-PKOBYXMFSA-N 0 3 344.503 1.737 20 10 EDCDHN COc1ccc(O)c(CN2CCC(NC(=O)C3CCOCC3)CC2)c1 ZINC000362040574 446172761 /nfs/dbraw/zinc/17/27/61/446172761.db2.gz PXSNGTQPGOSMCT-UHFFFAOYSA-N 0 3 348.443 1.908 20 10 EDCDHN COC(=O)[C@]12C[N@@H+]([C@@H](C)c3cc(OC)ccc3[O-])C[C@H]1COCC2 ZINC000367301780 446533814 /nfs/dbraw/zinc/53/38/14/446533814.db2.gz SMBASFDVBXYGKP-ZJNRKIDTSA-N 0 3 335.400 1.973 20 10 EDCDHN COC(=O)[C@]12C[N@H+]([C@@H](C)c3cc(OC)ccc3[O-])C[C@H]1COCC2 ZINC000367301780 446533819 /nfs/dbraw/zinc/53/38/19/446533819.db2.gz SMBASFDVBXYGKP-ZJNRKIDTSA-N 0 3 335.400 1.973 20 10 EDCDHN Fc1cc(CN[C@H]2CCc3nccn3C2)ccc1N1CCOCC1 ZINC000727469730 578529660 /nfs/dbraw/zinc/52/96/60/578529660.db2.gz DLJAHETYYYLIAK-HNNXBMFYSA-N 0 3 330.407 1.963 20 10 EDCDHN COc1ccc(N2CCN(C[C@@H](O)CN3CC=C(C)CC3)CC2)cc1 ZINC000754075878 579895713 /nfs/dbraw/zinc/89/57/13/579895713.db2.gz RJKPQJWMAWZNPY-IBGZPJMESA-N 0 3 345.487 1.830 20 10 EDCDHN CCN(CC)c1ccc(CN2CCC(C(=O)NCCO)CC2)cc1 ZINC000768321577 580210773 /nfs/dbraw/zinc/21/07/73/580210773.db2.gz WTDDHRDZGSVAHJ-UHFFFAOYSA-N 0 3 333.476 1.853 20 10 EDCDHN CCCCNC(=O)C1CC[NH+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000768438608 580212705 /nfs/dbraw/zinc/21/27/05/580212705.db2.gz COUDFBCCCOYZMN-QGZVFWFLSA-N 0 3 348.443 1.946 20 10 EDCDHN CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768445695 580213109 /nfs/dbraw/zinc/21/31/09/580213109.db2.gz TUCJBSJUJRMXQH-GUYCJALGSA-N 0 3 348.443 1.946 20 10 EDCDHN CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768445695 580213110 /nfs/dbraw/zinc/21/31/10/580213110.db2.gz TUCJBSJUJRMXQH-GUYCJALGSA-N 0 3 348.443 1.946 20 10 EDCDHN CCCNC(=O)NC(=O)CN[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775255006 580386941 /nfs/dbraw/zinc/38/69/41/580386941.db2.gz MUFVDBQRXPHLTB-AWEZNQCLSA-N 0 3 348.447 1.410 20 10 EDCDHN CCCNC(=O)NC(=O)CN[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775255007 580386954 /nfs/dbraw/zinc/38/69/54/580386954.db2.gz MUFVDBQRXPHLTB-CQSZACIVSA-N 0 3 348.447 1.410 20 10 EDCDHN C[C@H](CN[C@H](C)c1ccc(N2CCOCC2)cc1)CS(C)(=O)=O ZINC000775259041 580387031 /nfs/dbraw/zinc/38/70/31/580387031.db2.gz MVUDLDOJTSWPDA-HUUCEWRRSA-N 0 3 340.489 1.855 20 10 EDCDHN CCN(CCS(C)(=O)=O)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775727370 580398658 /nfs/dbraw/zinc/39/86/58/580398658.db2.gz CXTWXHCHJLXAGY-UHFFFAOYSA-N 0 3 339.505 1.305 20 10 EDCDHN O=C(/C=C\c1ccc(O)c(O)c1)NC1CCN([C@@H]2CCOC2)CC1 ZINC000779527989 580488063 /nfs/dbraw/zinc/48/80/63/580488063.db2.gz FFOWADAODLXDRR-NSRYLSIASA-N 0 3 332.400 1.481 20 10 EDCDHN CN(C)C(=O)CCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000892028759 590758220 /nfs/dbraw/zinc/75/82/20/590758220.db2.gz PZMOOLUOKPDPDN-INIZCTEOSA-N 0 3 349.479 1.133 20 10 EDCDHN CCOC(=O)C1(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CC1 ZINC000891251118 591019403 /nfs/dbraw/zinc/01/94/03/591019403.db2.gz FGDFVNORMQDULZ-INIZCTEOSA-N 0 3 347.459 1.815 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCN(C)C(=O)C2)N(C)C)cc1 ZINC000891256676 591022179 /nfs/dbraw/zinc/02/21/79/591022179.db2.gz ZQRRNZPPIBBEGL-WBVHZDCISA-N 0 3 346.475 1.340 20 10 EDCDHN C[C@@H]1CN[C@@H](C)CN1C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000892938804 591231247 /nfs/dbraw/zinc/23/12/47/591231247.db2.gz CSUAEFLSOIEACC-JKSUJKDBSA-N 0 3 345.491 1.330 20 10 EDCDHN [O-]c1ccc(F)cc1C[NH2+][C@H]1CCCN(CCN2CCOCC2)C1 ZINC000895687852 591249300 /nfs/dbraw/zinc/24/93/00/591249300.db2.gz CTRGIUGMPMCMHG-KRWDZBQOSA-N 0 3 337.439 1.418 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)NCCn2cccn2)N(C)C)cc1 ZINC000893018840 591256515 /nfs/dbraw/zinc/25/65/15/591256515.db2.gz NAOUQVVRKJADOM-KRWDZBQOSA-N 0 3 344.463 1.551 20 10 EDCDHN CC[C@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C(=O)NC ZINC000899097486 591678352 /nfs/dbraw/zinc/67/83/52/591678352.db2.gz BGYVIOPOSGBIFB-HOTGVXAUSA-N 0 3 349.479 1.179 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)N2CCCN(C)CC2)N(C)C)cc1 ZINC000899102461 591682714 /nfs/dbraw/zinc/68/27/14/591682714.db2.gz PRDDJWWUODXSPN-SFHVURJKSA-N 0 3 347.507 1.702 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)NC2(CCO)CC2)N(C)C)cc1 ZINC000899104196 591684501 /nfs/dbraw/zinc/68/45/01/591684501.db2.gz QRPFPQMWKSFLMW-INIZCTEOSA-N 0 3 334.464 1.570 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)N2C[C@H]3CC[C@@H](C2)O3)N(C)C)cc1 ZINC000899098055 591687993 /nfs/dbraw/zinc/68/79/93/591687993.db2.gz LAYBKMICUYMZRO-FGTMMUONSA-N 0 3 346.475 1.928 20 10 EDCDHN COc1ccc(CN2CCC([C@H]3COC(=O)N3)CC2)c(O)c1OC ZINC000897018381 591713015 /nfs/dbraw/zinc/71/30/15/591713015.db2.gz FWMHINUXJLOSLN-CYBMUJFWSA-N 0 3 336.388 1.730 20 10 EDCDHN CN1CCN(c2ccc(CNC(=O)[C@H]3CCN3C(C)(C)C)cc2)CC1 ZINC000899211868 591733613 /nfs/dbraw/zinc/73/36/13/591733613.db2.gz OBZBBRZTVPELBB-GOSISDBHSA-N 0 3 344.503 1.927 20 10 EDCDHN CCOc1ccc(O)c(C[NH2+][C@H]2CCN(c3cc(=O)[n-]cn3)C2)c1 ZINC000898158825 591807613 /nfs/dbraw/zinc/80/76/13/591807613.db2.gz GCYWXSAEQBYSKH-ZDUSSCGKSA-N 0 3 330.388 1.655 20 10 EDCDHN CC[C@H](NCCS(=O)(=O)N=S(C)(C)=O)c1ccc(C)cc1O ZINC000903224684 592136714 /nfs/dbraw/zinc/13/67/14/592136714.db2.gz AEGWIFKUNJKGHP-ZDUSSCGKSA-N 0 3 348.490 1.799 20 10 EDCDHN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C[C@@]1(O)CCCN(C)C1 ZINC000910557449 592877484 /nfs/dbraw/zinc/87/74/84/592877484.db2.gz ASLYGUKPBAAHKI-UZLBHIALSA-N 0 3 347.503 1.955 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNC(=O)Cc2csc(CN)n2)cc1 ZINC000911667331 592973896 /nfs/dbraw/zinc/97/38/96/592973896.db2.gz PZHZWENRCVSVSE-CQSZACIVSA-N 0 3 333.461 1.027 20 10 EDCDHN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000838478860 593177652 /nfs/dbraw/zinc/17/76/52/593177652.db2.gz MVMKXTHUSLMDSY-QGZVFWFLSA-N 0 3 348.491 1.707 20 10 EDCDHN O=C([C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1)N1CCCC1 ZINC000808207050 593239715 /nfs/dbraw/zinc/23/97/15/593239715.db2.gz MNYXHCSGKXDRRK-MLGOLLRUSA-N 0 3 332.400 1.262 20 10 EDCDHN O=C([C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1)N1CCCC1 ZINC000808207050 593239717 /nfs/dbraw/zinc/23/97/17/593239717.db2.gz MNYXHCSGKXDRRK-MLGOLLRUSA-N 0 3 332.400 1.262 20 10 EDCDHN CN1CCN(c2ccc(CN3CCOC[C@@H]3[C@H]3CCCO3)cc2)CC1 ZINC000809698162 593355786 /nfs/dbraw/zinc/35/57/86/593355786.db2.gz AOPBJFOAIRZPNF-WOJBJXKFSA-N 0 3 345.487 1.818 20 10 EDCDHN COc1ccc(N2CCC(NC(=O)N[C@@H](C)CN(C)C)CC2)cc1 ZINC000806684062 593463968 /nfs/dbraw/zinc/46/39/68/593463968.db2.gz PWJYVCFLIQMOOI-AWEZNQCLSA-N 0 3 334.464 1.913 20 10 EDCDHN Fc1cc(CN[C@@H](C2CC2)[C@@H]2CNCCO2)ccc1N1CCOCC1 ZINC000817889699 593645593 /nfs/dbraw/zinc/64/55/93/593645593.db2.gz VATPQRRMIPGIHB-OALUTQOASA-N 0 3 349.450 1.519 20 10 EDCDHN CCOCC[C@H](O)CNCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000819120258 593740003 /nfs/dbraw/zinc/74/00/03/593740003.db2.gz AINBZYQXGJFDEI-INIZCTEOSA-N 0 3 340.439 1.664 20 10 EDCDHN O=C1CC[C@H]([NH+]2CCN(Cc3cc(Cl)ccc3[O-])CC2)CCN1 ZINC000825148145 594136538 /nfs/dbraw/zinc/13/65/38/594136538.db2.gz QWZKHQXOUUIOCB-HNNXBMFYSA-N 0 3 337.851 1.832 20 10 EDCDHN CC[C@@H](O)CC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 ZINC000828259750 594377150 /nfs/dbraw/zinc/37/71/50/594377150.db2.gz SLKAHHSQASCMLV-LJQANCHMSA-N 0 3 345.487 1.996 20 10 EDCDHN CCCN1CC[C@H](NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000830462853 594400964 /nfs/dbraw/zinc/40/09/64/594400964.db2.gz YVGNKELMGZTSAG-INIZCTEOSA-N 0 3 346.475 1.312 20 10 EDCDHN N[C@@H]1C[C@@H]1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000830663935 594451184 /nfs/dbraw/zinc/45/11/84/594451184.db2.gz DWHDBQOHLKUZEK-LEWSCRJBSA-N 0 3 325.359 1.720 20 10 EDCDHN N[C@H](CC(F)F)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000827369837 594665713 /nfs/dbraw/zinc/66/57/13/594665713.db2.gz PARJIJSXFCZGEI-CYBMUJFWSA-N 0 3 345.365 1.386 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)[C@@H]2CCc3c[nH]nc3C2)cc1 ZINC000832266746 594739067 /nfs/dbraw/zinc/73/90/67/594739067.db2.gz IGGNGPFGGTZTLR-CJNGLKHVSA-N 0 3 327.432 1.397 20 10 EDCDHN Cc1nn(C)c(C)c1OCC(=O)NC[C@@H](N)c1ccc(N(C)C)cc1 ZINC000832266159 594739089 /nfs/dbraw/zinc/73/90/89/594739089.db2.gz CZXIHDAQUOGSKU-MRXNPFEDSA-N 0 3 345.447 1.298 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)C2C[C@@H]3COC[C@H](C2)C3=O)cc1 ZINC000832273460 594739559 /nfs/dbraw/zinc/73/95/59/594739559.db2.gz OEEAXPHVXXRGRN-BTFYYFJDSA-N 0 3 345.443 1.110 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)CCOC[C@@H]2CCCO2)cc1 ZINC000832299747 594741101 /nfs/dbraw/zinc/74/11/01/594741101.db2.gz HFVSZRJFDXERCX-IRXDYDNUSA-N 0 3 335.448 1.454 20 10 EDCDHN CN(C)CCN1CCC(NC(=O)NCCc2ccc(N)cc2)CC1 ZINC000841674775 594934440 /nfs/dbraw/zinc/93/44/40/594934440.db2.gz DEVCGDZHOYBEGW-UHFFFAOYSA-N 0 3 333.480 1.137 20 10 EDCDHN CCN1CCN(C[C@H](C)CNC(=O)NCCc2ccc(N)cc2)CC1 ZINC000841837057 594961187 /nfs/dbraw/zinc/96/11/87/594961187.db2.gz NFVSXXRJDZBONX-MRXNPFEDSA-N 0 3 347.507 1.384 20 10 EDCDHN CN1CCN(C(=O)c2csc(Cc3ccc(N)cc3)n2)[C@@H](CN)C1 ZINC000841848678 594965315 /nfs/dbraw/zinc/96/53/15/594965315.db2.gz WEZBXPRRADJJME-AWEZNQCLSA-N 0 3 345.472 1.031 20 10 EDCDHN C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCc1cc(Br)ccc1[O-] ZINC000841989597 594996683 /nfs/dbraw/zinc/99/66/83/594996683.db2.gz ZVRPVVUPEQZNFP-JOYOIKCWSA-N 0 3 342.237 1.952 20 10 EDCDHN CCCC[C@H](CN)NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000842149622 595023423 /nfs/dbraw/zinc/02/34/23/595023423.db2.gz CMIQHRISKDJSAW-MRXNPFEDSA-N 0 3 346.475 1.319 20 10 EDCDHN CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](CN)C1CC1 ZINC000842258599 595057329 /nfs/dbraw/zinc/05/73/29/595057329.db2.gz WZZPJNVCLPAALV-HNNXBMFYSA-N 0 3 333.432 1.374 20 10 EDCDHN Cc1cc(C(=O)N2CCN(C)C[C@@H]2CN)c(C)n1-c1ccccn1 ZINC000834298775 595085085 /nfs/dbraw/zinc/08/50/85/595085085.db2.gz AFTWCIXYDWFTTP-HNNXBMFYSA-N 0 3 327.432 1.204 20 10 EDCDHN CCN(OC)C(=O)CNCc1cc(Br)cc(OC)c1O ZINC000842768017 595193069 /nfs/dbraw/zinc/19/30/69/595193069.db2.gz GPLIFESSHSLUIV-UHFFFAOYSA-N 0 3 347.209 1.663 20 10 EDCDHN COc1cccc(S(=O)(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)c1 ZINC000842784533 595197506 /nfs/dbraw/zinc/19/75/06/595197506.db2.gz IHFPIXVPOUPXJX-QGZVFWFLSA-N 0 3 349.456 1.740 20 10 EDCDHN COC(C)(C)CS(=O)(=O)NC[C@H](N)c1ccc(N(C)C)cc1 ZINC000842786350 595198384 /nfs/dbraw/zinc/19/83/84/595198384.db2.gz YTTAAYJLNLPOLP-AWEZNQCLSA-N 0 3 329.466 1.097 20 10 EDCDHN CCOc1ccc(C[N@@H+]2CCC[C@H](C(=O)N3CCNCC3)C2)c([O-])c1 ZINC000843047021 595272984 /nfs/dbraw/zinc/27/29/84/595272984.db2.gz LDEJCCNBCXZTKN-INIZCTEOSA-N 0 3 347.459 1.435 20 10 EDCDHN CCOc1ccc(C[N@H+]2CCC[C@H](C(=O)N3CCNCC3)C2)c([O-])c1 ZINC000843047021 595272986 /nfs/dbraw/zinc/27/29/86/595272986.db2.gz LDEJCCNBCXZTKN-INIZCTEOSA-N 0 3 347.459 1.435 20 10 EDCDHN N[C@H](C(=O)NCc1ccc(N2CCC(CO)CC2)cc1)C1CCC1 ZINC000844174222 595291804 /nfs/dbraw/zinc/29/18/04/595291804.db2.gz QWWLDMWYFLXLGV-SFHVURJKSA-N 0 3 331.460 1.639 20 10 EDCDHN COc1ccc(N2CCCN(C(=O)COC3(C)CNC3)CC2)cc1 ZINC000844176208 595292973 /nfs/dbraw/zinc/29/29/73/595292973.db2.gz ZRTWCMBBJUBWCL-UHFFFAOYSA-N 0 3 333.432 1.112 20 10 EDCDHN CCc1cccc(C[NH2+][C@H]2CCCN(Cc3nccn3C)C2=O)c1[O-] ZINC000848902127 595465184 /nfs/dbraw/zinc/46/51/84/595465184.db2.gz LCFWRGIJUOIGRR-INIZCTEOSA-N 0 3 342.443 1.969 20 10 EDCDHN CCc1cccc(CN[C@H]2CCCN(Cc3nccn3C)C2=O)c1O ZINC000848902127 595465185 /nfs/dbraw/zinc/46/51/85/595465185.db2.gz LCFWRGIJUOIGRR-INIZCTEOSA-N 0 3 342.443 1.969 20 10 EDCDHN O[C@H](CNCc1ccc(N2CCOCC2)c(F)c1)c1ccccn1 ZINC000853099020 595664224 /nfs/dbraw/zinc/66/42/24/595664224.db2.gz OAANZYMAPVSNJV-GOSISDBHSA-N 0 3 331.391 1.881 20 10 EDCDHN COCCN1CCC[C@H]1CNC(=O)NCc1ccc(N(C)C)cc1C ZINC000115825993 595692366 /nfs/dbraw/zinc/69/23/66/595692366.db2.gz XSWMNLVICLIXCO-SFHVURJKSA-N 0 3 348.491 1.971 20 10 EDCDHN COc1ccc(CN[C@H]2CCN(c3ccc4nncn4n3)C2)cc1C ZINC000858245494 595741896 /nfs/dbraw/zinc/74/18/96/595741896.db2.gz RYXQTYICRBPRMZ-HNNXBMFYSA-N 0 3 338.415 1.810 20 10 EDCDHN COc1ccc(N2CC[C@@H](NC(=O)[C@H](N)Cc3ccccc3)C2)cc1 ZINC000851639898 595864803 /nfs/dbraw/zinc/86/48/03/595864803.db2.gz MTFUHHNKAOZTAT-VQIMIIECSA-N 0 3 339.439 1.960 20 10 EDCDHN CCOC(=O)C[C@@H](O)C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000859190411 595999540 /nfs/dbraw/zinc/99/95/40/595999540.db2.gz JXULWYOIPXFTBA-HZPDHXFCSA-N 0 3 337.416 1.687 20 10 EDCDHN CCOC(=O)C[C@@H](O)C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000859190411 595999542 /nfs/dbraw/zinc/99/95/42/595999542.db2.gz JXULWYOIPXFTBA-HZPDHXFCSA-N 0 3 337.416 1.687 20 10 EDCDHN COCC1(NCC(=O)NCc2ccc(N(C)C)cc2)CCOCC1 ZINC000852090171 596040541 /nfs/dbraw/zinc/04/05/41/596040541.db2.gz VARCIWNWVPBWHG-UHFFFAOYSA-N 0 3 335.448 1.154 20 10 EDCDHN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@@H](CO)CN(C)C)c1 ZINC000861717211 596078758 /nfs/dbraw/zinc/07/87/58/596078758.db2.gz CUQJQGMZJUOCKS-QGZVFWFLSA-N 0 3 343.427 1.559 20 10 EDCDHN COC(=O)[C@]1(OC)CCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000862473639 596333656 /nfs/dbraw/zinc/33/36/56/596333656.db2.gz CTKYVHSFRRPTAF-SFHVURJKSA-N 0 3 334.416 1.287 20 10 EDCDHN CC(C)(C)OC(=O)COCC[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000865683816 596649095 /nfs/dbraw/zinc/64/90/95/596649095.db2.gz HSTHXIBJDFQTAE-UHFFFAOYSA-N 0 3 325.361 1.569 20 10 EDCDHN CCN(CC)c1ccc(CNC[C@@]23COCCN2C(=O)COC3)cc1 ZINC000865799479 596688639 /nfs/dbraw/zinc/68/86/39/596688639.db2.gz AWTATDCYNFJUNH-IBGZPJMESA-N 0 3 347.459 1.250 20 10 EDCDHN COCCN(CC1CCN(C)CC1)C(=O)C(=O)Nc1ccc(N)cc1 ZINC000868261294 596752631 /nfs/dbraw/zinc/75/26/31/596752631.db2.gz PYZJMKXFVIZURD-UHFFFAOYSA-N 0 3 348.447 1.024 20 10 EDCDHN COC(=O)C1=NO[C@]2(CCN(Cc3cc(C)cc(OC)c3O)C2)C1 ZINC000872709483 597040787 /nfs/dbraw/zinc/04/07/87/597040787.db2.gz OUNLFCHIBKYYNP-QGZVFWFLSA-N 0 3 334.372 1.603 20 10 EDCDHN COc1ccnc(OC)c1C(=O)NC[C@H](N)c1ccc(N(C)C)cc1 ZINC000876507112 597224816 /nfs/dbraw/zinc/22/48/16/597224816.db2.gz VSYJBGRYQPWKLG-AWEZNQCLSA-N 0 3 344.415 1.595 20 10 EDCDHN COC[C@@]1(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CCCCN1 ZINC000876959866 597397251 /nfs/dbraw/zinc/39/72/51/597397251.db2.gz QGYWFNMJZQJUML-DNVCBOLYSA-N 0 3 347.459 1.549 20 10 EDCDHN Cc1cccc([O-])c1C[NH2+]C[C@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000877518584 597529779 /nfs/dbraw/zinc/52/97/79/597529779.db2.gz SWYNBSPSHSTFCT-HIFRSBDPSA-N 0 3 326.462 1.898 20 10 EDCDHN Cc1ccc(C[N@@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)c([O-])c1 ZINC000877535176 597532474 /nfs/dbraw/zinc/53/24/74/597532474.db2.gz WXCVSDVFTCXPBP-AWEZNQCLSA-N 0 3 338.473 1.994 20 10 EDCDHN Cc1ccc(C[N@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)c([O-])c1 ZINC000877535176 597532475 /nfs/dbraw/zinc/53/24/75/597532475.db2.gz WXCVSDVFTCXPBP-AWEZNQCLSA-N 0 3 338.473 1.994 20 10 EDCDHN COc1c(N)ncnc1NCc1ccc(N2CCN(C)CC2)cc1 ZINC000882879917 598093938 /nfs/dbraw/zinc/09/39/38/598093938.db2.gz SZKJPJHOHYDCKG-UHFFFAOYSA-N 0 3 328.420 1.431 20 10 EDCDHN C[C@H]1[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CCCN1CCCO ZINC000994499139 696936473 /nfs/dbraw/zinc/93/64/73/696936473.db2.gz WGTCFESZFZFSRP-SWLSCSKDSA-N 0 3 347.419 1.814 20 10 EDCDHN CC[C@H](NCCOCCS(C)(=O)=O)c1ccc(N(C)C)cc1 ZINC000090102642 529603492 /nfs/dbraw/zinc/60/34/92/529603492.db2.gz ZZINTVDNETVHPE-INIZCTEOSA-N 0 3 328.478 1.855 20 10 EDCDHN C[C@@H]1CN(C[C@H]2CN(C)CCO2)CCN1Cc1cc(F)ccc1O ZINC000361054713 250169265 /nfs/dbraw/zinc/16/92/65/250169265.db2.gz VADDDQFVZSCLIT-RHSMWYFYSA-N 0 3 337.439 1.368 20 10 EDCDHN Cc1nc(C)n(C[C@H]2CCCN2Cc2cc3c(cc2O)OCO3)n1 ZINC000363520512 250186091 /nfs/dbraw/zinc/18/60/91/250186091.db2.gz RWBXHHJPGJSPJY-CQSZACIVSA-N 0 3 330.388 1.994 20 10 EDCDHN COc1cccc(CN2CCC(CC(=O)N3CCOCC3)CC2)c1O ZINC000372413273 250219714 /nfs/dbraw/zinc/21/97/14/250219714.db2.gz INXGVIDHZBLCOM-UHFFFAOYSA-N 0 3 348.443 1.862 20 10 EDCDHN COc1cccc(C[NH+]2CCC(CC(=O)N3CCOCC3)CC2)c1[O-] ZINC000372413273 250219717 /nfs/dbraw/zinc/21/97/17/250219717.db2.gz INXGVIDHZBLCOM-UHFFFAOYSA-N 0 3 348.443 1.862 20 10 EDCDHN CCOc1cccc(CN2CCC(N3CCN(C)CC3=O)CC2)c1O ZINC000373295477 250236033 /nfs/dbraw/zinc/23/60/33/250236033.db2.gz GNVLCEXVIVMOMY-UHFFFAOYSA-N 0 3 347.459 1.529 20 10 EDCDHN CN(C)CCOc1cc(C(=O)N(C)Cc2ccccc2O)ccn1 ZINC000119195848 441922620 /nfs/dbraw/zinc/92/26/20/441922620.db2.gz UXSVUKRTFJWADG-UHFFFAOYSA-N 0 3 329.400 2.000 20 10 EDCDHN CN(C)c1ccc(CN2CCC(C(=O)N3CCOCC3)CC2)cc1 ZINC000162662863 442112290 /nfs/dbraw/zinc/11/22/90/442112290.db2.gz GVMLMGZMGJLXOJ-UHFFFAOYSA-N 0 3 331.460 1.823 20 10 EDCDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)c1 ZINC000179659828 442485970 /nfs/dbraw/zinc/48/59/70/442485970.db2.gz TVUQCOZQYVDRRC-CQSZACIVSA-N 0 3 334.416 1.472 20 10 EDCDHN COc1ccc([O-])c(C[N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)c1 ZINC000179659828 442485974 /nfs/dbraw/zinc/48/59/74/442485974.db2.gz TVUQCOZQYVDRRC-CQSZACIVSA-N 0 3 334.416 1.472 20 10 EDCDHN CC[C@@H]([NH2+][C@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccccc1[O-] ZINC000186279871 442502539 /nfs/dbraw/zinc/50/25/39/442502539.db2.gz RABSHGBRSPAIPS-DOTOQJQBSA-N 0 3 347.459 1.366 20 10 EDCDHN COCCCNC(=O)C1CC[NH+](Cc2cc(OC)ccc2[O-])CC1 ZINC000179820751 442508760 /nfs/dbraw/zinc/50/87/60/442508760.db2.gz NLJISRISLVECHZ-UHFFFAOYSA-N 0 3 336.432 1.766 20 10 EDCDHN COCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cc(OC)ccc1[O-])CC2 ZINC000186102831 442463430 /nfs/dbraw/zinc/46/34/30/442463430.db2.gz IJBGNJKYGIQZLU-VXGBXAGGSA-N 0 3 332.404 1.804 20 10 EDCDHN C[C@@H]([NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1)c1ccccc1[O-] ZINC000183601037 442945812 /nfs/dbraw/zinc/94/58/12/442945812.db2.gz LKSPQFATVFTUKX-ZIAGYGMSSA-N 0 3 342.461 1.531 20 10 EDCDHN O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H]1CCCN1C1CC1 ZINC000278532122 443355418 /nfs/dbraw/zinc/35/54/18/443355418.db2.gz ZXVBSUYQCASSLA-SFHVURJKSA-N 0 3 329.444 1.766 20 10 EDCDHN CCN(CC)CC(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000282691669 443408750 /nfs/dbraw/zinc/40/87/50/443408750.db2.gz JANDYSSWCKCXOX-UHFFFAOYSA-N 0 3 342.823 1.889 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN(C)[C@@H]1CCSC1)cc2=O ZINC000270487821 443473315 /nfs/dbraw/zinc/47/33/15/443473315.db2.gz OYZZUGNTCQOVOW-LLVKDONJSA-N 0 3 336.417 1.549 20 10 EDCDHN CCC(CC)(CNCC(=O)NCc1ccc(N(C)C)cc1)C(=O)OC ZINC000279046702 443500436 /nfs/dbraw/zinc/50/04/36/443500436.db2.gz GRCNSPOKGLLQTH-UHFFFAOYSA-N 0 3 349.475 1.938 20 10 EDCDHN CCC[C@@](C)(N)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000272303949 443586309 /nfs/dbraw/zinc/58/63/09/443586309.db2.gz HMWYJESBXMOQBT-GOSISDBHSA-N 0 3 337.439 1.921 20 10 EDCDHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000283535138 443655931 /nfs/dbraw/zinc/65/59/31/443655931.db2.gz POHKPWQASCSZKP-PBHICJAKSA-N 0 3 344.459 1.064 20 10 EDCDHN Cc1cc(CN2CCC3(CC2)NC(=O)N(C)C3=O)ccc1N(C)C ZINC000293902377 444094358 /nfs/dbraw/zinc/09/43/58/444094358.db2.gz WEHGXVPMAIVFKQ-UHFFFAOYSA-N 0 3 330.432 1.577 20 10 EDCDHN C[C@@H]1CN(C2CCOCC2)CCN1Cc1cc2c(cc1O)OCO2 ZINC000278224430 444119361 /nfs/dbraw/zinc/11/93/61/444119361.db2.gz ISUPCXWIJWHROF-CYBMUJFWSA-N 0 3 334.416 1.806 20 10 EDCDHN COc1ccc(N2CCN(CCNC(=O)[C@@H](C)NC3CC3)CC2)cc1 ZINC000295268649 444174325 /nfs/dbraw/zinc/17/43/25/444174325.db2.gz VLKAFOXMPFYQGM-OAHLLOKOSA-N 0 3 346.475 1.074 20 10 EDCDHN CCCNC(=O)CN1CCC([NH2+][C@H]2CCc3cccc([O-])c32)CC1 ZINC000295861663 444193727 /nfs/dbraw/zinc/19/37/27/444193727.db2.gz GPCBYSFYUPLIKK-INIZCTEOSA-N 0 3 331.460 1.960 20 10 EDCDHN CC(C)N(CCN(C)C)C(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000297852508 444342139 /nfs/dbraw/zinc/34/21/39/444342139.db2.gz NBDBICOLDJWOGD-UHFFFAOYSA-N 0 3 348.491 1.510 20 10 EDCDHN CCN1C(=O)[C@@H]2CN([C@H](C)c3cc(OC)ccc3O)CCN2C1=O ZINC000369928950 446169041 /nfs/dbraw/zinc/16/90/41/446169041.db2.gz FSPJGEZUSRVGMU-RISCZKNCSA-N 0 3 333.388 1.430 20 10 EDCDHN COc1ccc([O-])c(C[NH2+][C@@H]2CCN(c3ccccc3C(N)=O)C2)c1 ZINC000362042004 446173880 /nfs/dbraw/zinc/17/38/80/446173880.db2.gz SRZVTLFYEGTLNL-CQSZACIVSA-N 0 3 341.411 1.868 20 10 EDCDHN CN1CC[C@H]2CCN(c3cc4c(cc3[N+](=O)[O-])OCC(=O)N4)C[C@@H]21 ZINC000375047228 446540452 /nfs/dbraw/zinc/54/04/52/446540452.db2.gz CIJCHHPFIJJLSK-HZMBPMFUSA-N 0 3 332.360 1.456 20 10 EDCDHN CN1CC[C@@H]2CCN(c3cc4c(cc3[N+](=O)[O-])OCC(=O)N4)C[C@H]21 ZINC000375047232 446541425 /nfs/dbraw/zinc/54/14/25/446541425.db2.gz CIJCHHPFIJJLSK-QMTHXVAHSA-N 0 3 332.360 1.456 20 10 EDCDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1C[C@H](C(N)=O)[C@@H](c2cnn(C)c2)C1 ZINC000377669256 447285122 /nfs/dbraw/zinc/28/51/22/447285122.db2.gz DKQFPSVKDKUTMQ-PMPSAXMXSA-N 0 3 328.416 1.778 20 10 EDCDHN CC[C@@H](c1ccccc1[O-])[N@H+]1C[C@H](C(N)=O)[C@@H](c2cnn(C)c2)C1 ZINC000377669256 447285124 /nfs/dbraw/zinc/28/51/24/447285124.db2.gz DKQFPSVKDKUTMQ-PMPSAXMXSA-N 0 3 328.416 1.778 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN(C)C1CC(OCC)C1)cc2=O ZINC000286706085 486087008 /nfs/dbraw/zinc/08/70/08/486087008.db2.gz FDNKLDXWNSOSKO-UHFFFAOYSA-N 0 3 348.403 1.611 20 10 EDCDHN CCCS(=O)(=O)N1CCC([NH2+]Cc2c([O-])cccc2OC)CC1 ZINC000725847502 578288786 /nfs/dbraw/zinc/28/87/86/578288786.db2.gz OHFARRSZPKGPKG-UHFFFAOYSA-N 0 3 342.461 1.695 20 10 EDCDHN CC[N@H+](CCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(C)C ZINC000726625425 578352092 /nfs/dbraw/zinc/35/20/92/578352092.db2.gz WYYIGWARKQBHPC-UHFFFAOYSA-N 0 3 343.449 1.224 20 10 EDCDHN CC[N@@H+](CCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(C)C ZINC000726625425 578352094 /nfs/dbraw/zinc/35/20/94/578352094.db2.gz WYYIGWARKQBHPC-UHFFFAOYSA-N 0 3 343.449 1.224 20 10 EDCDHN C[C@@H](NC(=O)N1CC[C@@H](N(C)C)C1)c1ccc(N2CCOCC2)cc1 ZINC000728218886 578544954 /nfs/dbraw/zinc/54/49/54/578544954.db2.gz DSJAQVLJBMDXLC-CRAIPNDOSA-N 0 3 346.475 1.930 20 10 EDCDHN C[C@@H](NC(=O)NCCN(C)C1CC1)c1ccc(N2CCOCC2)cc1 ZINC000732887455 578733939 /nfs/dbraw/zinc/73/39/39/578733939.db2.gz ZWSGMVSXWZEXAU-OAHLLOKOSA-N 0 3 346.475 1.978 20 10 EDCDHN CN(C)Cc1ccc(N2CCN(C(=O)C3=CC(=O)CS3)CC2)nc1 ZINC000734016657 578795389 /nfs/dbraw/zinc/79/53/89/578795389.db2.gz XGHQHWUDBDTGEE-UHFFFAOYSA-N 0 3 346.456 1.873 20 10 EDCDHN CC(=O)N1CCN(CC[NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)CC1 ZINC000756410850 579949724 /nfs/dbraw/zinc/94/97/24/579949724.db2.gz KLTDFFYURGBZKA-WFASDCNBSA-N 0 3 335.423 1.833 20 10 EDCDHN C[C@H]([NH2+]CCNS(=O)(=O)Cc1ccon1)c1cc(F)ccc1[O-] ZINC000756643112 579954077 /nfs/dbraw/zinc/95/40/77/579954077.db2.gz RLCHTRXRFCMYCI-JTQLQIEISA-N 0 3 343.380 1.290 20 10 EDCDHN CCNS(=O)(=O)CCN[C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000756706494 579955705 /nfs/dbraw/zinc/95/57/05/579955705.db2.gz AJZKUMRRDYTVEA-LBPRGKRZSA-N 0 3 326.462 1.861 20 10 EDCDHN NC(=O)[C@@H]1CCCN(c2ccc(CNCC3=CCCOC3)cc2)C1 ZINC000769926379 580248619 /nfs/dbraw/zinc/24/86/19/580248619.db2.gz PCIRIXQTSHXABV-QGZVFWFLSA-N 0 3 329.444 1.825 20 10 EDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCN2C(=O)NC3(CCCC3)C2=O)c1 ZINC000775372425 580389421 /nfs/dbraw/zinc/38/94/21/580389421.db2.gz ACAKFTVUILMTJF-GFCCVEGCSA-N 0 3 347.415 1.916 20 10 EDCDHN CCOc1ccc(O)c(CNC[C@](C)(O)C(=O)OC(C)(C)C)c1 ZINC000776521033 580419198 /nfs/dbraw/zinc/41/91/98/580419198.db2.gz UAAMDWHQAQJNMI-KRWDZBQOSA-N 0 3 325.405 1.973 20 10 EDCDHN CCOc1ccc([O-])c(C[NH2+]C[C@](C)(O)C(=O)OC(C)(C)C)c1 ZINC000776521033 580419199 /nfs/dbraw/zinc/41/91/99/580419199.db2.gz UAAMDWHQAQJNMI-KRWDZBQOSA-N 0 3 325.405 1.973 20 10 EDCDHN CCOc1ccc([O-])c(C[NH2+][C@@H]2CCOC[C@@H]2OCCOC)c1 ZINC000776812811 580429549 /nfs/dbraw/zinc/42/95/49/580429549.db2.gz NFJMRHLIWJMOAR-WBVHZDCISA-N 0 3 325.405 1.701 20 10 EDCDHN CC[C@H](CO)C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 ZINC000779827341 580498772 /nfs/dbraw/zinc/49/87/72/580498772.db2.gz GPOILSNPUUNQFC-GOSISDBHSA-N 0 3 345.487 1.853 20 10 EDCDHN COC[C@@H](NCc1ccc(N2CCN(C)CC2)cc1)[C@@H]1CCCO1 ZINC000788535104 580723925 /nfs/dbraw/zinc/72/39/25/580723925.db2.gz KAQFPZMQXDUYGM-MOPGFXCFSA-N 0 3 333.476 1.722 20 10 EDCDHN CC[C@@H]1CCN1C[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000795651447 580932813 /nfs/dbraw/zinc/93/28/13/580932813.db2.gz YTJQJMIHBCIFJU-SJLPKXTDSA-N 0 3 333.476 1.662 20 10 EDCDHN COc1ccccc1CCNC(=O)CNCc1cccc(OC)c1O ZINC000797882672 580983106 /nfs/dbraw/zinc/98/31/06/580983106.db2.gz FREZQEXHDJBOGB-UHFFFAOYSA-N 0 3 344.411 1.858 20 10 EDCDHN COc1ccc(CN2CCC(N3CCCNC3=O)CC2)c(O)c1OC ZINC000892118387 590809228 /nfs/dbraw/zinc/80/92/28/590809228.db2.gz XWWALXXNBJWVQQ-UHFFFAOYSA-N 0 3 349.431 1.789 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)N[C@H]2CCCN(C)C2)N(C)C)cc1 ZINC000892237914 590881257 /nfs/dbraw/zinc/88/12/57/590881257.db2.gz TYPQOSNVQIZDSU-WMZOPIPTSA-N 0 3 347.507 1.749 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)C2(N(C)C)CCC2)N(C)C)cc1 ZINC000891248446 591017215 /nfs/dbraw/zinc/01/72/15/591017215.db2.gz LVPLGKKAUCMDCE-KRWDZBQOSA-N 0 3 332.492 1.956 20 10 EDCDHN COc1cc(C)cc(CN2CCC[C@@H](CS(N)(=O)=O)C2)c1O ZINC000894016668 591171767 /nfs/dbraw/zinc/17/17/67/591171767.db2.gz HRUOQMHIDYIKOH-GFCCVEGCSA-N 0 3 328.434 1.210 20 10 EDCDHN COc1ccc(CN[C@H](C)C2(S(C)(=O)=O)CC2)c(O)c1OC ZINC000894419385 591307222 /nfs/dbraw/zinc/30/72/22/591307222.db2.gz TVSZQDADEZXUNB-SNVBAGLBSA-N 0 3 329.418 1.465 20 10 EDCDHN COc1cc(C)cc(CN2CCC3(CC2)NC(=O)N(C)C3=O)c1O ZINC000894776308 591412206 /nfs/dbraw/zinc/41/22/06/591412206.db2.gz GSTPLMKSATUISW-UHFFFAOYSA-N 0 3 333.388 1.225 20 10 EDCDHN COc1ccc([O-])c(C[NH2+]CC2(O)CN(C(=O)OC(C)(C)C)C2)c1 ZINC000895207413 591657219 /nfs/dbraw/zinc/65/72/19/591657219.db2.gz LIVIOTDSTNLEOI-UHFFFAOYSA-N 0 3 338.404 1.472 20 10 EDCDHN CNC(=O)CCN(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899102776 591682495 /nfs/dbraw/zinc/68/24/95/591682495.db2.gz RSCZPEJQKFLAGT-INIZCTEOSA-N 0 3 349.479 1.133 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)NCCC2CC(O)C2)N(C)C)cc1 ZINC000899100523 591690159 /nfs/dbraw/zinc/69/01/59/591690159.db2.gz ABKIMIHBSYFQBF-IUPXNIOVSA-N 0 3 348.491 1.816 20 10 EDCDHN COC[C@]1(C)NC(=O)N(C[C@H](c2ccc(N(C)C)cc2)N(C)C)C1=O ZINC000900184407 591932708 /nfs/dbraw/zinc/93/27/08/591932708.db2.gz BSWLPCUTUVVTOQ-QAPCUYQASA-N 0 3 348.447 1.312 20 10 EDCDHN CCOC(=O)[C@@H]1NCC[C@@H]1NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000902519467 592009678 /nfs/dbraw/zinc/00/96/78/592009678.db2.gz ZNXANWYBOYGACZ-RCCFBDPRSA-N 0 3 348.491 1.239 20 10 EDCDHN COC[C@H]1CNCCN1c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] ZINC000900450296 592021133 /nfs/dbraw/zinc/02/11/33/592021133.db2.gz LTRRCOIWWQVVIN-RYWCDNDXSA-N 0 3 335.360 1.206 20 10 EDCDHN COc1ccc(O)c([C@H](C)NC[C@]2(OC)CCS(=O)(=O)C2)c1 ZINC000903364976 592159609 /nfs/dbraw/zinc/15/96/09/592159609.db2.gz GCGXISXBEKBXQS-XHDPSFHLSA-N 0 3 329.418 1.255 20 10 EDCDHN CCN1CCC[C@H]1CNC(=O)C(=O)NCc1ccc(N(C)C)cc1C ZINC000807099945 593144510 /nfs/dbraw/zinc/14/45/10/593144510.db2.gz HZHJOAJCBINDJR-KRWDZBQOSA-N 0 3 346.475 1.278 20 10 EDCDHN CCOc1ccc(C[N@@H+]2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)c([O-])c1 ZINC000809705095 593355754 /nfs/dbraw/zinc/35/57/54/593355754.db2.gz NZWTXOGTHRLNNY-SCLBCKFNSA-N 0 3 347.415 1.744 20 10 EDCDHN CCOc1ccc(C[N@H+]2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)c([O-])c1 ZINC000809705095 593355756 /nfs/dbraw/zinc/35/57/56/593355756.db2.gz NZWTXOGTHRLNNY-SCLBCKFNSA-N 0 3 347.415 1.744 20 10 EDCDHN CC(C)[N@H+](C)C[C@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000811602183 593475005 /nfs/dbraw/zinc/47/50/05/593475005.db2.gz XHSSVJHXCBHQKQ-NSHDSACASA-N 0 3 343.449 1.222 20 10 EDCDHN CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000811602183 593475006 /nfs/dbraw/zinc/47/50/06/593475006.db2.gz XHSSVJHXCBHQKQ-NSHDSACASA-N 0 3 343.449 1.222 20 10 EDCDHN CCOC(=O)[C@@H]1NCC[C@H]1N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000817934626 593650226 /nfs/dbraw/zinc/65/02/26/593650226.db2.gz LKSDTFDHZNCNRA-ZTFGCOKTSA-N 0 3 333.476 1.875 20 10 EDCDHN CN1CCCc2cc(CNC[C@@H](O)COC3CCOCC3)ccc21 ZINC000818985272 593732558 /nfs/dbraw/zinc/73/25/58/593732558.db2.gz QGUPHBOXRZWOEY-QGZVFWFLSA-N 0 3 334.460 1.715 20 10 EDCDHN COc1ccc(N2CC[C@H](CNC(=O)Cc3nc[nH]c3C)C2)cc1 ZINC000819588674 593759933 /nfs/dbraw/zinc/75/99/33/593759933.db2.gz NNULBAQWYXPGGK-CQSZACIVSA-N 0 3 328.416 1.912 20 10 EDCDHN COc1ccc(N2CCN(CCNC(=O)[C@@H](N)C3CCC3)CC2)cc1 ZINC000829499613 594626571 /nfs/dbraw/zinc/62/65/71/594626571.db2.gz BGFKEIGJLHQDIO-SFHVURJKSA-N 0 3 346.475 1.061 20 10 EDCDHN CCC[C@@](C)(N)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000827469283 594675208 /nfs/dbraw/zinc/67/52/08/594675208.db2.gz TUBJVWDYHGOGPP-HNAYVOBHSA-N 0 3 346.475 1.522 20 10 EDCDHN COc1ccc(N2CC[C@H](CNC(=O)[C@@H](N)CC(F)F)C2)cc1 ZINC000831748770 594699014 /nfs/dbraw/zinc/69/90/14/594699014.db2.gz MXIOIHYDMQZHQF-RISCZKNCSA-N 0 3 327.375 1.620 20 10 EDCDHN C[C@H](NC(=O)c1ccoc1)C(=O)NC[C@H](N)c1ccc(N(C)C)cc1 ZINC000832272988 594739557 /nfs/dbraw/zinc/73/95/57/594739557.db2.gz KZIUGOBMEYOPJW-LRDDRELGSA-N 0 3 344.415 1.280 20 10 EDCDHN COC(=O)[C@@H]1CCC[C@@H](C(=O)NC[C@H](N)c2ccc(N(C)C)cc2)C1 ZINC000832274823 594739650 /nfs/dbraw/zinc/73/96/50/594739650.db2.gz ZFNRFAPJPMLULL-INMHGKMJSA-N 0 3 347.459 1.848 20 10 EDCDHN CCc1noc(CCCC(=O)NC[C@H](N)c2ccc(N(C)C)cc2)n1 ZINC000832273765 594739708 /nfs/dbraw/zinc/73/97/08/594739708.db2.gz QAGXAQLWBWVVEJ-HNNXBMFYSA-N 0 3 345.447 1.837 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNC(=O)[C@@H]2Cc3ccccc3O2)cc1 ZINC000832293653 594740840 /nfs/dbraw/zinc/74/08/40/594740840.db2.gz ZRCQCKHITKXNSY-AEFFLSMTSA-N 0 3 325.412 1.872 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)cc1 ZINC000832300042 594741169 /nfs/dbraw/zinc/74/11/69/594741169.db2.gz LKXYQURSEGNYDD-HOCLYGCPSA-N 0 3 346.475 1.516 20 10 EDCDHN COc1cccc([C@@H](C)[NH2+]C2CCN(S(C)(=O)=O)CC2)c1[O-] ZINC000846139063 595154724 /nfs/dbraw/zinc/15/47/24/595154724.db2.gz PHEJIFAPKVRZAK-LLVKDONJSA-N 0 3 328.434 1.475 20 10 EDCDHN COc1ccc(N2CC[C@H](COC(=O)C3CCN(C)C3=O)C2)cc1 ZINC000842876790 595222805 /nfs/dbraw/zinc/22/28/05/595222805.db2.gz XINDQEMXWQWLAU-BBRMVZONSA-N 0 3 332.400 1.543 20 10 EDCDHN CN(C)c1ccc(/C=C/CNC[C@H]2CCCN2S(C)(=O)=O)cc1 ZINC000835042421 595252404 /nfs/dbraw/zinc/25/24/04/595252404.db2.gz VHKKRKMLLXBNKM-UKINESCASA-N 0 3 337.489 1.779 20 10 EDCDHN CN(C)c1ccc(/C=C\CN2CCC[C@@H](N3CCNCC3=O)C2)cc1 ZINC000843063367 595277549 /nfs/dbraw/zinc/27/75/49/595277549.db2.gz ABDHNHMPXMQJDY-SIEMBAAWSA-N 0 3 342.487 1.662 20 10 EDCDHN CCOc1cccc(CN2CCC[C@H](N3CCNCC3=O)C2)c1O ZINC000843066424 595279425 /nfs/dbraw/zinc/27/94/25/595279425.db2.gz XAMYQNLTVDXAQB-HNNXBMFYSA-N 0 3 333.432 1.187 20 10 EDCDHN C[C@H]1CCN[C@H](C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1 ZINC000844173756 595291843 /nfs/dbraw/zinc/29/18/43/595291843.db2.gz UUQKKHKZQJBVCQ-GUYCJALGSA-N 0 3 349.450 1.791 20 10 EDCDHN CN(C)c1ccc(CN(C)C(=O)CN2CCCCC[C@H]2CO)cc1 ZINC000847015872 595351032 /nfs/dbraw/zinc/35/10/32/595351032.db2.gz VYVSNXHUVUHFRP-SFHVURJKSA-N 0 3 333.476 1.948 20 10 EDCDHN CCc1cccc(CN[C@H]2CCN(c3cc(C)nn3C)C2=O)c1O ZINC000848898902 595464681 /nfs/dbraw/zinc/46/46/81/595464681.db2.gz ZZQMLTQKMVRUKI-HNNXBMFYSA-N 0 3 328.416 1.892 20 10 EDCDHN COc1ccc(N2CC[C@@H](NC(=S)NC3CCN(C)CC3)C2)cc1 ZINC000849270319 595498945 /nfs/dbraw/zinc/49/89/45/595498945.db2.gz BKNZBUZTYQJEBU-OAHLLOKOSA-N 0 3 348.516 1.832 20 10 EDCDHN Nc1ccc(Cc2nc(C(=O)N3CCOC4(CNC4)C3)cs2)cc1 ZINC000853245302 595718664 /nfs/dbraw/zinc/71/86/64/595718664.db2.gz JKVAHSVIQLFEDL-UHFFFAOYSA-N 0 3 344.440 1.131 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNS(=O)(=O)CCC(F)(F)F)cc1 ZINC000858612833 595843489 /nfs/dbraw/zinc/84/34/89/595843489.db2.gz ZYVQHFFHURYALN-LBPRGKRZSA-N 0 3 339.383 1.624 20 10 EDCDHN COc1ccc(N2CC[C@H](NC(=O)NCC3=CCN(C)CC3)C2)cc1 ZINC000854298612 596026215 /nfs/dbraw/zinc/02/62/15/596026215.db2.gz GTGDSOHDXSHZCG-INIZCTEOSA-N 0 3 344.459 1.835 20 10 EDCDHN COc1ccc(N2CC[C@@H](NC(=O)N[C@H]3CCCN(C)C3)C2)cc1 ZINC000852186766 596076893 /nfs/dbraw/zinc/07/68/93/596076893.db2.gz HZEYBYGOOIJLJS-LSDHHAIUSA-N 0 3 332.448 1.667 20 10 EDCDHN CN(C)c1ccc(/C=C\CNC[C@@]23COC(=O)N2CCOC3)cc1 ZINC000865770363 596676775 /nfs/dbraw/zinc/67/67/75/596676775.db2.gz KOMDLFHQDKGDDS-DDKKJVIOSA-N 0 3 331.416 1.577 20 10 EDCDHN O=C(Nc1ccc2c(c1)CNCC2)C(=O)N1Cc2cccc(O)c2C1 ZINC000868299625 596775315 /nfs/dbraw/zinc/77/53/15/596775315.db2.gz KIQGDDSJWAGDMP-UHFFFAOYSA-N 0 3 337.379 1.519 20 10 EDCDHN COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)c(OC)c1 ZINC000870163594 596782465 /nfs/dbraw/zinc/78/24/65/596782465.db2.gz ARWIIJSURYTTHS-MRXNPFEDSA-N 0 3 333.432 1.447 20 10 EDCDHN CN(C)c1ccc(CNC[C@@H](O)CC2(O)CCOCC2)cc1F ZINC000872200044 596832276 /nfs/dbraw/zinc/83/22/76/596832276.db2.gz VFYUFADVEKQULO-AWEZNQCLSA-N 0 3 326.412 1.274 20 10 EDCDHN CCONC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 ZINC000125625044 597008648 /nfs/dbraw/zinc/00/86/48/597008648.db2.gz OPUYMVYZHADEDR-UHFFFAOYSA-N 0 3 332.448 1.969 20 10 EDCDHN Cc1cnc(COCC(=O)NC[C@H](N)c2ccc(N(C)C)cc2)o1 ZINC000876506863 597224564 /nfs/dbraw/zinc/22/45/64/597224564.db2.gz PNDBFXGBBKGNLX-HNNXBMFYSA-N 0 3 332.404 1.382 20 10 EDCDHN COc1ccc(N2CCCN(C(=O)c3c(CN)cnn3C)CC2)cc1 ZINC000876732688 597311119 /nfs/dbraw/zinc/31/11/19/597311119.db2.gz CRFMAQWNKRTLNB-UHFFFAOYSA-N 0 3 343.431 1.240 20 10 EDCDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000877138624 597440898 /nfs/dbraw/zinc/44/08/98/597440898.db2.gz PGKZXXLJLVBONA-CZUORRHYSA-N 0 3 325.430 1.527 20 10 EDCDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000877138623 597441052 /nfs/dbraw/zinc/44/10/52/597441052.db2.gz PGKZXXLJLVBONA-CJNGLKHVSA-N 0 3 325.430 1.527 20 10 EDCDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000879652272 597674641 /nfs/dbraw/zinc/67/46/41/597674641.db2.gz BPMBYEPJLITKPY-XQQFMLRXSA-N 0 3 340.445 1.077 20 10 EDCDHN CCCn1cc(CNCc2ccc(N3CCN(C)CC3)cc2)nn1 ZINC000883283148 597699627 /nfs/dbraw/zinc/69/96/27/597699627.db2.gz RYQXVUJERNRYBJ-UHFFFAOYSA-N 0 3 328.464 1.730 20 10 EDCDHN CN1CCN(c2ccc(CNC(=O)CCc3c[nH]cn3)cc2)CC1 ZINC000881854133 597756546 /nfs/dbraw/zinc/75/65/46/597756546.db2.gz TXUMCDWOFUVARY-UHFFFAOYSA-N 0 3 327.432 1.411 20 10 EDCDHN CS(=O)(=O)C[C@H](O)CNCc1ccc(N2CCCCC2)cc1 ZINC000922827963 704391345 /nfs/dbraw/zinc/39/13/45/704391345.db2.gz XHTRGOCFNQDKJN-MRXNPFEDSA-N 0 3 326.462 1.172 20 10 EDCDHN O=c1[nH]c(=O)n(C2CC2)cc1CNCc1ccc2c(c1)CCCO2 ZINC000922332377 711063823 /nfs/dbraw/zinc/06/38/23/711063823.db2.gz FDXYNFZGTPHHSG-UHFFFAOYSA-N 0 3 327.384 1.899 20 10 EDCDHN COc1cc([O-])c(C[N@@H+]2CCCC[C@@H]2[C@H]2CNC(=O)C2)cc1OC ZINC000373218813 295004091 /nfs/dbraw/zinc/00/40/91/295004091.db2.gz VDRKTGHWDIKESV-TZMCWYRMSA-N 0 3 334.416 1.900 20 10 EDCDHN COc1cc([O-])c(C[N@H+]2CCCC[C@@H]2[C@H]2CNC(=O)C2)cc1OC ZINC000373218813 295004092 /nfs/dbraw/zinc/00/40/92/295004092.db2.gz VDRKTGHWDIKESV-TZMCWYRMSA-N 0 3 334.416 1.900 20 10 EDCDHN Cc1cccc(CN2CCN(C[C@H]3CN(C)CCO3)C[C@H]2C)c1O ZINC000378436738 447427708 /nfs/dbraw/zinc/42/77/08/447427708.db2.gz DBNDUSKVAANUHR-SJLPKXTDSA-N 0 3 333.476 1.537 20 10 EDCDHN COCCOCCN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000154025766 442317172 /nfs/dbraw/zinc/31/71/72/442317172.db2.gz OAISBEBKFCFASO-AWEZNQCLSA-N 0 3 326.412 1.976 20 10 EDCDHN C[C@H](N[C@H]1CCCCNC1=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000177873451 442392074 /nfs/dbraw/zinc/39/20/74/442392074.db2.gz ONONAFMBIWGCEZ-BBRMVZONSA-N 0 3 335.423 1.982 20 10 EDCDHN COc1ccc(O)c(CN2CCCN(CC(=O)N3CCCC3)CC2)c1 ZINC000179676399 442488446 /nfs/dbraw/zinc/48/84/46/442488446.db2.gz CTBWCPNOAOUMJL-UHFFFAOYSA-N 0 3 347.459 1.531 20 10 EDCDHN O=S(=O)(CC[NH2+]Cc1cc(F)ccc1[O-])NC[C@H]1CCCCO1 ZINC000180763477 442657319 /nfs/dbraw/zinc/65/73/19/442657319.db2.gz POEMHMOAMUMNQU-CQSZACIVSA-N 0 3 346.424 1.109 20 10 EDCDHN COc1cc(O)c(CN2CCC(Cn3cncn3)CC2)cc1OC ZINC000186913658 442629321 /nfs/dbraw/zinc/62/93/21/442629321.db2.gz GPUGEBQUPSZCPM-UHFFFAOYSA-N 0 3 332.404 1.913 20 10 EDCDHN COc1cc([O-])c(C[NH+]2CCC(Cn3cncn3)CC2)cc1OC ZINC000186913658 442629325 /nfs/dbraw/zinc/62/93/25/442629325.db2.gz GPUGEBQUPSZCPM-UHFFFAOYSA-N 0 3 332.404 1.913 20 10 EDCDHN CN(C)C/C=C/C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000265721490 442893796 /nfs/dbraw/zinc/89/37/96/442893796.db2.gz ZLYUGAWSJZYPQI-ONEGZZNKSA-N 0 3 331.460 1.629 20 10 EDCDHN C[C@@H](NC[C@@H]1CCS(=O)(=O)C1)c1ccc(N2CCOCC2)cc1 ZINC000268776843 443105496 /nfs/dbraw/zinc/10/54/96/443105496.db2.gz WDNCMHWFYFWBJH-CABCVRRESA-N 0 3 338.473 1.609 20 10 EDCDHN COC(=O)c1cn(C2CCN(Cc3cc(OC)ccc3O)CC2)nn1 ZINC000273718652 443585206 /nfs/dbraw/zinc/58/52/06/443585206.db2.gz HQQUISAMGSRTDZ-UHFFFAOYSA-N 0 3 346.387 1.616 20 10 EDCDHN COC(=O)c1cn(C2CC[NH+](Cc3cc(OC)ccc3[O-])CC2)nn1 ZINC000273718652 443585210 /nfs/dbraw/zinc/58/52/10/443585210.db2.gz HQQUISAMGSRTDZ-UHFFFAOYSA-N 0 3 346.387 1.616 20 10 EDCDHN C[C@H]1CCCN(CCNC(=O)C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000283840054 443738331 /nfs/dbraw/zinc/73/83/31/443738331.db2.gz CJRSPERTHXACTB-HNNXBMFYSA-N 0 3 346.475 1.217 20 10 EDCDHN CCN1CC[C@H]2CC[C@@H](C1)N2CC(=O)NCc1ccc(N(C)C)cc1 ZINC000299202171 443981208 /nfs/dbraw/zinc/98/12/08/443981208.db2.gz GIQVGRXGWCZDBD-MOPGFXCFSA-N 0 3 344.503 1.927 20 10 EDCDHN CS(=O)(=O)CC1CCC([NH2+]Cc2cc3c(cc2[O-])OCO3)CC1 ZINC000295030478 444164033 /nfs/dbraw/zinc/16/40/33/444164033.db2.gz DEZOTMLVEJBZHI-UHFFFAOYSA-N 0 3 341.429 1.814 20 10 EDCDHN CN(C)c1ccc(CN2CCC(N3CCN(C)CC3=O)CC2)cc1 ZINC000365013007 445975360 /nfs/dbraw/zinc/97/53/60/445975360.db2.gz BAJAJGVXFLRNDP-UHFFFAOYSA-N 0 3 330.476 1.491 20 10 EDCDHN Cc1nccc(CN2CCC[C@@H]([NH2+]Cc3cc(F)ccc3[O-])C2=O)n1 ZINC000368626906 446989775 /nfs/dbraw/zinc/98/97/75/446989775.db2.gz VIFPVSRWOBUPLT-MRXNPFEDSA-N 0 3 344.390 1.911 20 10 EDCDHN CCOc1ccc([O-])c(C[N@@H+]2C[C@H]3COCC[C@@]3(C(=O)OC)C2)c1 ZINC000376013456 447210904 /nfs/dbraw/zinc/21/09/04/447210904.db2.gz IFQNAMPSLWDPNR-KBXCAEBGSA-N 0 3 335.400 1.802 20 10 EDCDHN CCOc1ccc([O-])c(C[N@H+]2C[C@H]3COCC[C@@]3(C(=O)OC)C2)c1 ZINC000376013456 447210912 /nfs/dbraw/zinc/21/09/12/447210912.db2.gz IFQNAMPSLWDPNR-KBXCAEBGSA-N 0 3 335.400 1.802 20 10 EDCDHN CCCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000297975125 535260166 /nfs/dbraw/zinc/26/01/66/535260166.db2.gz HWMNKBNDGWXURZ-MRXNPFEDSA-N 0 3 347.459 1.683 20 10 EDCDHN CCOc1cccc(CN[C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)c1O ZINC000742390077 579450456 /nfs/dbraw/zinc/45/04/56/579450456.db2.gz ATQSGUWNTQDIGG-WFASDCNBSA-N 0 3 344.415 1.808 20 10 EDCDHN C[C@H]1C[C@H](NCc2cc3c(cc2O)OCO3)C(=O)N1c1cnn(C)c1 ZINC000742391508 579450629 /nfs/dbraw/zinc/45/06/29/579450629.db2.gz KQIOEVLZGITZDM-GWCFXTLKSA-N 0 3 344.371 1.138 20 10 EDCDHN CN(C)c1ccc(CN(C[C@@H](O)CN2CCCC2=O)C2CC2)cc1 ZINC000732408293 578710492 /nfs/dbraw/zinc/71/04/92/578710492.db2.gz GXBDFMMUPTVYDZ-SFHVURJKSA-N 0 3 331.460 1.700 20 10 EDCDHN COCCN1CC[C@H](NC(=O)N[C@@H](C)c2cc(OC)ccc2O)C1 ZINC000736663791 579009831 /nfs/dbraw/zinc/00/98/31/579009831.db2.gz AHHMXVCWVCMMGZ-STQMWFEESA-N 0 3 337.420 1.482 20 10 EDCDHN C[C@H](NCC(=O)N1CCN(C)CC1)c1cc2c(cc1O)CCCC2 ZINC000756491383 579950933 /nfs/dbraw/zinc/95/09/33/579950933.db2.gz VGUUKZRYOWMIRK-AWEZNQCLSA-N 0 3 331.460 1.696 20 10 EDCDHN CC(C)NS(=O)(=O)CC[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756684542 579954834 /nfs/dbraw/zinc/95/48/34/579954834.db2.gz YNFNECGVUORIGB-CMPLNLGQSA-N 0 3 330.425 1.997 20 10 EDCDHN Cc1cc(Br)c([O-])c(C[NH2+]C[C@]2(O)CCN(C)C2)c1 ZINC000762567143 580077758 /nfs/dbraw/zinc/07/77/58/580077758.db2.gz AUGBZYOVMVGWDS-CQSZACIVSA-N 0 3 329.238 1.619 20 10 EDCDHN C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768461845 580213745 /nfs/dbraw/zinc/21/37/45/580213745.db2.gz GCHUZXSDOVXQGL-OVLVRJBISA-N 0 3 348.443 1.502 20 10 EDCDHN C[C@@H](CN[C@@H](C)c1ccc(N2CCOCC2)cc1)S(C)(=O)=O ZINC000773106126 580327227 /nfs/dbraw/zinc/32/72/27/580327227.db2.gz IQVZSNZLXQJOKP-KBPBESRZSA-N 0 3 326.462 1.607 20 10 EDCDHN O=S1(=O)CCN(c2ccc(CNC[C@H]3CCC=CO3)cc2)CC1 ZINC000775010822 580380688 /nfs/dbraw/zinc/38/06/88/580380688.db2.gz DSQPXFLHWFTLKT-QGZVFWFLSA-N 0 3 336.457 1.704 20 10 EDCDHN CN1CCN(c2ccc(CN3CC[C@](O)(C(F)(F)F)C3)cc2)CC1 ZINC000775714989 580398262 /nfs/dbraw/zinc/39/82/62/580398262.db2.gz ACRYTKXGTJGCDE-MRXNPFEDSA-N 0 3 343.393 1.938 20 10 EDCDHN COC(=O)[C@]1(F)CCN(Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000775735805 580398980 /nfs/dbraw/zinc/39/89/80/580398980.db2.gz XXNHQHCMXFQONS-SFHVURJKSA-N 0 3 335.423 1.525 20 10 EDCDHN O=C(/C=C/c1ccc(O)c(O)c1)NC1CCN(C[C@H]2CCCO2)CC1 ZINC000779516949 580487646 /nfs/dbraw/zinc/48/76/46/580487646.db2.gz KXGRSVDWNMXWKU-MQDFFIGUSA-N 0 3 346.427 1.871 20 10 EDCDHN CC1(C)CN(Cc2ccc(N3CCOCC3)cc2)CCN1CCO ZINC000783715762 580604586 /nfs/dbraw/zinc/60/45/86/580604586.db2.gz VKTLZJJDPCNTDU-UHFFFAOYSA-N 0 3 333.476 1.412 20 10 EDCDHN CC(=O)N1CCN(c2ccc(CNc3cc(C)nc(N)n3)cc2)CC1 ZINC000786071000 580660138 /nfs/dbraw/zinc/66/01/38/580660138.db2.gz DCWNUIWRCSUSTC-UHFFFAOYSA-N 0 3 340.431 1.648 20 10 EDCDHN COc1ccc(O)c(CNCC(=O)NCCc2ccccc2OC)c1 ZINC000798087084 580987127 /nfs/dbraw/zinc/98/71/27/580987127.db2.gz GISUGUFLHRFOFV-UHFFFAOYSA-N 0 3 344.411 1.858 20 10 EDCDHN CC[C@H](CCO)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000893145269 590681453 /nfs/dbraw/zinc/68/14/53/590681453.db2.gz DHRNGCPUDZTYRX-NVXWUHKLSA-N 0 3 336.480 1.816 20 10 EDCDHN CNS(=O)(=O)C[C@@H]1CCCN1Cc1ccc(N(C)C)cc1C ZINC000840919127 590808692 /nfs/dbraw/zinc/80/86/92/590808692.db2.gz UTCCVMZUVZNIBT-INIZCTEOSA-N 0 3 325.478 1.575 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cnn(C)c2N)N(C)C)cc1 ZINC000891246360 591015880 /nfs/dbraw/zinc/01/58/80/591015880.db2.gz BLKWPUKBSGLNQF-OAHLLOKOSA-N 0 3 330.436 1.101 20 10 EDCDHN CCOc1ccc(O)c(CN2CCC(O)(COCCO)CC2)c1 ZINC000895827344 591278147 /nfs/dbraw/zinc/27/81/47/591278147.db2.gz OFRUVDCQIVUHNM-UHFFFAOYSA-N 0 3 325.405 1.127 20 10 EDCDHN C[C@@H]1C[C@H](NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C(=O)O1 ZINC000896382914 591444844 /nfs/dbraw/zinc/44/48/44/591444844.db2.gz RFAAZLONOQNKBP-UHOFOFEASA-N 0 3 348.447 1.359 20 10 EDCDHN CC(C)(C)OC(=O)N1CC[C@](O)(C[NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000897692850 591625371 /nfs/dbraw/zinc/62/53/71/591625371.db2.gz CDWLJQUTYYMPRV-KRWDZBQOSA-N 0 3 340.395 1.993 20 10 EDCDHN CCOc1ccc(C[NH2+]CCS(=O)(=O)N2CCCC2)c([O-])c1 ZINC000897831985 591688647 /nfs/dbraw/zinc/68/86/47/591688647.db2.gz HNAKVXZYGNVURC-UHFFFAOYSA-N 0 3 328.434 1.306 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)N2CCC[C@@](C)(O)C2)N(C)C)cc1 ZINC000899100622 591689994 /nfs/dbraw/zinc/68/99/94/591689994.db2.gz AYXMWDVYGOZTAJ-PKOBYXMFSA-N 0 3 348.491 1.912 20 10 EDCDHN CCOC(=O)N1C[C@H](NCc2ccc(N(C)C)c(F)c2)[C@@H](CO)C1 ZINC000898359811 591871624 /nfs/dbraw/zinc/87/16/24/591871624.db2.gz UPDSHVWLULTQDB-HIFRSBDPSA-N 0 3 339.411 1.431 20 10 EDCDHN CCOC(=O)N1C[C@H](CO)[C@H](NCc2ccc(N(C)C)c(F)c2)C1 ZINC000898359812 591871899 /nfs/dbraw/zinc/87/18/99/591871899.db2.gz UPDSHVWLULTQDB-UKRRQHHQSA-N 0 3 339.411 1.431 20 10 EDCDHN COCC[C@H]1NC(=O)N(C[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1=O ZINC000900185639 591932497 /nfs/dbraw/zinc/93/24/97/591932497.db2.gz QHHJHJNFIAVVLP-CVEARBPZSA-N 0 3 348.447 1.312 20 10 EDCDHN C[C@H](NC(=O)C(=O)N1CC[C@@H]2CC[C@@]21CN)c1ccc(N(C)C)cc1 ZINC000911228182 592969585 /nfs/dbraw/zinc/96/95/85/592969585.db2.gz XYBYBULIVHHVMV-ZUEVXXBESA-N 0 3 344.459 1.270 20 10 EDCDHN CC(=O)C(=O)COC(=O)C1CCN(c2ccc(F)c(F)c2)C1=O ZINC000808507978 593263426 /nfs/dbraw/zinc/26/34/26/593263426.db2.gz NCWBDGMCNNMAHB-JTQLQIEISA-N 0 3 325.267 1.019 20 10 EDCDHN CCN1C[C@@H](C)N(CC(=O)NCc2ccc(N(C)C)cc2)C[C@@H]1C ZINC000839532687 593333892 /nfs/dbraw/zinc/33/38/92/593333892.db2.gz ZKCQMUGQKYLRBV-JKSUJKDBSA-N 0 3 332.492 1.783 20 10 EDCDHN CO[C@@H]1[C@H]2C[C@H]3CN(CC(=O)NCc4ccc(N(C)C)cc4)[C@H]1[C@H]3C2 ZINC000839600370 593347700 /nfs/dbraw/zinc/34/77/00/593347700.db2.gz BCUIUQGZPRTFOU-NHQOTNMQSA-N 0 3 343.471 1.724 20 10 EDCDHN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)N(C)CCN(C)C ZINC000817861101 593642057 /nfs/dbraw/zinc/64/20/57/593642057.db2.gz BXXFFJGCDWERRX-HNNXBMFYSA-N 0 3 348.491 1.128 20 10 EDCDHN C[C@H]([NH2+]CC(=O)N1CCNCC1)c1cc(Br)ccc1[O-] ZINC000817946306 593651138 /nfs/dbraw/zinc/65/11/38/593651138.db2.gz WGYILAXIQGWVPV-JTQLQIEISA-N 0 3 342.237 1.237 20 10 EDCDHN COC[C@H](O)CNCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000818966375 593730908 /nfs/dbraw/zinc/73/09/08/593730908.db2.gz JTVQTXMGATWBJS-KCQAQPDRSA-N 0 3 326.412 1.536 20 10 EDCDHN COC[C@@H](C)OC[C@@H](O)CNCc1ccc(N2CCOCC2)cc1 ZINC000818972099 593731273 /nfs/dbraw/zinc/73/12/73/593731273.db2.gz DFRRMCBJIFLPGC-QAPCUYQASA-N 0 3 338.448 1.025 20 10 EDCDHN O[C@@H](CNCc1ccc(N2CCC(O)CC2)c(F)c1)Cn1cccn1 ZINC000819120447 593740024 /nfs/dbraw/zinc/74/00/24/593740024.db2.gz BRTVHKMLIVJPJA-INIZCTEOSA-N 0 3 348.422 1.134 20 10 EDCDHN COCCN1CCC[C@@H]1CN1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819169159 593742457 /nfs/dbraw/zinc/74/24/57/593742457.db2.gz YUVQRJBPEHDNMF-OAHLLOKOSA-N 0 3 347.415 1.267 20 10 EDCDHN CS[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1N(C)C ZINC000821353820 594025906 /nfs/dbraw/zinc/02/59/06/594025906.db2.gz BASPSRJMJBGWCX-CHWSQXEVSA-N 0 3 335.433 1.967 20 10 EDCDHN CN(C)c1ccc(CN2CCN([C@H]3CCNC(=O)CC3)CC2)cc1 ZINC000825148030 594136526 /nfs/dbraw/zinc/13/65/26/594136526.db2.gz OYPCYEYRCVDFSJ-GOSISDBHSA-N 0 3 330.476 1.539 20 10 EDCDHN O=C(C[C@@H]1CNCCO1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000829003792 594547198 /nfs/dbraw/zinc/54/71/98/594547198.db2.gz REEXFFIXAMGDDJ-HZPDHXFCSA-N 0 3 334.416 1.278 20 10 EDCDHN COc1ccc(N2CCCN(C(=O)[C@@H](N)CC(F)F)CC2)cc1 ZINC000827459063 594674157 /nfs/dbraw/zinc/67/41/57/594674157.db2.gz SJEPHWXDEQSCBW-AWEZNQCLSA-N 0 3 327.375 1.716 20 10 EDCDHN Cc1ncc(Cl)c(C(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)n1 ZINC000832274569 594739553 /nfs/dbraw/zinc/73/95/53/594739553.db2.gz VYZLVPDQFQYRHS-CQSZACIVSA-N 0 3 333.823 1.934 20 10 EDCDHN Cc1cc(O)c(CN2CCN(CCC(=O)N(C)C)CC2)c(Cl)c1 ZINC000840915632 594827478 /nfs/dbraw/zinc/82/74/78/594827478.db2.gz DTHUANKDCNDYQP-UHFFFAOYSA-N 0 3 339.867 1.950 20 10 EDCDHN CN(C)[C@H](CNC(=O)C(=O)Nc1ccc(N)cc1)C1CCCCC1 ZINC000841006807 594838232 /nfs/dbraw/zinc/83/82/32/594838232.db2.gz IEJZCJXVABTWGH-MRXNPFEDSA-N 0 3 332.448 1.834 20 10 EDCDHN CN(C)c1ccc(CNC(=O)NC[C@H]2CCCCN2CCO)cc1 ZINC000836223483 594939901 /nfs/dbraw/zinc/93/99/01/594939901.db2.gz BKOLAAOYZNKGFY-QGZVFWFLSA-N 0 3 334.464 1.399 20 10 EDCDHN COc1ccccc1[C@H](N)C(=O)NC[C@H](N)c1ccc(N(C)C)cc1 ZINC000841846258 594963706 /nfs/dbraw/zinc/96/37/06/594963706.db2.gz NMTNTFVNWCJDBY-WMZOPIPTSA-N 0 3 342.443 1.577 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)[C@H](N)c2c(F)cccc2F)cc1 ZINC000841846689 594963917 /nfs/dbraw/zinc/96/39/17/594963917.db2.gz SJOQOXHNCWJQQO-DOTOQJQBSA-N 0 3 348.397 1.847 20 10 EDCDHN CCN(CC)c1ccc(CN(C)C(=O)NC[C@@H]2CNCCO2)cc1 ZINC000842010432 595001845 /nfs/dbraw/zinc/00/18/45/595001845.db2.gz HHDDPNPVGALLQA-KRWDZBQOSA-N 0 3 334.464 1.663 20 10 EDCDHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCCc1ccc(N)cc1 ZINC000842217496 595042716 /nfs/dbraw/zinc/04/27/16/595042716.db2.gz APYBAOHLHZSRNI-MRXNPFEDSA-N 0 3 346.475 1.164 20 10 EDCDHN CC(=O)NCCCCCC(=O)NC[C@@H](N)c1ccc(N(C)C)cc1 ZINC000843297445 595066328 /nfs/dbraw/zinc/06/63/28/595066328.db2.gz JGJLIFXKIZNXTR-QGZVFWFLSA-N 0 3 334.464 1.565 20 10 EDCDHN CC1(OCC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CNC1 ZINC000843483971 595125797 /nfs/dbraw/zinc/12/57/97/595125797.db2.gz GISISSJMEFECKC-HNNXBMFYSA-N 0 3 334.416 1.278 20 10 EDCDHN COc1cccc([C@@H](C)[NH2+][C@H]2CCCN(S(C)(=O)=O)C2)c1[O-] ZINC000846142448 595155887 /nfs/dbraw/zinc/15/58/87/595155887.db2.gz TZZGVEIRKUDEMW-NEPJUHHUSA-N 0 3 328.434 1.475 20 10 EDCDHN COc1cccc([C@@H](C)N[C@H]2CCCN(S(C)(=O)=O)C2)c1O ZINC000846142448 595155890 /nfs/dbraw/zinc/15/58/90/595155890.db2.gz TZZGVEIRKUDEMW-NEPJUHHUSA-N 0 3 328.434 1.475 20 10 EDCDHN Cc1cc(N2CC[C@H]([NH2+][C@@H]3CCc4cccc([O-])c43)C2=O)n(C)n1 ZINC000834673080 595187763 /nfs/dbraw/zinc/18/77/63/595187763.db2.gz MPPMJQKUFPRAHK-KGLIPLIRSA-N 0 3 326.400 1.817 20 10 EDCDHN CCCN(CCC)S(=O)(=O)NC[C@H](N)c1ccc(N(C)C)cc1 ZINC000842785050 595197557 /nfs/dbraw/zinc/19/75/57/595197557.db2.gz NZCNDKNSEVWOPS-INIZCTEOSA-N 0 3 342.509 1.709 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNS(=O)(=O)CCc2ccccc2)cc1 ZINC000842785754 595198316 /nfs/dbraw/zinc/19/83/16/595198316.db2.gz VYDAIJVHZLLGFC-GOSISDBHSA-N 0 3 347.484 1.915 20 10 EDCDHN CC(C)NS(=O)(=O)NCCNC/C=C\c1ccc(N(C)C)cc1 ZINC000835048944 595252945 /nfs/dbraw/zinc/25/29/45/595252945.db2.gz NNVUZPGOAZFAPL-WAYWQWQTSA-N 0 3 340.493 1.188 20 10 EDCDHN O=C1[C@H](NCc2ccc(N3CCOCC3)cc2)C[C@H]2CCCCN12 ZINC000835074153 595257498 /nfs/dbraw/zinc/25/74/98/595257498.db2.gz QMTGKHXBYCYJMU-QZTJIDSGSA-N 0 3 329.444 1.766 20 10 EDCDHN O=C(NCc1ccc(N2CCOCC2)cc1)[C@H]1CNCCC1(F)F ZINC000844171413 595290875 /nfs/dbraw/zinc/29/08/75/595290875.db2.gz SSZSMZVJRYGYSP-OAHLLOKOSA-N 0 3 339.386 1.384 20 10 EDCDHN C[NH+](C)C1(CNC(=O)NCc2cc(Cl)ccc2[O-])CCOCC1 ZINC000844973449 595421824 /nfs/dbraw/zinc/42/18/24/595421824.db2.gz IPRLARSHXOQJKY-UHFFFAOYSA-N 0 3 341.839 1.956 20 10 EDCDHN CC(C)(CO)C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 ZINC000847640487 595461377 /nfs/dbraw/zinc/46/13/77/595461377.db2.gz LDOQSKYKBZEOHW-UHFFFAOYSA-N 0 3 345.487 1.853 20 10 EDCDHN COc1ccc(N2CC[C@@H](NC(=O)c3[nH]nc4c3CNCC4)C2)cc1 ZINC000852844366 595572042 /nfs/dbraw/zinc/57/20/42/595572042.db2.gz TUKRDFLGPSYYBR-GFCCVEGCSA-N 0 3 341.415 1.073 20 10 EDCDHN NC1(C(=O)NCc2ccc(N3CCOCC3)cc2)CC2(CCC2)C1 ZINC000852859293 595581033 /nfs/dbraw/zinc/58/10/33/595581033.db2.gz RASHNVOPIHSGBF-UHFFFAOYSA-N 0 3 329.444 1.801 20 10 EDCDHN O=C(NCc1ccc(N2CCOCC2)cc1)C1(NC2CC2)CCC1 ZINC000852859060 595581153 /nfs/dbraw/zinc/58/11/53/595581153.db2.gz NKKPBUMXMWPZNO-UHFFFAOYSA-N 0 3 329.444 1.814 20 10 EDCDHN NC(C(=O)NCc1ccc(N2CCC(O)CC2)cc1)C(F)(F)F ZINC000852869082 595588658 /nfs/dbraw/zinc/58/86/58/595588658.db2.gz UFGPWSANSMUZRD-CYBMUJFWSA-N 0 3 331.338 1.154 20 10 EDCDHN CCN(C)c1ccc(CN2CCC[C@@H](CS(=O)(=O)NC)C2)cc1 ZINC000860194821 595608746 /nfs/dbraw/zinc/60/87/46/595608746.db2.gz YGABQXFJTVRYOJ-MRXNPFEDSA-N 0 3 339.505 1.904 20 10 EDCDHN O[C@@H](CNCc1ccc(N2CCC(O)CC2)cc1)c1cccnc1 ZINC000853122909 595672754 /nfs/dbraw/zinc/67/27/54/595672754.db2.gz VTRLUGXXXBNFLC-IBGZPJMESA-N 0 3 327.428 1.866 20 10 EDCDHN CN(C)c1ccc(CNC[C@@]2(CO)COCC3(CCC3)N2C)cc1 ZINC000858222516 595735117 /nfs/dbraw/zinc/73/51/17/595735117.db2.gz QZZSVABRDQXGPN-LJQANCHMSA-N 0 3 333.476 1.458 20 10 EDCDHN C[C@@H]1CN(c2ccc(CNc3nc(N)nc(N)n3)cc2F)C[C@@H](C)O1 ZINC000858353956 595772207 /nfs/dbraw/zinc/77/22/07/595772207.db2.gz FHRIACKMYWOKOP-NXEZZACHSA-N 0 3 347.398 1.401 20 10 EDCDHN COc1ccc(N2CC[C@H](NC(=O)CNC[C@@H]3CCCO3)C2)cc1 ZINC000851639524 595864457 /nfs/dbraw/zinc/86/44/57/595864457.db2.gz HBFUKKYMUIDXDS-YOEHRIQHSA-N 0 3 333.432 1.159 20 10 EDCDHN CCOC(=O)C[C@H](O)CN[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000859230498 596011326 /nfs/dbraw/zinc/01/13/26/596011326.db2.gz ZRYRISIBGLCUEX-PBHICJAKSA-N 0 3 336.432 1.488 20 10 EDCDHN COc1ccc(O)c([C@@H](C)NC(=O)c2cnn(CCN(C)C)c2)c1 ZINC000866765520 596330096 /nfs/dbraw/zinc/33/00/96/596330096.db2.gz WUTCQEDOSCBZNN-GFCCVEGCSA-N 0 3 332.404 1.650 20 10 EDCDHN CSC[C@@](C)(O)CNCc1ccc(N2CCOCC2)c(F)c1 ZINC000120681322 596651997 /nfs/dbraw/zinc/65/19/97/596651997.db2.gz INCYBIYJXFFUFW-INIZCTEOSA-N 0 3 328.453 1.866 20 10 EDCDHN COc1ccc(N2CCN(CCCNC(=O)[C@@H](C)N(C)C)CC2)cc1 ZINC000873845656 597417181 /nfs/dbraw/zinc/41/71/81/597417181.db2.gz WVYOKBBAFVBUMR-MRXNPFEDSA-N 0 3 348.491 1.274 20 10 EDCDHN CC(C)[C@@H](N)c1cn(CC(=O)NCc2ccc(N(C)C)cc2)nn1 ZINC000881093729 598073900 /nfs/dbraw/zinc/07/39/00/598073900.db2.gz GUJIKCVHCIQRFV-QGZVFWFLSA-N 0 3 330.436 1.316 20 10 EDCDHN C[C@H]1[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CCCN1CCCO ZINC000994499142 696936739 /nfs/dbraw/zinc/93/67/39/696936739.db2.gz WGTCFESZFZFSRP-WFASDCNBSA-N 0 3 347.419 1.814 20 10 EDCDHN C[C@@H](O)CN1CC[C@@H](N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001033700326 708526170 /nfs/dbraw/zinc/52/61/70/708526170.db2.gz XLERXORZHBUFJD-BXUZGUMPSA-N 0 3 333.392 1.376 20 10 EDCDHN CN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@H]1CCN(CCCO)C1 ZINC001033698960 708546739 /nfs/dbraw/zinc/54/67/39/708546739.db2.gz GWIUOKMSDXCBPD-AWEZNQCLSA-N 0 3 333.392 1.378 20 10 EDCDHN COc1cccc(CNCc2cn(C(C)(C)C)c(=O)[nH]c2=O)c1O ZINC000922497908 711614421 /nfs/dbraw/zinc/61/44/21/711614421.db2.gz HNYRYBWKGABTQC-UHFFFAOYSA-N 0 3 333.388 1.708 20 10 EDCDHN NC(=O)c1cccnc1N1CCC[N@H+](Cc2ccccc2[O-])CC1 ZINC000378495527 447434408 /nfs/dbraw/zinc/43/44/08/447434408.db2.gz MQNHCCJEIODEIF-UHFFFAOYSA-N 0 3 326.400 1.598 20 10 EDCDHN NC(=O)c1cccnc1N1CCC[N@@H+](Cc2ccccc2[O-])CC1 ZINC000378495527 447434416 /nfs/dbraw/zinc/43/44/16/447434416.db2.gz MQNHCCJEIODEIF-UHFFFAOYSA-N 0 3 326.400 1.598 20 10 EDCDHN CN1CCCc2cc(CNC(=O)c3[nH]nc4c3CNCC4)ccc21 ZINC000188747399 442802294 /nfs/dbraw/zinc/80/22/94/442802294.db2.gz DHRQEKVJPBLXJV-UHFFFAOYSA-N 0 3 325.416 1.368 20 10 EDCDHN O=C(CC1(N2CCOCC2)CCCC1)NCc1ccc(O)c(O)c1 ZINC000182531770 442782625 /nfs/dbraw/zinc/78/26/25/442782625.db2.gz YPDFHCKNROKHKB-UHFFFAOYSA-N 0 3 334.416 1.749 20 10 EDCDHN O=C(NCc1ccc(N2CCOCC2)c(F)c1)C12CCCN1CCC2 ZINC000278509058 443350660 /nfs/dbraw/zinc/35/06/60/443350660.db2.gz AKPQETBMICSMOU-UHFFFAOYSA-N 0 3 347.434 1.907 20 10 EDCDHN [O-]c1cc2c(cc1C[NH2+]C[C@@H]1CCC3(CCOCC3)[C@@H]1O)OCO2 ZINC000282843849 443448439 /nfs/dbraw/zinc/44/84/39/443448439.db2.gz OZDUOVJQHWXDRV-YVEFUNNKSA-N 0 3 335.400 1.778 20 10 EDCDHN COc1ccc(N2CCN(C(=O)CNC(C)(C)C(C)(C)O)CC2)cc1 ZINC000271649842 443508467 /nfs/dbraw/zinc/50/84/67/443508467.db2.gz RTINVYAGWZMZQL-UHFFFAOYSA-N 0 3 349.475 1.483 20 10 EDCDHN CCN(CC)CCNC(=O)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000283650437 443682090 /nfs/dbraw/zinc/68/20/90/443682090.db2.gz CUJJALUJWSJYAJ-UHFFFAOYSA-N 0 3 348.491 1.607 20 10 EDCDHN CN(CCNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)C1CC1 ZINC000284304590 443771739 /nfs/dbraw/zinc/77/17/39/443771739.db2.gz VHNKVJOOMATFTD-UHFFFAOYSA-N 0 3 344.459 1.113 20 10 EDCDHN CCCN(Cc1ccccc1O)C(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000298636844 443824635 /nfs/dbraw/zinc/82/46/35/443824635.db2.gz KKSBPBCTLHWOME-UHFFFAOYSA-N 0 3 347.459 1.683 20 10 EDCDHN CN(C)c1ccc(CNC(=O)CN[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cc1 ZINC000296095449 444204424 /nfs/dbraw/zinc/20/44/24/444204424.db2.gz HQBKCXMSOONYMN-QXAKKESOSA-N 0 3 343.471 1.916 20 10 EDCDHN COc1cc(O)c(CN[C@@H]2CCCc3c2cnn3CCO)cc1OC ZINC000367593994 446564678 /nfs/dbraw/zinc/56/46/78/446564678.db2.gz NOOIUSPZIDRRMC-CQSZACIVSA-N 0 3 347.415 1.765 20 10 EDCDHN COc1cccc(C[N@@H+]2CCC[C@@H](CN3CCN(C)CC3)C2)c1[O-] ZINC000377624642 447252052 /nfs/dbraw/zinc/25/20/52/447252052.db2.gz LIJHUPIILGGQIR-INIZCTEOSA-N 0 3 333.476 1.860 20 10 EDCDHN COc1cccc(C[N@H+]2CCC[C@@H](CN3CCN(C)CC3)C2)c1[O-] ZINC000377624642 447252057 /nfs/dbraw/zinc/25/20/57/447252057.db2.gz LIJHUPIILGGQIR-INIZCTEOSA-N 0 3 333.476 1.860 20 10 EDCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@@]2(CO)COCC3(CCC3)N2C)c1 ZINC000527956666 448398671 /nfs/dbraw/zinc/39/86/71/448398671.db2.gz QXYYDWIXTQSXAX-DNVCBOLYSA-N 0 3 334.460 1.967 20 10 EDCDHN COc1cc(Br)cc(C[NH2+]C[C@H]2COCCN2)c1[O-] ZINC000530182093 449071086 /nfs/dbraw/zinc/07/10/86/449071086.db2.gz RDHLJPAIRJIRJL-NSHDSACASA-N 0 3 331.210 1.241 20 10 EDCDHN CCN(CC)CC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000299297153 520579048 /nfs/dbraw/zinc/57/90/48/520579048.db2.gz RTLKZGWTLZMNFF-UHFFFAOYSA-N 0 3 337.439 1.745 20 10 EDCDHN C[C@@H](CO)N(CC(=O)NCc1ccc(N(C)C)cc1)C1CCCC1 ZINC000298539350 524787883 /nfs/dbraw/zinc/78/78/83/524787883.db2.gz MXFYIHDKKNCATR-HNNXBMFYSA-N 0 3 333.476 1.994 20 10 EDCDHN COc1cc(Br)cc(C[NH2+]CCCn2cncn2)c1[O-] ZINC000725844945 578288479 /nfs/dbraw/zinc/28/84/79/578288479.db2.gz CPXRWTRHLOOKLV-UHFFFAOYSA-N 0 3 341.209 1.935 20 10 EDCDHN C[C@@H](NC(=O)NC[C@H]1CCCN1C)c1ccc(N2CCOCC2)cc1 ZINC000726243081 578337577 /nfs/dbraw/zinc/33/75/77/578337577.db2.gz FPYMJKOOLQFECP-CRAIPNDOSA-N 0 3 346.475 1.978 20 10 EDCDHN Cc1ccc(C(=O)OCC(=O)NC2CCN(C3CC3)CC2)c(O)c1O ZINC000727005558 578508522 /nfs/dbraw/zinc/50/85/22/578508522.db2.gz SMCXEDKQKAGPHH-UHFFFAOYSA-N 0 3 348.399 1.306 20 10 EDCDHN C[C@H](NC(=O)CN(Cc1ccccc1O)C1CCCC1)C(=O)N(C)C ZINC000732205046 578697291 /nfs/dbraw/zinc/69/72/91/578697291.db2.gz YGRTUUXDNNEBNX-AWEZNQCLSA-N 0 3 347.459 1.730 20 10 EDCDHN CCCC[N@H+](C)CCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000732834313 578732419 /nfs/dbraw/zinc/73/24/19/578732419.db2.gz JLYOYPVQRMFOSE-UHFFFAOYSA-N 0 3 343.449 1.225 20 10 EDCDHN CCCC[N@@H+](C)CCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000732834313 578732420 /nfs/dbraw/zinc/73/24/20/578732420.db2.gz JLYOYPVQRMFOSE-UHFFFAOYSA-N 0 3 343.449 1.225 20 10 EDCDHN CN(C)C[C@@H]1CN(C(=O)/C=C\c2cnn(C)c2)c2ccccc2O1 ZINC000760818709 580038815 /nfs/dbraw/zinc/03/88/15/580038815.db2.gz QLCICAOGAAQUTL-WHLNPGIBSA-N 0 3 326.400 1.789 20 10 EDCDHN CNS(=O)(=O)[C@@H]1CCCN(Cc2cc3c(cc2O)CCCC3)C1 ZINC000768445836 580213136 /nfs/dbraw/zinc/21/31/36/580213136.db2.gz IMQARHWQLVRKQR-MRXNPFEDSA-N 0 3 338.473 1.785 20 10 EDCDHN COC(=O)[C@H]1CC12CC[NH+](Cc1cc3c(cc1[O-])OC[C@@H]3O)CC2 ZINC000768447930 580213316 /nfs/dbraw/zinc/21/33/16/580213316.db2.gz RSBYIQQGHMFTKW-HIFRSBDPSA-N 0 3 333.384 1.593 20 10 EDCDHN CNS(=O)(=O)C[C@H]1CCCN1Cc1cc(OC)c(C)cc1O ZINC000768463326 580213914 /nfs/dbraw/zinc/21/39/14/580213914.db2.gz GSPURSNZZIQZQM-CYBMUJFWSA-N 0 3 328.434 1.223 20 10 EDCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H](Cn3ccnn3)C1)[C@H](O)CO2 ZINC000768463670 580213956 /nfs/dbraw/zinc/21/39/56/580213956.db2.gz VOPMXFJWEWZVAP-BLLLJJGKSA-N 0 3 330.388 1.322 20 10 EDCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H](Cn3ccnn3)C1)[C@H](O)CO2 ZINC000768463670 580213957 /nfs/dbraw/zinc/21/39/57/580213957.db2.gz VOPMXFJWEWZVAP-BLLLJJGKSA-N 0 3 330.388 1.322 20 10 EDCDHN Cn1cc(C[C@H]2CC[N@H+](Cc3cc4c(cc3[O-])OC[C@H]4O)C2)cn1 ZINC000768465345 580214055 /nfs/dbraw/zinc/21/40/55/580214055.db2.gz HARUVFMKMSTMAW-SJKOYZFVSA-N 0 3 329.400 1.616 20 10 EDCDHN Cn1cc(C[C@H]2CC[N@@H+](Cc3cc4c(cc3[O-])OC[C@H]4O)C2)cn1 ZINC000768465345 580214056 /nfs/dbraw/zinc/21/40/56/580214056.db2.gz HARUVFMKMSTMAW-SJKOYZFVSA-N 0 3 329.400 1.616 20 10 EDCDHN O[C@H](CNCc1ccc(N2CCOCC2)c(F)c1)c1cccnc1 ZINC000771978170 580299979 /nfs/dbraw/zinc/29/99/79/580299979.db2.gz JTGBBBGWWJDNRX-GOSISDBHSA-N 0 3 331.391 1.881 20 10 EDCDHN COc1ccc([O-])c(C[NH2+]CCN2C(=O)c3ccccc3C2=O)c1 ZINC000776073730 580407506 /nfs/dbraw/zinc/40/75/06/580407506.db2.gz SBLXTQIZAHVEQG-UHFFFAOYSA-N 0 3 326.352 1.787 20 10 EDCDHN O=C(/C=C/c1ccc(O)c(O)c1)N1CCN(c2ccncc2)CC1 ZINC000779474697 580486566 /nfs/dbraw/zinc/48/65/66/580486566.db2.gz DMFIFUSMKRUFOT-DUXPYHPUSA-N 0 3 325.368 1.855 20 10 EDCDHN COC[C@@H](CN[C@H](C)c1ccc(N2CCOCC2)c(F)c1)OC ZINC000781429159 580549375 /nfs/dbraw/zinc/54/93/75/580549375.db2.gz YHMPVOSBXWXXEK-UKRRQHHQSA-N 0 3 326.412 1.974 20 10 EDCDHN C[C@@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2)C[C@@H](C)S1=O ZINC000792192497 580813014 /nfs/dbraw/zinc/81/30/14/580813014.db2.gz OOEBBRGHXUBGQW-HZPDHXFCSA-N 0 3 335.517 1.780 20 10 EDCDHN COCC[C@@H](CO)[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000798504660 580999364 /nfs/dbraw/zinc/99/93/64/580999364.db2.gz CWBGPCJEGSNMGI-NSHDSACASA-N 0 3 334.210 1.650 20 10 EDCDHN CC(C)OC[C@@H](C)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000800239316 581048575 /nfs/dbraw/zinc/04/85/75/581048575.db2.gz GTHOIZNGFDIZPO-OAHLLOKOSA-N 0 3 340.489 1.825 20 10 EDCDHN CC[C@@H]([NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccccc1[O-] ZINC000806169885 590739955 /nfs/dbraw/zinc/73/99/55/590739955.db2.gz LNNRNNCNPWGABI-UKRRQHHQSA-N 0 3 341.477 1.704 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cn[nH]c(=O)c2)N(C)C)cc1 ZINC000891248931 591018924 /nfs/dbraw/zinc/01/89/24/591018924.db2.gz OVPSIKSVLOJMEV-OAHLLOKOSA-N 0 3 329.404 1.281 20 10 EDCDHN Cc1nnsc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891252168 591019855 /nfs/dbraw/zinc/01/98/55/591019855.db2.gz HUECZZIYWRCIMY-CQSZACIVSA-N 0 3 333.461 1.945 20 10 EDCDHN COc1ccc(CN2CCC(Cn3cncn3)CC2)c(O)c1OC ZINC000893709023 591056993 /nfs/dbraw/zinc/05/69/93/591056993.db2.gz RHEZJJFMIACSSI-UHFFFAOYSA-N 0 3 332.404 1.913 20 10 EDCDHN COc1cc(C)cc(CNCCS(=O)(=O)NC(C)(C)C)c1O ZINC000894207741 591229513 /nfs/dbraw/zinc/22/95/13/591229513.db2.gz XAKDPYWCBSLLMH-UHFFFAOYSA-N 0 3 330.450 1.517 20 10 EDCDHN CN1CCN(c2ccc(CN3CCCn4nncc4C3)cc2)CC1 ZINC000895755901 591266542 /nfs/dbraw/zinc/26/65/42/591266542.db2.gz QUFAWJOLLXMFAK-UHFFFAOYSA-N 0 3 326.448 1.436 20 10 EDCDHN COc1cc(C)cc(C[NH2+]C[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)c1[O-] ZINC000894317208 591276277 /nfs/dbraw/zinc/27/62/77/591276277.db2.gz KQQNEEZIMFUUKU-SCLBCKFNSA-N 0 3 347.415 1.519 20 10 EDCDHN CSCCONC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000894541251 591337678 /nfs/dbraw/zinc/33/76/78/591337678.db2.gz WAMVTZSYQCCMKT-HNNXBMFYSA-N 0 3 340.493 1.949 20 10 EDCDHN C[C@H](CCO)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899101818 591682459 /nfs/dbraw/zinc/68/24/59/591682459.db2.gz MOJSLTHGMVMVBF-PBHICJAKSA-N 0 3 336.480 1.673 20 10 EDCDHN CCC[C@H](O)CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899102195 591682937 /nfs/dbraw/zinc/68/29/37/591682937.db2.gz NWLOISIHPUWJJS-DLBZAZTESA-N 0 3 336.480 1.816 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2CCC[C@@H]2CO)N(C)C)cc1 ZINC000899098228 591688187 /nfs/dbraw/zinc/68/81/87/591688187.db2.gz MTHMCWUHNYCGMI-NXHRZFHOSA-N 0 3 348.491 1.816 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)N2CCC3(COC3)C2)N(C)C)cc1 ZINC000899099194 591689260 /nfs/dbraw/zinc/68/92/60/591689260.db2.gz WSICBBTYODZIHZ-QGZVFWFLSA-N 0 3 346.475 1.787 20 10 EDCDHN NS(=O)(=O)C[C@@H]1CCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000897057690 591726615 /nfs/dbraw/zinc/72/66/15/591726615.db2.gz HKBPKTFPRNLCTQ-MRXNPFEDSA-N 0 3 337.489 1.787 20 10 EDCDHN COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCN(c3cc(=O)[n-]cn3)C2)c1 ZINC000898152548 591804214 /nfs/dbraw/zinc/80/42/14/591804214.db2.gz KMHSTTBFMLEPCP-NWDGAFQWSA-N 0 3 330.388 1.826 20 10 EDCDHN CN(C)c1ccc2c(c1)OCCN2C(=O)C1CN(C2CCOCC2)C1 ZINC000900895507 592160081 /nfs/dbraw/zinc/16/00/81/592160081.db2.gz QDTUUJUVLVAHRT-UHFFFAOYSA-N 0 3 345.443 1.589 20 10 EDCDHN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C1CN(C)CCN(C)C1 ZINC000906344210 592799724 /nfs/dbraw/zinc/79/97/24/592799724.db2.gz CWCOEGCQSWOIBU-UHFFFAOYSA-N 0 3 346.519 1.983 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)[C@@H]2C[C@H]2c2cncn2C)cc1 ZINC000911666391 592973885 /nfs/dbraw/zinc/97/38/85/592973885.db2.gz IIODQXVVVKQZQZ-OAGGEKHMSA-N 0 3 327.432 1.406 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)[C@@H]2CCc3n[nH]cc3C2)cc1 ZINC000911668216 592974593 /nfs/dbraw/zinc/97/45/93/592974593.db2.gz WKWASEYPQSOSKR-CJNGLKHVSA-N 0 3 327.432 1.397 20 10 EDCDHN COc1ccc(N2CCCN(C(=O)N[C@@H](C)CN(C)C)CC2)cc1 ZINC000807577396 593182630 /nfs/dbraw/zinc/18/26/30/593182630.db2.gz QCMMYBUVSNZRFC-HNNXBMFYSA-N 0 3 334.464 1.867 20 10 EDCDHN CCCN(CC)CCNC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000807777607 593198881 /nfs/dbraw/zinc/19/88/81/593198881.db2.gz RPSWKVAJSQDIES-OAHLLOKOSA-N 0 3 348.491 1.778 20 10 EDCDHN Cc1cc(C(=O)N[C@H](CO)CN2CCCC2)c(C)n1-c1ccccn1 ZINC000808221335 593242207 /nfs/dbraw/zinc/24/22/07/593242207.db2.gz FOTWHYMNCADSTO-INIZCTEOSA-N 0 3 342.443 1.676 20 10 EDCDHN CC[C@H](C)N(C)CCNC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000804221088 593397908 /nfs/dbraw/zinc/39/79/08/593397908.db2.gz QAXADCFSMGCRER-GJZGRUSLSA-N 0 3 348.491 1.776 20 10 EDCDHN O=C1OCCN1C[C@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000824451208 594015048 /nfs/dbraw/zinc/01/50/48/594015048.db2.gz ORTXLHONWHPEAC-KRWDZBQOSA-N 0 3 345.443 1.797 20 10 EDCDHN COc1cc([O-])c(C[N@@H+]2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)cc1OC ZINC000824654372 594051207 /nfs/dbraw/zinc/05/12/07/594051207.db2.gz NPCJFGAWTIIPLM-NWANDNLSSA-N 0 3 337.416 1.771 20 10 EDCDHN COc1cc([O-])c(C[N@H+]2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)cc1OC ZINC000824654372 594051209 /nfs/dbraw/zinc/05/12/09/594051209.db2.gz NPCJFGAWTIIPLM-NWANDNLSSA-N 0 3 337.416 1.771 20 10 EDCDHN COC1CCN(c2ccc(CN3CC[C@H](CO)[C@H](O)C3)cc2)CC1 ZINC000829159077 594575381 /nfs/dbraw/zinc/57/53/81/594575381.db2.gz KLPXWCYHLKSQEA-VQIMIIECSA-N 0 3 334.460 1.477 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNC(=O)[C@@H]2CSCCS2)cc1 ZINC000832265884 594738973 /nfs/dbraw/zinc/73/89/73/594738973.db2.gz AXKFAOSQITVUAI-KGLIPLIRSA-N 0 3 325.503 1.717 20 10 EDCDHN CNC(=O)c1cccc(C(=O)NC[C@H](N)c2ccc(N(C)C)cc2)c1 ZINC000832272656 594739544 /nfs/dbraw/zinc/73/95/44/594739544.db2.gz IDSBENVNFIDQRS-KRWDZBQOSA-N 0 3 340.427 1.542 20 10 EDCDHN CC(C)[C@H](C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1)N1CCCC1=O ZINC000832279626 594739910 /nfs/dbraw/zinc/73/99/10/594739910.db2.gz KYOTZQKCOOHKGO-SJLPKXTDSA-N 0 3 346.475 1.516 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)c2cnn(C)c2C2CC2)cc1 ZINC000832282026 594740077 /nfs/dbraw/zinc/74/00/77/594740077.db2.gz XLKWNMRGUIUMIS-INIZCTEOSA-N 0 3 327.432 1.793 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)[C@H]2Cc3ccccc3O2)cc1 ZINC000832293654 594740788 /nfs/dbraw/zinc/74/07/88/594740788.db2.gz ZRCQCKHITKXNSY-FUHWJXTLSA-N 0 3 325.412 1.872 20 10 EDCDHN C[C@H](O)CNCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 ZINC000840747289 594814145 /nfs/dbraw/zinc/81/41/45/594814145.db2.gz NIOFSEVPIIXLPS-AWEZNQCLSA-N 0 3 345.422 1.413 20 10 EDCDHN COc1cc(Br)cc(CN2CC[C@@H]3C[NH2+]C[C@@H]32)c1[O-] ZINC000841027174 594841507 /nfs/dbraw/zinc/84/15/07/594841507.db2.gz YMVUTKFARAQOIF-SKDRFNHKSA-N 0 3 327.222 1.957 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)[C@H]2NCCc3ccccc32)cc1 ZINC000841845977 594964014 /nfs/dbraw/zinc/96/40/14/594964014.db2.gz INQYGVBENMIXQC-OALUTQOASA-N 0 3 338.455 1.756 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNC(=O)[C@](C)(N)c2ccccc2)cc1 ZINC000841846844 594964332 /nfs/dbraw/zinc/96/43/32/594964332.db2.gz WSUNTNPGUSKHGT-IEBWSBKVSA-N 0 3 326.444 1.743 20 10 EDCDHN C[C@H]1CN(CCCNC(=O)NCCc2ccc(N)cc2)CCCO1 ZINC000841885502 594973832 /nfs/dbraw/zinc/97/38/32/594973832.db2.gz BTXALMLWLIQTCS-HNNXBMFYSA-N 0 3 334.464 1.611 20 10 EDCDHN COc1ccc(N(C)CCN(C)C(=O)c2[nH]nc3c2CNCC3)cc1 ZINC000846697916 595303382 /nfs/dbraw/zinc/30/33/82/595303382.db2.gz YLFGCOASAGUCAQ-UHFFFAOYSA-N 0 3 343.431 1.272 20 10 EDCDHN COc1ccc(N(C)CCN(C)CC2CCS(=O)(=O)CC2)cc1 ZINC000844400500 595337329 /nfs/dbraw/zinc/33/73/29/595337329.db2.gz CSXXQAXOWXLGBF-UHFFFAOYSA-N 0 3 340.489 1.888 20 10 EDCDHN COC(=O)[C@@H]1C[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C[C@H]1C1CC1 ZINC000844765870 595392938 /nfs/dbraw/zinc/39/29/38/595392938.db2.gz URVZOODAPABSAC-LZWOXQAQSA-N 0 3 333.384 1.449 20 10 EDCDHN COC(=O)[C@@H]1C[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C[C@H]1C1CC1 ZINC000844765870 595392940 /nfs/dbraw/zinc/39/29/40/595392940.db2.gz URVZOODAPABSAC-LZWOXQAQSA-N 0 3 333.384 1.449 20 10 EDCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@@]2(O)CCOC2)c1[O-] ZINC000848535598 595403482 /nfs/dbraw/zinc/40/34/82/595403482.db2.gz DWTUPGALMXHCLH-XPTSAGLGSA-N 0 3 346.221 1.965 20 10 EDCDHN COc1ccc(O)c([C@H](C)NC(=O)c2ccn(CCN(C)C)n2)c1 ZINC000847588776 595453250 /nfs/dbraw/zinc/45/32/50/595453250.db2.gz BDWRAKQEIBGOEL-LBPRGKRZSA-N 0 3 332.404 1.650 20 10 EDCDHN COC(=O)N1CCC(C(=O)NC[C@H](N)c2ccc(N(C)C)cc2)CC1 ZINC000852791956 595545047 /nfs/dbraw/zinc/54/50/47/595545047.db2.gz ODIQVZAAMATCES-INIZCTEOSA-N 0 3 348.447 1.347 20 10 EDCDHN NC(=O)[C@@H]1CCC[N@H+](CCCNCc2c([O-])cccc2Cl)C1 ZINC000113336902 595712567 /nfs/dbraw/zinc/71/25/67/595712567.db2.gz UYLANPPFYXAYCY-GFCCVEGCSA-N 0 3 325.840 1.723 20 10 EDCDHN NC(=O)[C@@H]1CCC[N@@H+](CCCNCc2c([O-])cccc2Cl)C1 ZINC000113336902 595712571 /nfs/dbraw/zinc/71/25/71/595712571.db2.gz UYLANPPFYXAYCY-GFCCVEGCSA-N 0 3 325.840 1.723 20 10 EDCDHN NC(=O)[C@@H]1CCCN(CCC[NH2+]Cc2c([O-])cccc2Cl)C1 ZINC000113336902 595712573 /nfs/dbraw/zinc/71/25/73/595712573.db2.gz UYLANPPFYXAYCY-GFCCVEGCSA-N 0 3 325.840 1.723 20 10 EDCDHN CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000858252836 595743181 /nfs/dbraw/zinc/74/31/81/595743181.db2.gz UZRSGKWTWVOHMD-VXGBXAGGSA-N 0 3 342.417 1.071 20 10 EDCDHN C[C@H]([NH2+]C1CN(S(=O)(=O)N(C)C)C1)c1ccc2ccccc2c1[O-] ZINC000858569481 595831791 /nfs/dbraw/zinc/83/17/91/595831791.db2.gz IKWMZMYAFAWUKS-LBPRGKRZSA-N 0 3 349.456 1.687 20 10 EDCDHN COc1ccc(N2CC[C@@H](NC(=O)NC3CCN(C)CC3)C2)cc1 ZINC000852180155 596072053 /nfs/dbraw/zinc/07/20/53/596072053.db2.gz IGPKTEBYOJBRSG-OAHLLOKOSA-N 0 3 332.448 1.667 20 10 EDCDHN COc1ccc([O-])c(C[NH2+]C[C@@H]2CN(Cc3ccncc3)CCO2)c1 ZINC000862535979 596341938 /nfs/dbraw/zinc/34/19/38/596341938.db2.gz BKFSKJIZHVZXFV-GOSISDBHSA-N 0 3 343.427 1.786 20 10 EDCDHN CCOc1cccc(CN2CCC[C@@H](CS(=O)(=O)NC)C2)c1O ZINC000862552027 596344686 /nfs/dbraw/zinc/34/46/86/596344686.db2.gz RKGZTCCQQWIXGK-CYBMUJFWSA-N 0 3 342.461 1.552 20 10 EDCDHN COc1cc(C)cc(CN2CCC(n3cc(C(N)=O)nn3)CC2)c1O ZINC000863300121 596543955 /nfs/dbraw/zinc/54/39/55/596543955.db2.gz FIRJMAOPOHCNSP-UHFFFAOYSA-N 0 3 345.403 1.237 20 10 EDCDHN NC(=O)c1cn(C2CC[NH+](Cc3cc4c(cc3[O-])CCC4)CC2)nn1 ZINC000863301297 596543993 /nfs/dbraw/zinc/54/39/93/596543993.db2.gz VJJBNHZOVAAEOA-UHFFFAOYSA-N 0 3 341.415 1.408 20 10 EDCDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2COCC[C@H]2O)c1[O-] ZINC000866497473 596893560 /nfs/dbraw/zinc/89/35/60/596893560.db2.gz MNUFBLSMUIZACC-GGZOMVNGSA-N 0 3 346.221 1.964 20 10 EDCDHN CCC[C@H](O)[C@H](CO)NCc1ccc(OC)c(Cn2cccn2)c1 ZINC000873130467 597206726 /nfs/dbraw/zinc/20/67/26/597206726.db2.gz DPJCSBHRKUJOST-IRXDYDNUSA-N 0 3 333.432 1.552 20 10 EDCDHN COCCCn1cc(C(=O)NC[C@H](N)c2ccc(N(C)C)cc2)cn1 ZINC000876507302 597224438 /nfs/dbraw/zinc/22/44/38/597224438.db2.gz ZYMHJYFBCXYHAC-KRWDZBQOSA-N 0 3 345.447 1.415 20 10 EDCDHN COC[C@@]1(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CCCCN1 ZINC000876959869 597397366 /nfs/dbraw/zinc/39/73/66/597397366.db2.gz QGYWFNMJZQJUML-HNAYVOBHSA-N 0 3 347.459 1.549 20 10 EDCDHN C[C@@H]1CN(CCCNC(=O)N2Cc3cccc(O)c3C2)CCCO1 ZINC000875533810 597467130 /nfs/dbraw/zinc/46/71/30/597467130.db2.gz FMBIURPHOQBSMK-CQSZACIVSA-N 0 3 333.432 1.918 20 10 EDCDHN CCO[C@@H]1C[C@@H](NCc2ccc(N3CCC(O)CC3)cc2)[C@@H]1OC ZINC000877351299 597498345 /nfs/dbraw/zinc/49/83/45/597498345.db2.gz KTBRBWVFIRKYTF-QRVBRYPASA-N 0 3 334.460 1.930 20 10 EDCDHN COC(=O)c1cn([C@@H]2CCC[N@H+](Cc3c(C)cccc3[O-])C2)nn1 ZINC000877366310 597502162 /nfs/dbraw/zinc/50/21/62/597502162.db2.gz VFWZFLYYEDXITI-CYBMUJFWSA-N 0 3 330.388 1.916 20 10 EDCDHN COC(=O)c1cn([C@@H]2CCC[N@@H+](Cc3c(C)cccc3[O-])C2)nn1 ZINC000877366310 597502163 /nfs/dbraw/zinc/50/21/63/597502163.db2.gz VFWZFLYYEDXITI-CYBMUJFWSA-N 0 3 330.388 1.916 20 10 EDCDHN Cc1ccc(C[NH2+]C[C@H]2CCCC[C@H]2NS(C)(=O)=O)c([O-])c1 ZINC000877517765 597529297 /nfs/dbraw/zinc/52/92/97/597529297.db2.gz PGWFJJRUCRHXPB-UKRRQHHQSA-N 0 3 326.462 1.898 20 10 EDCDHN COC(=O)[C@@H]1OCC[C@@H]1CNCc1cc(F)c(N(C)C)cc1F ZINC000877722846 597551352 /nfs/dbraw/zinc/55/13/52/597551352.db2.gz MPRRPHKEBQVCJF-MEBBXXQBSA-N 0 3 328.359 1.699 20 10 EDCDHN C[C@@H]([NH2+][C@@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)c1ccccc1[O-] ZINC000879647393 597673850 /nfs/dbraw/zinc/67/38/50/597673850.db2.gz BPMBYEPJLITKPY-FRRDWIJNSA-N 0 3 340.445 1.077 20 10 EDCDHN CCN1CCC[C@@H]1CNC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000073821997 441358755 /nfs/dbraw/zinc/35/87/55/441358755.db2.gz PLIWYCYARADIBP-GOSISDBHSA-N 0 3 346.475 1.807 20 10 EDCDHN CC[C@H](C)[N@H+](C)CCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000066124519 441505963 /nfs/dbraw/zinc/50/59/63/441505963.db2.gz XISNWXZLLUFVQE-NSHDSACASA-N 0 3 343.449 1.224 20 10 EDCDHN CC[C@H](C)[N@@H+](C)CCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000066124519 441505965 /nfs/dbraw/zinc/50/59/65/441505965.db2.gz XISNWXZLLUFVQE-NSHDSACASA-N 0 3 343.449 1.224 20 10 EDCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@@H]2CN2CCOCC2)cc1OC ZINC000160300972 441870848 /nfs/dbraw/zinc/87/08/48/441870848.db2.gz MCEOFZOMQVDKTF-OAHLLOKOSA-N 0 3 336.432 1.706 20 10 EDCDHN COc1cc([O-])c(C[N@H+]2CCC[C@@H]2CN2CCOCC2)cc1OC ZINC000160300972 441870850 /nfs/dbraw/zinc/87/08/50/441870850.db2.gz MCEOFZOMQVDKTF-OAHLLOKOSA-N 0 3 336.432 1.706 20 10 EDCDHN COc1cc(O)c(CN2CCC[C@@H]2CN2CCOCC2)cc1OC ZINC000160300972 441870854 /nfs/dbraw/zinc/87/08/54/441870854.db2.gz MCEOFZOMQVDKTF-OAHLLOKOSA-N 0 3 336.432 1.706 20 10 EDCDHN CN(C)C[C@](C)(O)CNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000178971181 442541760 /nfs/dbraw/zinc/54/17/60/442541760.db2.gz CMZBHSKHBLTDCU-GOSISDBHSA-N 0 3 334.464 1.399 20 10 EDCDHN COc1ccc(O)c([C@@H](C)N[C@H]2CCCN(c3ccn(C)n3)C2=O)c1 ZINC000182466371 442772251 /nfs/dbraw/zinc/77/22/51/442772251.db2.gz ZSKDFRKBUBLMOL-DOMZBBRYSA-N 0 3 344.415 1.981 20 10 EDCDHN CCN1CCN(c2ccc(CNC(=O)[C@H](N)C(C)C)cc2F)CC1 ZINC000269308771 443276624 /nfs/dbraw/zinc/27/66/24/443276624.db2.gz VNXMZUMWDWUEKE-QGZVFWFLSA-N 0 3 336.455 1.567 20 10 EDCDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CC(=O)N(CCN3CCOCC3)C2)c([O-])c1 ZINC000186064024 443305344 /nfs/dbraw/zinc/30/53/44/443305344.db2.gz RIPFZFTZAMUXCN-CVEARBPZSA-N 0 3 347.459 1.284 20 10 EDCDHN CCN(CC)c1ccc(CN2CCC3(CC2)NC(=O)NC3=O)cc1 ZINC000272839519 443462617 /nfs/dbraw/zinc/46/26/17/443462617.db2.gz RBUZQKRKHFXHHF-UHFFFAOYSA-N 0 3 330.432 1.707 20 10 EDCDHN CCN(CC)c1ccc(C[NH+]2CCC3(CC2)NC(=O)[N-]C3=O)cc1 ZINC000272839519 443462619 /nfs/dbraw/zinc/46/26/19/443462619.db2.gz RBUZQKRKHFXHHF-UHFFFAOYSA-N 0 3 330.432 1.707 20 10 EDCDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](CS(N)(=O)=O)C2)c1[O-] ZINC000271763526 443513087 /nfs/dbraw/zinc/51/30/87/443513087.db2.gz ZIVCFRRUDSQNBG-NSHDSACASA-N 0 3 332.853 1.855 20 10 EDCDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](CS(N)(=O)=O)C2)c1[O-] ZINC000271763526 443513091 /nfs/dbraw/zinc/51/30/91/443513091.db2.gz ZIVCFRRUDSQNBG-NSHDSACASA-N 0 3 332.853 1.855 20 10 EDCDHN Cn1nccc1[C@@H]1OCC[C@H]1C[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000275420676 443627351 /nfs/dbraw/zinc/62/73/51/443627351.db2.gz DPPAAPOKDMYQJC-APPDUMDISA-N 0 3 331.372 1.722 20 10 EDCDHN CCN(CC)c1ccc(CNC(=O)C(=O)NC2CCN(C)CC2)cc1 ZINC000284759397 443787759 /nfs/dbraw/zinc/78/77/59/443787759.db2.gz IOCHKXSLADHAHG-UHFFFAOYSA-N 0 3 346.475 1.359 20 10 EDCDHN Cc1cccc(C[NH2+][C@@H]2CCC(=O)N(C)[C@H]2c2ccnn2C)c1[O-] ZINC000284805445 443789226 /nfs/dbraw/zinc/78/92/26/443789226.db2.gz KFRXNEVPGAZYQW-RHSMWYFYSA-N 0 3 328.416 1.886 20 10 EDCDHN CN(C)c1ccc(CNC(=O)CN[C@]2(C)CCO[C@@H]2C2CC2)cc1 ZINC000298949565 443910846 /nfs/dbraw/zinc/91/08/46/443910846.db2.gz OMHMGSALZYIJRS-RTBURBONSA-N 0 3 331.460 1.916 20 10 EDCDHN COc1ccc(C[NH2+]C2CCN(CCN3CCOCC3)CC2)c([O-])c1 ZINC000370032610 446177848 /nfs/dbraw/zinc/17/78/48/446177848.db2.gz VRLMPHVFFSFHSF-UHFFFAOYSA-N 0 3 349.475 1.287 20 10 EDCDHN [O-]c1cc2c(cc1C[NH2+][C@@H]([C@@H]1CCCO1)C1(CO)CCC1)OCO2 ZINC000368225538 446721100 /nfs/dbraw/zinc/72/11/00/446721100.db2.gz IFFYOOXFTYKNSH-YOEHRIQHSA-N 0 3 335.400 1.921 20 10 EDCDHN COC1CCN(CCNC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000751075107 579793764 /nfs/dbraw/zinc/79/37/64/579793764.db2.gz OQASRKGTCHQMSJ-UHFFFAOYSA-N 0 3 334.464 1.663 20 10 EDCDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC(C)(C)N2CCN(C)CC2)c1 ZINC000756399510 579949314 /nfs/dbraw/zinc/94/93/14/579949314.db2.gz QIYKXLAMBSKSNL-AWEZNQCLSA-N 0 3 349.475 1.855 20 10 EDCDHN C[C@@H](NCC(=O)N1CCN(C)CC1)c1cc2c(cc1O)CCCC2 ZINC000756491384 579950982 /nfs/dbraw/zinc/95/09/82/579950982.db2.gz VGUUKZRYOWMIRK-CQSZACIVSA-N 0 3 331.460 1.696 20 10 EDCDHN CNC(=O)[C@H]1CCC[C@@H]1NCc1ccc(N2CCOCC2)c(F)c1 ZINC000765796076 580151505 /nfs/dbraw/zinc/15/15/05/580151505.db2.gz MMBMMZJGTXIFBO-HOCLYGCPSA-N 0 3 335.423 1.667 20 10 EDCDHN Oc1cc2c(cc1CN1CCCN(CC(F)F)CC1)[C@H](O)CO2 ZINC000768464876 580213986 /nfs/dbraw/zinc/21/39/86/580213986.db2.gz FNAHQVPTTJLSDD-CQSZACIVSA-N 0 3 328.359 1.591 20 10 EDCDHN CCNS(=O)(=O)CCNC1CCN(c2ccc(OC)cc2)CC1 ZINC000772978553 580324626 /nfs/dbraw/zinc/32/46/26/580324626.db2.gz NZXFUJZHTTUDGD-UHFFFAOYSA-N 0 3 341.477 1.193 20 10 EDCDHN COc1ccc(O)c([C@H](C)N[C@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)c1 ZINC000775372461 580389446 /nfs/dbraw/zinc/38/94/46/580389446.db2.gz BQSKRRLCZBYRRB-XQQFMLRXSA-N 0 3 349.431 1.164 20 10 EDCDHN COc1ccc(O)c([C@H](C)NCC(=O)Nc2ccccc2C(N)=O)c1 ZINC000775374492 580389580 /nfs/dbraw/zinc/38/95/80/580389580.db2.gz CPAPDLPHPFXWNU-NSHDSACASA-N 0 3 343.383 1.789 20 10 EDCDHN CC[C@@H]([NH2+]CCNS(=O)(=O)Cc1ccon1)c1ccccc1[O-] ZINC000775512978 580392677 /nfs/dbraw/zinc/39/26/77/580392677.db2.gz VDGLTZYCECDFQN-CQSZACIVSA-N 0 3 339.417 1.541 20 10 EDCDHN Cc1cc(Br)cc(C[NH2+]C[C@@H](C)S(C)(=O)=O)c1[O-] ZINC000776252154 580412881 /nfs/dbraw/zinc/41/28/81/580412881.db2.gz JLLIWOQRLCXNHV-SECBINFHSA-N 0 3 336.251 1.986 20 10 EDCDHN CCNC(=O)C[C@H]1CCCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000789521900 580748475 /nfs/dbraw/zinc/74/84/75/580748475.db2.gz UVDJHVKCFOPFSF-CJNGLKHVSA-N 0 3 334.416 1.699 20 10 EDCDHN CCNC(=O)C[C@H]1CCCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000789521900 580748476 /nfs/dbraw/zinc/74/84/76/580748476.db2.gz UVDJHVKCFOPFSF-CJNGLKHVSA-N 0 3 334.416 1.699 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)c2cn(C3CC3)nn2)N(C)C)cc1 ZINC000891246963 591016404 /nfs/dbraw/zinc/01/64/04/591016404.db2.gz RCBKQGOWHKAYJC-KRWDZBQOSA-N 0 3 342.447 1.712 20 10 EDCDHN Cc1nonc1CC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891248476 591017030 /nfs/dbraw/zinc/01/70/30/591017030.db2.gz NDANCZYEJOFTRD-MRXNPFEDSA-N 0 3 331.420 1.406 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)CN2CCCCC2=O)N(C)C)cc1 ZINC000891252124 591019743 /nfs/dbraw/zinc/01/97/43/591019743.db2.gz GNFKDJQNWBWUAM-KRWDZBQOSA-N 0 3 346.475 1.484 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)c2n[nH]c3c2CCC3)N(C)C)cc1 ZINC000891251683 591020500 /nfs/dbraw/zinc/02/05/00/591020500.db2.gz DWLXILSSDZKCFC-KRWDZBQOSA-N 0 3 341.459 1.997 20 10 EDCDHN C[C@H](NCc1ccc(N2CCOCC2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000892668574 591120041 /nfs/dbraw/zinc/12/00/41/591120041.db2.gz NSMQOTPLRLTZIP-HOCLYGCPSA-N 0 3 338.473 1.436 20 10 EDCDHN COC(=O)c1c(CNCCC(=O)N(C)C)c2cc(F)ccc2n1C ZINC000894212157 591232758 /nfs/dbraw/zinc/23/27/58/591232758.db2.gz WWLIOTLMPNICKP-UHFFFAOYSA-N 0 3 335.379 1.672 20 10 EDCDHN COc1ccc(N2CC[C@H](NC(=O)NCCN3CC[C@H](C)C3)C2)cc1 ZINC000895651089 591238234 /nfs/dbraw/zinc/23/82/34/591238234.db2.gz SXXPYSMLBJMQJS-HOTGVXAUSA-N 0 3 346.475 1.915 20 10 EDCDHN CCOCc1cc(CN[C@H]2C(=O)NCC23CCOCC3)ccc1OC ZINC000895773785 591271379 /nfs/dbraw/zinc/27/13/79/591271379.db2.gz SVHOHEGTQIYODK-KRWDZBQOSA-N 0 3 348.443 1.617 20 10 EDCDHN COC[C@H](O)CCNCc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000894369424 591292502 /nfs/dbraw/zinc/29/25/02/591292502.db2.gz UUWRFENWGQWJPV-GFCCVEGCSA-N 0 3 338.379 1.591 20 10 EDCDHN CN1CCCc2cc(CNC(=O)C3CN(C4CCOCC4)C3)ccc21 ZINC000895981686 591317350 /nfs/dbraw/zinc/31/73/50/591317350.db2.gz XQGREETWBJOCNL-UHFFFAOYSA-N 0 3 343.471 1.796 20 10 EDCDHN COC(=O)c1c(CNCC[C@@H]2CNC(=O)C2)c2cc(F)ccc2n1C ZINC000896896914 591661573 /nfs/dbraw/zinc/66/15/73/591661573.db2.gz PBJJVQCQSAWFSF-NSHDSACASA-N 0 3 347.390 1.720 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)N[C@H]2C[C@H](O)C2(C)C)N(C)C)cc1 ZINC000899104202 591684277 /nfs/dbraw/zinc/68/42/77/591684277.db2.gz QTCVIWBGOOQHSZ-ULQDDVLXSA-N 0 3 348.491 1.814 20 10 EDCDHN C[C@@H]1CN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CC[C@H]1O ZINC000899100902 591690152 /nfs/dbraw/zinc/69/01/52/591690152.db2.gz CPVUXHSSKMBQRR-ZTFGCOKTSA-N 0 3 348.491 1.768 20 10 EDCDHN CN(C)c1ccc([C@@H](CN2C(=O)N[C@@H](CCF)C2=O)N(C)C)cc1 ZINC000900185822 591933270 /nfs/dbraw/zinc/93/32/70/591933270.db2.gz SFJLXOFAEFCANF-LSDHHAIUSA-N 0 3 336.411 1.635 20 10 EDCDHN Cc1nnc([C@]23COC[C@H]2C[N@H+](Cc2cc4c(cc2[O-])CCC4)C3)o1 ZINC000902574985 592017881 /nfs/dbraw/zinc/01/78/81/592017881.db2.gz RJCYRSMXXOWVKC-VQIMIIECSA-N 0 3 341.411 1.972 20 10 EDCDHN Cc1nnc([C@]23COC[C@H]2C[N@@H+](Cc2cc4c(cc2[O-])CCC4)C3)o1 ZINC000902574985 592017884 /nfs/dbraw/zinc/01/78/84/592017884.db2.gz RJCYRSMXXOWVKC-VQIMIIECSA-N 0 3 341.411 1.972 20 10 EDCDHN Fc1cc(CN[C@@H]2CCO[C@@]23CCOC3)ccc1N1CCOCC1 ZINC000903072521 592119783 /nfs/dbraw/zinc/11/97/83/592119783.db2.gz KGGZERPLGCEEGH-QZTJIDSGSA-N 0 3 336.407 1.700 20 10 EDCDHN COc1ccc(O)c([C@@H](C)NC[C@]2(OC)CCS(=O)(=O)C2)c1 ZINC000903364974 592159543 /nfs/dbraw/zinc/15/95/43/592159543.db2.gz GCGXISXBEKBXQS-IAQYHMDHSA-N 0 3 329.418 1.255 20 10 EDCDHN CN(C)c1ccc(/C=C/CNCC[C@@H]2CNCCS2(=O)=O)cc1 ZINC000903969669 592395349 /nfs/dbraw/zinc/39/53/49/592395349.db2.gz IREBBUYNBQVWKE-REMYHPOOSA-N 0 3 337.489 1.132 20 10 EDCDHN C[C@]1([C@H]2CCC[N@H+](Cc3cc4c(cc3[O-])OCO4)C2)COC(=O)N1 ZINC000905708040 592618636 /nfs/dbraw/zinc/61/86/36/592618636.db2.gz MPJWLMNYXUDCSE-YVEFUNNKSA-N 0 3 334.372 1.831 20 10 EDCDHN C[C@]1([C@H]2CCC[N@@H+](Cc3cc4c(cc3[O-])OCO4)C2)COC(=O)N1 ZINC000905708040 592618637 /nfs/dbraw/zinc/61/86/37/592618637.db2.gz MPJWLMNYXUDCSE-YVEFUNNKSA-N 0 3 334.372 1.831 20 10 EDCDHN CCOc1cccc(CC(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)n1 ZINC000911667145 592974221 /nfs/dbraw/zinc/97/42/21/592974221.db2.gz OBLZKMQXORQMTN-QGZVFWFLSA-N 0 3 342.443 1.905 20 10 EDCDHN O=C(NCc1ccc2cccnc2c1[O-])C1C[NH+](C2CCOCC2)C1 ZINC000911261123 592978632 /nfs/dbraw/zinc/97/86/32/592978632.db2.gz AANPXTSNUCHPIV-UHFFFAOYSA-N 0 3 341.411 1.667 20 10 EDCDHN C[C@H](NC(=O)C(=O)N(C)CCN(C)C1CC1)c1ccc(N(C)C)cc1 ZINC000807671781 593189132 /nfs/dbraw/zinc/18/91/32/593189132.db2.gz SSTDFFFLBAKXOD-AWEZNQCLSA-N 0 3 346.475 1.482 20 10 EDCDHN C[C@@H](CNC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)N(C)C1CC1 ZINC000804431202 593414180 /nfs/dbraw/zinc/41/41/80/593414180.db2.gz MCQLGPSVTBJEAB-KBPBESRZSA-N 0 3 346.475 1.529 20 10 EDCDHN COc1cc(Br)cc(C[NH2+]CC2(CC(N)=O)CC2)c1[O-] ZINC000817411505 593603187 /nfs/dbraw/zinc/60/31/87/593603187.db2.gz SORXZOFLHIMUSA-UHFFFAOYSA-N 0 3 343.221 1.909 20 10 EDCDHN C[C@H](NC(=O)C(=O)N(C)C[C@@H]1CCCN1C)c1ccc(N(C)C)cc1 ZINC000817832181 593638646 /nfs/dbraw/zinc/63/86/46/593638646.db2.gz APIGSHZRUPLROK-YOEHRIQHSA-N 0 3 346.475 1.482 20 10 EDCDHN COCCOC[C@H](O)CNCc1ccc(N2CCSCC2)cc1 ZINC000818964556 593730774 /nfs/dbraw/zinc/73/07/74/593730774.db2.gz ZMRYYUPDPFFNMB-QGZVFWFLSA-N 0 3 340.489 1.353 20 10 EDCDHN O[C@H](CNCc1ccc(N2CCOCC2)cc1)c1ccc(F)cn1 ZINC000818972044 593731280 /nfs/dbraw/zinc/73/12/80/593731280.db2.gz CAVMVQBWWYCBBU-GOSISDBHSA-N 0 3 331.391 1.881 20 10 EDCDHN Cc1cc(Br)cc(C[NH2+][C@@H]2CCC(=O)N(C)C2=O)c1[O-] ZINC000822520714 594061556 /nfs/dbraw/zinc/06/15/56/594061556.db2.gz MYRBSTGJAFCELC-LLVKDONJSA-N 0 3 341.205 1.700 20 10 EDCDHN COc1ccc(N2CC[C@@H](CNC(=O)C[C@@H]3CNCCO3)C2)cc1 ZINC000831749092 594699117 /nfs/dbraw/zinc/69/91/17/594699117.db2.gz XXFQIFMBWNVWBP-WMLDXEAASA-N 0 3 333.432 1.016 20 10 EDCDHN CCN(CC)C(=O)CCC(=O)NC[C@H](N)c1ccc(N(C)C)cc1 ZINC000832266328 594739094 /nfs/dbraw/zinc/73/90/94/594739094.db2.gz DTKODXMJVRRCRS-INIZCTEOSA-N 0 3 334.464 1.517 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNC(=O)c2cc(N(C)C)ccn2)cc1 ZINC000832281662 594740081 /nfs/dbraw/zinc/74/00/81/594740081.db2.gz VJHXXIOTQAFUCO-MRXNPFEDSA-N 0 3 327.432 1.643 20 10 EDCDHN C[C@H]1CCCN(C(=O)C(=O)NC[C@H](N)c2ccc(N(C)C)cc2)C1 ZINC000832283948 594740159 /nfs/dbraw/zinc/74/01/59/594740159.db2.gz DMLXDJXTOUCJQJ-BBRMVZONSA-N 0 3 332.448 1.127 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNC(=O)Cc2ccc3c[nH]nc3c2)cc1 ZINC000832283691 594740250 /nfs/dbraw/zinc/74/02/50/594740250.db2.gz ACGSCZKCUPZJSI-QGZVFWFLSA-N 0 3 337.427 1.988 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)CCNC(=O)c2ccco2)cc1 ZINC000832285542 594740306 /nfs/dbraw/zinc/74/03/06/594740306.db2.gz ROFOCGXHWGGDSA-HNNXBMFYSA-N 0 3 344.415 1.282 20 10 EDCDHN C[C@H](NC[C@@H]1CCCNC1=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000840827815 594818761 /nfs/dbraw/zinc/81/87/61/594818761.db2.gz MZSSBWJMOMYZOC-ZFWWWQNUSA-N 0 3 335.423 1.839 20 10 EDCDHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)Nc1ccc(N)cc1 ZINC000841299949 594882687 /nfs/dbraw/zinc/88/26/87/594882687.db2.gz KTJBWTMSGFAGRU-HNNXBMFYSA-N 0 3 333.436 1.333 20 10 EDCDHN CCCC[C@H](CN)NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000842216061 595041714 /nfs/dbraw/zinc/04/17/14/595041714.db2.gz ZKQZEQPWLCGIGE-MRXNPFEDSA-N 0 3 346.475 1.537 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNC(=O)Cc2nc(C3CC3)nn2C)cc1 ZINC000843297385 595066321 /nfs/dbraw/zinc/06/63/21/595066321.db2.gz HPQNELJFVFMXGH-OAHLLOKOSA-N 0 3 342.447 1.117 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)CCNC(=O)C(C)(C)C)cc1 ZINC000843299057 595066910 /nfs/dbraw/zinc/06/69/10/595066910.db2.gz QQUXONKGOAKWOF-HNNXBMFYSA-N 0 3 334.464 1.421 20 10 EDCDHN CC(=O)c1cc(Cl)cc(CN2CC[C@H](N3CC[NH2+]CC3)C2)c1[O-] ZINC000842475060 595114363 /nfs/dbraw/zinc/11/43/63/595114363.db2.gz JUTNXVQDWHMNBT-HNNXBMFYSA-N 0 3 337.851 1.728 20 10 EDCDHN CCS(=O)(=O)N1CCC([NH2+][C@H](C)c2cccc(OC)c2[O-])CC1 ZINC000846138732 595154698 /nfs/dbraw/zinc/15/46/98/595154698.db2.gz NGDVTERNONKKHH-GFCCVEGCSA-N 0 3 342.461 1.866 20 10 EDCDHN COc1cccc([C@H](C)[NH2+]C2CCN(CC(=O)N(C)C)CC2)c1[O-] ZINC000846147133 595156874 /nfs/dbraw/zinc/15/68/74/595156874.db2.gz TYPYPMUQHYSXBA-ZDUSSCGKSA-N 0 3 335.448 1.604 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNS(=O)(=O)CCc2ccccc2)cc1 ZINC000842785757 595197839 /nfs/dbraw/zinc/19/78/39/595197839.db2.gz VYDAIJVHZLLGFC-SFHVURJKSA-N 0 3 347.484 1.915 20 10 EDCDHN CN(C)c1ccc(CN2CCC[C@H](C(=O)N3CCNCC3)C2)cc1F ZINC000843046801 595272852 /nfs/dbraw/zinc/27/28/52/595272852.db2.gz CRPIWCNKHVEXAZ-INIZCTEOSA-N 0 3 348.466 1.536 20 10 EDCDHN O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H]1CNCCC1(F)F ZINC000844171412 595290315 /nfs/dbraw/zinc/29/03/15/595290315.db2.gz SSZSMZVJRYGYSP-HNNXBMFYSA-N 0 3 339.386 1.384 20 10 EDCDHN CCc1cccc(C[NH2+][C@@H]2CCC[C@H]2CNS(C)(=O)=O)c1[O-] ZINC000848909513 595466324 /nfs/dbraw/zinc/46/63/24/595466324.db2.gz VPKOPMLOLBOYNJ-DZGCQCFKSA-N 0 3 326.462 1.762 20 10 EDCDHN CCS(=O)(=O)NCCCNCc1cc(F)c(N(C)C)cc1F ZINC000858117366 595702970 /nfs/dbraw/zinc/70/29/70/595702970.db2.gz LMHGHCTUARDDDJ-UHFFFAOYSA-N 0 3 335.420 1.450 20 10 EDCDHN CN(C)c1cc(F)c(CN[C@@H]2CCCN(CCCO)C2)cc1F ZINC000858169616 595718320 /nfs/dbraw/zinc/71/83/20/595718320.db2.gz AKZOAVGRUYMYMH-CQSZACIVSA-N 0 3 327.419 1.967 20 10 EDCDHN COc1cccc([O-])c1C[NH2+]C[C@]1(CO)COCC2(CCC2)N1C ZINC000858223070 595735259 /nfs/dbraw/zinc/73/52/59/595735259.db2.gz WTHZSLGESONLOQ-SFHVURJKSA-N 0 3 336.432 1.106 20 10 EDCDHN COC(=O)N(C)CCNCc1ccc(N2CCOCC2)c(F)c1 ZINC000850390424 595825843 /nfs/dbraw/zinc/82/58/43/595825843.db2.gz ZBDBBHZXGVTSJR-UHFFFAOYSA-N 0 3 325.384 1.450 20 10 EDCDHN CN(C)CCCS(=O)(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000866559408 596252067 /nfs/dbraw/zinc/25/20/67/596252067.db2.gz HEBJLGJEBSIGFP-UHFFFAOYSA-N 0 3 339.505 1.999 20 10 EDCDHN CN(Cc1ccc(N2CCN(C)CC2)cc1)[C@@H]1CCC(=O)N(C)C1 ZINC000862428659 596327597 /nfs/dbraw/zinc/32/75/97/596327597.db2.gz UJUGPINFMCJCMJ-GOSISDBHSA-N 0 3 330.476 1.491 20 10 EDCDHN CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1Cc2cccc(O)c2C1 ZINC000871207160 596498522 /nfs/dbraw/zinc/49/85/22/596498522.db2.gz KMAWTJRMJQFVON-AWEZNQCLSA-N 0 3 349.431 1.689 20 10 EDCDHN C[C@@](O)(C[C@H](O)CNCc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000872200089 596831992 /nfs/dbraw/zinc/83/19/92/596831992.db2.gz SXLWZWPAJZKZDF-RBUKOAKNSA-N 0 3 334.460 1.525 20 10 EDCDHN CN(C)c1ccc(CNC[C@H](O)CC2(O)CCOCC2)cc1F ZINC000872200046 596832363 /nfs/dbraw/zinc/83/23/63/596832363.db2.gz VFYUFADVEKQULO-CQSZACIVSA-N 0 3 326.412 1.274 20 10 EDCDHN O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CCN(Cc2c([O-])cccc2Cl)C1 ZINC000872254969 596855682 /nfs/dbraw/zinc/85/56/82/596855682.db2.gz HEEUSICSAUYDOF-YVLXSGLVSA-N 0 3 337.807 1.413 20 10 EDCDHN CCNC(=O)C(C)(C)NCc1ccc(OC)c(Cn2cccn2)c1 ZINC000873131506 597206552 /nfs/dbraw/zinc/20/65/52/597206552.db2.gz TYWQITZFVJAHAV-UHFFFAOYSA-N 0 3 330.432 1.944 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)CCc2cnc(N)s2)cc1 ZINC000876507170 597224347 /nfs/dbraw/zinc/22/43/47/597224347.db2.gz XFEMRSRNTFPNJX-AWEZNQCLSA-N 0 3 333.461 1.540 20 10 EDCDHN Cc1cc(N(C)C)ccc1CNCc1ccc(S(N)(=O)=O)cc1 ZINC000877030358 597416488 /nfs/dbraw/zinc/41/64/88/597416488.db2.gz CCFBFGZBAYNCRW-UHFFFAOYSA-N 0 3 333.457 1.998 20 10 EDCDHN COc1ccc(O)c(CNS(=O)(=O)C[C@@]23CCN(C2)CCC3)c1 ZINC000914163299 695176345 /nfs/dbraw/zinc/17/63/45/695176345.db2.gz XQPNOSQTUCZLGR-INIZCTEOSA-N 0 3 340.445 1.306 20 10 EDCDHN C[C@@H]1[C@@H](NC(=O)NCc2ccc(N3CCOCC3)cc2)CCN1C ZINC000914336499 695368930 /nfs/dbraw/zinc/36/89/30/695368930.db2.gz ZMKBWMQVHIAQAZ-PBHICJAKSA-N 0 3 332.448 1.415 20 10 EDCDHN CCN1CCC[C@H](NCc2ccc(N3CCOCC3)c(F)c2)C1=O ZINC000922639149 704169037 /nfs/dbraw/zinc/16/90/37/704169037.db2.gz IWPUGRRVASYKDW-INIZCTEOSA-N 0 3 335.423 1.763 20 10 EDCDHN O=C(NCc1ccc(N2CCNCC2)c(F)c1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000131372450 237220632 /nfs/dbraw/zinc/22/06/32/237220632.db2.gz QPFPGDYJFUKDTO-CPUCHLNUSA-N 0 3 333.407 1.419 20 10 EDCDHN Cc1cc([O-])c(C[NH2+]C[C@H]2CCC[C@]23NC(=O)N(C)C3=O)cc1C ZINC000371083679 250210894 /nfs/dbraw/zinc/21/08/94/250210894.db2.gz DDNYYJLYGIYHMF-KDOFPFPSSA-N 0 3 331.416 1.819 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@H](C3CC3)C1)cc2=O ZINC000372856105 250227775 /nfs/dbraw/zinc/22/77/75/250227775.db2.gz HQYBWUNWJRRIRG-LBPRGKRZSA-N 0 3 330.388 1.844 20 10 EDCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCC(=O)N[C@@H]2[C@@H]2CCCO2)c1 ZINC000377746441 295168559 /nfs/dbraw/zinc/16/85/59/295168559.db2.gz OUHCUCBSQXICKQ-WBBBXAHXSA-N 0 3 334.416 1.878 20 10 EDCDHN COc1ccc(O)c([C@@H](C)N[C@H]2CCCN(c3cnn(C)c3)C2=O)c1 ZINC000182466203 442771422 /nfs/dbraw/zinc/77/14/22/442771422.db2.gz JZQVQWRVKISSOE-WBMJQRKESA-N 0 3 344.415 1.981 20 10 EDCDHN CC(C)N1CCCN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000283370198 443615166 /nfs/dbraw/zinc/61/51/66/443615166.db2.gz FXXIYYIRXXUNBA-UHFFFAOYSA-N 0 3 346.475 1.312 20 10 EDCDHN CCC[C@@]1(CO)CCCN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000298351148 443751953 /nfs/dbraw/zinc/75/19/53/443751953.db2.gz BWOQVUHIIZPARQ-IBGZPJMESA-N 0 3 333.476 1.996 20 10 EDCDHN COCCN(C)CCCNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000298705130 443844966 /nfs/dbraw/zinc/84/49/66/443844966.db2.gz UKNAZIKJRZGWRU-UHFFFAOYSA-N 0 3 336.480 1.862 20 10 EDCDHN CC(C)[C@@H](CNC(=O)NCc1ccccc1O)N1CCN(C)CC1 ZINC000299478426 444058097 /nfs/dbraw/zinc/05/80/97/444058097.db2.gz GIFXGMPWLHOOHU-MRXNPFEDSA-N 0 3 334.464 1.463 20 10 EDCDHN CCOc1ccc(O)c(CN2CC[C@]3(C2)NC(=O)N(C(C)C)C3=O)c1 ZINC000362797844 445555022 /nfs/dbraw/zinc/55/50/22/445555022.db2.gz QKSDZQHYTYQTRA-GOSISDBHSA-N 0 3 347.415 1.696 20 10 EDCDHN Cn1cc([C@@H]2NC(=O)CC[C@H]2NCc2ccc3c(c2)CCN3C)cn1 ZINC000364671546 445943824 /nfs/dbraw/zinc/94/38/24/445943824.db2.gz HWLLSSBAUKKNNJ-APWZRJJASA-N 0 3 339.443 1.522 20 10 EDCDHN COc1ccc([O-])c(C[NH2+][C@H]2CCN(c3ccccc3C(N)=O)C2)c1 ZINC000362042002 446173781 /nfs/dbraw/zinc/17/37/81/446173781.db2.gz SRZVTLFYEGTLNL-AWEZNQCLSA-N 0 3 341.411 1.868 20 10 EDCDHN CN(C)c1ccc(CN2CCC(O)(CN3CCOCC3)CC2)cc1 ZINC000365873885 446382489 /nfs/dbraw/zinc/38/24/89/446382489.db2.gz MIKPBQKYQYQRCH-UHFFFAOYSA-N 0 3 333.476 1.412 20 10 EDCDHN COc1ccc([O-])c(C[NH2+]C[C@@]2(N3CCOCC3)CCCOC2)c1 ZINC000368593009 446966291 /nfs/dbraw/zinc/96/62/91/446966291.db2.gz OXQNLUKDHVXQNB-SFHVURJKSA-N 0 3 336.432 1.372 20 10 EDCDHN CN(C)CCNC(=S)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000730597149 578652992 /nfs/dbraw/zinc/65/29/92/578652992.db2.gz XKSPDEWMQKIYOI-UHFFFAOYSA-N 0 3 336.505 1.391 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CNC1(CO)CCCC1)cc2=O ZINC000749446841 579726954 /nfs/dbraw/zinc/72/69/54/579726954.db2.gz BKKHSYGYLRVRNS-UHFFFAOYSA-N 0 3 334.376 1.006 20 10 EDCDHN COc1ccc(N2CCN(C[C@H](O)CN3CC=C(C)CC3)CC2)cc1 ZINC000754075881 579895743 /nfs/dbraw/zinc/89/57/43/579895743.db2.gz RJKPQJWMAWZNPY-LJQANCHMSA-N 0 3 345.487 1.830 20 10 EDCDHN COC[C@H](NCC(=O)N1CCN(c2ccc(OC)cc2)CC1)C(C)C ZINC000754385722 579902424 /nfs/dbraw/zinc/90/24/24/579902424.db2.gz RULVXDZFEJGFBU-SFHVURJKSA-N 0 3 349.475 1.604 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@H](CC)[C@@H]1CCCO1)cc2=O ZINC000754515354 579904990 /nfs/dbraw/zinc/90/49/90/579904990.db2.gz MGNTZVLXXXHXIQ-KGLIPLIRSA-N 0 3 348.403 1.659 20 10 EDCDHN Cc1ccc([C@@H](C)[NH2+]CCS(=O)(=O)N2CCOCC2)c([O-])c1 ZINC000756689967 579955043 /nfs/dbraw/zinc/95/50/43/579955043.db2.gz WGSLWRZLFKVNGG-CYBMUJFWSA-N 0 3 328.434 1.013 20 10 EDCDHN C[C@H]([NH2+]C[C@@]1(O)CCN(C)C1)c1cc(Br)ccc1[O-] ZINC000762786602 580083163 /nfs/dbraw/zinc/08/31/63/580083163.db2.gz JWVKZIYZGRYIQB-HZMBPMFUSA-N 0 3 329.238 1.872 20 10 EDCDHN C[C@H](N[C@@H]1CCCN(C)C1=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000766436103 580166887 /nfs/dbraw/zinc/16/68/87/580166887.db2.gz GERWNWNIMCLGIG-XJKSGUPXSA-N 0 3 335.423 1.934 20 10 EDCDHN C[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000774483883 580363284 /nfs/dbraw/zinc/36/32/84/580363284.db2.gz MJPKAVVEJOHREN-OFQRWUPVSA-N 0 3 346.475 1.516 20 10 EDCDHN C[C@H](NCCn1ccc([N+](=O)[O-])n1)c1ccc(N2CCOCC2)cc1 ZINC000775255119 580386981 /nfs/dbraw/zinc/38/69/81/580386981.db2.gz OXEFOFPJVYOPAN-AWEZNQCLSA-N 0 3 345.403 1.979 20 10 EDCDHN COc1ccc(O)c([C@@H](C)NCC(=O)N2CCC[C@H](NC(C)=O)C2)c1 ZINC000775373061 580389531 /nfs/dbraw/zinc/38/95/31/580389531.db2.gz LQEIWEPHIHXJGB-OCCSQVGLSA-N 0 3 349.431 1.179 20 10 EDCDHN COc1ccc(O)c([C@@H](C)N[C@@H](C)C(=O)N2CCC(C(N)=O)CC2)c1 ZINC000775375562 580389611 /nfs/dbraw/zinc/38/96/11/580389611.db2.gz NJKBYVPUVYPAAI-NEPJUHHUSA-N 0 3 349.431 1.164 20 10 EDCDHN O=C(/C=C/c1ccc(O)c(O)c1)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000779505159 580487358 /nfs/dbraw/zinc/48/73/58/580487358.db2.gz GIRQLTBQEZORCI-BIENSFFJSA-N 0 3 346.427 1.824 20 10 EDCDHN C[C@@H]([NH2+][C@@H]1CCCN(Cc2nccn2C)C1=O)c1ccccc1[O-] ZINC000783535331 580601044 /nfs/dbraw/zinc/60/10/44/580601044.db2.gz LVQURFXMJJBAGF-UKRRQHHQSA-N 0 3 328.416 1.968 20 10 EDCDHN CC1([C@H]2CCC[N@H+](Cc3cc4c(cc3[O-])OC[C@@H]4O)C2)OCCO1 ZINC000784039689 580612477 /nfs/dbraw/zinc/61/24/77/580612477.db2.gz ZEDOGXJPZGUUIK-BBRMVZONSA-N 0 3 335.400 1.793 20 10 EDCDHN CC1([C@H]2CCC[N@@H+](Cc3cc4c(cc3[O-])OC[C@@H]4O)C2)OCCO1 ZINC000784039689 580612478 /nfs/dbraw/zinc/61/24/78/580612478.db2.gz ZEDOGXJPZGUUIK-BBRMVZONSA-N 0 3 335.400 1.793 20 10 EDCDHN CCN(CC)C[C@@H](C)NC(=O)C(=O)NCc1ccc(N(C)C)cc1C ZINC000793789550 580856231 /nfs/dbraw/zinc/85/62/31/580856231.db2.gz AODGBBOUVYGALP-OAHLLOKOSA-N 0 3 348.491 1.524 20 10 EDCDHN COc1ccc(CNC[C@H]2CCCCN2S(C)(=O)=O)cc1C ZINC000796511298 580955371 /nfs/dbraw/zinc/95/53/71/580955371.db2.gz QHSXENBGAUNTTF-OAHLLOKOSA-N 0 3 326.462 1.907 20 10 EDCDHN COc1cccc(CNC[C@H]2CCCCN2S(C)(=O)=O)c1O ZINC000796514006 580955458 /nfs/dbraw/zinc/95/54/58/580955458.db2.gz SRIWLSLFYHGTBT-CYBMUJFWSA-N 0 3 328.434 1.305 20 10 EDCDHN COc1cccc(C[NH2+]C[C@H]2CCCCN2S(C)(=O)=O)c1[O-] ZINC000796514006 580955459 /nfs/dbraw/zinc/95/54/59/580955459.db2.gz SRIWLSLFYHGTBT-CYBMUJFWSA-N 0 3 328.434 1.305 20 10 EDCDHN C[C@H](CCCO)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000893590957 590995026 /nfs/dbraw/zinc/99/50/26/590995026.db2.gz ROLHZHWVITURTF-PBHICJAKSA-N 0 3 336.480 1.816 20 10 EDCDHN Cc1nnc(CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)o1 ZINC000891249524 591018089 /nfs/dbraw/zinc/01/80/89/591018089.db2.gz RIGOMMPMQNEWAY-HNNXBMFYSA-N 0 3 331.420 1.406 20 10 EDCDHN CCOC(=O)NCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891256541 591022644 /nfs/dbraw/zinc/02/26/44/591022644.db2.gz ZKEJLBWRWYNKJN-HNNXBMFYSA-N 0 3 336.436 1.218 20 10 EDCDHN C[C@@H]1CN(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)[C@@H](C)CN1 ZINC000892938801 591231402 /nfs/dbraw/zinc/23/14/02/591231402.db2.gz CSUAEFLSOIEACC-CVEARBPZSA-N 0 3 345.491 1.330 20 10 EDCDHN COc1cc(C)cc(C[NH2+]C2CCN(CC(=O)N(C)C)CC2)c1[O-] ZINC000894228668 591237771 /nfs/dbraw/zinc/23/77/71/591237771.db2.gz BWUVWJKHNGUEJV-UHFFFAOYSA-N 0 3 335.448 1.351 20 10 EDCDHN COc1cc(C)cc(CNC[C@](C)(O)C(=O)OC(C)(C)C)c1O ZINC000894469385 591320884 /nfs/dbraw/zinc/32/08/84/591320884.db2.gz NEKMPBREQFHGFJ-KRWDZBQOSA-N 0 3 325.405 1.892 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)NCC2(O)CCC2)N(C)C)cc1 ZINC000899103319 591683773 /nfs/dbraw/zinc/68/37/73/591683773.db2.gz YZZNLKIJUNPJKP-INIZCTEOSA-N 0 3 334.464 1.570 20 10 EDCDHN COc1cc([O-])c(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3(=O)=O)cc1OC ZINC000896956307 591694674 /nfs/dbraw/zinc/69/46/74/591694674.db2.gz UIKNCHCWDURGJP-YHWZYXNKSA-N 0 3 341.429 1.607 20 10 EDCDHN CN(C)c1ccc(CN(C)C(=O)C2CN(C3CCOCC3)C2)cc1 ZINC000895485030 591778606 /nfs/dbraw/zinc/77/86/06/591778606.db2.gz HDCZEVYAAIIDQI-UHFFFAOYSA-N 0 3 331.460 1.822 20 10 EDCDHN CCOC(=O)N1C[C@@H](CO)[C@@H](NCc2ccc(N(C)C)c(F)c2)C1 ZINC000898359813 591871807 /nfs/dbraw/zinc/87/18/07/591871807.db2.gz UPDSHVWLULTQDB-ZFWWWQNUSA-N 0 3 339.411 1.431 20 10 EDCDHN CO[C@@]1(C[NH2+][C@@H](C)c2c(C)cc(C)cc2[O-])CCS(=O)(=O)C1 ZINC000903363063 592158962 /nfs/dbraw/zinc/15/89/62/592158962.db2.gz LTXKYHQXGNPZHM-XJKSGUPXSA-N 0 3 327.446 1.863 20 10 EDCDHN CC[C@@H]([NH2+]C[C@]1(OC)CCS(=O)(=O)C1)c1ccc(C)cc1[O-] ZINC000903363389 592159029 /nfs/dbraw/zinc/15/90/29/592159029.db2.gz NTMPYPYDCUGYJV-GDBMZVCRSA-N 0 3 327.446 1.945 20 10 EDCDHN C[C@@](O)(CNCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)C(F)F ZINC000905060607 592396814 /nfs/dbraw/zinc/39/68/14/592396814.db2.gz WBFZCGKIBYLLSM-SUMWQHHRSA-N 0 3 341.402 1.494 20 10 EDCDHN Cc1ncc2n1C[C@H](C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1)CC2 ZINC000911666071 592973508 /nfs/dbraw/zinc/97/35/08/592973508.db2.gz HBOJMCCOBVDHQW-CRAIPNDOSA-N 0 3 341.459 1.636 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@@H](C)C1(OC)CCC1)cc2=O ZINC000839660591 593358844 /nfs/dbraw/zinc/35/88/44/593358844.db2.gz MWJZKIVIBCOTBY-NSHDSACASA-N 0 3 348.403 1.659 20 10 EDCDHN COC1([C@H](C)NCC(=O)NCc2ccc(N(C)C)cc2)CCOCC1 ZINC000817297840 593590710 /nfs/dbraw/zinc/59/07/10/593590710.db2.gz WBCIBFXXWJYMHT-HNNXBMFYSA-N 0 3 349.475 1.543 20 10 EDCDHN Nc1ccc(Cc2nc(C(=O)NC[C@@H]3C[C@H](F)CN3)cs2)cc1 ZINC000818603847 593707232 /nfs/dbraw/zinc/70/72/32/593707232.db2.gz PVQSVYQUBIBNHI-AAEUAGOBSA-N 0 3 334.420 1.746 20 10 EDCDHN CCS(=O)(=O)CCNC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819380367 593752677 /nfs/dbraw/zinc/75/26/77/593752677.db2.gz POBSDNFZIGMDBA-CQSZACIVSA-N 0 3 326.462 1.546 20 10 EDCDHN COC1CCN(c2ccc(CN3CC[C@@H](CO)[C@H](O)C3)cc2)CC1 ZINC000829159075 594575426 /nfs/dbraw/zinc/57/54/26/594575426.db2.gz KLPXWCYHLKSQEA-QFBILLFUSA-N 0 3 334.460 1.477 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@H]1C[C@@H](OC)C1(C)C)cc2=O ZINC000831339839 594611121 /nfs/dbraw/zinc/61/11/21/594611121.db2.gz XNENKICKFCWSJG-QWHCGFSZSA-N 0 3 348.403 1.515 20 10 EDCDHN COCc1nc(C(=O)NC[C@H](N)c2ccc(N(C)C)cc2)cs1 ZINC000832280148 594739924 /nfs/dbraw/zinc/73/99/24/594739924.db2.gz NGCKSHGYWLLYMS-ZDUSSCGKSA-N 0 3 334.445 1.785 20 10 EDCDHN COc1ccc(CC(=O)NC[C@H](N)c2ccc(N(C)C)cc2)nc1 ZINC000832284819 594740364 /nfs/dbraw/zinc/74/03/64/594740364.db2.gz MUTQACCEYZDLOI-KRWDZBQOSA-N 0 3 328.416 1.515 20 10 EDCDHN Cc1cc(CN2CCN([C@H]3CCNC(=O)CC3)CC2)ccc1N(C)C ZINC000832368815 594745566 /nfs/dbraw/zinc/74/55/66/594745566.db2.gz FTZBMMAQCAZOBY-GOSISDBHSA-N 0 3 344.503 1.847 20 10 EDCDHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2ccc(N)cc2)CC1 ZINC000841298162 594882663 /nfs/dbraw/zinc/88/26/63/594882663.db2.gz MWRBBVVAYCSVJB-OAHLLOKOSA-N 0 3 331.420 1.039 20 10 EDCDHN CN(C)c1ccc(CNC(=O)NC[C@@H]2CCCCN2CCO)cc1 ZINC000836223481 594939822 /nfs/dbraw/zinc/93/98/22/594939822.db2.gz BKOLAAOYZNKGFY-KRWDZBQOSA-N 0 3 334.464 1.399 20 10 EDCDHN C[C@H](NC(=O)N1CCN[C@H](C)[C@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000841741958 594946054 /nfs/dbraw/zinc/94/60/54/594946054.db2.gz UIQHXAHYLZOQHB-OWCLPIDISA-N 0 3 346.475 1.976 20 10 EDCDHN O=C(NC[C@@H]1CNCCO1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000842012166 595002201 /nfs/dbraw/zinc/00/22/01/595002201.db2.gz VDHFYHSMQQBJQZ-CVEARBPZSA-N 0 3 349.431 1.071 20 10 EDCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@H](Nc3ncccn3)C1)[C@H](O)CO2 ZINC000842617782 595144045 /nfs/dbraw/zinc/14/40/45/595144045.db2.gz WGUZXSRCLNTAKN-SWLSCSKDSA-N 0 3 328.372 1.294 20 10 EDCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@H](Nc3ncccn3)C1)[C@H](O)CO2 ZINC000842617782 595144049 /nfs/dbraw/zinc/14/40/49/595144049.db2.gz WGUZXSRCLNTAKN-SWLSCSKDSA-N 0 3 328.372 1.294 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)c2cnc3c(cnn3C)c2)cc1 ZINC000844162677 595287822 /nfs/dbraw/zinc/28/78/22/595287822.db2.gz LWWKGJXPMZKSBK-INIZCTEOSA-N 0 3 338.415 1.464 20 10 EDCDHN [NH3+]CCC(=O)NC[C@@H]1CCCCN1Cc1cc(Cl)ccc1[O-] ZINC000843121676 595291983 /nfs/dbraw/zinc/29/19/83/595291983.db2.gz GOWOCMGXICDPHV-AWEZNQCLSA-N 0 3 325.840 1.865 20 10 EDCDHN COc1ccc([O-])c(CNC(=[NH2+])N2CCN(c3ncccn3)CC2)c1 ZINC000849099020 595481423 /nfs/dbraw/zinc/48/14/23/595481423.db2.gz BDLSTCUNBGJMRD-UHFFFAOYSA-N 0 3 342.403 1.037 20 10 EDCDHN Cn1cc([C@H]2CN(C)CC[C@H]2C(=O)NCc2ccc(O)c(O)c2)cn1 ZINC000849562761 595570259 /nfs/dbraw/zinc/57/02/59/595570259.db2.gz HAGGHNOAXPGMOO-HUUCEWRRSA-N 0 3 344.415 1.183 20 10 EDCDHN CO[C@@H](CNCc1ccc(N2CCOCC2)c(F)c1)[C@H]1CCOC1 ZINC000850342911 595813423 /nfs/dbraw/zinc/81/34/23/595813423.db2.gz OKPKVEFUAMXDOB-YJBOKZPZSA-N 0 3 338.423 1.803 20 10 EDCDHN C[C@@H]1CN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@]1(C)CO ZINC000852700024 596229781 /nfs/dbraw/zinc/22/97/81/596229781.db2.gz AWEIYAKUAPJLHT-DNVCBOLYSA-N 0 3 333.476 1.661 20 10 EDCDHN CCOc1ccc(C[NH+]2CCC(n3cc(C(N)=O)nn3)CC2)c([O-])c1 ZINC000862483192 596334364 /nfs/dbraw/zinc/33/43/64/596334364.db2.gz IGEIHUYYZCZTQI-UHFFFAOYSA-N 0 3 345.403 1.318 20 10 EDCDHN CCO[C@H](C(=O)NC[C@H](N)c1ccc(N(C)C)cc1)[C@H]1CCOC1 ZINC000870933586 596411501 /nfs/dbraw/zinc/41/15/01/596411501.db2.gz QMCATLWTXNRPOV-XIRDDKMYSA-N 0 3 335.448 1.310 20 10 EDCDHN Fc1cc(CNC2CN(c3ccncn3)C2)ccc1N1CCOCC1 ZINC000865748801 596669359 /nfs/dbraw/zinc/66/93/59/596669359.db2.gz CZLSLMHZVCFOJQ-UHFFFAOYSA-N 0 3 343.406 1.431 20 10 EDCDHN CN(C)c1ccc(/C=C/CNC[C@@]23COC(=O)N2CCOC3)cc1 ZINC000865770367 596676570 /nfs/dbraw/zinc/67/65/70/596676570.db2.gz KOMDLFHQDKGDDS-OAJJDEHYSA-N 0 3 331.416 1.577 20 10 EDCDHN COCCn1ncc(C(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)c1C ZINC000876506611 597224302 /nfs/dbraw/zinc/22/43/02/597224302.db2.gz MJUMOKZNCMYNLO-QGZVFWFLSA-N 0 3 345.447 1.334 20 10 EDCDHN COc1cccc([C@@H](N)C(=O)NC[C@H](N)c2ccc(N(C)C)cc2)c1 ZINC000876506770 597224511 /nfs/dbraw/zinc/22/45/11/597224511.db2.gz OHRQOJPIJQEVEM-ZWKOTPCHSA-N 0 3 342.443 1.577 20 10 EDCDHN C[C@@H](O)CN1CCN(Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876687855 597288500 /nfs/dbraw/zinc/28/85/00/597288500.db2.gz SIDBIJWXQGHRDQ-MRXNPFEDSA-N 0 3 333.476 1.146 20 10 EDCDHN COC[C@H](NCc1ccc(N2CCC(O)CC2)cc1)[C@H]1CCCO1 ZINC000877489347 597524193 /nfs/dbraw/zinc/52/41/93/597524193.db2.gz MXTOIIDLRUKPOE-RBUKOAKNSA-N 0 3 334.460 1.931 20 10 EDCDHN COC(=O)[C@@H]1OCC[C@@H]1NCc1ccc(OC)c(Cn2cccn2)c1 ZINC000877625693 597542374 /nfs/dbraw/zinc/54/23/74/597542374.db2.gz PYZJVDJVFHRMLO-DOTOQJQBSA-N 0 3 345.399 1.360 20 10 EDCDHN C[C@@H](NC(=O)CN[C@@H](C)c1ccccc1O)C(=O)N1CCCCC1 ZINC000879651936 597674503 /nfs/dbraw/zinc/67/45/03/597674503.db2.gz PYUUMTJAANJUMG-UONOGXRCSA-N 0 3 333.432 1.560 20 10 EDCDHN CCC[C@@H](N)c1cn(CC(=O)NCc2ccc(N(C)C)cc2)nn1 ZINC000881094508 598074621 /nfs/dbraw/zinc/07/46/21/598074621.db2.gz KYGPSKPLPPLZQV-OAHLLOKOSA-N 0 3 330.436 1.460 20 10 EDCDHN CN(C)c1ccc(/C=C/CNC(C)(C)CNS(C)(=O)=O)cc1 ZINC000922636897 704165786 /nfs/dbraw/zinc/16/57/86/704165786.db2.gz LJEYHBYTENSAHF-VOTSOKGWSA-N 0 3 325.478 1.683 20 10 EDCDHN CCN1CCC[C@H](NCc2ccc(N3CCC(O)CC3)cc2)C1=O ZINC000922638746 704168883 /nfs/dbraw/zinc/16/88/83/704168883.db2.gz IXTTTYJPDQYHND-SFHVURJKSA-N 0 3 331.460 1.748 20 10 EDCDHN C[C@@H]1CN(C[C@H]2CN(C)CCO2)CCN1Cc1ccc(N(C)C)cc1 ZINC000372416652 250219999 /nfs/dbraw/zinc/21/99/99/250219999.db2.gz PXPBUXQKAFITBB-YLJYHZDGSA-N 0 3 346.519 1.589 20 10 EDCDHN COc1ccc([O-])c([C@H](C)[N@@H+]2C[C@H](C(N)=O)[C@@H](c3cnn(C)c3)C2)c1 ZINC000377681100 250291047 /nfs/dbraw/zinc/29/10/47/250291047.db2.gz QXUGUUMGRREDPA-XZJROXQQSA-N 0 3 344.415 1.396 20 10 EDCDHN COc1ccc([O-])c([C@H](C)[N@H+]2C[C@H](C(N)=O)[C@@H](c3cnn(C)c3)C2)c1 ZINC000377681100 250291050 /nfs/dbraw/zinc/29/10/50/250291050.db2.gz QXUGUUMGRREDPA-XZJROXQQSA-N 0 3 344.415 1.396 20 10 EDCDHN COc1cc([O-])c(C[N@@H+]2CCCC[C@@H]2[C@@H]2CNC(=O)C2)cc1OC ZINC000373218810 295004106 /nfs/dbraw/zinc/00/41/06/295004106.db2.gz VDRKTGHWDIKESV-GXTWGEPZSA-N 0 3 334.416 1.900 20 10 EDCDHN COc1cc([O-])c(C[N@H+]2CCCC[C@@H]2[C@@H]2CNC(=O)C2)cc1OC ZINC000373218810 295004108 /nfs/dbraw/zinc/00/41/08/295004108.db2.gz VDRKTGHWDIKESV-GXTWGEPZSA-N 0 3 334.416 1.900 20 10 EDCDHN CCN(CCC[NH2+][C@H](C)c1cc(OC)ccc1[O-])S(C)(=O)=O ZINC000194187550 442859896 /nfs/dbraw/zinc/85/98/96/442859896.db2.gz JYHMDOJWMWQUMM-GFCCVEGCSA-N 0 3 330.450 1.723 20 10 EDCDHN CCOC(=O)[C@H](C)[C@H](C)NCC(=O)NCc1ccc(N(C)C)cc1 ZINC000282976690 443485919 /nfs/dbraw/zinc/48/59/19/443485919.db2.gz DCVWCTPTEXTXBU-KGLIPLIRSA-N 0 3 335.448 1.546 20 10 EDCDHN C[C@@H]([NH2+][C@H]1CCCN(c2nccn(C)c2=O)C1)c1ccccc1[O-] ZINC000278882990 443471923 /nfs/dbraw/zinc/47/19/23/443471923.db2.gz CUIIPLXJOPFALO-KGLIPLIRSA-N 0 3 328.416 1.806 20 10 EDCDHN C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000271186226 443494952 /nfs/dbraw/zinc/49/49/52/443494952.db2.gz NGXJVIBWSYGVBQ-OAHLLOKOSA-N 0 3 337.851 1.784 20 10 EDCDHN C[N@H+]1CCC[C@@H]1C(=O)N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000271186226 443494955 /nfs/dbraw/zinc/49/49/55/443494955.db2.gz NGXJVIBWSYGVBQ-OAHLLOKOSA-N 0 3 337.851 1.784 20 10 EDCDHN Cn1cncc1[C@@H]1C[C@H]([NH2+]Cc2cc3c(cc2[O-])OCO3)CCO1 ZINC000275636830 443635620 /nfs/dbraw/zinc/63/56/20/443635620.db2.gz SSOASKDBGHBPBZ-DOMZBBRYSA-N 0 3 331.372 1.864 20 10 EDCDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H](C)CCN2CCN(C)CC2)c1 ZINC000274613142 443608576 /nfs/dbraw/zinc/60/85/76/443608576.db2.gz KOJSKBWHZUCORN-CABCVRRESA-N 0 3 349.475 1.855 20 10 EDCDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H](C)CCN2CCN(C)CC2)c1 ZINC000274613146 443608655 /nfs/dbraw/zinc/60/86/55/443608655.db2.gz KOJSKBWHZUCORN-GJZGRUSLSA-N 0 3 349.475 1.855 20 10 EDCDHN CC[C@@H]([NH2+]CCNS(=O)(=O)NC(C)C)c1ccc(C)cc1[O-] ZINC000280156405 443674836 /nfs/dbraw/zinc/67/48/36/443674836.db2.gz QMENQMNOTFNMBY-CQSZACIVSA-N 0 3 329.466 1.574 20 10 EDCDHN CCN1CCCC[C@@H]1CNC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000283673812 443687836 /nfs/dbraw/zinc/68/78/36/443687836.db2.gz ZBTYCCORXWBSIT-QGZVFWFLSA-N 0 3 346.475 1.359 20 10 EDCDHN Cc1cc([O-])c(C[NH+]2CCC(CNS(C)(=O)=O)CC2)cc1C ZINC000284953328 443795346 /nfs/dbraw/zinc/79/53/46/443795346.db2.gz BLYKWMFIPXCTDT-UHFFFAOYSA-N 0 3 326.462 1.770 20 10 EDCDHN CCCN(Cc1ccccc1O)C(=O)C(=O)NCC1(N(C)C)CCC1 ZINC000287900001 443759304 /nfs/dbraw/zinc/75/93/04/443759304.db2.gz NRFCBNJKJUXYDV-UHFFFAOYSA-N 0 3 347.459 1.731 20 10 EDCDHN COc1cccc(CN[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)c1O ZINC000285377749 443961385 /nfs/dbraw/zinc/96/13/85/443961385.db2.gz CJNXBLCBMSPDQG-CYBMUJFWSA-N 0 3 340.445 1.447 20 10 EDCDHN COc1cccc(C[NH2+][C@@H]2CCCN(S(=O)(=O)C3CC3)C2)c1[O-] ZINC000285377749 443961386 /nfs/dbraw/zinc/96/13/86/443961386.db2.gz CJNXBLCBMSPDQG-CYBMUJFWSA-N 0 3 340.445 1.447 20 10 EDCDHN COc1cccc(CN2CC[C@](O)(c3cn(C(C)C)nn3)C2)c1O ZINC000285555948 444026408 /nfs/dbraw/zinc/02/64/08/444026408.db2.gz RAIIQMNWZABLDT-QGZVFWFLSA-N 0 3 332.404 1.667 20 10 EDCDHN CC[C@@H](CNS(C)(=O)=O)[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000295077347 444165783 /nfs/dbraw/zinc/16/57/83/444165783.db2.gz PXVWFSARXIXYHY-NSHDSACASA-N 0 3 336.841 1.472 20 10 EDCDHN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccnn1CCN(C)C ZINC000296790816 444254117 /nfs/dbraw/zinc/25/41/17/444254117.db2.gz FQTZVYGSGUEMET-GFCCVEGCSA-N 0 3 347.419 1.609 20 10 EDCDHN Cc1cc(O)c(CN2CC[C@@]3(C2)NC(=O)N(C(C)C)C3=O)cc1C ZINC000366538006 446253524 /nfs/dbraw/zinc/25/35/24/446253524.db2.gz VFTSJXCPVODJGC-SFHVURJKSA-N 0 3 331.416 1.914 20 10 EDCDHN C[C@H]1CN(C2CCOCC2)CCN1Cc1cc2c(cc1O)OCO2 ZINC000365829421 446360158 /nfs/dbraw/zinc/36/01/58/446360158.db2.gz ISUPCXWIJWHROF-ZDUSSCGKSA-N 0 3 334.416 1.806 20 10 EDCDHN COc1ccc(O)c(CN2CC[C@@]3(C2)NC(=O)N(C(C)C)C3=O)c1 ZINC000367632871 446568936 /nfs/dbraw/zinc/56/89/36/446568936.db2.gz LPPGCMDRNNMNNW-KRWDZBQOSA-N 0 3 333.388 1.306 20 10 EDCDHN CC[C@H](c1ccccc1O)N1CCO[C@@H](CN2CCN(C)CC2)C1 ZINC000368811699 447125548 /nfs/dbraw/zinc/12/55/48/447125548.db2.gz YZRDKTDUJQETDU-FUHWJXTLSA-N 0 3 333.476 1.792 20 10 EDCDHN Cn1ccnc1[C@]([O-])(C[NH2+]Cc1ccc2c(c1)CCO2)C(F)(F)F ZINC000299311544 527473951 /nfs/dbraw/zinc/47/39/51/527473951.db2.gz DWECVHMSRVCJDN-OAHLLOKOSA-N 0 3 341.333 1.895 20 10 EDCDHN CCN(CC(=O)N1CCN(c2ccc(OC)cc2)CC1)CC(C)(C)O ZINC000733896592 578789153 /nfs/dbraw/zinc/78/91/53/578789153.db2.gz KUMRNCJHNYZCOC-UHFFFAOYSA-N 0 3 349.475 1.437 20 10 EDCDHN CNS(=O)(=O)CCCN(Cc1ccc(N(C)C)cc1)C(C)C ZINC000734847128 578840078 /nfs/dbraw/zinc/84/00/78/578840078.db2.gz DEUUEIDSROFDIL-UHFFFAOYSA-N 0 3 327.494 1.902 20 10 EDCDHN CNC(=O)[C@@H]1CCC[C@@H]1NCc1ccc(N2CCOCC2)c(F)c1 ZINC000765796077 580151482 /nfs/dbraw/zinc/15/14/82/580151482.db2.gz MMBMMZJGTXIFBO-ZBFHGGJFSA-N 0 3 335.423 1.667 20 10 EDCDHN CC(C)(C)OC(=O)[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768463339 580213882 /nfs/dbraw/zinc/21/38/82/580213882.db2.gz HHTNPWQEWZVJKF-ABAIWWIYSA-N 0 3 335.400 1.982 20 10 EDCDHN CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768463339 580213883 /nfs/dbraw/zinc/21/38/83/580213883.db2.gz HHTNPWQEWZVJKF-ABAIWWIYSA-N 0 3 335.400 1.982 20 10 EDCDHN CCOC(=O)[C@](C)(O)CN[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000771769603 580293310 /nfs/dbraw/zinc/29/33/10/580293310.db2.gz WUOWRRYXRDUPGL-RDTXWAMCSA-N 0 3 336.432 1.488 20 10 EDCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H](O)COC2CCOCC2)c1 ZINC000775369862 580389486 /nfs/dbraw/zinc/38/94/86/580389486.db2.gz ALETUAPFHYKROT-STQMWFEESA-N 0 3 325.405 1.608 20 10 EDCDHN C[C@@H](NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)c1ccc(N(C)C)cc1 ZINC000775403397 580390183 /nfs/dbraw/zinc/39/01/83/580390183.db2.gz HXVSEZLVXXFQKD-GDBMZVCRSA-N 0 3 346.475 1.340 20 10 EDCDHN CN1CCN(c2ccc(CN3CCC[C@H](OCCO)C3)cc2)CC1 ZINC000775687880 580397295 /nfs/dbraw/zinc/39/72/95/580397295.db2.gz JVGWDOCRGOUQGU-IBGZPJMESA-N 0 3 333.476 1.412 20 10 EDCDHN CN1CCN(c2ccc(CN3CC[C@@](O)(C(F)(F)F)C3)cc2)CC1 ZINC000775714987 580398257 /nfs/dbraw/zinc/39/82/57/580398257.db2.gz ACRYTKXGTJGCDE-INIZCTEOSA-N 0 3 343.393 1.938 20 10 EDCDHN CCOc1ccc([O-])c(C[NH2+][C@@H]2CCOC[C@H]2OCCOC)c1 ZINC000776812809 580429431 /nfs/dbraw/zinc/42/94/31/580429431.db2.gz NFJMRHLIWJMOAR-NVXWUHKLSA-N 0 3 325.405 1.701 20 10 EDCDHN COC[C@@H](CN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)OC ZINC000781429150 580549377 /nfs/dbraw/zinc/54/93/77/580549377.db2.gz YHMPVOSBXWXXEK-DZGCQCFKSA-N 0 3 326.412 1.974 20 10 EDCDHN Cc1cc(Br)c([O-])c(C[NH2+]C[C@@](C)(O)CN(C)C)c1 ZINC000781635334 580553553 /nfs/dbraw/zinc/55/35/53/580553553.db2.gz GCSXJOLHWATCRR-CQSZACIVSA-N 0 3 331.254 1.865 20 10 EDCDHN CN1CCN(c2ccc(CN3CCN(CCO)C(C)(C)C3)cc2)CC1 ZINC000783714514 580604574 /nfs/dbraw/zinc/60/45/74/580604574.db2.gz QXQCYSKIIGJRCH-UHFFFAOYSA-N 0 3 346.519 1.327 20 10 EDCDHN COC(=O)[C@]12C[N@H+](Cc3cc(OC)c(C)cc3[O-])C[C@H]1COCC2 ZINC000794677434 580902513 /nfs/dbraw/zinc/90/25/13/580902513.db2.gz FUMXBAXHKLXCTR-KBXCAEBGSA-N 0 3 335.400 1.721 20 10 EDCDHN COC(=O)[C@]12C[N@@H+](Cc3cc(OC)c(C)cc3[O-])C[C@H]1COCC2 ZINC000794677434 580902514 /nfs/dbraw/zinc/90/25/14/580902514.db2.gz FUMXBAXHKLXCTR-KBXCAEBGSA-N 0 3 335.400 1.721 20 10 EDCDHN CN1CCN(c2ccc(CN3CCOC[C@@]34CCOC4)cc2)CC1 ZINC000799738047 581035733 /nfs/dbraw/zinc/03/57/33/581035733.db2.gz RZCZVBFSTOMRAR-IBGZPJMESA-N 0 3 331.460 1.430 20 10 EDCDHN Cc1nnc(CCC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)o1 ZINC000891245759 591014704 /nfs/dbraw/zinc/01/47/04/591014704.db2.gz ITGQSZVEXATFTI-INIZCTEOSA-N 0 3 345.447 1.796 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)CCc2cn(C)nn2)N(C)C)cc1 ZINC000891245291 591014802 /nfs/dbraw/zinc/01/48/02/591014802.db2.gz CBXQBJHJWQNYKG-KRWDZBQOSA-N 0 3 344.463 1.233 20 10 EDCDHN CCn1ccc(CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)n1 ZINC000891247314 591016824 /nfs/dbraw/zinc/01/68/24/591016824.db2.gz UAYMNUBJYGCGAX-SFHVURJKSA-N 0 3 343.475 1.931 20 10 EDCDHN CCn1cc(CC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cn1 ZINC000891249577 591018130 /nfs/dbraw/zinc/01/81/30/591018130.db2.gz UUJMAUKXWTZSFO-GOSISDBHSA-N 0 3 343.475 1.931 20 10 EDCDHN CCn1nnc(C)c1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891250529 591019034 /nfs/dbraw/zinc/01/90/34/591019034.db2.gz WSFDSAJMODGURO-MRXNPFEDSA-N 0 3 344.463 1.705 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)/C=C\c2cnn(C)c2)N(C)C)cc1 ZINC000891256680 591022529 /nfs/dbraw/zinc/02/25/29/591022529.db2.gz ZUIMBOYNWDHOEX-HJLMUGLJSA-N 0 3 341.459 1.918 20 10 EDCDHN CN(C)c1ccc(CNC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)cc1 ZINC000891607276 591148279 /nfs/dbraw/zinc/14/82/79/591148279.db2.gz NVMTXTIECSGJFA-ZWKOTPCHSA-N 0 3 346.475 1.493 20 10 EDCDHN COc1ccc(CN(C)CCN2C[C@@H](C)O[C@@H](C)C2)c(O)c1OC ZINC000894110382 591197481 /nfs/dbraw/zinc/19/74/81/591197481.db2.gz FFFBIBPLYQMFRA-OKILXGFUSA-N 0 3 338.448 1.950 20 10 EDCDHN CN(C)c1ccc(/C=C\CN2CCC(O)(COCCO)CC2)cc1 ZINC000895830559 591284347 /nfs/dbraw/zinc/28/43/47/591284347.db2.gz XOIJUYWWMHEZRV-ARJAWSKDSA-N 0 3 334.460 1.602 20 10 EDCDHN COc1ccc(CN2C[C@H](N3CCOCC3)C[C@@H]2C)c(O)c1OC ZINC000894407327 591303423 /nfs/dbraw/zinc/30/34/23/591303423.db2.gz MHUCREZBCDFQHA-DZGCQCFKSA-N 0 3 336.432 1.704 20 10 EDCDHN CN(C)c1ccc([C@H](CNc2cc(C(N)=O)ncn2)N(C)C)cc1 ZINC000897522969 591523194 /nfs/dbraw/zinc/52/31/94/591523194.db2.gz QSTBWBDHZNVEAA-HNNXBMFYSA-N 0 3 328.420 1.356 20 10 EDCDHN CN1CCN(c2ccc(CN3CC(N4CCCC4=O)C3)cc2)CC1 ZINC000897783672 591666734 /nfs/dbraw/zinc/66/67/34/591666734.db2.gz HPJBXYGSUVQRBZ-UHFFFAOYSA-N 0 3 328.460 1.245 20 10 EDCDHN C[C@@H]1CC[C@H](O)CN1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899098407 591688498 /nfs/dbraw/zinc/68/84/98/591688498.db2.gz NKZLWUNTZGVWIQ-JLSDUUJJSA-N 0 3 348.491 1.910 20 10 EDCDHN COc1ccc(CN[C@@H]2CC[C@H](C)S(=O)(=O)C2)c(O)c1OC ZINC000895369390 591732313 /nfs/dbraw/zinc/73/23/13/591732313.db2.gz RCYJAPYNNNFFIM-CMPLNLGQSA-N 0 3 329.418 1.465 20 10 EDCDHN CCOC(=O)N1C[C@@H](CO)[C@@H]([NH2+]Cc2ccc(OCC)cc2[O-])C1 ZINC000898358324 591889823 /nfs/dbraw/zinc/88/98/23/591889823.db2.gz DHGBOFREDGYBLB-ZFWWWQNUSA-N 0 3 338.404 1.330 20 10 EDCDHN CN(C)c1ccc([C@H](CN2C(=O)[C@@H]3CCCN3C2=O)N(C)C)cc1 ZINC000900186045 591933070 /nfs/dbraw/zinc/93/30/70/591933070.db2.gz VHXJSZSBSRKQMQ-HOTGVXAUSA-N 0 3 330.432 1.782 20 10 EDCDHN CC[C@@H]([NH2+]C[C@@]1(OC)CCS(=O)(=O)C1)c1ccc(C)cc1[O-] ZINC000903363392 592158909 /nfs/dbraw/zinc/15/89/09/592158909.db2.gz NTMPYPYDCUGYJV-ZBFHGGJFSA-N 0 3 327.446 1.945 20 10 EDCDHN CCN(CC)c1ccc(CNC[C@@H](O)C[C@]2(O)CCOC2)cc1F ZINC000905105552 592408483 /nfs/dbraw/zinc/40/84/83/592408483.db2.gz LSPQQLOLGBAXIR-MAUKXSAKSA-N 0 3 340.439 1.664 20 10 EDCDHN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)NCC1(N)CC1 ZINC000911503596 592933162 /nfs/dbraw/zinc/93/31/62/592933162.db2.gz BJSVKSDASWNCIV-UHFFFAOYSA-N 0 3 344.459 1.243 20 10 EDCDHN Cc1nc2n(n1)C[C@H](C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1)CC2 ZINC000911667384 592973932 /nfs/dbraw/zinc/97/39/32/592973932.db2.gz QKDGJLMWXJBXFQ-GDBMZVCRSA-N 0 3 342.447 1.031 20 10 EDCDHN CC[N@@H+]1CC[C@H]2OCCN(Cc3cc4c(cc3[O-])OC[C@H]4O)[C@H]2C1 ZINC000840083043 593142571 /nfs/dbraw/zinc/14/25/71/593142571.db2.gz CQGGUZQOARGUIV-USXIJHARSA-N 0 3 334.416 1.113 20 10 EDCDHN CC[N@H+]1CC[C@H]2OCCN(Cc3cc4c(cc3[O-])OC[C@H]4O)[C@H]2C1 ZINC000840083043 593142572 /nfs/dbraw/zinc/14/25/72/593142572.db2.gz CQGGUZQOARGUIV-USXIJHARSA-N 0 3 334.416 1.113 20 10 EDCDHN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H]1CCCN1CCCO ZINC000838479832 593177661 /nfs/dbraw/zinc/17/76/61/593177661.db2.gz UBQCCTKJQXDBMF-SFHVURJKSA-N 0 3 348.491 1.707 20 10 EDCDHN COc1cc(O)c(CN[C@@H](CCSC)C(=O)N(C)C)cc1OC ZINC000809784965 593358607 /nfs/dbraw/zinc/35/86/07/593358607.db2.gz PHYWOINZWKVKTE-LBPRGKRZSA-N 0 3 342.461 1.709 20 10 EDCDHN CN(C)c1ccc(CN(C)C(=O)CN2C[C@@H]3CC[C@H](O)C[C@@H]3C2)cc1 ZINC000839666605 593360063 /nfs/dbraw/zinc/36/00/63/593360063.db2.gz SOBGDCMRYRREBR-SCTDSRPQSA-N 0 3 345.487 1.804 20 10 EDCDHN COC(=O)[C@H]1CSCC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000840185943 593364188 /nfs/dbraw/zinc/36/41/88/593364188.db2.gz JIHOWJVRXCOPSP-BXUZGUMPSA-N 0 3 339.413 1.156 20 10 EDCDHN COC(=O)[C@H]1CSCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000840185943 593364191 /nfs/dbraw/zinc/36/41/91/593364191.db2.gz JIHOWJVRXCOPSP-BXUZGUMPSA-N 0 3 339.413 1.156 20 10 EDCDHN CC[C@H](C)N(C)CCNC(=O)C(=O)NCc1ccc(N(C)C)cc1C ZINC000804215781 593398032 /nfs/dbraw/zinc/39/80/32/593398032.db2.gz FRQGMVNUJCHUTJ-HNNXBMFYSA-N 0 3 348.491 1.524 20 10 EDCDHN C[NH+](C)CCCNC(=O)NCc1cc(Br)ccc1[O-] ZINC000806277386 593436261 /nfs/dbraw/zinc/43/62/61/593436261.db2.gz ALEKXQKXRLMUSS-UHFFFAOYSA-N 0 3 330.226 1.906 20 10 EDCDHN COc1ccc(N2CCN(C[C@H](O)CN3C[C@H](C)[C@H]3C)CC2)cc1 ZINC000815163880 593618871 /nfs/dbraw/zinc/61/88/71/593618871.db2.gz RWTGYYKLLOINNH-JZXOWHBKSA-N 0 3 333.476 1.518 20 10 EDCDHN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)N(C)CCN(C)C ZINC000817861102 593642025 /nfs/dbraw/zinc/64/20/25/593642025.db2.gz BXXFFJGCDWERRX-OAHLLOKOSA-N 0 3 348.491 1.128 20 10 EDCDHN C[C@@H]1CCCN(C(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)[C@@H]1CN ZINC000817995077 593654721 /nfs/dbraw/zinc/65/47/21/593654721.db2.gz VHMQDDPZSRULFV-RHSMWYFYSA-N 0 3 346.475 1.297 20 10 EDCDHN COC[C@H](C)OC[C@H](O)CNCc1ccc(N2CCOCC2)cc1 ZINC000818972098 593731240 /nfs/dbraw/zinc/73/12/40/593731240.db2.gz DFRRMCBJIFLPGC-MAUKXSAKSA-N 0 3 338.448 1.025 20 10 EDCDHN CC(C)(C)OC(=O)NCC[C@@H](O)CNCc1ccc2c(c1)CCO2 ZINC000818996721 593733075 /nfs/dbraw/zinc/73/30/75/593733075.db2.gz JWKDJKCPSKMOON-OAHLLOKOSA-N 0 3 336.432 1.987 20 10 EDCDHN CCN1CCN(c2ccc(CNC(=O)[C@@H](N)C3CCC3)cc2F)CC1 ZINC000828882976 594523691 /nfs/dbraw/zinc/52/36/91/594523691.db2.gz GTPMFHBVCXRGNI-SFHVURJKSA-N 0 3 348.466 1.711 20 10 EDCDHN COc1ccc(N2CCN(C(=O)[C@@H](N)CC(F)F)CC2)cc1F ZINC000831147032 594568798 /nfs/dbraw/zinc/56/87/98/594568798.db2.gz QVMGZGLLRJGTAQ-LBPRGKRZSA-N 0 3 331.338 1.465 20 10 EDCDHN COC1CCN(c2ccc(CN[C@@H]3C(=O)NCC[C@H]3C)cc2)CC1 ZINC000829463313 594619162 /nfs/dbraw/zinc/61/91/62/594619162.db2.gz JSBJYBUMSRQJOZ-KDOFPFPSSA-N 0 3 331.460 1.916 20 10 EDCDHN CC(C)CCC(=O)NCC(=O)NC[C@@H](N)c1ccc(N(C)C)cc1 ZINC000832281492 594740117 /nfs/dbraw/zinc/74/01/17/594740117.db2.gz TUCATCILZNVYFQ-MRXNPFEDSA-N 0 3 334.464 1.421 20 10 EDCDHN COC(=O)c1coc(C(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)c1 ZINC000832285453 594740371 /nfs/dbraw/zinc/74/03/71/594740371.db2.gz QPPHYEWZUQRTSR-CQSZACIVSA-N 0 3 331.372 1.562 20 10 EDCDHN CC(C)CN1C[C@@H](C(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)CC1=O ZINC000832299507 594741118 /nfs/dbraw/zinc/74/11/18/594741118.db2.gz BUFYRCRKYJPSNX-DOTOQJQBSA-N 0 3 346.475 1.373 20 10 EDCDHN Cc1cc(N(C)C)ccc1CN1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000840908771 594826388 /nfs/dbraw/zinc/82/63/88/594826388.db2.gz XPBDQYZPCDOVPS-HNNXBMFYSA-N 0 3 339.505 1.822 20 10 EDCDHN C[C@@H](CNC(=O)C(=O)Nc1ccc(N)cc1)N(C)Cc1ccccc1 ZINC000841036809 594842614 /nfs/dbraw/zinc/84/26/14/594842614.db2.gz URVUNQICVUJGPF-AWEZNQCLSA-N 0 3 340.427 1.844 20 10 EDCDHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2ccc(N)cc2)CC1 ZINC000841298160 594882895 /nfs/dbraw/zinc/88/28/95/594882895.db2.gz MWRBBVVAYCSVJB-HNNXBMFYSA-N 0 3 331.420 1.039 20 10 EDCDHN Nc1ccc(Cc2nc(C(=O)NC[C@@H]3CNCCO3)cs2)cc1 ZINC000841856339 594966480 /nfs/dbraw/zinc/96/64/80/594966480.db2.gz MTJFNIRZHBUIMG-ZDUSSCGKSA-N 0 3 332.429 1.034 20 10 EDCDHN COCCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)c1cccc(OC)c1[O-] ZINC000846162131 595162393 /nfs/dbraw/zinc/16/23/93/595162393.db2.gz BCRNUMYXIIGNEG-XNRPHZJLSA-N 0 3 325.405 1.872 20 10 EDCDHN CC[C@@H](N[C@H]1CCN(S(C)(=O)=O)C1)c1ccc(N(C)C)cc1 ZINC000846183594 595167332 /nfs/dbraw/zinc/16/73/32/595167332.db2.gz HRHGEAVNVWRJET-GOEBONIOSA-N 0 3 325.478 1.827 20 10 EDCDHN CN(C)C(=O)CCN1CCN(C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000835028614 595247332 /nfs/dbraw/zinc/24/73/32/595247332.db2.gz NFZUDWSHWMIJIZ-AATRIKPKSA-N 0 3 344.503 1.862 20 10 EDCDHN CN(C)c1ccc(/C=C/CN(C)C[C@@H](O)CN2CCOCC2)cc1 ZINC000835026409 595247597 /nfs/dbraw/zinc/24/75/97/595247597.db2.gz TUBCSVWIBGUFHW-VZSQWMKGSA-N 0 3 333.476 1.391 20 10 EDCDHN CCOc1ccc(C[N@@H+]2CCC[C@H](N3CCNCC3=O)C2)c([O-])c1 ZINC000843065900 595279126 /nfs/dbraw/zinc/27/91/26/595279126.db2.gz RCTWTWOYXWKWIE-HNNXBMFYSA-N 0 3 333.432 1.187 20 10 EDCDHN CCOc1ccc(C[N@H+]2CCC[C@H](N3CCNCC3=O)C2)c([O-])c1 ZINC000843065900 595279128 /nfs/dbraw/zinc/27/91/28/595279128.db2.gz RCTWTWOYXWKWIE-HNNXBMFYSA-N 0 3 333.432 1.187 20 10 EDCDHN C[C@H]1CCN[C@@H](C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C1 ZINC000844173702 595291500 /nfs/dbraw/zinc/29/15/00/595291500.db2.gz RDEYIBUVKGCGEJ-HNAYVOBHSA-N 0 3 345.487 1.900 20 10 EDCDHN NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C3(N)CCCC3)cc2)C1 ZINC000844176697 595293096 /nfs/dbraw/zinc/29/30/96/595293096.db2.gz UQTVJVROYYARNJ-HNNXBMFYSA-N 0 3 344.459 1.276 20 10 EDCDHN COCCN1CCC(NC(=O)NCc2cc(Cl)ccc2O)CC1 ZINC000844927439 595415723 /nfs/dbraw/zinc/41/57/23/595415723.db2.gz NMDDZQPZWTXJPK-UHFFFAOYSA-N 0 3 341.839 1.956 20 10 EDCDHN CCc1cccc(CNc2cnn(CC(=O)NCCN(C)C)c2)c1O ZINC000848903200 595465131 /nfs/dbraw/zinc/46/51/31/595465131.db2.gz YSLPZWXYJXDNGY-UHFFFAOYSA-N 0 3 345.447 1.441 20 10 EDCDHN CCc1cccc(CNCCS(=O)(=O)C2CCOCC2)c1O ZINC000848916459 595467281 /nfs/dbraw/zinc/46/72/81/595467281.db2.gz UREPPRSDCGZCMT-UHFFFAOYSA-N 0 3 327.446 1.638 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNC(=O)[C@H](N)c2ccc(F)cc2F)cc1 ZINC000852792662 595544775 /nfs/dbraw/zinc/54/47/75/595544775.db2.gz ZFIKPEZXPGESOJ-IAGOWNOFSA-N 0 3 348.397 1.847 20 10 EDCDHN Nc1ccc(NC(=O)C(=O)N[C@@H]2CCN(C3CCCCC3)C2)cc1 ZINC000850846310 595652896 /nfs/dbraw/zinc/65/28/96/595652896.db2.gz LZWLITVDMUODKH-OAHLLOKOSA-N 0 3 330.432 1.731 20 10 EDCDHN C[C@@H](C[NH2+]Cc1c([O-])cccc1Br)N1CCN(C)CC1 ZINC000858126942 595707065 /nfs/dbraw/zinc/70/70/65/595707065.db2.gz NZDBVGWORBJKQN-LBPRGKRZSA-N 0 3 342.281 1.880 20 10 EDCDHN CN(C)c1cc(F)c(CNC[C@@H]2CCN(S(C)(=O)=O)C2)cc1F ZINC000858152862 595714267 /nfs/dbraw/zinc/71/42/67/595714267.db2.gz BUEGMJQBAADJNK-NSHDSACASA-N 0 3 347.431 1.402 20 10 EDCDHN O=[N+]([O-])c1cc(CN2CCOC3(CNC3)C2)ccc1N1CCCCC1 ZINC000853249662 595719616 /nfs/dbraw/zinc/71/96/16/595719616.db2.gz SWBMTLLLWWELPG-UHFFFAOYSA-N 0 3 346.431 1.759 20 10 EDCDHN C[C@H](NC[C@H](O)[C@H]1CCCO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000858469668 595804217 /nfs/dbraw/zinc/80/42/17/595804217.db2.gz XXALTDHPLAGWHO-DOPJRALCSA-N 0 3 338.423 1.853 20 10 EDCDHN C[C@@H]([NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1)c1cc(F)ccc1[O-] ZINC000858489027 595808215 /nfs/dbraw/zinc/80/82/15/595808215.db2.gz QESVOUWYZTXGTJ-DGCLKSJQSA-N 0 3 342.378 1.899 20 10 EDCDHN CCS(=O)(=O)C[C@@H](C)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850487072 595842560 /nfs/dbraw/zinc/84/25/60/595842560.db2.gz FEJRFWIITFVUIE-KGLIPLIRSA-N 0 3 326.462 1.687 20 10 EDCDHN COc1ccc(N2CC[C@@H](NC(=O)NC(C)(C)CN(C)C)C2)cc1 ZINC000854296838 596024793 /nfs/dbraw/zinc/02/47/93/596024793.db2.gz HBGDZVFKMZQCFP-CQSZACIVSA-N 0 3 334.464 1.913 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN(C)CC1(C)COC1)cc2=O ZINC000859569479 596134819 /nfs/dbraw/zinc/13/48/19/596134819.db2.gz AFUQRKPOHYDUFN-UHFFFAOYSA-N 0 3 334.376 1.080 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@H]1[C@@H](C)[C@H](C)O[C@H]1C)cc2=O ZINC000859827999 596203912 /nfs/dbraw/zinc/20/39/12/596203912.db2.gz VMKPJVUPPFZVBN-VEABSNGSSA-N 0 3 348.403 1.513 20 10 EDCDHN Cc1ccc([C@H](C)[NH2+]C[C@]23COCCN2C(=O)COC3)c([O-])c1C ZINC000866551834 596247053 /nfs/dbraw/zinc/24/70/53/596247053.db2.gz CRSDPLUSPKYHBD-KBXCAEBGSA-N 0 3 334.416 1.287 20 10 EDCDHN CN(C)c1ccc(CNS(=O)(=O)CCCN2CCCC2)cc1F ZINC000866672396 596287505 /nfs/dbraw/zinc/28/75/05/596287505.db2.gz LIIBUSZMKVZRKJ-UHFFFAOYSA-N 0 3 343.468 1.797 20 10 EDCDHN Cc1cc(Br)cc(C[NH2+]CCN2CC[C@@H](O)C2)c1[O-] ZINC000862531959 596340231 /nfs/dbraw/zinc/34/02/31/596340231.db2.gz MOEAFSPRLODEQP-CYBMUJFWSA-N 0 3 329.238 1.619 20 10 EDCDHN CCN(CCN)C(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000863748232 596672268 /nfs/dbraw/zinc/67/22/68/596672268.db2.gz AVZYUBXEUBPRHG-UHFFFAOYSA-N 0 3 347.459 1.861 20 10 EDCDHN COc1cc(Cl)cc(C[NH2+]C[C@@]23COC(=O)N2CCOC3)c1[O-] ZINC000872262495 596859753 /nfs/dbraw/zinc/85/97/53/596859753.db2.gz GIEIVKZFQSVIDY-OAHLLOKOSA-N 0 3 342.779 1.365 20 10 EDCDHN COc1ccc(CN[C@H](C)Cn2cncn2)cc1Cn1cccn1 ZINC000873025649 597163637 /nfs/dbraw/zinc/16/36/37/597163637.db2.gz DKRUURGAINCVMW-CQSZACIVSA-N 0 3 326.404 1.710 20 10 EDCDHN CC[C@H](C)[C@H](N)C(=O)N1CCN(c2ccc(OC)cc2OC)CC1 ZINC000877227501 597467805 /nfs/dbraw/zinc/46/78/05/597467805.db2.gz LDEDXZGVTGZOGH-GUYCJALGSA-N 0 3 335.448 1.726 20 10 EDCDHN OC1CCN(c2ccc(CN3CC[C@](O)(C(F)F)C3)cc2)CC1 ZINC000877563948 597536359 /nfs/dbraw/zinc/53/63/59/597536359.db2.gz RPYJGZJDYNQNET-QGZVFWFLSA-N 0 3 326.387 1.850 20 10 EDCDHN CO[N-]C(=O)C1CC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877785225 597556306 /nfs/dbraw/zinc/55/63/06/597556306.db2.gz UAXKGLXZKOWQPI-UHFFFAOYSA-N 0 3 347.459 1.537 20 10 EDCDHN CONC(=O)C1CCN(Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877785225 597556307 /nfs/dbraw/zinc/55/63/07/597556307.db2.gz UAXKGLXZKOWQPI-UHFFFAOYSA-N 0 3 347.459 1.537 20 10 EDCDHN CN(Cc1cnc(N2CCN(C)CC2)nc1)Cc1ccccc1O ZINC000091974460 530015682 /nfs/dbraw/zinc/01/56/82/530015682.db2.gz NSVUAKFPRBYHQY-UHFFFAOYSA-N 0 3 327.432 1.566 20 10 EDCDHN Cc1ccc(C(=O)NCC[NH2+]Cc2cc3c(cc2[O-])OCO3)cc1 ZINC000237629766 249303221 /nfs/dbraw/zinc/30/32/21/249303221.db2.gz IEQUBJZKBUOATI-UHFFFAOYSA-N 0 3 328.368 1.949 20 10 EDCDHN CC[C@H](C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)N(C)C ZINC000268734334 249374534 /nfs/dbraw/zinc/37/45/34/249374534.db2.gz MXIOJBRYSWKUME-MRXNPFEDSA-N 0 3 337.439 1.743 20 10 EDCDHN [O-]c1cc2c(cc1C[NH2+]CCn1cc(Br)cn1)OCO2 ZINC000285362692 249629332 /nfs/dbraw/zinc/62/93/32/249629332.db2.gz BNJNEGBQEBPBOM-UHFFFAOYSA-N 0 3 340.177 1.870 20 10 EDCDHN Nc1ccc(CCNC(=O)c2cnn(CCN3CCCCC3)c2)cc1 ZINC000361725177 250176466 /nfs/dbraw/zinc/17/64/66/250176466.db2.gz COLQHJBJBIAIID-UHFFFAOYSA-N 0 3 341.459 1.924 20 10 EDCDHN O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1CN2CCN1CCC2 ZINC000372854219 250227195 /nfs/dbraw/zinc/22/71/95/250227195.db2.gz BWFPQEMJFZGFEP-GOSISDBHSA-N 0 3 328.460 1.293 20 10 EDCDHN Cc1cc([O-])c(C[NH2+][C@H]2CC(=O)N(CCN3CCOCC3)C2)cc1C ZINC000177355615 442331424 /nfs/dbraw/zinc/33/14/24/442331424.db2.gz KNMNSQRSTOWMGU-KRWDZBQOSA-N 0 3 347.459 1.032 20 10 EDCDHN Cc1cc(O)c(CN[C@H]2CC(=O)N(CCN3CCOCC3)C2)cc1C ZINC000177355615 442331427 /nfs/dbraw/zinc/33/14/27/442331427.db2.gz KNMNSQRSTOWMGU-KRWDZBQOSA-N 0 3 347.459 1.032 20 10 EDCDHN Cc1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)c1 ZINC000185050203 443125594 /nfs/dbraw/zinc/12/55/94/443125594.db2.gz LAZSBHXJUGARLO-ZDUSSCGKSA-N 0 3 341.411 1.767 20 10 EDCDHN CCOc1ccc([O-])c(C[NH2+]CC2(OCCO)CCOCC2)c1 ZINC000282619891 443391432 /nfs/dbraw/zinc/39/14/32/443391432.db2.gz IYNKUBSGOQBPCH-UHFFFAOYSA-N 0 3 325.405 1.439 20 10 EDCDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@@H](c3cc(C(N)=O)[nH]n3)C2)c1 ZINC000271800462 443513834 /nfs/dbraw/zinc/51/38/34/443513834.db2.gz KPBIZSGKYKLJOF-LLVKDONJSA-N 0 3 330.388 1.602 20 10 EDCDHN COc1ccc([O-])c(C[N@H+]2CCC[C@@H](c3cc(C(N)=O)[nH]n3)C2)c1 ZINC000271800462 443513839 /nfs/dbraw/zinc/51/38/39/443513839.db2.gz KPBIZSGKYKLJOF-LLVKDONJSA-N 0 3 330.388 1.602 20 10 EDCDHN CN1CC=C(CNC(=O)NCc2ccc(N3CCOCC3)cc2)CC1 ZINC000272097322 443525848 /nfs/dbraw/zinc/52/58/48/443525848.db2.gz OHZUAMXOIWUIAE-UHFFFAOYSA-N 0 3 344.459 1.584 20 10 EDCDHN COc1ccc(O)c(CNCc2cccc(N3CCOCC3)n2)c1 ZINC000274941723 443616682 /nfs/dbraw/zinc/61/66/82/443616682.db2.gz QLQGPMMOXHIYOH-UHFFFAOYSA-N 0 3 329.400 1.922 20 10 EDCDHN COc1cc(O)c(CN2CCC(C(=O)N(C)OC)CC2)cc1OC ZINC000291056608 443743095 /nfs/dbraw/zinc/74/30/95/443743095.db2.gz HNJDXVBZPRNDPU-UHFFFAOYSA-N 0 3 338.404 1.641 20 10 EDCDHN COc1cccc(C[NH2+]C[C@@H]2CCCC[C@H]2NS(C)(=O)=O)c1[O-] ZINC000285441829 443985422 /nfs/dbraw/zinc/98/54/22/443985422.db2.gz IJSMIAPFJAOKHL-GXTWGEPZSA-N 0 3 342.461 1.598 20 10 EDCDHN CCOCc1cc(CN[C@@H](CC)CNS(C)(=O)=O)ccc1OC ZINC000294963076 444161973 /nfs/dbraw/zinc/16/19/73/444161973.db2.gz FCVOLNFNMIACIY-HNNXBMFYSA-N 0 3 344.477 1.649 20 10 EDCDHN COc1ccc(O)c(CN2CCC(CNS(C)(=O)=O)CC2)c1 ZINC000289577761 444175011 /nfs/dbraw/zinc/17/50/11/444175011.db2.gz SXSGFNSNDXKXOX-UHFFFAOYSA-N 0 3 328.434 1.162 20 10 EDCDHN CN(C)S(=O)(=O)CCNCc1ccc(N2CCCCC2)cc1 ZINC000289753459 444199036 /nfs/dbraw/zinc/19/90/36/444199036.db2.gz WMKVZWJPOAWEIO-UHFFFAOYSA-N 0 3 325.478 1.658 20 10 EDCDHN COc1cc(O)c(CN[C@@H]2COc3ccccc3[C@@H]2O)cc1OC ZINC000290117540 444244384 /nfs/dbraw/zinc/24/43/84/444244384.db2.gz IRKSADIPAPDWDC-ACJLOTCBSA-N 0 3 331.368 1.994 20 10 EDCDHN [O-]c1cc2c(cc1C[NH2+]C[C@@H]1CCCN1c1cccnn1)OCO2 ZINC000363467938 445816508 /nfs/dbraw/zinc/81/65/08/445816508.db2.gz NFSWKPBEQKTNCY-ZDUSSCGKSA-N 0 3 328.372 1.670 20 10 EDCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CCC[C@]23NC(=O)N(C)C3=O)c1 ZINC000363857540 445879631 /nfs/dbraw/zinc/87/96/31/445879631.db2.gz QKJPBGYELLMNCO-IUUKEHGRSA-N 0 3 347.415 1.772 20 10 EDCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@H](n3cnc(C(N)=O)n3)C2)cc1C ZINC000364670834 445943032 /nfs/dbraw/zinc/94/30/32/445943032.db2.gz FCZPZNBTZAURQO-AWEZNQCLSA-N 0 3 329.404 1.537 20 10 EDCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@H](n3cnc(C(N)=O)n3)C2)cc1C ZINC000364670834 445943035 /nfs/dbraw/zinc/94/30/35/445943035.db2.gz FCZPZNBTZAURQO-AWEZNQCLSA-N 0 3 329.404 1.537 20 10 EDCDHN Cc1cc(O)c(CN2CCC[C@H](n3cnc(C(N)=O)n3)C2)cc1C ZINC000364670834 445943038 /nfs/dbraw/zinc/94/30/38/445943038.db2.gz FCZPZNBTZAURQO-AWEZNQCLSA-N 0 3 329.404 1.537 20 10 EDCDHN O=C1C[C@H](NCc2ccc(N3CCOCC3)cc2)[C@H]2CCCCN12 ZINC000374582402 446378081 /nfs/dbraw/zinc/37/80/81/446378081.db2.gz DDJLHHKIRPZFBL-ZWKOTPCHSA-N 0 3 329.444 1.766 20 10 EDCDHN CCc1noc([C@@]2(O)CCN(Cc3cc(OC)c(OC)cc3O)C2)n1 ZINC000368136840 446661742 /nfs/dbraw/zinc/66/17/42/446661742.db2.gz WLXMLPZHPQBYEB-QGZVFWFLSA-N 0 3 349.387 1.448 20 10 EDCDHN CCN(CC)c1ccc(CNC(=O)[C@H]2CN3CCN2CCC3)cc1F ZINC000371228324 446702758 /nfs/dbraw/zinc/70/27/58/446702758.db2.gz XCEVPHAUYDIOEY-GOSISDBHSA-N 0 3 348.466 1.678 20 10 EDCDHN CC[C@H](c1ccccc1O)N1CCO[C@H](CN2CCN(C)CC2)C1 ZINC000368811700 447125590 /nfs/dbraw/zinc/12/55/90/447125590.db2.gz YZRDKTDUJQETDU-SJLPKXTDSA-N 0 3 333.476 1.792 20 10 EDCDHN CC(C)[C@@H](C(=O)NCc1ccc(N2CCOCC2)c(F)c1)N(C)C ZINC000106908760 528365115 /nfs/dbraw/zinc/36/51/15/528365115.db2.gz CVFZBPVTWYHLSJ-KRWDZBQOSA-N 0 3 337.439 1.865 20 10 EDCDHN COCCCN(C)CCNC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000743641057 579486623 /nfs/dbraw/zinc/48/66/23/579486623.db2.gz FCMBQZDQRWRTHF-ZDUSSCGKSA-N 0 3 339.436 1.729 20 10 EDCDHN COc1cc(Cl)cc(CN(CCO)CCN2CCOCC2)c1O ZINC000761192385 580050882 /nfs/dbraw/zinc/05/08/82/580050882.db2.gz MQRIARZVMSSVCX-UHFFFAOYSA-N 0 3 344.839 1.181 20 10 EDCDHN C[C@@H]1NC(=O)N(Cc2ccc(N3CCN(CC4CC4)CC3)cc2)C1=O ZINC000777674218 580448293 /nfs/dbraw/zinc/44/82/93/580448293.db2.gz XEJIVHQOACZYSR-AWEZNQCLSA-N 0 3 342.443 1.659 20 10 EDCDHN C[C@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@H]1CCCO1 ZINC000753664914 579884589 /nfs/dbraw/zinc/88/45/89/579884589.db2.gz RANVMUKBMBTQPX-WMLDXEAASA-N 0 3 338.473 1.579 20 10 EDCDHN Cc1cc(C)c(O)c(CN2CCN(c3ccc(C(N)=O)cn3)CC2)c1 ZINC000754725726 579910199 /nfs/dbraw/zinc/91/01/99/579910199.db2.gz AOTFEGXTTWYQDI-UHFFFAOYSA-N 0 3 340.427 1.825 20 10 EDCDHN C[C@@H](NCCn1nc2ccccn2c1=O)c1ccc(N(C)C)cc1 ZINC000765399121 580141083 /nfs/dbraw/zinc/14/10/83/580141083.db2.gz AVUGHFZAHLVXRZ-CQSZACIVSA-N 0 3 325.416 1.913 20 10 EDCDHN CC[C@@H](COC)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765978071 580155645 /nfs/dbraw/zinc/15/56/45/580155645.db2.gz CWUJBIBOLJUMDA-HNNXBMFYSA-N 0 3 326.462 1.436 20 10 EDCDHN CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768445109 580213064 /nfs/dbraw/zinc/21/30/64/580213064.db2.gz QDJLDJDROYNXSE-CXAGYDPISA-N 0 3 348.443 1.946 20 10 EDCDHN CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768445109 580213065 /nfs/dbraw/zinc/21/30/65/580213065.db2.gz QDJLDJDROYNXSE-CXAGYDPISA-N 0 3 348.443 1.946 20 10 EDCDHN Cn1cc(C[C@@H]2CC[N@H+](Cc3cc4c(cc3[O-])OC[C@@H]4O)C2)cn1 ZINC000768465343 580214099 /nfs/dbraw/zinc/21/40/99/580214099.db2.gz HARUVFMKMSTMAW-SJCJKPOMSA-N 0 3 329.400 1.616 20 10 EDCDHN Cn1cc(C[C@@H]2CC[N@@H+](Cc3cc4c(cc3[O-])OC[C@@H]4O)C2)cn1 ZINC000768465343 580214100 /nfs/dbraw/zinc/21/41/00/580214100.db2.gz HARUVFMKMSTMAW-SJCJKPOMSA-N 0 3 329.400 1.616 20 10 EDCDHN [O-]c1cc2c(cc1C[N@@H+]1CCOC3(CCOCC3)CC1)[C@H](O)CO2 ZINC000768912083 580224107 /nfs/dbraw/zinc/22/41/07/580224107.db2.gz HLKQINRUIANSLG-MRXNPFEDSA-N 0 3 335.400 1.590 20 10 EDCDHN [O-]c1cc2c(cc1C[N@H+]1CCOC3(CCOCC3)CC1)[C@H](O)CO2 ZINC000768912083 580224108 /nfs/dbraw/zinc/22/41/08/580224108.db2.gz HLKQINRUIANSLG-MRXNPFEDSA-N 0 3 335.400 1.590 20 10 EDCDHN CN1CCN(c2ccc(CN3CC(=O)N[C@H]4CCCC[C@@H]43)cc2)CC1 ZINC000775665934 580396691 /nfs/dbraw/zinc/39/66/91/580396691.db2.gz OGQYOFHFNMYGLS-OALUTQOASA-N 0 3 342.487 1.681 20 10 EDCDHN COCCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000776867700 580430242 /nfs/dbraw/zinc/43/02/42/580430242.db2.gz DZPUZZNFJFGSMZ-XGWLTEMNSA-N 0 3 325.405 1.872 20 10 EDCDHN NC(=O)[C@@H]1CCC[N@H+](CCCNCc2c([O-])ccc(Cl)c2F)C1 ZINC000790959479 580782184 /nfs/dbraw/zinc/78/21/84/580782184.db2.gz GKMQQIQTUNBOLT-LLVKDONJSA-N 0 3 343.830 1.862 20 10 EDCDHN NC(=O)[C@@H]1CCC[N@@H+](CCCNCc2c([O-])ccc(Cl)c2F)C1 ZINC000790959479 580782185 /nfs/dbraw/zinc/78/21/85/580782185.db2.gz GKMQQIQTUNBOLT-LLVKDONJSA-N 0 3 343.830 1.862 20 10 EDCDHN NC(=O)[C@@H]1CCCN(CCC[NH2+]Cc2c([O-])ccc(Cl)c2F)C1 ZINC000790959479 580782186 /nfs/dbraw/zinc/78/21/86/580782186.db2.gz GKMQQIQTUNBOLT-LLVKDONJSA-N 0 3 343.830 1.862 20 10 EDCDHN C[C@H](O)CN1CCN(Cc2ccc(N3CCOCC3)cc2)[C@@H](C)C1 ZINC000793594207 580848546 /nfs/dbraw/zinc/84/85/46/580848546.db2.gz XCGHVOQNVKWJRO-IRXDYDNUSA-N 0 3 333.476 1.410 20 10 EDCDHN CCN(CC)C[C@@H](C)NC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000793793216 580856429 /nfs/dbraw/zinc/85/64/29/580856429.db2.gz ISBJLLPWXDMSKH-CQSZACIVSA-N 0 3 334.464 1.215 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)N(C)C)cc1 ZINC000891245774 591014669 /nfs/dbraw/zinc/01/46/69/591014669.db2.gz IZLOWUIFWKEIKN-NUJGCVRESA-N 0 3 341.459 1.998 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)N(C)C)cc1 ZINC000891245774 591014674 /nfs/dbraw/zinc/01/46/74/591014674.db2.gz IZLOWUIFWKEIKN-NUJGCVRESA-N 0 3 341.459 1.998 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)CCCCC(N)=O)N(C)C)cc1 ZINC000891247129 591016251 /nfs/dbraw/zinc/01/62/51/591016251.db2.gz FJNCMVUQIURGHI-MRXNPFEDSA-N 0 3 334.464 1.517 20 10 EDCDHN Cc1cn(C)nc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891246989 591016511 /nfs/dbraw/zinc/01/65/11/591016511.db2.gz GHKOJSYHSQTXIP-INIZCTEOSA-N 0 3 329.448 1.827 20 10 EDCDHN COC(=O)C1(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CC1 ZINC000891248781 591018940 /nfs/dbraw/zinc/01/89/40/591018940.db2.gz NVQVIWCJDNUPQH-OAHLLOKOSA-N 0 3 333.432 1.425 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)C[C@H]2CCC(=O)N2)N(C)C)cc1 ZINC000891252695 591020323 /nfs/dbraw/zinc/02/03/23/591020323.db2.gz MLWFVXLHUYYJRD-ZBFHGGJFSA-N 0 3 332.448 1.140 20 10 EDCDHN Cc1cc(OCC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)no1 ZINC000891255449 591022555 /nfs/dbraw/zinc/02/25/55/591022555.db2.gz PLAWEFSJFNWSMH-MRXNPFEDSA-N 0 3 346.431 1.847 20 10 EDCDHN COc1ccc(C[NH2+][C@@H](C)C2CCN(S(C)(=O)=O)CC2)c([O-])c1 ZINC000894184989 591220340 /nfs/dbraw/zinc/22/03/40/591220340.db2.gz IJAIKGDMSGXPPB-LBPRGKRZSA-N 0 3 342.461 1.551 20 10 EDCDHN COCCOC[C@H](C)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000896053156 591332993 /nfs/dbraw/zinc/33/29/93/591332993.db2.gz CVLCDJBUABHCHF-HNNXBMFYSA-N 0 3 349.475 1.529 20 10 EDCDHN COc1c(N)ncnc1NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000897522719 591523209 /nfs/dbraw/zinc/52/32/09/591523209.db2.gz NTJCAQGZOZOESE-CQSZACIVSA-N 0 3 330.436 1.848 20 10 EDCDHN CON(C)CCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899097999 591677949 /nfs/dbraw/zinc/67/79/49/591677949.db2.gz KCRJGTUYPBCLCL-INIZCTEOSA-N 0 3 337.468 1.148 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)N(C)C2CC(O)C2)N(C)C)cc1 ZINC000899103864 591683341 /nfs/dbraw/zinc/68/33/41/591683341.db2.gz OHPUWCYNXHYBHX-OFLPRAFFSA-N 0 3 334.464 1.520 20 10 EDCDHN CCOC(=O)N1C[C@H]([NH2+]Cc2ccc(OCC)cc2[O-])[C@@H](CO)C1 ZINC000898358322 591889473 /nfs/dbraw/zinc/88/94/73/591889473.db2.gz DHGBOFREDGYBLB-HIFRSBDPSA-N 0 3 338.404 1.330 20 10 EDCDHN CC[C@H](NCCS(=O)(=O)N=S(C)(C)=O)c1ccccc1O ZINC000903225544 592136864 /nfs/dbraw/zinc/13/68/64/592136864.db2.gz IZVOALDBTSSXPG-LBPRGKRZSA-N 0 3 334.463 1.490 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)c2[nH]ncc2C(F)(F)F)cc1 ZINC000911666702 592973900 /nfs/dbraw/zinc/97/39/00/592973900.db2.gz KOOYTCFABZDMMT-LBPRGKRZSA-N 0 3 341.337 1.924 20 10 EDCDHN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000806042613 593182941 /nfs/dbraw/zinc/18/29/41/593182941.db2.gz SRFZXCWCFPLHSZ-GOEBONIOSA-N 0 3 347.459 1.730 20 10 EDCDHN COc1cc(O)c(CN[C@H](C)C2(S(C)(=O)=O)CC2)cc1OC ZINC000809703155 593355930 /nfs/dbraw/zinc/35/59/30/593355930.db2.gz GEVFKZWIMDPWGR-SNVBAGLBSA-N 0 3 329.418 1.465 20 10 EDCDHN COc1ccc(N2CC[C@H](CNC(=O)CCOC3CNC3)C2)cc1 ZINC000818613005 593707948 /nfs/dbraw/zinc/70/79/48/593707948.db2.gz AXEAWYKFQPVTCG-CQSZACIVSA-N 0 3 333.432 1.016 20 10 EDCDHN CN(C[C@H](O)CNCc1ccc2c(c1)CCO2)C(=O)OC(C)(C)C ZINC000818996204 593732982 /nfs/dbraw/zinc/73/29/82/593732982.db2.gz CPFPRWJSXOWVIK-OAHLLOKOSA-N 0 3 336.432 1.939 20 10 EDCDHN CCOC[C@H](O)CNCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000819121973 593740057 /nfs/dbraw/zinc/74/00/57/593740057.db2.gz PVLWOOPJSIQVSS-OAHLLOKOSA-N 0 3 326.412 1.274 20 10 EDCDHN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NC[C@]1(O)CCN(C)C1 ZINC000840481632 593830719 /nfs/dbraw/zinc/83/07/19/593830719.db2.gz KVASDRVZVADVIF-DNVCBOLYSA-N 0 3 348.491 1.358 20 10 EDCDHN COc1cccc(O)c1CN(C)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000824564286 594039549 /nfs/dbraw/zinc/03/95/49/594039549.db2.gz HQDYRCDDNWAMAT-GFCCVEGCSA-N 0 3 340.420 1.718 20 10 EDCDHN CC1CCN(c2ccc(CNC(=O)CCOC3CNC3)cc2)CC1 ZINC000828987700 594543769 /nfs/dbraw/zinc/54/37/69/594543769.db2.gz CHFBESWORNXXRH-UHFFFAOYSA-N 0 3 331.460 1.918 20 10 EDCDHN C[C@H](NC1CC1)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000827469319 594675129 /nfs/dbraw/zinc/67/51/29/594675129.db2.gz URQLCQRHIYGSHY-ZFWWWQNUSA-N 0 3 344.459 1.145 20 10 EDCDHN C[C@H](NC1CC1)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000827469316 594675138 /nfs/dbraw/zinc/67/51/38/594675138.db2.gz URQLCQRHIYGSHY-DZGCQCFKSA-N 0 3 344.459 1.145 20 10 EDCDHN C[C@@H](NC(=O)c1ccoc1)C(=O)NC[C@H](N)c1ccc(N(C)C)cc1 ZINC000832272990 594739632 /nfs/dbraw/zinc/73/96/32/594739632.db2.gz KZIUGOBMEYOPJW-WBMJQRKESA-N 0 3 344.415 1.280 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNC(=O)c2cc(N)nc(Cl)c2)cc1 ZINC000832280771 594739967 /nfs/dbraw/zinc/73/99/67/594739967.db2.gz QVGGVLDKVBUSGA-CYBMUJFWSA-N 0 3 333.823 1.813 20 10 EDCDHN C[C@H](OC[C@@H]1CCCO1)C(=O)NC[C@H](N)c1ccc(N(C)C)cc1 ZINC000832281499 594740111 /nfs/dbraw/zinc/74/01/11/594740111.db2.gz TVVKVMMCANLLQI-JQFCIGGWSA-N 0 3 335.448 1.453 20 10 EDCDHN CCc1nnc(C)cc1C(=O)NC[C@H](N)c1ccc(N(C)C)cc1 ZINC000832284815 594740161 /nfs/dbraw/zinc/74/01/61/594740161.db2.gz MTIQCYVONQVNCO-INIZCTEOSA-N 0 3 327.432 1.843 20 10 EDCDHN CCc1nnc(C)cc1C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1 ZINC000832284816 594740293 /nfs/dbraw/zinc/74/02/93/594740293.db2.gz MTIQCYVONQVNCO-MRXNPFEDSA-N 0 3 327.432 1.843 20 10 EDCDHN COCCO[C@@H]1C[C@H](CO)CN(Cc2ccc(N(C)C)cc2C)C1 ZINC000840941265 594830201 /nfs/dbraw/zinc/83/02/01/594830201.db2.gz VDTUMEDMXPYIDY-QFBILLFUSA-N 0 3 336.476 1.907 20 10 EDCDHN COC(=O)[C@H]1CN(C)CCN(C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000840958659 594833063 /nfs/dbraw/zinc/83/30/63/594833063.db2.gz QZJQBFMDZDLWGJ-OSJSJHBBSA-N 0 3 331.460 1.802 20 10 EDCDHN CC(C)C[C@@H](CN)NC(=O)C(=O)NCCCSc1nccs1 ZINC000842092717 595016123 /nfs/dbraw/zinc/01/61/23/595016123.db2.gz LZRQZPLZTHPTBB-NSHDSACASA-N 0 3 344.506 1.231 20 10 EDCDHN C[C@@H](NC(=O)C(=O)N[C@@H](CN)C1CCCC1)c1ccc(N(C)C)cc1 ZINC000842203665 595037445 /nfs/dbraw/zinc/03/74/45/595037445.db2.gz VTWNVJUFULMFIJ-DYVFJYSZSA-N 0 3 346.475 1.564 20 10 EDCDHN CCCC[C@@H](NC(N)=O)C(=O)NC[C@H](N)c1ccc(N(C)C)cc1 ZINC000843296341 595065657 /nfs/dbraw/zinc/06/56/57/595065657.db2.gz ATBQCOIAHUXRDU-LSDHHAIUSA-N 0 3 335.452 1.096 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)c2cnccc2N(C)C)cc1 ZINC000843298682 595066941 /nfs/dbraw/zinc/06/69/41/595066941.db2.gz PTMUCRIWMQZDIF-INIZCTEOSA-N 0 3 327.432 1.643 20 10 EDCDHN CC(=O)c1cc(F)cc(CN2CC[NH2+]C[C@@H]2c2nccn2C)c1[O-] ZINC000843380207 595094886 /nfs/dbraw/zinc/09/48/86/595094886.db2.gz RXIGGBRPBRNPNI-OAHLLOKOSA-N 0 3 332.379 1.614 20 10 EDCDHN COc1cccc([C@H](C)NCCS(=O)(=O)NC(C)(C)C)c1O ZINC000846142417 595155718 /nfs/dbraw/zinc/15/57/18/595155718.db2.gz SXMDXMBOAKZJIS-NSHDSACASA-N 0 3 330.450 1.769 20 10 EDCDHN CCN(C)c1ccc([C@@H](C)N[C@H]2CCN(S(C)(=O)=O)C2)cc1 ZINC000846186676 595167876 /nfs/dbraw/zinc/16/78/76/595167876.db2.gz ZJAPZEKVPYNHRR-HIFRSBDPSA-N 0 3 325.478 1.827 20 10 EDCDHN Cc1cc(N2CC[C@H]([NH2+][C@H]3CCc4cccc([O-])c43)C2=O)n(C)n1 ZINC000834673079 595187791 /nfs/dbraw/zinc/18/77/91/595187791.db2.gz MPPMJQKUFPRAHK-KBPBESRZSA-N 0 3 326.400 1.817 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNS(=O)(=O)c2cccs2)cc1 ZINC000842786249 595197917 /nfs/dbraw/zinc/19/79/17/595197917.db2.gz OECLFUPTIYBWGE-ZDUSSCGKSA-N 0 3 325.459 1.792 20 10 EDCDHN CC(C)OCCS(=O)(=O)NC[C@@H](N)c1ccc(N(C)C)cc1 ZINC000842785920 595198084 /nfs/dbraw/zinc/19/80/84/595198084.db2.gz XLMKBNQKPSQQOR-OAHLLOKOSA-N 0 3 329.466 1.097 20 10 EDCDHN O=C1[C@@H](NCc2ccc(N3CCOCC3)cc2)C[C@H]2CCCCN12 ZINC000835074151 595257462 /nfs/dbraw/zinc/25/74/62/595257462.db2.gz QMTGKHXBYCYJMU-MSOLQXFVSA-N 0 3 329.444 1.766 20 10 EDCDHN NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)[C@H]3CCCCN3)cc2)C1 ZINC000844175612 595292475 /nfs/dbraw/zinc/29/24/75/595292475.db2.gz JWTKITFLYFSVFE-DOTOQJQBSA-N 0 3 344.459 1.147 20 10 EDCDHN COC(=O)[C@@H]1C[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C[C@H]1C1CC1 ZINC000844765875 595392805 /nfs/dbraw/zinc/39/28/05/595392805.db2.gz URVZOODAPABSAC-SQWLQELKSA-N 0 3 333.384 1.449 20 10 EDCDHN COC(=O)[C@@H]1C[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C[C@H]1C1CC1 ZINC000844765875 595392808 /nfs/dbraw/zinc/39/28/08/595392808.db2.gz URVZOODAPABSAC-SQWLQELKSA-N 0 3 333.384 1.449 20 10 EDCDHN Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)NCc2ccccc2O)cn1 ZINC000849565296 595571187 /nfs/dbraw/zinc/57/11/87/595571187.db2.gz SRUFBSLJEAETOD-HOTGVXAUSA-N 0 3 328.416 1.477 20 10 EDCDHN CC[C@@H]([NH2+]C)C(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1[O-] ZINC000852885156 595597891 /nfs/dbraw/zinc/59/78/91/595597891.db2.gz OASAKEWRJOBQSH-GFCCVEGCSA-N 0 3 328.796 1.545 20 10 EDCDHN O[C@H](CNCc1ccc(N2CCC(O)CC2)cc1)c1ccccn1 ZINC000853122676 595672260 /nfs/dbraw/zinc/67/22/60/595672260.db2.gz SGNKVBHVIBDZEE-LJQANCHMSA-N 0 3 327.428 1.866 20 10 EDCDHN CN(C)c1cc(F)c(CNC[C@@H]2CN3CCC[C@H]3CO2)cc1F ZINC000858126861 595706576 /nfs/dbraw/zinc/70/65/76/595706576.db2.gz LMLFXKNEQOCNTG-UONOGXRCSA-N 0 3 325.403 1.984 20 10 EDCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@@H]1CCN(c3ccc4nncn4n3)C1)CC2 ZINC000858490202 595808920 /nfs/dbraw/zinc/80/89/20/595808920.db2.gz VNGHISWVJGCGGA-KGLIPLIRSA-N 0 3 336.399 1.686 20 10 EDCDHN O=[S@@](CC[NH2+]Cc1cc2c(cc1[O-])OCO2)CC(F)(F)F ZINC000850348641 595814211 /nfs/dbraw/zinc/81/42/11/595814211.db2.gz QGOQCVVSDFNBGI-NRFANRHFSA-N 0 3 325.308 1.522 20 10 EDCDHN COc1ccc(N2CC[C@@H](NC(=O)NC[C@H]3CCCN3C)C2)cc1 ZINC000852187133 596077263 /nfs/dbraw/zinc/07/72/63/596077263.db2.gz LFAUZIFXYKOCLA-GDBMZVCRSA-N 0 3 332.448 1.667 20 10 EDCDHN COc1ccc(N2CCN(C(=O)CN3CCC[C@@H]3[C@H](C)O)CC2)cc1 ZINC000852560858 596198513 /nfs/dbraw/zinc/19/85/13/596198513.db2.gz FLXSFEPGPBCMNO-MAUKXSAKSA-N 0 3 347.459 1.189 20 10 EDCDHN OC[C@@H]1CN(Cc2cc3c(cc2O)OC[C@H]3O)C[C@H]1C(F)(F)F ZINC000872688564 597033530 /nfs/dbraw/zinc/03/35/30/597033530.db2.gz VXCJLDGUGOWSBG-UFGOTCBOSA-N 0 3 333.306 1.421 20 10 EDCDHN CNC(=O)[C@H]1CCC[C@@H]1NCc1ccc(OC)c(Cn2cccn2)c1 ZINC000873099647 597193360 /nfs/dbraw/zinc/19/33/60/597193360.db2.gz PPZLSJZDPUSZIE-IRXDYDNUSA-N 0 3 342.443 1.944 20 10 EDCDHN CCCOc1ccc(CNC[C@]23COCCN2C(=O)COC3)cc1C ZINC000873148788 597212622 /nfs/dbraw/zinc/21/26/22/597212622.db2.gz HRSXGXVQTGQPMW-LJQANCHMSA-N 0 3 348.443 1.501 20 10 EDCDHN OC1CCN(c2ccc(CN3CCC4(CC3)OCCO4)cc2)CC1 ZINC000876559946 597241223 /nfs/dbraw/zinc/24/12/23/597241223.db2.gz DRAFUQHCUORUBL-UHFFFAOYSA-N 0 3 332.444 1.987 20 10 EDCDHN COC[C@]1(C(=O)N2CCN(c3ccc(OC)cc3)CC2)CCCCN1 ZINC000876708051 597296439 /nfs/dbraw/zinc/29/64/39/597296439.db2.gz GGEWAIZQKBMHPL-IBGZPJMESA-N 0 3 347.459 1.503 20 10 EDCDHN OCCCCN1CCN(Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876725861 597307574 /nfs/dbraw/zinc/30/75/74/597307574.db2.gz ZWPXLJZTXIZYAR-UHFFFAOYSA-N 0 3 347.503 1.538 20 10 EDCDHN CC(C)(C)NS(=O)(=O)C1(CNCc2ccc3c(c2)CCO3)CC1 ZINC000876996430 597407366 /nfs/dbraw/zinc/40/73/66/597407366.db2.gz VAPSJVVSDMKUGJ-UHFFFAOYSA-N 0 3 338.473 1.962 20 10 EDCDHN CCO[C@@H]1C[C@H](NCc2ccc(N3CCC(O)CC3)cc2)[C@@H]1OC ZINC000877351298 597498339 /nfs/dbraw/zinc/49/83/39/597498339.db2.gz KTBRBWVFIRKYTF-OTWHNJEPSA-N 0 3 334.460 1.930 20 10 EDCDHN COc1cc(Cl)cc(C[N@@H+]2C[C@]3(C)C(=O)NC(=O)[C@]3(C)C2)c1[O-] ZINC000877668607 597546390 /nfs/dbraw/zinc/54/63/90/597546390.db2.gz SAOXRVQXNDJKFK-IYBDPMFKSA-N 0 3 338.791 1.539 20 10 EDCDHN COc1cc(Cl)cc(C[N@H+]2C[C@]3(C)C(=O)NC(=O)[C@]3(C)C2)c1[O-] ZINC000877668607 597546391 /nfs/dbraw/zinc/54/63/91/597546391.db2.gz SAOXRVQXNDJKFK-IYBDPMFKSA-N 0 3 338.791 1.539 20 10 EDCDHN C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000879652269 597674536 /nfs/dbraw/zinc/67/45/36/597674536.db2.gz BPMBYEPJLITKPY-RWMBFGLXSA-N 0 3 340.445 1.077 20 10 EDCDHN C[C@H]1C[C@@H]([NH2+]CCN(C)CCOCCO)c2c1c(F)ccc2[O-] ZINC000883350518 597722525 /nfs/dbraw/zinc/72/25/25/597722525.db2.gz IFWQZQYELJKFEP-GXTWGEPZSA-N 0 3 326.412 1.610 20 10 EDCDHN C[C@@H]([NH2+]C1CCN(CCS(C)(=O)=O)CC1)c1ccccc1[O-] ZINC000183505818 701739079 /nfs/dbraw/zinc/73/90/79/701739079.db2.gz AGYGRQIWFTXHLQ-CYBMUJFWSA-N 0 3 326.462 1.552 20 10 EDCDHN CN(C)CCNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000133477507 237242837 /nfs/dbraw/zinc/24/28/37/237242837.db2.gz ZSEKRNSXCCXRCJ-UHFFFAOYSA-N 0 3 338.427 1.148 20 10 EDCDHN C[C@@]1(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCCCN1 ZINC000237595172 249303139 /nfs/dbraw/zinc/30/31/39/249303139.db2.gz ZKINOBMTGLGHRS-SFHVURJKSA-N 0 3 335.423 1.811 20 10 EDCDHN CC(C)NC(=O)CN1CCCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000372392936 250219069 /nfs/dbraw/zinc/21/90/69/250219069.db2.gz ZXWTXTUGXUPNOT-UHFFFAOYSA-N 0 3 332.492 1.785 20 10 EDCDHN C[C@H]1CN(C(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@H]1N(C)C ZINC000297887651 300094943 /nfs/dbraw/zinc/09/49/43/300094943.db2.gz QMIVOWIETNTURK-WMLDXEAASA-N 0 3 346.475 1.120 20 10 EDCDHN CN(C)c1ccc(CNC(=O)CN2CCC(c3nc[nH]n3)CC2)cc1 ZINC000083444721 441360491 /nfs/dbraw/zinc/36/04/91/441360491.db2.gz HRUKZMFSKLLFFX-UHFFFAOYSA-N 0 3 342.447 1.367 20 10 EDCDHN CCCN(Cc1ccccc1O)[C@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000076073997 441593788 /nfs/dbraw/zinc/59/37/88/441593788.db2.gz DFGVEVQWLPAQRW-CQSZACIVSA-N 0 3 347.459 1.730 20 10 EDCDHN C[C@H](CNC(=O)NCc1ccc(N(C)C)cc1)CN1CCN(C)CC1 ZINC000079602571 442067461 /nfs/dbraw/zinc/06/74/61/442067461.db2.gz AABMDZKDUGJKSU-MRXNPFEDSA-N 0 3 347.507 1.435 20 10 EDCDHN CCn1nccc1N1CCC[C@@H](NCc2cccc(OC)c2O)C1=O ZINC000191638049 442480723 /nfs/dbraw/zinc/48/07/23/442480723.db2.gz XPQYDLPRDICKCT-CQSZACIVSA-N 0 3 344.415 1.902 20 10 EDCDHN Cc1ccc(C(=O)N2CCCC[C@@H](N3CCN(C)CC3)C2)c(O)c1O ZINC000182519808 442779887 /nfs/dbraw/zinc/77/98/87/442779887.db2.gz VPBVFUNPNFFOHY-OAHLLOKOSA-N 0 3 347.459 1.648 20 10 EDCDHN COCCO[C@@H]1C[C@@H](CO)CN(Cc2cccc(OC)c2O)C1 ZINC000278661814 443393767 /nfs/dbraw/zinc/39/37/67/443393767.db2.gz KRHZPSNMROJCEJ-UKRRQHHQSA-N 0 3 325.405 1.247 20 10 EDCDHN COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cccc(OC)c2[O-])C1 ZINC000271126385 443491784 /nfs/dbraw/zinc/49/17/84/443491784.db2.gz HLVRTDBSGHNXBY-UKRRQHHQSA-N 0 3 336.432 1.764 20 10 EDCDHN COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2cccc(OC)c2[O-])C1 ZINC000271126385 443491789 /nfs/dbraw/zinc/49/17/89/443491789.db2.gz HLVRTDBSGHNXBY-UKRRQHHQSA-N 0 3 336.432 1.764 20 10 EDCDHN COc1ccc(O)c(CN(C)C[C@@H](O)COCCOC(C)C)c1 ZINC000271738656 443512114 /nfs/dbraw/zinc/51/21/14/443512114.db2.gz PWCGAYWYEXWEFA-OAHLLOKOSA-N 0 3 327.421 1.635 20 10 EDCDHN COc1ccc([O-])c(C[N@H+](C)C[C@@H](O)COCCOC(C)C)c1 ZINC000271738656 443512119 /nfs/dbraw/zinc/51/21/19/443512119.db2.gz PWCGAYWYEXWEFA-OAHLLOKOSA-N 0 3 327.421 1.635 20 10 EDCDHN COc1ccc([O-])c(C[N@@H+](C)C[C@@H](O)COCCOC(C)C)c1 ZINC000271738656 443512122 /nfs/dbraw/zinc/51/21/22/443512122.db2.gz PWCGAYWYEXWEFA-OAHLLOKOSA-N 0 3 327.421 1.635 20 10 EDCDHN COc1cc([O-])c(C[NH2+][C@H](CO)C[C@H](O)c2ccccc2)cc1OC ZINC000271871422 443516575 /nfs/dbraw/zinc/51/65/75/443516575.db2.gz XVZRFJYGFNZZLQ-HOTGVXAUSA-N 0 3 347.411 1.984 20 10 EDCDHN COc1cc([O-])c(C[NH2+][C@@H](CO)C[C@@H](O)c2ccccc2)cc1OC ZINC000271871426 443516849 /nfs/dbraw/zinc/51/68/49/443516849.db2.gz XVZRFJYGFNZZLQ-HZPDHXFCSA-N 0 3 347.411 1.984 20 10 EDCDHN CN(C)CCOc1cc(C(=O)NCCc2ccc(O)c(O)c2)ccn1 ZINC000271237775 443497147 /nfs/dbraw/zinc/49/71/47/443497147.db2.gz NSEHIRDCAZUWHT-UHFFFAOYSA-N 0 3 345.399 1.406 20 10 EDCDHN COc1cc(O)c(CN(C)CCN2CCOC(C)(C)C2)cc1OC ZINC000279505139 443595543 /nfs/dbraw/zinc/59/55/43/443595543.db2.gz WLPWTGNAOHLEBB-UHFFFAOYSA-N 0 3 338.448 1.952 20 10 EDCDHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000283554367 443659793 /nfs/dbraw/zinc/65/97/93/443659793.db2.gz QWPPMLBJFBMVOT-PBHICJAKSA-N 0 3 346.475 1.214 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN(CCO)[C@@H](C)CC)cc2=O ZINC000287223860 443738491 /nfs/dbraw/zinc/73/84/91/443738491.db2.gz FPGQKOMFJXPMHR-NSHDSACASA-N 0 3 336.392 1.204 20 10 EDCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@]2(CO)COCC3(CCC3)N2C)c1 ZINC000527956665 320530460 /nfs/dbraw/zinc/53/04/60/320530460.db2.gz QXYYDWIXTQSXAX-BEFAXECRSA-N 0 3 334.460 1.967 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN(C)CCCSC)cc2=O ZINC000281347337 443886333 /nfs/dbraw/zinc/88/63/33/443886333.db2.gz KHVVDQZZNVTLTR-UHFFFAOYSA-N 0 3 338.433 1.797 20 10 EDCDHN COCCOC[C@H](O)C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000294956560 444161866 /nfs/dbraw/zinc/16/18/66/444161866.db2.gz MZYUFZIBODNZSO-IAGOWNOFSA-N 0 3 339.432 1.397 20 10 EDCDHN COCCOC[C@H](O)C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000294956560 444161868 /nfs/dbraw/zinc/16/18/68/444161868.db2.gz MZYUFZIBODNZSO-IAGOWNOFSA-N 0 3 339.432 1.397 20 10 EDCDHN C[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@@H]1N(C)C ZINC000297887644 444348619 /nfs/dbraw/zinc/34/86/19/444348619.db2.gz QMIVOWIETNTURK-PBHICJAKSA-N 0 3 346.475 1.120 20 10 EDCDHN COc1cccc(C[NH2+][C@@H]2CCN(c3ccccc3C(N)=O)C2)c1[O-] ZINC000370832756 446467847 /nfs/dbraw/zinc/46/78/47/446467847.db2.gz ZLPJYFZJJFCRQZ-CQSZACIVSA-N 0 3 341.411 1.868 20 10 EDCDHN Cc1cc(Cl)cc(C[NH2+]C2CCN(c3nnnn3C)CC2)c1[O-] ZINC000371514480 446908074 /nfs/dbraw/zinc/90/80/74/446908074.db2.gz NERNZEPANPZYPV-UHFFFAOYSA-N 0 3 336.827 1.636 20 10 EDCDHN COCCn1c(C)c(C)c2cc(C(=O)NC[C@@H]3CNCCO3)ccc21 ZINC000570937195 448085404 /nfs/dbraw/zinc/08/54/04/448085404.db2.gz JWJQESRMGCKMMV-INIZCTEOSA-N 0 3 345.443 1.623 20 10 EDCDHN COc1cc(N2CCN(CC3(C)COC3)CC2)cc(OC)c1OC ZINC000759872793 580017619 /nfs/dbraw/zinc/01/76/19/580017619.db2.gz PLVXNLGJTPUPMF-UHFFFAOYSA-N 0 3 336.432 1.871 20 10 EDCDHN O=S1(=O)CCN(c2ccc(CNCc3ccncc3)cc2)CC1 ZINC000733330703 578759936 /nfs/dbraw/zinc/75/99/36/578759936.db2.gz JJGPVUYSVGZDRW-UHFFFAOYSA-N 0 3 331.441 1.606 20 10 EDCDHN COCCN1CC[C@H](NC(=O)NCc2ccc(N(C)C)cc2C)C1 ZINC000736664757 579010627 /nfs/dbraw/zinc/01/06/27/579010627.db2.gz IXVSJMJQXKRCDW-INIZCTEOSA-N 0 3 334.464 1.581 20 10 EDCDHN O=S1(=O)CCc2cc(CNCc3cc4c(cc3O)OCO4)ccc21 ZINC000757694650 579970060 /nfs/dbraw/zinc/97/00/60/579970060.db2.gz XJOGPUFFMLOBKW-UHFFFAOYSA-N 0 3 347.392 1.741 20 10 EDCDHN C[C@@H]([NH2+]C[C@@]1(O)CCN(C)C1)c1cc(Br)ccc1[O-] ZINC000762786607 580083115 /nfs/dbraw/zinc/08/31/15/580083115.db2.gz JWVKZIYZGRYIQB-YGRLFVJLSA-N 0 3 329.238 1.872 20 10 EDCDHN O=S1(=O)CCN(c2ccc(CNCC3=CCCOC3)cc2)CC1 ZINC000769927239 580248694 /nfs/dbraw/zinc/24/86/94/580248694.db2.gz UZFUDGVZFAROTK-UHFFFAOYSA-N 0 3 336.457 1.358 20 10 EDCDHN CC(=O)N1CCCN(Cc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC000775644275 580396071 /nfs/dbraw/zinc/39/60/71/580396071.db2.gz DHVAUFBZXMJAKU-UHFFFAOYSA-N 0 3 330.476 1.493 20 10 EDCDHN CC(=O)N1CCN(C(=O)CN[C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000775835556 580402271 /nfs/dbraw/zinc/40/22/71/580402271.db2.gz UVXCNRIJXLETBX-CQSZACIVSA-N 0 3 332.448 1.094 20 10 EDCDHN CCSCCNCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000783625714 580602729 /nfs/dbraw/zinc/60/27/29/580602729.db2.gz COJXFQUXRGECTI-UHFFFAOYSA-N 0 3 328.503 1.764 20 10 EDCDHN CCOC(=O)c1ccc(N2CC([NH2+]Cc3ccccc3[O-])C2)nc1 ZINC000784623979 580625293 /nfs/dbraw/zinc/62/52/93/580625293.db2.gz BPDLTPSHEORSNH-UHFFFAOYSA-N 0 3 327.384 1.942 20 10 EDCDHN CCOc1ccc(C[NH2+]C2CCC3(CC2)NC(=O)NC3=O)c([O-])c1 ZINC000796515366 580955526 /nfs/dbraw/zinc/95/55/26/580955526.db2.gz DOWZZZGEBBKQMJ-UHFFFAOYSA-N 0 3 333.388 1.401 20 10 EDCDHN CCOc1ccc(C[NH2+][C@H]2CCC[C@H]2CNS(C)(=O)=O)c([O-])c1 ZINC000800309414 581050237 /nfs/dbraw/zinc/05/02/37/581050237.db2.gz ITLUZCLKMMCZOK-WFASDCNBSA-N 0 3 342.461 1.598 20 10 EDCDHN COc1ccc([O-])c(C[NH2+][C@@H]2CCC[C@@H]2CNS(C)(=O)=O)c1 ZINC000800541942 581054730 /nfs/dbraw/zinc/05/47/30/581054730.db2.gz WWAMEKYIKDXJMC-BXUZGUMPSA-N 0 3 328.434 1.208 20 10 EDCDHN COc1ccc(C[NH2+]C[C@H]2CC[C@H](C(=O)N(C)C)O2)c([O-])c1OC ZINC000893282513 590752591 /nfs/dbraw/zinc/75/25/91/590752591.db2.gz DSVZSODGRVOWKD-TZMCWYRMSA-N 0 3 338.404 1.135 20 10 EDCDHN CNS(=O)(=O)C[C@H]1CCCN1Cc1ccc(N(C)C)cc1C ZINC000840919128 590807754 /nfs/dbraw/zinc/80/77/54/590807754.db2.gz UTCCVMZUVZNIBT-MRXNPFEDSA-N 0 3 325.478 1.575 20 10 EDCDHN Cc1ncc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)n1C ZINC000891245937 591015684 /nfs/dbraw/zinc/01/56/84/591015684.db2.gz KKOIIGZFVLSSLT-INIZCTEOSA-N 0 3 329.448 1.827 20 10 EDCDHN Cc1onc(CO)c1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891247836 591017243 /nfs/dbraw/zinc/01/72/43/591017243.db2.gz KSUIQJSNZJXHMK-INIZCTEOSA-N 0 3 346.431 1.574 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCCCN2C)N(C)C)cc1 ZINC000891252679 591019967 /nfs/dbraw/zinc/01/99/67/591019967.db2.gz MDSYRFKOEAVZIW-QZTJIDSGSA-N 0 3 332.492 1.956 20 10 EDCDHN Cc1cnn(CC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC000891254669 591021493 /nfs/dbraw/zinc/02/14/93/591021493.db2.gz HYHZIVQLGVZORL-QGZVFWFLSA-N 0 3 329.448 1.677 20 10 EDCDHN CC1(C)COC[C@@H]1NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000894384096 591297111 /nfs/dbraw/zinc/29/71/11/591297111.db2.gz CWUPUUXAGPQBAH-RDJZCZTQSA-N 0 3 331.460 1.903 20 10 EDCDHN CC1=NO[C@H](CNC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000896087238 591339821 /nfs/dbraw/zinc/33/98/21/591339821.db2.gz IVCUUNFSHVYZJC-DLBZAZTESA-N 0 3 347.463 1.819 20 10 EDCDHN C[C@@H]1[C@H](O)CCCN1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899097729 591678160 /nfs/dbraw/zinc/67/81/60/591678160.db2.gz GBKAYPAWMQIGRJ-FHLIZLRMSA-N 0 3 348.491 1.910 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)NCc2ccncn2)N(C)C)cc1 ZINC000895288500 591701233 /nfs/dbraw/zinc/70/12/33/591701233.db2.gz CFICPFLQPYGYMN-QGZVFWFLSA-N 0 3 342.447 1.645 20 10 EDCDHN Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)NCc2ccc(O)cc2O)cn1 ZINC000910942927 592905277 /nfs/dbraw/zinc/90/52/77/592905277.db2.gz ISNRJFONBLNMOE-HOTGVXAUSA-N 0 3 344.415 1.183 20 10 EDCDHN O=C(NCc1ccc(N2CCOCC2)cc1)N[C@H]1CCN(C2CC2)C1 ZINC000734270281 592959474 /nfs/dbraw/zinc/95/94/74/592959474.db2.gz UANBYXNQQBXWGR-INIZCTEOSA-N 0 3 344.459 1.559 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNC(=O)Cn2nnc3c2CCCC3)cc1 ZINC000911666752 592974127 /nfs/dbraw/zinc/97/41/27/592974127.db2.gz LRQRNDKGCMINFO-OAHLLOKOSA-N 0 3 342.447 1.039 20 10 EDCDHN Cc1nc2c(nccc2C(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)[nH]1 ZINC000911668279 592974400 /nfs/dbraw/zinc/97/44/00/592974400.db2.gz XPHVLZABCDMTSC-OAHLLOKOSA-N 0 3 338.415 1.762 20 10 EDCDHN CCN1CCC[C@@H]1CNC(=O)C(=O)NCc1ccc(N(C)C)cc1C ZINC000807099946 593144456 /nfs/dbraw/zinc/14/44/56/593144456.db2.gz HZHJOAJCBINDJR-QGZVFWFLSA-N 0 3 346.475 1.278 20 10 EDCDHN CC(C)N1CC[C@H](N(C)CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000839616786 593351322 /nfs/dbraw/zinc/35/13/22/593351322.db2.gz WLRQTECCFSWUKJ-SFHVURJKSA-N 0 3 332.492 1.783 20 10 EDCDHN CC[C@@H](Cn1cncn1)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000810212882 593388749 /nfs/dbraw/zinc/38/87/49/593388749.db2.gz GDSHNIPVHDMOSU-HNNXBMFYSA-N 0 3 347.438 1.947 20 10 EDCDHN C[C@H](NC1CCS(=O)(=O)CC1)c1ccc(N2CCOCC2)cc1 ZINC000812826764 593510142 /nfs/dbraw/zinc/51/01/42/593510142.db2.gz VMCVYYRUOMQJFB-AWEZNQCLSA-N 0 3 338.473 1.751 20 10 EDCDHN C[C@H]1C[C@H](CO)CN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000817277218 593587785 /nfs/dbraw/zinc/58/77/85/593587785.db2.gz DKPGIZDXXFZWSZ-RDJZCZTQSA-N 0 3 333.476 1.661 20 10 EDCDHN COc1ccc(N2CC[C@@H](CNC(=O)C[C@@H]3CSCCN3)C2)cc1 ZINC000818613011 593708065 /nfs/dbraw/zinc/70/80/65/593708065.db2.gz BAKGKRVLTDCYGH-LSDHHAIUSA-N 0 3 349.500 1.733 20 10 EDCDHN CCN1CCN(c2ccc(CNC[C@@H](O)CSC)cc2F)CC1 ZINC000819033880 593734950 /nfs/dbraw/zinc/73/49/50/593734950.db2.gz TVQBTEJDCOFISK-OAHLLOKOSA-N 0 3 341.496 1.781 20 10 EDCDHN CCN(CC)c1ccc(CNC[C@H](O)CN2CCOCC2)cc1F ZINC000819043855 593735331 /nfs/dbraw/zinc/73/53/31/593735331.db2.gz WFCRZVCIQYHAPC-INIZCTEOSA-N 0 3 339.455 1.455 20 10 EDCDHN CS[C@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@@H]1N(C)C ZINC000821353823 594025889 /nfs/dbraw/zinc/02/58/89/594025889.db2.gz BASPSRJMJBGWCX-STQMWFEESA-N 0 3 335.433 1.967 20 10 EDCDHN O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000824616637 594047773 /nfs/dbraw/zinc/04/77/73/594047773.db2.gz XXVQCNKSDCOLRZ-QWHCGFSZSA-N 0 3 340.379 1.902 20 10 EDCDHN O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000824616637 594047774 /nfs/dbraw/zinc/04/77/74/594047774.db2.gz XXVQCNKSDCOLRZ-QWHCGFSZSA-N 0 3 340.379 1.902 20 10 EDCDHN CN(C)c1ccc(CN2CCN([C@H]3CCNC(=O)CC3)CC2)cc1F ZINC000825147394 594136191 /nfs/dbraw/zinc/13/61/91/594136191.db2.gz FHURXRMZVBHXIM-MRXNPFEDSA-N 0 3 348.466 1.678 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@@H](CO)[C@@H]1CC)cc2=O ZINC000830715126 594463046 /nfs/dbraw/zinc/46/30/46/594463046.db2.gz VTRYBRHDARAUTN-FZMZJTMJSA-N 0 3 348.403 1.204 20 10 EDCDHN NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H](N)C3CCC3)cc2)C1 ZINC000827469413 594675125 /nfs/dbraw/zinc/67/51/25/594675125.db2.gz WVMZCVHPLKUEHB-WBVHZDCISA-N 0 3 344.459 1.132 20 10 EDCDHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1ccc(N)cc1 ZINC000841021215 594840672 /nfs/dbraw/zinc/84/06/72/594840672.db2.gz DUBDDQYFLMNYGN-MJBXVCDLSA-N 0 3 332.448 1.690 20 10 EDCDHN CN(C)CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc(N)cc1 ZINC000841064670 594846561 /nfs/dbraw/zinc/84/65/61/594846561.db2.gz SGYXLNRVROEMFC-UHFFFAOYSA-N 0 3 346.456 1.859 20 10 EDCDHN CN1CC[C@@H]2CN(C(=O)NCc3ccc(N4CCOCC4)cc3)C[C@@H]21 ZINC000836248319 594942917 /nfs/dbraw/zinc/94/29/17/594942917.db2.gz HSSMLYZFJOEJJG-AEFFLSMTSA-N 0 3 344.459 1.369 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)c2cc(C(N)=O)cs2)cc1 ZINC000843299859 595066471 /nfs/dbraw/zinc/06/64/71/595066471.db2.gz YAGGMEVOUGPUNY-ZDUSSCGKSA-N 0 3 332.429 1.343 20 10 EDCDHN COc1cccc([C@H](C)[NH2+][C@@H]2CCCN(S(C)(=O)=O)C2)c1[O-] ZINC000846142449 595155662 /nfs/dbraw/zinc/15/56/62/595155662.db2.gz TZZGVEIRKUDEMW-NWDGAFQWSA-N 0 3 328.434 1.475 20 10 EDCDHN COc1cccc([C@H](C)N[C@@H]2CCCN(S(C)(=O)=O)C2)c1O ZINC000846142449 595155666 /nfs/dbraw/zinc/15/56/66/595155666.db2.gz TZZGVEIRKUDEMW-NWDGAFQWSA-N 0 3 328.434 1.475 20 10 EDCDHN [O-]c1cccc2c1[C@H]([NH2+][C@H]1CCN(CCN3CCOCC3)C1)CC2 ZINC000834590127 595169844 /nfs/dbraw/zinc/16/98/44/595169844.db2.gz RBDWXPVKYHIRRR-DLBZAZTESA-N 0 3 331.460 1.376 20 10 EDCDHN CC1CCN(S(=O)(=O)NC[C@H](N)c2ccc(N(C)C)cc2)CC1 ZINC000842785424 595197539 /nfs/dbraw/zinc/19/75/39/595197539.db2.gz QOCMPDRGOUDETE-INIZCTEOSA-N 0 3 340.493 1.319 20 10 EDCDHN COc1ccc(N2CC[C@@H](COC(=O)C3CCN(C)C3=O)C2)cc1 ZINC000842876791 595223199 /nfs/dbraw/zinc/22/31/99/595223199.db2.gz XINDQEMXWQWLAU-CJNGLKHVSA-N 0 3 332.400 1.543 20 10 EDCDHN COc1ccc(N(C)CC[N@H+](C)CCCOC([O-])=NC(N)=O)cc1 ZINC000844402171 595338133 /nfs/dbraw/zinc/33/81/33/595338133.db2.gz VWBBLCUFAQNZMR-UHFFFAOYSA-N 0 3 338.408 1.258 20 10 EDCDHN COc1ccc(N(C)CC[N@@H+](C)CCCOC([O-])=NC(N)=O)cc1 ZINC000844402171 595338134 /nfs/dbraw/zinc/33/81/34/595338134.db2.gz VWBBLCUFAQNZMR-UHFFFAOYSA-N 0 3 338.408 1.258 20 10 EDCDHN COc1ccc(N(C)CC[N@H+](C)CCCOC(=O)N=C(N)[O-])cc1 ZINC000844402171 595338136 /nfs/dbraw/zinc/33/81/36/595338136.db2.gz VWBBLCUFAQNZMR-UHFFFAOYSA-N 0 3 338.408 1.258 20 10 EDCDHN COc1ccc(N(C)CC[N@@H+](C)CCCOC(=O)N=C(N)[O-])cc1 ZINC000844402171 595338137 /nfs/dbraw/zinc/33/81/37/595338137.db2.gz VWBBLCUFAQNZMR-UHFFFAOYSA-N 0 3 338.408 1.258 20 10 EDCDHN NC[C@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)C(F)(F)F ZINC000848596241 595413929 /nfs/dbraw/zinc/41/39/29/595413929.db2.gz ULMGXRUMDFIRHG-ZDUSSCGKSA-N 0 3 328.338 1.752 20 10 EDCDHN Nc1ccc(CCNC(=O)NC2CCN([C@H]3CCOC3)CC2)cc1 ZINC000851663093 595873557 /nfs/dbraw/zinc/87/35/57/595873557.db2.gz SORHSVNFFUKFJW-KRWDZBQOSA-N 0 3 332.448 1.364 20 10 EDCDHN COC1CCN(c2ccc(CN3CCC(CO)(CO)C3)cc2)CC1 ZINC000852632144 596213473 /nfs/dbraw/zinc/21/34/73/596213473.db2.gz QJAGBYYZYASLSC-UHFFFAOYSA-N 0 3 334.460 1.479 20 10 EDCDHN Cc1cc(N(C)C)ccc1CN1CCC(n2cc(C(N)=O)nn2)CC1 ZINC000862483911 596335340 /nfs/dbraw/zinc/33/53/40/596335340.db2.gz XOOCFAXIFROEBV-UHFFFAOYSA-N 0 3 342.447 1.589 20 10 EDCDHN O=C(Nc1cccc2c1CCNC2)C(=O)N1Cc2cccc(O)c2C1 ZINC000868300122 596775161 /nfs/dbraw/zinc/77/51/61/596775161.db2.gz SBZYLYWPZJMULO-UHFFFAOYSA-N 0 3 337.379 1.519 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)c2ncn(C(C)(C)C)n2)cc1 ZINC000876505889 597224544 /nfs/dbraw/zinc/22/45/44/597224544.db2.gz CBQVMJZMJVDXHF-AWEZNQCLSA-N 0 3 330.436 1.529 20 10 EDCDHN COc1ccc(N2CC[C@@H](CNC(=O)c3c(CN)cnn3C)C2)cc1 ZINC000876931852 597389430 /nfs/dbraw/zinc/38/94/30/597389430.db2.gz XHZLJQNXQMCFBA-ZDUSSCGKSA-N 0 3 343.431 1.144 20 10 EDCDHN C[C@@H]([NH2+][C@@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1)c1ccccc1[O-] ZINC000879647391 597673887 /nfs/dbraw/zinc/67/38/87/597673887.db2.gz BPMBYEPJLITKPY-AGIUHOORSA-N 0 3 340.445 1.077 20 10 EDCDHN COc1cc(C(=O)N[C@H]2CCCCN(CCCO)C2)cc(OC)n1 ZINC001034287877 709710429 /nfs/dbraw/zinc/71/04/29/709710429.db2.gz CENQUJPHYMFRJI-AWEZNQCLSA-N 0 3 337.420 1.066 20 10 EDCDHN NC(=O)N=Nc1ccc(C(=O)N[C@H]2CCCCN(CCO)C2)cc1 ZINC001034544145 710218082 /nfs/dbraw/zinc/21/80/82/710218082.db2.gz MYTBGIMCQGBFGS-AWEZNQCLSA-N 0 3 333.392 1.426 20 10 EDCDHN C[C@@H](N[C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(N(C)C)cc1 ZINC000269009914 249376448 /nfs/dbraw/zinc/37/64/48/249376448.db2.gz NFXFWTNGVPBGOY-HIFRSBDPSA-N 0 3 325.478 1.827 20 10 EDCDHN COc1ccc([O-])c([C@H](C)[N@@H+]2CCC[C@H]([C@@]3(C)NC(=O)NC3=O)C2)c1 ZINC000372588501 250222720 /nfs/dbraw/zinc/22/27/20/250222720.db2.gz BUEZPGKBQLSORA-OAVHHTNSSA-N 0 3 347.415 1.772 20 10 EDCDHN COc1ccc([O-])c([C@H](C)[N@H+]2CCC[C@H]([C@@]3(C)NC(=O)NC3=O)C2)c1 ZINC000372588501 250222723 /nfs/dbraw/zinc/22/27/23/250222723.db2.gz BUEZPGKBQLSORA-OAVHHTNSSA-N 0 3 347.415 1.772 20 10 EDCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1C[C@H](O)C[C@H]1CO ZINC000370400100 250206216 /nfs/dbraw/zinc/20/62/16/250206216.db2.gz NSZKRLYFJTUFMM-DLBZAZTESA-N 0 3 329.396 1.899 20 10 EDCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000370400100 250206219 /nfs/dbraw/zinc/20/62/19/250206219.db2.gz NSZKRLYFJTUFMM-DLBZAZTESA-N 0 3 329.396 1.899 20 10 EDCDHN CN(C)c1ccc(CN[C@@H]2CCC(=O)N[C@@H]2[C@H]2CCCO2)cc1F ZINC000377728240 250292250 /nfs/dbraw/zinc/29/22/50/250292250.db2.gz VZQZIHJBJVAALP-KYJSFNMBSA-N 0 3 335.423 1.808 20 10 EDCDHN CCN(CC)c1ccc(CNC(=O)C(C)S(C)(=O)=O)cc1F ZINC000066841553 441574146 /nfs/dbraw/zinc/57/41/46/441574146.db2.gz ZRWLQFDQZAVOAY-LLVKDONJSA-N 0 3 330.425 1.721 20 10 EDCDHN CCCN(CC(=O)NC1CCN(C(C)=O)CC1)Cc1ccccc1O ZINC000069009865 441879384 /nfs/dbraw/zinc/87/93/84/441879384.db2.gz RQWVTLKNMMWZHT-UHFFFAOYSA-N 0 3 347.459 1.731 20 10 EDCDHN CN(C)c1ccc(CNC(=O)CN(C)CC2(N(C)C)CCC2)cc1 ZINC000186941266 442633146 /nfs/dbraw/zinc/63/31/46/442633146.db2.gz PEHFGRYWJJNEEG-UHFFFAOYSA-N 0 3 332.492 1.785 20 10 EDCDHN Cc1ccc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c([O-])c1O ZINC000182829807 442831486 /nfs/dbraw/zinc/83/14/86/442831486.db2.gz JFVHXBFJQQJIMG-JKSUJKDBSA-N 0 3 348.443 1.904 20 10 EDCDHN CC(C)(C)[C@H](N)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000269250026 443250539 /nfs/dbraw/zinc/25/05/39/443250539.db2.gz OKJMXOOQUWADIA-QGZVFWFLSA-N 0 3 333.476 1.885 20 10 EDCDHN NC(=O)NC(=O)CCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000264726807 443392781 /nfs/dbraw/zinc/39/27/81/443392781.db2.gz QIMKHBYGMMEGPL-AWEZNQCLSA-N 0 3 335.404 1.348 20 10 EDCDHN NC(=O)NC(=O)CCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000264726807 443392785 /nfs/dbraw/zinc/39/27/85/443392785.db2.gz QIMKHBYGMMEGPL-AWEZNQCLSA-N 0 3 335.404 1.348 20 10 EDCDHN COc1ccc(N2CCN(CCCNCc3cnnn3C)CC2)cc1 ZINC000267487510 443474797 /nfs/dbraw/zinc/47/47/97/443474797.db2.gz CASZZAKMCODSQS-UHFFFAOYSA-N 0 3 344.463 1.126 20 10 EDCDHN O=C(NCC(F)(F)F)[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000275012758 443617982 /nfs/dbraw/zinc/61/79/82/443617982.db2.gz NRZPQUVPKXEZEU-SECBINFHSA-N 0 3 346.305 1.621 20 10 EDCDHN O=C(NCC(F)(F)F)[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000275012758 443617985 /nfs/dbraw/zinc/61/79/85/443617985.db2.gz NRZPQUVPKXEZEU-SECBINFHSA-N 0 3 346.305 1.621 20 10 EDCDHN Cc1ccc([O-])c(C[NH2+]C[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)c1 ZINC000285402527 443970978 /nfs/dbraw/zinc/97/09/78/443970978.db2.gz FGCAZVUDYJSQLP-ZFWWWQNUSA-N 0 3 326.462 1.898 20 10 EDCDHN O=C(N1CCCC1)N1CCC[C@H]([NH2+]Cc2cc3c(cc2[O-])OCO3)C1 ZINC000285475899 443998942 /nfs/dbraw/zinc/99/89/42/443998942.db2.gz KYCRGYHEYZIPJT-AWEZNQCLSA-N 0 3 347.415 1.891 20 10 EDCDHN CCCOc1ccc(C[NH2+][C@@H](CC)CNS(C)(=O)=O)c([O-])c1 ZINC000294920717 444157970 /nfs/dbraw/zinc/15/79/70/444157970.db2.gz AUBXRSLXBLATME-ZDUSSCGKSA-N 0 3 330.450 1.598 20 10 EDCDHN CCS(=O)(=O)NC1CCN(Cc2cccc(OC)c2O)CC1 ZINC000289530827 444165454 /nfs/dbraw/zinc/16/54/54/444165454.db2.gz WAHIOQQPSOWTPT-UHFFFAOYSA-N 0 3 328.434 1.305 20 10 EDCDHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)c1 ZINC000289649618 444186336 /nfs/dbraw/zinc/18/63/36/444186336.db2.gz MSSMBDMEGNFIMZ-SCLBCKFNSA-N 0 3 347.415 1.744 20 10 EDCDHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)c1 ZINC000289649618 444186337 /nfs/dbraw/zinc/18/63/37/444186337.db2.gz MSSMBDMEGNFIMZ-SCLBCKFNSA-N 0 3 347.415 1.744 20 10 EDCDHN O=S(=O)(C1CC1)N1CCC[C@@H]([NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000289732020 444196587 /nfs/dbraw/zinc/19/65/87/444196587.db2.gz HYCVKKDUBCPGGQ-CYBMUJFWSA-N 0 3 328.409 1.578 20 10 EDCDHN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)NCCN(C)C1CC1 ZINC000343286547 445180532 /nfs/dbraw/zinc/18/05/32/445180532.db2.gz MMJHDKPOOUKJHZ-UHFFFAOYSA-N 0 3 342.443 1.313 20 10 EDCDHN CCOc1cccc(CN[C@H]2CCN(c3ccn(C)n3)C2=O)c1O ZINC000360093693 445563016 /nfs/dbraw/zinc/56/30/16/445563016.db2.gz VBLNLVYTNGDUFR-ZDUSSCGKSA-N 0 3 330.388 1.420 20 10 EDCDHN CCN1CCO[C@@H](CN2CCN(Cc3cccc(OC)c3O)CC2)C1 ZINC000371380193 446818876 /nfs/dbraw/zinc/81/88/76/446818876.db2.gz QPLYEQYGDBOKAT-QGZVFWFLSA-N 0 3 349.475 1.239 20 10 EDCDHN Cn1ccnc1CN1CCCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000371419213 446843556 /nfs/dbraw/zinc/84/35/56/446843556.db2.gz SVTYGCORKMVLIS-UHFFFAOYSA-N 0 3 344.415 1.562 20 10 EDCDHN C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)c1cccc(O)c1[O-] ZINC000375678735 446969904 /nfs/dbraw/zinc/96/99/04/446969904.db2.gz MTPLCMPZEWCRFY-IPYPFGDCSA-N 0 3 334.416 1.717 20 10 EDCDHN C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)c1cccc(O)c1[O-] ZINC000375678735 446969913 /nfs/dbraw/zinc/96/99/13/446969913.db2.gz MTPLCMPZEWCRFY-IPYPFGDCSA-N 0 3 334.416 1.717 20 10 EDCDHN COc1ccc(N2CCN(CCCNCc3cn(C)nn3)CC2)cc1 ZINC000742366636 579450200 /nfs/dbraw/zinc/45/02/00/579450200.db2.gz NBFJBNZNNNMLSL-UHFFFAOYSA-N 0 3 344.463 1.126 20 10 EDCDHN COc1cc(Br)cc(C[NH2+]C[C@H]2COCCO2)c1[O-] ZINC000725846626 578288677 /nfs/dbraw/zinc/28/86/77/578288677.db2.gz JJDJRWSNSBZMPI-NSHDSACASA-N 0 3 332.194 1.668 20 10 EDCDHN COc1ccc(O)c([C@@H](C)NC(=O)NCCOCCN(C)C)c1 ZINC000788016918 578541700 /nfs/dbraw/zinc/54/17/00/578541700.db2.gz HJQFHNUVLDXVIJ-GFCCVEGCSA-N 0 3 325.409 1.339 20 10 EDCDHN COc1cc(O)c(CNC[C@H]2CCCCS2(=O)=O)cc1OC ZINC000753568781 579882934 /nfs/dbraw/zinc/88/29/34/579882934.db2.gz SVBWFMSRCXRQPE-GFCCVEGCSA-N 0 3 329.418 1.466 20 10 EDCDHN COc1ccc(N2CCN(C(=S)NCCN(C)C)CC2)cc1F ZINC000753965153 579892443 /nfs/dbraw/zinc/89/24/43/579892443.db2.gz ZXZMDYZHIANMCL-UHFFFAOYSA-N 0 3 340.468 1.392 20 10 EDCDHN COC[C@](C)(CCO)NCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000754668485 579909153 /nfs/dbraw/zinc/90/91/53/579909153.db2.gz OXDIIMUOJJBBGK-SFHVURJKSA-N 0 3 337.464 1.088 20 10 EDCDHN COc1cc(CN2CCN([C@@H]3CCCN(C)C3)CC2)c(O)cc1C ZINC000768445291 580213151 /nfs/dbraw/zinc/21/31/51/580213151.db2.gz HEFRYQWNQPKGOT-QGZVFWFLSA-N 0 3 333.476 1.921 20 10 EDCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H](Cn3ccnn3)C1)[C@@H](O)CO2 ZINC000768463672 580213952 /nfs/dbraw/zinc/21/39/52/580213952.db2.gz VOPMXFJWEWZVAP-LRDDRELGSA-N 0 3 330.388 1.322 20 10 EDCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H](Cn3ccnn3)C1)[C@@H](O)CO2 ZINC000768463672 580213953 /nfs/dbraw/zinc/21/39/53/580213953.db2.gz VOPMXFJWEWZVAP-LRDDRELGSA-N 0 3 330.388 1.322 20 10 EDCDHN OCCCCN1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000769395220 580235699 /nfs/dbraw/zinc/23/56/99/580235699.db2.gz NVMZEJWASRTBBS-UHFFFAOYSA-N 0 3 333.476 1.413 20 10 EDCDHN CC(C)N(CC(=O)N1CCN(C)CC1)Cc1ccc(N(C)C)cc1 ZINC000772174396 580304664 /nfs/dbraw/zinc/30/46/64/580304664.db2.gz HXZSDGFEAXXOAT-UHFFFAOYSA-N 0 3 332.492 1.737 20 10 EDCDHN CCN(C)c1ccc(CN2CCN(Cc3n[nH]c(C)n3)CC2)cc1 ZINC000773783469 580346056 /nfs/dbraw/zinc/34/60/56/580346056.db2.gz CVXAUUGCRQNGSP-UHFFFAOYSA-N 0 3 328.464 1.887 20 10 EDCDHN CN1CCN(c2ccc(CN3CCN(CCCCO)CC3)cc2)CC1 ZINC000775690229 580397276 /nfs/dbraw/zinc/39/72/76/580397276.db2.gz LOAGCTRTPWONPJ-UHFFFAOYSA-N 0 3 346.519 1.329 20 10 EDCDHN COCC1(O)CCN(Cc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC000775707257 580398062 /nfs/dbraw/zinc/39/80/62/580398062.db2.gz FOJWFFQZBHDALZ-UHFFFAOYSA-N 0 3 333.476 1.412 20 10 EDCDHN COC(=O)[C@H](O)C1CCN(Cc2cc(OC)c(OC)cc2O)CC1 ZINC000775741836 580399186 /nfs/dbraw/zinc/39/91/86/580399186.db2.gz RHICDDGTRBPSCN-MRXNPFEDSA-N 0 3 339.388 1.155 20 10 EDCDHN COCCCS(=O)(=O)NCCN[C@H](C)c1ccc(N(C)C)cc1 ZINC000775837931 580402313 /nfs/dbraw/zinc/40/23/13/580402313.db2.gz VMYCXAKATMWAGG-CQSZACIVSA-N 0 3 343.493 1.359 20 10 EDCDHN Cc1cccc(CNCCNS(=O)(=O)Cc2ccccc2)c1O ZINC000776042248 580406810 /nfs/dbraw/zinc/40/68/10/580406810.db2.gz PDSGVDNFCNMZNB-UHFFFAOYSA-N 0 3 334.441 1.910 20 10 EDCDHN Cc1cccc(C[NH2+]CCNS(=O)(=O)Cc2ccccc2)c1[O-] ZINC000776042248 580406811 /nfs/dbraw/zinc/40/68/11/580406811.db2.gz PDSGVDNFCNMZNB-UHFFFAOYSA-N 0 3 334.441 1.910 20 10 EDCDHN COCCO[C@H]1COCC[C@H]1NCc1ccc(N(C)C)c(F)c1 ZINC000776811898 580429411 /nfs/dbraw/zinc/42/94/11/580429411.db2.gz CNNFQJDTIZVPTG-WBVHZDCISA-N 0 3 326.412 1.802 20 10 EDCDHN CNC(=O)C1(NCc2ccc(N3CCN(C)CC3)cc2)CCCC1 ZINC000779175351 580480581 /nfs/dbraw/zinc/48/05/81/580480581.db2.gz DIGNMUHYQSSLMS-UHFFFAOYSA-N 0 3 330.476 1.587 20 10 EDCDHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000787670085 580701277 /nfs/dbraw/zinc/70/12/77/580701277.db2.gz IQGKBNSGOMUMFM-MFBWXBCUSA-N 0 3 346.427 1.823 20 10 EDCDHN O=C1C[C@]2(CCN(Cc3ccc(N4CCOCC4)c(F)c3)C2)CN1 ZINC000789766837 580752983 /nfs/dbraw/zinc/75/29/83/580752983.db2.gz AIPAYICUGVZISV-GOSISDBHSA-N 0 3 333.407 1.374 20 10 EDCDHN CC1(C)CN(Cc2cc3c(cc2O)OC[C@@H]3O)C[C@]2(CCOC2)O1 ZINC000794695497 580903276 /nfs/dbraw/zinc/90/32/76/580903276.db2.gz QZMVAGGAAPHRBA-YJBOKZPZSA-N 0 3 335.400 1.588 20 10 EDCDHN CC[C@H]1CCN1C[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000795651443 580932877 /nfs/dbraw/zinc/93/28/77/580932877.db2.gz YTJQJMIHBCIFJU-FUHWJXTLSA-N 0 3 333.476 1.662 20 10 EDCDHN COc1ccc(N2CCN(C(=O)CN[C@@H]3CSC[C@H]3C)CC2)cc1 ZINC000796403522 580953194 /nfs/dbraw/zinc/95/31/94/580953194.db2.gz SUYLMYZLXWUOPL-RHSMWYFYSA-N 0 3 349.500 1.685 20 10 EDCDHN CC[NH+]1CCN(CCC(=O)NCc2cccc(Cl)c2[O-])CC1 ZINC000890760749 590748452 /nfs/dbraw/zinc/74/84/52/590748452.db2.gz YMDWJYLZDUIDDC-UHFFFAOYSA-N 0 3 325.840 1.689 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)/C=C/c2cn(C)cn2)N(C)C)cc1 ZINC000891241253 591013084 /nfs/dbraw/zinc/01/30/84/591013084.db2.gz AAERWKWAIRCUFX-VEGGFIAOSA-N 0 3 341.459 1.918 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)CN(C)C2CCC2)N(C)C)cc1 ZINC000891248498 591017078 /nfs/dbraw/zinc/01/70/78/591017078.db2.gz NKVLTROLOCTHCP-SFHVURJKSA-N 0 3 332.492 1.956 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)/C=C/c2ccncn2)N(C)C)cc1 ZINC000891248387 591017403 /nfs/dbraw/zinc/01/74/03/591017403.db2.gz LIGBYXARAVZONS-HKMNZKMDSA-N 0 3 339.443 1.975 20 10 EDCDHN CC[C@@]1(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CCNC1=O ZINC000891248208 591017999 /nfs/dbraw/zinc/01/79/99/591017999.db2.gz WWYDTEZOUKRLET-VQIMIIECSA-N 0 3 346.475 1.388 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCNC(=O)CC2)N(C)C)cc1 ZINC000891249819 591018381 /nfs/dbraw/zinc/01/83/81/591018381.db2.gz SZYZHMQRQGVZER-DOTOQJQBSA-N 0 3 346.475 1.388 20 10 EDCDHN CCC[C@@H](NC(N)=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891253501 591021136 /nfs/dbraw/zinc/02/11/36/591021136.db2.gz TUPOPAAWGQSPIB-HZPDHXFCSA-N 0 3 349.479 1.309 20 10 EDCDHN COC[C@H]([NH2+]Cc1cc(OC)c(OC)cc1[O-])[C@H]1CCCOC1 ZINC000895854951 591288277 /nfs/dbraw/zinc/28/82/77/591288277.db2.gz OGIWWSYJWKDWIY-JSGCOSHPSA-N 0 3 325.405 1.941 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)N(C)Cc2nc[nH]n2)N(C)C)cc1 ZINC000899101962 591682620 /nfs/dbraw/zinc/68/26/20/591682620.db2.gz JHAPFTDRHJFBKY-OAHLLOKOSA-N 0 3 345.451 1.315 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)N(C)CC2CN(C)C2)N(C)C)cc1 ZINC000899098741 591687948 /nfs/dbraw/zinc/68/79/48/591687948.db2.gz RHHSWRJGARDOJB-GOSISDBHSA-N 0 3 347.507 1.558 20 10 EDCDHN COc1cc([O-])c(C[NH2+]C[C@@H]2CCN2C2CCOCC2)cc1OC ZINC000897229548 591779688 /nfs/dbraw/zinc/77/96/88/591779688.db2.gz UXAMGUZWHCRHCH-HNNXBMFYSA-N 0 3 336.432 1.752 20 10 EDCDHN CN1CCC[C@@](O)(CC(=O)NCCCSc2nccs2)C1 ZINC000900683708 592092950 /nfs/dbraw/zinc/09/29/50/592092950.db2.gz PEKQAYXONLDLFY-CQSZACIVSA-N 0 3 329.491 1.588 20 10 EDCDHN COc1cccc([C@@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2[C@@H]2CCCO2)c1[O-] ZINC000903107792 592120696 /nfs/dbraw/zinc/12/06/96/592120696.db2.gz FIRVTXTZBKNDBK-MBMVNNNZSA-N 0 3 334.416 1.878 20 10 EDCDHN CC1(C)CN(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C[C@@H]1N ZINC000911230200 592970543 /nfs/dbraw/zinc/97/05/43/592970543.db2.gz OZPMDNQFGJJLLO-INIZCTEOSA-N 0 3 344.459 1.099 20 10 EDCDHN CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cc4c(cc3[O-])OCO4)[C@@H]2C1 ZINC000808446182 593259126 /nfs/dbraw/zinc/25/91/26/593259126.db2.gz JABFKIFPVBGSAI-NWANDNLSSA-N 0 3 332.400 1.858 20 10 EDCDHN CCCCN(C)CCNC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000804031980 593382619 /nfs/dbraw/zinc/38/26/19/593382619.db2.gz ZVDFWHHSCXLESD-OAHLLOKOSA-N 0 3 348.491 1.778 20 10 EDCDHN CN(CCN)C(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000817915472 593648157 /nfs/dbraw/zinc/64/81/57/593648157.db2.gz LNFGWRWHFUEPGV-UHFFFAOYSA-N 0 3 333.432 1.471 20 10 EDCDHN COc1ccc(O)c(C[NH2+]Cc2ccc(OC)c(-c3nnn[n-]3)c2)c1 ZINC000821837148 593951465 /nfs/dbraw/zinc/95/14/65/593951465.db2.gz AEMAWTMYGBROKS-UHFFFAOYSA-N 0 3 341.371 1.879 20 10 EDCDHN COc1ccc(N2CC[C@@H](CNC(=O)NC[C@@H]3CCCN3C)C2)cc1 ZINC000823247771 594175437 /nfs/dbraw/zinc/17/54/37/594175437.db2.gz KCHOABHKBGOZNJ-RDJZCZTQSA-N 0 3 346.475 1.915 20 10 EDCDHN O=C1CC[C@H]2CN(Cc3ccc(N4CCOCC4)c(F)c3)CC[C@@H]2N1 ZINC000827133367 594646008 /nfs/dbraw/zinc/64/60/08/594646008.db2.gz UDKGICSRRWDQLW-RDJZCZTQSA-N 0 3 347.434 1.763 20 10 EDCDHN COC(=O)[C@@H]1CCC[C@H](C(=O)NC[C@H](N)c2ccc(N(C)C)cc2)C1 ZINC000832274824 594739652 /nfs/dbraw/zinc/73/96/52/594739652.db2.gz ZFNRFAPJPMLULL-UXLLHSPISA-N 0 3 347.459 1.848 20 10 EDCDHN C[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)[C@@H](C)CN1CCO ZINC000841892265 594975162 /nfs/dbraw/zinc/97/51/62/594975162.db2.gz WAFZTDDVVJJSLS-SJORKVTESA-N 0 3 333.476 1.410 20 10 EDCDHN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCC[C@H](C)[C@@H]1CN ZINC000842152359 595024373 /nfs/dbraw/zinc/02/43/73/595024373.db2.gz HKGRMDOQZOMHNM-GUYCJALGSA-N 0 3 346.475 1.263 20 10 EDCDHN CC(C)(C)N1CCCN(C(=O)C(=O)NCCc2ccc(N)cc2)CC1 ZINC000842241538 595051221 /nfs/dbraw/zinc/05/12/21/595051221.db2.gz DJNLPYQFSOWDIY-UHFFFAOYSA-N 0 3 346.475 1.260 20 10 EDCDHN COc1cccc([C@@H](C)N[C@@H]2CCN(C3CCOCC3)C2=O)c1O ZINC000846152800 595158945 /nfs/dbraw/zinc/15/89/45/595158945.db2.gz DEMCWWNRNSXQFE-IUODEOHRSA-N 0 3 334.416 1.831 20 10 EDCDHN CC(C)OC[C@H](O)CNCc1ccc(N2CCC(CO)CC2)cc1 ZINC000843064066 595278475 /nfs/dbraw/zinc/27/84/75/595278475.db2.gz FYRLVBAAGBCPAC-LJQANCHMSA-N 0 3 336.476 1.771 20 10 EDCDHN N[C@H](CC(F)F)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000844174310 595291995 /nfs/dbraw/zinc/29/19/95/595291995.db2.gz VEJICJTUYXFKRQ-OAHLLOKOSA-N 0 3 341.402 1.494 20 10 EDCDHN NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C3(N)CCCC3)cc2)C1 ZINC000844176698 595293198 /nfs/dbraw/zinc/29/31/98/595293198.db2.gz UQTVJVROYYARNJ-OAHLLOKOSA-N 0 3 344.459 1.276 20 10 EDCDHN CCNCC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000844178534 595293502 /nfs/dbraw/zinc/29/35/02/595293502.db2.gz ZKUNIVWHJGJIKA-UHFFFAOYSA-N 0 3 327.375 1.983 20 10 EDCDHN COc1ccc(N2CCN(C(=O)[C@H]3C[C@@H](C)CCN3)CC2)cc1F ZINC000844190770 595297866 /nfs/dbraw/zinc/29/78/66/595297866.db2.gz NUXMWYGFCOUKHL-XJKSGUPXSA-N 0 3 335.423 1.871 20 10 EDCDHN CN(C)CCn1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)n1 ZINC000847339357 595399380 /nfs/dbraw/zinc/39/93/80/595399380.db2.gz UCYUGYOLIABXIU-UHFFFAOYSA-N 0 3 341.459 1.975 20 10 EDCDHN CCc1cccc(C[NH2+][C@H]2CCC[C@@H]2CNS(C)(=O)=O)c1[O-] ZINC000848909514 595466405 /nfs/dbraw/zinc/46/64/05/595466405.db2.gz VPKOPMLOLBOYNJ-HIFRSBDPSA-N 0 3 326.462 1.762 20 10 EDCDHN O=C(CNC[C@H]1CCCO1)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000852868730 595588682 /nfs/dbraw/zinc/58/86/82/595588682.db2.gz LMZMBUNZUOQICI-GOSISDBHSA-N 0 3 347.459 1.033 20 10 EDCDHN Cc1cc(CNCc2ccc(N3CCS(=O)(=O)CC3)cc2)ccn1 ZINC000858135632 595709517 /nfs/dbraw/zinc/70/95/17/595709517.db2.gz AONVELYIAJJVPV-UHFFFAOYSA-N 0 3 345.468 1.915 20 10 EDCDHN CCOC(=O)C[C@@H](O)CN1CCCN(c2ccc(OC)cc2)CC1 ZINC000859085706 595971974 /nfs/dbraw/zinc/97/19/74/595971974.db2.gz BOWYLCZXUANEFL-MRXNPFEDSA-N 0 3 336.432 1.521 20 10 EDCDHN COc1ccc(N2CC[C@H](NC(=O)NC3CCN(C)CC3)C2)cc1 ZINC000852180154 596072564 /nfs/dbraw/zinc/07/25/64/596072564.db2.gz IGPKTEBYOJBRSG-HNNXBMFYSA-N 0 3 332.448 1.667 20 10 EDCDHN COc1ccc(N2CC[C@@H](NC(=O)N[C@@H]3CCCN(C)C3)C2)cc1 ZINC000852186764 596076466 /nfs/dbraw/zinc/07/64/66/596076466.db2.gz HZEYBYGOOIJLJS-HUUCEWRRSA-N 0 3 332.448 1.667 20 10 EDCDHN C[C@@H](CNC(=O)NCc1ccc(N2CCC(O)CC2)cc1)N(C)C ZINC000852372018 596139291 /nfs/dbraw/zinc/13/92/91/596139291.db2.gz PVFPXWZARHEIJP-AWEZNQCLSA-N 0 3 334.464 1.397 20 10 EDCDHN COc1ccc(N2CCN(C[C@@H](O)CN(C3CC3)C3CC3)CC2)cc1 ZINC000859626925 596151286 /nfs/dbraw/zinc/15/12/86/596151286.db2.gz HQYAWUSIQJBZLK-LJQANCHMSA-N 0 3 345.487 1.805 20 10 EDCDHN CCOc1ccc(O)c(CN2CCC(n3cc(C(N)=O)nn3)CC2)c1 ZINC000862483913 596335666 /nfs/dbraw/zinc/33/56/66/596335666.db2.gz XRUWDSNXHKYUHK-UHFFFAOYSA-N 0 3 345.403 1.318 20 10 EDCDHN CCOc1ccc([O-])c(C[NH+]2CCC(n3cc(C(N)=O)nn3)CC2)c1 ZINC000862483913 596335670 /nfs/dbraw/zinc/33/56/70/596335670.db2.gz XRUWDSNXHKYUHK-UHFFFAOYSA-N 0 3 345.403 1.318 20 10 EDCDHN CCc1cccc(CN2CCCN(C(=O)CNC(C)=O)CC2)c1O ZINC000862505911 596338806 /nfs/dbraw/zinc/33/88/06/596338806.db2.gz YHBHHVNGIWNQML-UHFFFAOYSA-N 0 3 333.432 1.125 20 10 EDCDHN CNS(=O)(=O)C[C@@H]1CCCN(Cc2cc(OC)ccc2O)C1 ZINC000862551762 596344644 /nfs/dbraw/zinc/34/46/44/596344644.db2.gz PLAKMNOHEIKGED-GFCCVEGCSA-N 0 3 328.434 1.162 20 10 EDCDHN C[C@H]1CCn2cc(C(=O)NC[C@@H](N)c3ccc(N(C)C)cc3)nc2C1 ZINC000870932457 596410756 /nfs/dbraw/zinc/41/07/56/596410756.db2.gz FQYDBOVNKROFNP-XJKSGUPXSA-N 0 3 341.459 1.961 20 10 EDCDHN CN(C)CCn1cc(C(=O)NCc2ccc3c(c2)CCCN3C)cn1 ZINC000865055167 596456930 /nfs/dbraw/zinc/45/69/30/596456930.db2.gz ZMNOQZTUOJEQCU-UHFFFAOYSA-N 0 3 341.459 1.757 20 10 EDCDHN C[C@H](CNC(=O)N[C@H](C)c1ccccc1O)CN1CCN(C)CC1 ZINC000868358905 596800237 /nfs/dbraw/zinc/80/02/37/596800237.db2.gz UHUFWWUYMQUNND-HUUCEWRRSA-N 0 3 334.464 1.636 20 10 EDCDHN COc1ccc(CNC[C@@H](O)C2CCOCC2)cc1Cn1cccn1 ZINC000873055032 597173541 /nfs/dbraw/zinc/17/35/41/597173541.db2.gz BNPJCICTBIZAIN-GOSISDBHSA-N 0 3 345.443 1.817 20 10 EDCDHN CC(=O)N1CCCN(Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876554789 597238571 /nfs/dbraw/zinc/23/85/71/597238571.db2.gz SIBQADWEJFVXRT-UHFFFAOYSA-N 0 3 331.460 1.702 20 10 EDCDHN COc1cc([O-])c(C[NH+]2CCC(CCO)(CCO)CC2)cc1OC ZINC000877692418 597548104 /nfs/dbraw/zinc/54/81/04/597548104.db2.gz ZZROBAACNHMMRO-UHFFFAOYSA-N 0 3 339.432 1.756 20 10 EDCDHN CN(C)c1ccc(CNC(=O)CN2CC[C@H](O)[C@@H]3CCCC[C@H]32)cc1 ZINC000879417856 597912460 /nfs/dbraw/zinc/91/24/60/597912460.db2.gz BCJVTXQXQCOWSB-QRVBRYPASA-N 0 3 345.487 1.994 20 10 EDCDHN COC[C@@H](O)CN[C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000129603701 597949120 /nfs/dbraw/zinc/94/91/20/597949120.db2.gz OJGGSNYIINFFGF-OCCSQVGLSA-N 0 3 328.840 1.835 20 10 EDCDHN COc1ccc(N2CC[NH+](CCC[N-]C(=O)C(F)(F)F)CC2)cc1 ZINC000101629348 237037234 /nfs/dbraw/zinc/03/72/34/237037234.db2.gz HXSPICLUANQKFS-UHFFFAOYSA-N 0 3 345.365 1.886 20 10 EDCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCN(CCN3CCOCC3)C2)c1 ZINC000359959165 201118984 /nfs/dbraw/zinc/11/89/84/201118984.db2.gz LRYWEOPPMNNJSI-HOTGVXAUSA-N 0 3 349.475 1.458 20 10 EDCDHN Cc1ccc(O)c(CN2CCN(C[C@@H]3CN(C)CCO3)C[C@@H]2C)c1 ZINC000372416134 250219035 /nfs/dbraw/zinc/21/90/35/250219035.db2.gz MRORPXHOKSAXFU-WMZOPIPTSA-N 0 3 333.476 1.537 20 10 EDCDHN COCCN1CC[C@@H](NC(=O)NCc2ccc3c(c2)CCN3C)C1 ZINC000372492845 250221026 /nfs/dbraw/zinc/22/10/26/250221026.db2.gz SSZVWBIZEDLQGF-MRXNPFEDSA-N 0 3 332.448 1.199 20 10 EDCDHN NC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1ccc(N2CCOCC2)cc1 ZINC000373737921 250243224 /nfs/dbraw/zinc/24/32/24/250243224.db2.gz MDKFGSMCRYDOQJ-NJAFHUGGSA-N 0 3 329.444 1.609 20 10 EDCDHN C[C@@H]1C[C@@H](N2CCOCC2)CN1Cc1ccc(N2CCOCC2)cc1 ZINC000377713796 250290823 /nfs/dbraw/zinc/29/08/23/250290823.db2.gz BGMVXFLQYJBWEW-YLJYHZDGSA-N 0 3 345.487 1.818 20 10 EDCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@H]2CN2CCOCC2)cc1OC ZINC000160301093 441871622 /nfs/dbraw/zinc/87/16/22/441871622.db2.gz MCEOFZOMQVDKTF-HNNXBMFYSA-N 0 3 336.432 1.706 20 10 EDCDHN COc1cc([O-])c(C[N@H+]2CCC[C@H]2CN2CCOCC2)cc1OC ZINC000160301093 441871625 /nfs/dbraw/zinc/87/16/25/441871625.db2.gz MCEOFZOMQVDKTF-HNNXBMFYSA-N 0 3 336.432 1.706 20 10 EDCDHN COc1cc(O)c(CN2CCC[C@H]2CN2CCOCC2)cc1OC ZINC000160301093 441871628 /nfs/dbraw/zinc/87/16/28/441871628.db2.gz MCEOFZOMQVDKTF-HNNXBMFYSA-N 0 3 336.432 1.706 20 10 EDCDHN COc1cc(O)c(CN2CCC(c3nncn3C)CC2)cc1OC ZINC000159788346 441838530 /nfs/dbraw/zinc/83/85/30/441838530.db2.gz KKTLPZLCVRQLKB-UHFFFAOYSA-N 0 3 332.404 1.918 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCCN(CC)CC1)cc2=O ZINC000118826993 441905362 /nfs/dbraw/zinc/90/53/62/441905362.db2.gz FOZQNNNOYQRYRM-UHFFFAOYSA-N 0 3 347.419 1.139 20 10 EDCDHN CN(C)c1ccc(CNC(=O)CN[C@@H]2CCCC[C@@H]2C(N)=O)cc1 ZINC000130659040 442352998 /nfs/dbraw/zinc/35/29/98/442352998.db2.gz YTDFNJGNUJBBSY-JKSUJKDBSA-N 0 3 332.448 1.003 20 10 EDCDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000171937237 442391385 /nfs/dbraw/zinc/39/13/85/442391385.db2.gz FLDLXVMOCJZEAH-CQSZACIVSA-N 0 3 340.379 1.481 20 10 EDCDHN C[N@H+](Cc1ccccc1[O-])C[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000171937237 442391387 /nfs/dbraw/zinc/39/13/87/442391387.db2.gz FLDLXVMOCJZEAH-CQSZACIVSA-N 0 3 340.379 1.481 20 10 EDCDHN Cc1ccc(C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c([O-])c1O ZINC000179486757 442465077 /nfs/dbraw/zinc/46/50/77/442465077.db2.gz VNNKPSLGHNJNHL-OAHLLOKOSA-N 0 3 347.459 1.648 20 10 EDCDHN Cc1ccc(C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c([O-])c1O ZINC000179486757 442465081 /nfs/dbraw/zinc/46/50/81/442465081.db2.gz VNNKPSLGHNJNHL-OAHLLOKOSA-N 0 3 347.459 1.648 20 10 EDCDHN C[C@H]([NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1)c1ccccc1[O-] ZINC000183601024 442945263 /nfs/dbraw/zinc/94/52/63/442945263.db2.gz LKSPQFATVFTUKX-UONOGXRCSA-N 0 3 342.461 1.531 20 10 EDCDHN C[C@@H](NC[C@H]1CCS(=O)(=O)C1)c1ccc(N2CCOCC2)cc1 ZINC000268776845 443104980 /nfs/dbraw/zinc/10/49/80/443104980.db2.gz WDNCMHWFYFWBJH-HUUCEWRRSA-N 0 3 338.473 1.609 20 10 EDCDHN C[C@H](N[C@@H]1CCC(=O)N[C@H]1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000282502134 443357946 /nfs/dbraw/zinc/35/79/46/443357946.db2.gz YFQAIERSJKTFNT-HEHGZKQESA-N 0 3 335.423 1.980 20 10 EDCDHN CN1C(=O)N[C@@]2(CCN(Cc3ccc(N4CCCCC4)cc3)C2)C1=O ZINC000271188337 443494815 /nfs/dbraw/zinc/49/48/15/443494815.db2.gz RLIYBCDHBBCGAS-LJQANCHMSA-N 0 3 342.443 1.803 20 10 EDCDHN CN1C(=O)N[C@]2(CCN(Cc3ccc(N4CCCCC4)cc3)C2)C1=O ZINC000271188332 443495428 /nfs/dbraw/zinc/49/54/28/443495428.db2.gz RLIYBCDHBBCGAS-IBGZPJMESA-N 0 3 342.443 1.803 20 10 EDCDHN CN(C)C1(CNC(=O)NCc2ccc(N3CCOCC3)cc2)CCC1 ZINC000275544036 443631699 /nfs/dbraw/zinc/63/16/99/443631699.db2.gz ZJVPGTHQJIQVQZ-UHFFFAOYSA-N 0 3 346.475 1.807 20 10 EDCDHN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N(C)CCN(C)C ZINC000298215556 443722105 /nfs/dbraw/zinc/72/21/05/443722105.db2.gz HQTXGHRZKBLASL-UHFFFAOYSA-N 0 3 348.491 1.510 20 10 EDCDHN COc1cc(O)c(CN2C[C@H](N3CCOCC3)C[C@H]2C)cc1OC ZINC000285061195 443841007 /nfs/dbraw/zinc/84/10/07/443841007.db2.gz IIYHJRFDOMWOHK-UKRRQHHQSA-N 0 3 336.432 1.704 20 10 EDCDHN COc1cc([O-])c(C[N@@H+]2C[C@H](N3CCOCC3)C[C@H]2C)cc1OC ZINC000285061195 443841009 /nfs/dbraw/zinc/84/10/09/443841009.db2.gz IIYHJRFDOMWOHK-UKRRQHHQSA-N 0 3 336.432 1.704 20 10 EDCDHN COc1cc([O-])c(C[N@H+]2C[C@H](N3CCOCC3)C[C@H]2C)cc1OC ZINC000285061195 443841014 /nfs/dbraw/zinc/84/10/14/443841014.db2.gz IIYHJRFDOMWOHK-UKRRQHHQSA-N 0 3 336.432 1.704 20 10 EDCDHN COc1ccc(O)c(CN(C)C[C@H](O)CNC(=O)OC(C)(C)C)c1 ZINC000294693006 444136738 /nfs/dbraw/zinc/13/67/38/444136738.db2.gz BXBGWDFCTWEWJI-CYBMUJFWSA-N 0 3 340.420 1.718 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@@H](CO)C1CCCC1)cc2=O ZINC000289565879 444173355 /nfs/dbraw/zinc/17/33/55/444173355.db2.gz PHRSKSHVKHDVTB-AWEZNQCLSA-N 0 3 348.403 1.252 20 10 EDCDHN C[C@H]([NH2+]C[C@@]1(O)CCS(=O)(=O)C1)c1cc2c(cc1[O-])CCCC2 ZINC000296654777 444245930 /nfs/dbraw/zinc/24/59/30/444245930.db2.gz ZFOJFONMENQVHM-SJCJKPOMSA-N 0 3 339.457 1.471 20 10 EDCDHN COc1ccc(O)c([C@H](C)N2CCCN(CC(=O)N(C)C)CC2)c1 ZINC000370142860 446185795 /nfs/dbraw/zinc/18/57/95/446185795.db2.gz OSNYOPTYYIWMKY-AWEZNQCLSA-N 0 3 335.448 1.558 20 10 EDCDHN CN(C)c1ccc(CN(C)C(=O)CN2CC[C@@H]3CCN(C)[C@@H]3C2)cc1 ZINC000375039456 446535958 /nfs/dbraw/zinc/53/59/58/446535958.db2.gz NANSKZLAWUMODX-PKOBYXMFSA-N 0 3 344.503 1.737 20 10 EDCDHN C[C@]1(O)CCOC[C@@H]1[C@H]1CCC[N@@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000375408078 446779239 /nfs/dbraw/zinc/77/92/39/446779239.db2.gz AJKBQGLKRRUCGD-LBTNJELSSA-N 0 3 335.400 1.873 20 10 EDCDHN C[C@]1(O)CCOC[C@@H]1[C@H]1CCC[N@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000375408078 446779243 /nfs/dbraw/zinc/77/92/43/446779243.db2.gz AJKBQGLKRRUCGD-LBTNJELSSA-N 0 3 335.400 1.873 20 10 EDCDHN COCCN1CC[C@H](NC(=O)N[C@H](C)c2cc(OC)ccc2O)C1 ZINC000736663789 579009801 /nfs/dbraw/zinc/00/98/01/579009801.db2.gz AHHMXVCWVCMMGZ-OLZOCXBDSA-N 0 3 337.420 1.482 20 10 EDCDHN COc1ccc(N2CCN(C[C@H](O)Cn3ccnc3C)CC2)cc1 ZINC000754073947 579895638 /nfs/dbraw/zinc/89/56/38/579895638.db2.gz DZJZNLUOXOGLAP-KRWDZBQOSA-N 0 3 330.432 1.383 20 10 EDCDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCCCN2CCN(C)CC2)c1 ZINC000756408487 579949656 /nfs/dbraw/zinc/94/96/56/579949656.db2.gz OOXLYKNDMNXUTA-HNNXBMFYSA-N 0 3 349.475 1.857 20 10 EDCDHN C[C@@H]([NH2+]CC(=O)N1CCN(C)CC1)c1ccc2ccccc2c1[O-] ZINC000756488277 579950908 /nfs/dbraw/zinc/95/09/08/579950908.db2.gz BXJYMGLHPFQXDS-CQSZACIVSA-N 0 3 327.428 1.970 20 10 EDCDHN [O-]c1cc2c(cc1C[NH+]1CCC(CN3CCOCC3)CC1)[C@@H](O)CO2 ZINC000768440860 580212849 /nfs/dbraw/zinc/21/28/49/580212849.db2.gz ZSIDFNUHCBPRDA-SFHVURJKSA-N 0 3 348.443 1.362 20 10 EDCDHN C[C@H](NC(=O)NC[C@H]1CN2CCC[C@@H]2CO1)c1ccc(N(C)C)cc1 ZINC000773277492 580332488 /nfs/dbraw/zinc/33/24/88/580332488.db2.gz SEZMRUWBLFXMTB-QGTPRVQTSA-N 0 3 346.475 1.976 20 10 EDCDHN COc1ccc(O)c([C@@H](C)N[C@@H](C)C(=O)N(C)CC(=O)NC2CC2)c1 ZINC000775369787 580389399 /nfs/dbraw/zinc/38/93/99/580389399.db2.gz QWONHPMBSGKMIN-NEPJUHHUSA-N 0 3 349.431 1.177 20 10 EDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCn2nc3ccccn3c2=O)c1 ZINC000775370969 580389468 /nfs/dbraw/zinc/38/94/68/580389468.db2.gz KODUPQVSNYZTBF-GFCCVEGCSA-N 0 3 328.372 1.561 20 10 EDCDHN C[C@H](NCC(=O)N1CCC2(CC1)OCCO2)c1ccc(N(C)C)cc1 ZINC000775832318 580402134 /nfs/dbraw/zinc/40/21/34/580402134.db2.gz YQQGBBFTIHLTQR-HNNXBMFYSA-N 0 3 347.459 1.769 20 10 EDCDHN CCN(CC)C[C@@H](C)NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000793792541 580856365 /nfs/dbraw/zinc/85/63/65/580856365.db2.gz HFGYTSORPXPUKP-HUUCEWRRSA-N 0 3 348.491 1.776 20 10 EDCDHN COc1ccc(CN2CCN([C@H]3CCC[C@H]3O)CC2)c(O)c1OC ZINC000891925031 590691481 /nfs/dbraw/zinc/69/14/81/590691481.db2.gz QSIWPTKRAHBRSZ-LSDHHAIUSA-N 0 3 336.432 1.440 20 10 EDCDHN COc1ccc(C[NH2+]C[C@@H]2CC[C@H](C(=O)N(C)C)O2)c([O-])c1OC ZINC000893282510 590752636 /nfs/dbraw/zinc/75/26/36/590752636.db2.gz DSVZSODGRVOWKD-GXTWGEPZSA-N 0 3 338.404 1.135 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCC(=O)N2C)N(C)C)cc1 ZINC000891243308 591013728 /nfs/dbraw/zinc/01/37/28/591013728.db2.gz LLCUVVJEAJWKFV-CVEARBPZSA-N 0 3 332.448 1.092 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)[C@]2(C)CCN(C)C2=O)N(C)C)cc1 ZINC000891245984 591015520 /nfs/dbraw/zinc/01/55/20/591015520.db2.gz LEWDNHDGIJJWDU-LPHOPBHVSA-N 0 3 346.475 1.340 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)Cc2cncc(O)c2)N(C)C)cc1 ZINC000891247007 591016370 /nfs/dbraw/zinc/01/63/70/591016370.db2.gz GKSWNTYSTVXNHS-SFHVURJKSA-N 0 3 342.443 1.815 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)COCC(F)F)N(C)C)cc1 ZINC000891248582 591017299 /nfs/dbraw/zinc/01/72/99/591017299.db2.gz ZEYBXULOABCVHT-CQSZACIVSA-N 0 3 329.391 1.753 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)CCc2cncnc2)N(C)C)cc1 ZINC000891249685 591018646 /nfs/dbraw/zinc/01/86/46/591018646.db2.gz RXFOGDWYKUWXDU-SFHVURJKSA-N 0 3 341.459 1.894 20 10 EDCDHN Cc1noc(CCC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)n1 ZINC000891252114 591019516 /nfs/dbraw/zinc/01/95/16/591019516.db2.gz GJKAWZNGZZGWAO-INIZCTEOSA-N 0 3 345.447 1.796 20 10 EDCDHN COC(=O)C[C@@H](C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891252728 591020402 /nfs/dbraw/zinc/02/04/02/591020402.db2.gz NELWXJLQTVBOOP-CZUORRHYSA-N 0 3 335.448 1.671 20 10 EDCDHN CCNC(=O)CCCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891252439 591020444 /nfs/dbraw/zinc/02/04/44/591020444.db2.gz LMFMYZJQGWYNIN-QGZVFWFLSA-N 0 3 348.491 1.778 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)CCCCNC(N)=O)N(C)C)cc1 ZINC000891255009 591022050 /nfs/dbraw/zinc/02/20/50/591022050.db2.gz MPWKNKLESTXUON-MRXNPFEDSA-N 0 3 349.479 1.310 20 10 EDCDHN COc1ccc(CN[C@@H]2CCCc3c2cnn3CCO)c(O)c1OC ZINC000892672259 591121713 /nfs/dbraw/zinc/12/17/13/591121713.db2.gz INORSEHVXSVYBY-CQSZACIVSA-N 0 3 347.415 1.765 20 10 EDCDHN CCCNC(=O)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891592853 591139583 /nfs/dbraw/zinc/13/95/83/591139583.db2.gz OHLNJTOBJPZJLD-INIZCTEOSA-N 0 3 349.479 1.181 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)NCCC(C)(C)O)N(C)C)cc1 ZINC000894295345 591269931 /nfs/dbraw/zinc/26/99/31/591269931.db2.gz REXDUIFKLUYYOR-MRXNPFEDSA-N 0 3 336.480 1.816 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)N[C@H]2C[C@H](CO)C2)N(C)C)cc1 ZINC000899095407 591676504 /nfs/dbraw/zinc/67/65/04/591676504.db2.gz JLRWXTIWRSTKFT-FRFSOERESA-N 0 3 334.464 1.425 20 10 EDCDHN C[C@H](O)CCN(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899103868 591683430 /nfs/dbraw/zinc/68/34/30/591683430.db2.gz OHUAVHDWACFRDL-YOEHRIQHSA-N 0 3 336.480 1.768 20 10 EDCDHN C[C@@H]1COCCN1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899103156 591683583 /nfs/dbraw/zinc/68/35/83/591683583.db2.gz WVAKYMJAFPZYGY-PBHICJAKSA-N 0 3 334.464 1.786 20 10 EDCDHN C/C=C/C[C@H](CO)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899105000 591684948 /nfs/dbraw/zinc/68/49/48/591684948.db2.gz UWDITUZPKDPPQV-WXYTYNPNSA-N 0 3 348.491 1.982 20 10 EDCDHN CC[C@@H](CO)N(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899098438 591688405 /nfs/dbraw/zinc/68/84/05/591688405.db2.gz OBJGZYLCTFQDEG-RDJZCZTQSA-N 0 3 336.480 1.768 20 10 EDCDHN C[C@@H]1CCN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)[C@@H]1CO ZINC000899100669 591689990 /nfs/dbraw/zinc/68/99/90/591689990.db2.gz CABHJRTZOUDJDX-FHLIZLRMSA-N 0 3 348.491 1.768 20 10 EDCDHN COc1ccc(CN[C@@H]2COCC[C@H]2OC)cc1Cn1cccn1 ZINC000897889100 591708395 /nfs/dbraw/zinc/70/83/95/591708395.db2.gz NMALXLWFTHKHOD-SJLPKXTDSA-N 0 3 331.416 1.834 20 10 EDCDHN CCOC(=O)N1C[C@@H](CO)[C@@H](NCc2ccc3c(c2)CCCO3)C1 ZINC000898348630 591881131 /nfs/dbraw/zinc/88/11/31/591881131.db2.gz QPXNJFWNAXNOFJ-HOTGVXAUSA-N 0 3 334.416 1.550 20 10 EDCDHN CC[C@@H](NC[C@@]1(OC)CCS(=O)(=O)C1)c1ccc(N(C)C)cc1 ZINC000903368287 592161085 /nfs/dbraw/zinc/16/10/85/592161085.db2.gz MPQZFIYPJDGHSZ-SJORKVTESA-N 0 3 340.489 1.997 20 10 EDCDHN CN(C)c1ccc(CN(C[C@@H](O)C[C@@]2(O)CCOC2)C2CC2)cc1 ZINC000905916226 592680787 /nfs/dbraw/zinc/68/07/87/592680787.db2.gz VGAHWMGFVXNKJR-OALUTQOASA-N 0 3 334.460 1.619 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNC(=O)[C@@]2(N)C[C@@H]2c2ccccc2)cc1 ZINC000911667367 592974094 /nfs/dbraw/zinc/97/40/94/592974094.db2.gz QIPKLJMSSVBEQS-QWFCFKBJSA-N 0 3 338.455 1.754 20 10 EDCDHN C[C@@H](CN(C)C)NC(=O)NCc1cc(Br)ccc1O ZINC000807575983 593182926 /nfs/dbraw/zinc/18/29/26/593182926.db2.gz KZFWOCCZOPIJIB-VIFPVBQESA-N 0 3 330.226 1.904 20 10 EDCDHN C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000795689519 593190414 /nfs/dbraw/zinc/19/04/14/593190414.db2.gz HWZQLLXIBMLKKS-IFIJOSMWSA-N 0 3 334.416 1.113 20 10 EDCDHN C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000795689519 593190415 /nfs/dbraw/zinc/19/04/15/593190415.db2.gz HWZQLLXIBMLKKS-IFIJOSMWSA-N 0 3 334.416 1.113 20 10 EDCDHN O=S1(=O)CCC[C@H](CNCc2ccc(N3CCOCC3)cc2)C1 ZINC000808427279 593258353 /nfs/dbraw/zinc/25/83/53/593258353.db2.gz NMKNBWLCRZIIFV-MRXNPFEDSA-N 0 3 338.473 1.438 20 10 EDCDHN C[C@@H]([NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccccc1[O-] ZINC000806170742 593431369 /nfs/dbraw/zinc/43/13/69/593431369.db2.gz BCXKQWMROFHUJX-CHWSQXEVSA-N 0 3 327.450 1.314 20 10 EDCDHN CSC[C@H](O)CNCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000818968248 593731223 /nfs/dbraw/zinc/73/12/23/593731223.db2.gz OZOLADUBZNEXNI-GDBMZVCRSA-N 0 3 337.489 1.202 20 10 EDCDHN O[C@@H](CNCc1ccc(N2CC=CC2)cc1)COC1CCOCC1 ZINC000819094767 593738576 /nfs/dbraw/zinc/73/85/76/593738576.db2.gz LRPVQQDSMTWPJJ-SFHVURJKSA-N 0 3 332.444 1.709 20 10 EDCDHN COCCCN(C)CCN1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819168553 593742356 /nfs/dbraw/zinc/74/23/56/593742356.db2.gz QNACEAQQZPXHKL-UHFFFAOYSA-N 0 3 335.404 1.125 20 10 EDCDHN COc1ccc(N2CC[C@@H](CNC(=O)N3CCCN(C)CC3)C2)cc1 ZINC000824693020 594057661 /nfs/dbraw/zinc/05/76/61/594057661.db2.gz JAKDIKAEJFCJEU-INIZCTEOSA-N 0 3 346.475 1.869 20 10 EDCDHN Cc1cc(Br)cc(C[NH2+][C@H]2CCC(=O)N(C)C2=O)c1[O-] ZINC000822520715 594061672 /nfs/dbraw/zinc/06/16/72/594061672.db2.gz MYRBSTGJAFCELC-NSHDSACASA-N 0 3 341.205 1.700 20 10 EDCDHN C[C@@H]1CN(c2ccc(CNC(=O)CNC3CC3)cc2F)C[C@H](C)O1 ZINC000827365684 594665105 /nfs/dbraw/zinc/66/51/05/594665105.db2.gz UYRFKVCEKOJBRU-BETUJISGSA-N 0 3 335.423 1.808 20 10 EDCDHN C[C@H](NC(=O)C1CCCC1)C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1 ZINC000832273318 594739568 /nfs/dbraw/zinc/73/95/68/594739568.db2.gz NHUCUKAQDNJUFB-SUMWQHHRSA-N 0 3 346.475 1.564 20 10 EDCDHN C[C@H](NC(=O)C(C)(C)C)C(=O)NC[C@H](N)c1ccc(N(C)C)cc1 ZINC000832293602 594740815 /nfs/dbraw/zinc/74/08/15/594740815.db2.gz YLTOIKFFOYQINK-WFASDCNBSA-N 0 3 334.464 1.419 20 10 EDCDHN COc1ccc(N(C)C[C@H]2CCCN(C(=O)CN)C2)cc1Cl ZINC000841011082 594838411 /nfs/dbraw/zinc/83/84/11/594838411.db2.gz CCMZXHKSKLZBPB-GFCCVEGCSA-N 0 3 325.840 1.982 20 10 EDCDHN C[C@@H](CNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)N(C)C ZINC000836256634 594943790 /nfs/dbraw/zinc/94/37/90/594943790.db2.gz SNLJKPZWZBZNIU-GJZGRUSLSA-N 0 3 334.464 1.834 20 10 EDCDHN COc1cc(Cl)cc(CN2C[C@H](C)N(CCO)C[C@@H]2C)c1O ZINC000841890405 594974892 /nfs/dbraw/zinc/97/48/92/594974892.db2.gz AKRKGSLDPDPDPE-RYUDHWBXSA-N 0 3 328.840 1.941 20 10 EDCDHN CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H](CN)CC(C)C)cc1 ZINC000842207100 595038919 /nfs/dbraw/zinc/03/89/19/595038919.db2.gz KLXSYUKESLUZKQ-INIZCTEOSA-N 0 3 348.491 1.639 20 10 EDCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H](CN)CC(C)C ZINC000842244940 595053292 /nfs/dbraw/zinc/05/32/92/595053292.db2.gz NFGRDYOFHJUCCI-MRXNPFEDSA-N 0 3 348.491 1.591 20 10 EDCDHN COC(=O)c1ccc(C(=O)NC[C@H](N)c2ccc(N(C)C)cc2)cn1 ZINC000843299135 595066738 /nfs/dbraw/zinc/06/67/38/595066738.db2.gz SMLSBHCKQJPRIN-HNNXBMFYSA-N 0 3 342.399 1.364 20 10 EDCDHN CNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2cccc(OC)c2O)C1 ZINC000843431943 595109547 /nfs/dbraw/zinc/10/95/47/595109547.db2.gz FIPSPPPLKMVEFW-CQSZACIVSA-N 0 3 332.322 1.901 20 10 EDCDHN COc1cccc([C@@H](C)[NH2+][C@@H]2CCCN(S(C)(=O)=O)C2)c1[O-] ZINC000846142452 595155530 /nfs/dbraw/zinc/15/55/30/595155530.db2.gz TZZGVEIRKUDEMW-VXGBXAGGSA-N 0 3 328.434 1.475 20 10 EDCDHN COc1cccc([C@@H](C)N[C@@H]2CCCN(S(C)(=O)=O)C2)c1O ZINC000846142452 595155532 /nfs/dbraw/zinc/15/55/32/595155532.db2.gz TZZGVEIRKUDEMW-VXGBXAGGSA-N 0 3 328.434 1.475 20 10 EDCDHN COc1cccc([C@H](C)[NH2+][C@@H]2CCN(CCN3CCOCC3)C2)c1[O-] ZINC000846147990 595156897 /nfs/dbraw/zinc/15/68/97/595156897.db2.gz WJEYQBSSYPSHFJ-JKSUJKDBSA-N 0 3 349.475 1.458 20 10 EDCDHN CN(C)c1ccc(/C=C\CN(C)C[C@H](O)CN2CCOCC2)cc1 ZINC000835026406 595247558 /nfs/dbraw/zinc/24/75/58/595247558.db2.gz TUBCSVWIBGUFHW-HMECNJMJSA-N 0 3 333.476 1.391 20 10 EDCDHN Cc1[nH]nc2ncc(C(=O)NC[C@@H](N)c3ccc(N(C)C)cc3)cc12 ZINC000844162596 595287910 /nfs/dbraw/zinc/28/79/10/595287910.db2.gz JHKIEJORSOLASP-MRXNPFEDSA-N 0 3 338.415 1.762 20 10 EDCDHN CN1CCCc2cc(CNC(=O)N3CCN4C[C@H](O)C[C@H]4C3)ccc21 ZINC000847304066 595391359 /nfs/dbraw/zinc/39/13/59/595391359.db2.gz ZAKSQBHOMYCBQU-DLBZAZTESA-N 0 3 344.459 1.029 20 10 EDCDHN Cc1cc(N(C)C)ccc1CNC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000847318397 595394885 /nfs/dbraw/zinc/39/48/85/595394885.db2.gz IKXIGTPUTQAFOH-DLBZAZTESA-N 0 3 332.448 1.021 20 10 EDCDHN C[C@H]1CCN(CC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C1 ZINC000847506365 595437154 /nfs/dbraw/zinc/43/71/54/595437154.db2.gz AMVNCXGEWYUVBG-INIZCTEOSA-N 0 3 345.487 1.853 20 10 EDCDHN COc1ccc(CNC(=[NH2+])N2CCN(c3ncccn3)CC2)c([O-])c1 ZINC000849095631 595481020 /nfs/dbraw/zinc/48/10/20/595481020.db2.gz GLFBVXIDVNQBSY-UHFFFAOYSA-N 0 3 342.403 1.037 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)[C@H]2CCn3ccnc3C2)cc1 ZINC000857843980 595630365 /nfs/dbraw/zinc/63/03/65/595630365.db2.gz AVQRCCYIWLOHRR-HOCLYGCPSA-N 0 3 327.432 1.328 20 10 EDCDHN COc1ccc(N2CC[C@@H](NC(=O)CNC[C@H]3CCCO3)C2)cc1 ZINC000851639521 595864346 /nfs/dbraw/zinc/86/43/46/595864346.db2.gz HBFUKKYMUIDXDS-RHSMWYFYSA-N 0 3 333.432 1.159 20 10 EDCDHN CCOC(=O)[C@@H]1NCC[C@H]1NCc1ccc(N2CCC(O)CC2)cc1 ZINC000854230464 596008828 /nfs/dbraw/zinc/00/88/28/596008828.db2.gz QUNMMVDPUHLNPB-QZTJIDSGSA-N 0 3 347.459 1.031 20 10 EDCDHN CC(=O)c1cc(F)cc(CN2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1[O-] ZINC000852708589 596231355 /nfs/dbraw/zinc/23/13/55/596231355.db2.gz FPZSLMUIMICWGN-INIZCTEOSA-N 0 3 336.407 1.765 20 10 EDCDHN CC(=O)c1cc(F)cc(CN2CCC([N@H+]3CC[C@H](O)C3)CC2)c1[O-] ZINC000852708589 596231356 /nfs/dbraw/zinc/23/13/56/596231356.db2.gz FPZSLMUIMICWGN-INIZCTEOSA-N 0 3 336.407 1.765 20 10 EDCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@@]23COCCN2C(=O)COC3)c([O-])c1 ZINC000866551527 596247120 /nfs/dbraw/zinc/24/71/20/596247120.db2.gz APXQEPCHZGBLBR-KSSFIOAISA-N 0 3 334.416 1.287 20 10 EDCDHN CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2cc3c(cc2[O-])CCC3)C1 ZINC000863339678 596556148 /nfs/dbraw/zinc/55/61/48/596556148.db2.gz FIJQHKFXCWNYEJ-ZDUSSCGKSA-N 0 3 338.473 1.642 20 10 EDCDHN CNS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])CCC3)C1 ZINC000863339678 596556151 /nfs/dbraw/zinc/55/61/51/596556151.db2.gz FIJQHKFXCWNYEJ-ZDUSSCGKSA-N 0 3 338.473 1.642 20 10 EDCDHN CN1CCCc2cc(CNC[C@@H](O)CC3(O)CCOCC3)ccc21 ZINC000872198929 596831482 /nfs/dbraw/zinc/83/14/82/596831482.db2.gz CXAFGSIMRJEFDU-KRWDZBQOSA-N 0 3 334.460 1.451 20 10 EDCDHN CC(C)(O)C[C@@H](O)CNCc1ccc(N2CCC(CO)CC2)cc1 ZINC000872213505 596838492 /nfs/dbraw/zinc/83/84/92/596838492.db2.gz QKYHEVHTVGHHDM-GOSISDBHSA-N 0 3 336.476 1.507 20 10 EDCDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)N[C@@H](C)c1ccccc1O ZINC000868509158 596865823 /nfs/dbraw/zinc/86/58/23/596865823.db2.gz BFDJSRUACKSTRD-GJZGRUSLSA-N 0 3 334.464 1.778 20 10 EDCDHN COc1ccc(CN[C@H]2CCC(=O)N(C)C2)cc1Cn1cccn1 ZINC000873056208 597174007 /nfs/dbraw/zinc/17/40/07/597174007.db2.gz BXUXZYCLWMLWAU-INIZCTEOSA-N 0 3 328.416 1.650 20 10 EDCDHN Cc1cn2c(n1)C[C@@H](C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1)CC2 ZINC000876506584 597224405 /nfs/dbraw/zinc/22/44/05/597224405.db2.gz MANUHCGHTDYDSK-DOTOQJQBSA-N 0 3 341.459 1.636 20 10 EDCDHN Cc1ccc(C[N@@H+]2CCCC[C@H]2CCNS(C)(=O)=O)c([O-])c1 ZINC000876593798 597254025 /nfs/dbraw/zinc/25/40/25/597254025.db2.gz XZEYPOLRPCTMOI-HNNXBMFYSA-N 0 3 326.462 1.994 20 10 EDCDHN Cc1ccc(C[N@H+]2CCCC[C@H]2CCNS(C)(=O)=O)c([O-])c1 ZINC000876593798 597254027 /nfs/dbraw/zinc/25/40/27/597254027.db2.gz XZEYPOLRPCTMOI-HNNXBMFYSA-N 0 3 326.462 1.994 20 10 EDCDHN O=C1O[C@@H](CNCc2ccc(N3CCC(O)CC3)cc2)CN1C1CC1 ZINC000877621690 597542211 /nfs/dbraw/zinc/54/22/11/597542211.db2.gz UMZKGNORBZMEHH-SFHVURJKSA-N 0 3 345.443 1.721 20 10 EDCDHN CN(Cc1ccc(N2CCC(O)CC2)cc1)[C@@H]1CCC(=O)N(C)C1 ZINC000877649464 597544890 /nfs/dbraw/zinc/54/48/90/597544890.db2.gz XSTYBCSDGUDDEM-QGZVFWFLSA-N 0 3 331.460 1.700 20 10 EDCDHN CN(C)c1cc(F)c(CN2C[C@]3(C)C(=O)NC(=O)[C@@]3(C)C2)cc1F ZINC000877667435 597546307 /nfs/dbraw/zinc/54/63/07/597546307.db2.gz GTWFCFPRQWNMLG-IAGOWNOFSA-N 0 3 337.370 1.515 20 10 EDCDHN C[C@H]([NH2+]CC(=O)NC1CCC2(CC1)OCCO2)c1ccccc1[O-] ZINC000879651442 597674498 /nfs/dbraw/zinc/67/44/98/597674498.db2.gz VZKXAKUPGMBTDM-ZDUSSCGKSA-N 0 3 334.416 1.845 20 10 EDCDHN CN(C)c1ccc(CN2CCC[C@H]2CNC(=O)c2cnn(C)c2)cc1 ZINC000879189601 597844714 /nfs/dbraw/zinc/84/47/14/597844714.db2.gz MZHQHTDZDXWULJ-SFHVURJKSA-N 0 3 341.459 1.881 20 10 EDCDHN COc1cc(CNC[C@H](O)CS(C)(=O)=O)c(O)c(C(C)(C)C)c1 ZINC000922826233 704389505 /nfs/dbraw/zinc/38/95/05/704389505.db2.gz WSZOCVQZXWNGSO-LBPRGKRZSA-N 0 3 345.461 1.193 20 10 EDCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCN(CCN3CCOCC3)C2)c1 ZINC000359959167 201119192 /nfs/dbraw/zinc/11/91/92/201119192.db2.gz LRYWEOPPMNNJSI-HZPDHXFCSA-N 0 3 349.475 1.458 20 10 EDCDHN C[C@@H](O)[C@H]1CCCCN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000264478272 249336692 /nfs/dbraw/zinc/33/66/92/249336692.db2.gz ZINZIVICUVPHNC-CRAIPNDOSA-N 0 3 333.476 1.946 20 10 EDCDHN Cc1c2ccccc2n(C)c1CNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000352118212 250073462 /nfs/dbraw/zinc/07/34/62/250073462.db2.gz AEXZGAUJMQULOD-SFHVURJKSA-N 0 3 326.444 1.493 20 10 EDCDHN [O-]c1cc2c(cc1CN1CCC[N@@H+](C3CCOCC3)CC1)OCO2 ZINC000361464582 250174330 /nfs/dbraw/zinc/17/43/30/250174330.db2.gz SJBQEEGQTOYPLP-UHFFFAOYSA-N 0 3 334.416 1.808 20 10 EDCDHN [O-]c1cc2c(cc1CN1CCC[N@H+](C3CCOCC3)CC1)OCO2 ZINC000361464582 250174336 /nfs/dbraw/zinc/17/43/36/250174336.db2.gz SJBQEEGQTOYPLP-UHFFFAOYSA-N 0 3 334.416 1.808 20 10 EDCDHN O=S1(=O)CC[C@@H]([NH2+]C2CCN(Cc3cc(F)ccc3[O-])CC2)C1 ZINC000372811197 250225965 /nfs/dbraw/zinc/22/59/65/250225965.db2.gz BUSZPRYPFUONNS-OAHLLOKOSA-N 0 3 342.436 1.272 20 10 EDCDHN O[C@@H]1CCC[C@@H]1N1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000378351628 447420943 /nfs/dbraw/zinc/42/09/43/447420943.db2.gz WYXVGLZZGFVXQD-VQTJNVASSA-N 0 3 345.487 1.554 20 10 EDCDHN CS(=O)(=O)Nc1ccc(OCC[NH2+]Cc2ccccc2[O-])cc1 ZINC000180353333 442585128 /nfs/dbraw/zinc/58/51/28/442585128.db2.gz HKVUCVDUKGPMJQ-UHFFFAOYSA-N 0 3 336.413 1.932 20 10 EDCDHN COc1ccc(O)c([C@@H](C)N[C@@H]2CCCN(c3cnn(C)c3)C2=O)c1 ZINC000182466163 442771043 /nfs/dbraw/zinc/77/10/43/442771043.db2.gz JZQVQWRVKISSOE-MLGOLLRUSA-N 0 3 344.415 1.981 20 10 EDCDHN COc1cc(Cl)cc(C[N@H+](CCO)C2CCN(C)CC2)c1[O-] ZINC000184670332 443056773 /nfs/dbraw/zinc/05/67/73/443056773.db2.gz WDCIMNMHMMJPTP-UHFFFAOYSA-N 0 3 328.840 1.943 20 10 EDCDHN COc1cc(Cl)cc(C[N@@H+](CCO)C2CCN(C)CC2)c1[O-] ZINC000184670332 443056778 /nfs/dbraw/zinc/05/67/78/443056778.db2.gz WDCIMNMHMMJPTP-UHFFFAOYSA-N 0 3 328.840 1.943 20 10 EDCDHN COc1cccc(CN2CCC[C@H](CNS(C)(=O)=O)C2)c1O ZINC000269507744 443330182 /nfs/dbraw/zinc/33/01/82/443330182.db2.gz RYMXVTHRVRDZRH-GFCCVEGCSA-N 0 3 328.434 1.162 20 10 EDCDHN CC(C)[C@H](N)C(=O)NCC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000271139888 443492844 /nfs/dbraw/zinc/49/28/44/443492844.db2.gz UMTXZHBFXFOELH-KRWDZBQOSA-N 0 3 332.448 1.003 20 10 EDCDHN COc1cc(O)c(CN2CCC(N3CCNC3=O)CC2)cc1OC ZINC000271073302 443489784 /nfs/dbraw/zinc/48/97/84/443489784.db2.gz FXXJNEXPTSPMFJ-UHFFFAOYSA-N 0 3 335.404 1.399 20 10 EDCDHN COc1cc(O)c(CN2CCC[C@@](O)(Cn3ccnn3)C2)cc1OC ZINC000284912965 443793970 /nfs/dbraw/zinc/79/39/70/443793970.db2.gz BZSLWJHHULFGTJ-KRWDZBQOSA-N 0 3 348.403 1.028 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@@](C)(COC)C1)cc2=O ZINC000296898578 444261588 /nfs/dbraw/zinc/26/15/88/444261588.db2.gz VSZXZNVTXPKLST-QGZVFWFLSA-N 0 3 348.403 1.470 20 10 EDCDHN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@]1(F)CCNC1 ZINC000370763632 446422941 /nfs/dbraw/zinc/42/29/41/446422941.db2.gz NBNJJICSYQNFDO-SFHVURJKSA-N 0 3 335.423 1.213 20 10 EDCDHN CN1CC[C@]2(CCN(c3cc4c(cc3[N+](=O)[O-])OCC(=O)N4)C2)C1 ZINC000368305300 446772984 /nfs/dbraw/zinc/77/29/84/446772984.db2.gz UKKVFCCUZAYRSV-INIZCTEOSA-N 0 3 332.360 1.458 20 10 EDCDHN COc1cccc(CN2CCCN(Cc3nccn3C)CC2)c1O ZINC000371418001 446841776 /nfs/dbraw/zinc/84/17/76/446841776.db2.gz XXOCBLUSCVVFAX-UHFFFAOYSA-N 0 3 330.432 1.842 20 10 EDCDHN C[C@H](NC(=O)NC[C@@H]1CCCN1C)c1ccc(N2CCOCC2)cc1 ZINC000726243084 578337566 /nfs/dbraw/zinc/33/75/66/578337566.db2.gz FPYMJKOOLQFECP-YJBOKZPZSA-N 0 3 346.475 1.978 20 10 EDCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCOCCN(C)C ZINC000788014516 578528168 /nfs/dbraw/zinc/52/81/68/578528168.db2.gz SSJKNOKDHZKLOF-UHFFFAOYSA-N 0 3 336.480 1.862 20 10 EDCDHN CCN(CC)c1ccc(CN(C)Cc2cn(C)c(=O)n(C)c2=O)cc1 ZINC000768209046 580208911 /nfs/dbraw/zinc/20/89/11/580208911.db2.gz XYAGCLXZIPCNAI-UHFFFAOYSA-N 0 3 344.459 1.562 20 10 EDCDHN CC(C)(C)OC(=O)[C@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768463345 580213886 /nfs/dbraw/zinc/21/38/86/580213886.db2.gz HHTNPWQEWZVJKF-XHDPSFHLSA-N 0 3 335.400 1.982 20 10 EDCDHN CC(C)(C)OC(=O)[C@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768463345 580213887 /nfs/dbraw/zinc/21/38/87/580213887.db2.gz HHTNPWQEWZVJKF-XHDPSFHLSA-N 0 3 335.400 1.982 20 10 EDCDHN COc1cccc(CN(CCO)CCNC(=O)OC(C)(C)C)c1O ZINC000768533515 580215512 /nfs/dbraw/zinc/21/55/12/580215512.db2.gz SSODJEKFONLTNH-UHFFFAOYSA-N 0 3 340.420 1.720 20 10 EDCDHN C[C@@H](Cn1cccn1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000769518323 580238979 /nfs/dbraw/zinc/23/89/79/580238979.db2.gz WTMDMJFZIXENQL-HNNXBMFYSA-N 0 3 348.472 1.296 20 10 EDCDHN CN1CCN(c2ccc(CN3CCN4C(=O)CC[C@@H]4C3)cc2)CC1 ZINC000775667274 580396678 /nfs/dbraw/zinc/39/66/78/580396678.db2.gz HMEMDOOJTYIFIV-GOSISDBHSA-N 0 3 328.460 1.245 20 10 EDCDHN CN1CCN(c2ccc(CN3CCO[C@H]([C@@H]4CCCO4)C3)cc2)CC1 ZINC000775736607 580399107 /nfs/dbraw/zinc/39/91/07/580399107.db2.gz CBPHXWPWRZGGAT-PMACEKPBSA-N 0 3 345.487 1.818 20 10 EDCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000779196861 580480858 /nfs/dbraw/zinc/48/08/58/580480858.db2.gz ZYYMOSBOJRVLSP-SNVBAGLBSA-N 0 3 332.322 1.901 20 10 EDCDHN COc1cccc([O-])c1C[N@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000779196861 580480859 /nfs/dbraw/zinc/48/08/59/580480859.db2.gz ZYYMOSBOJRVLSP-SNVBAGLBSA-N 0 3 332.322 1.901 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCC[C@@]1(CC)CO)cc2=O ZINC000784387550 580620016 /nfs/dbraw/zinc/62/00/16/580620016.db2.gz FBFDXDKPUQJRBO-KRWDZBQOSA-N 0 3 348.403 1.349 20 10 EDCDHN COCCn1cc(CNCc2ccc(N3CCN(C)CC3)cc2)cn1 ZINC000800284931 581049705 /nfs/dbraw/zinc/04/97/05/581049705.db2.gz DBBMTGQDXXXIAP-UHFFFAOYSA-N 0 3 343.475 1.571 20 10 EDCDHN Cn1nccc1[C@@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000800860595 581060117 /nfs/dbraw/zinc/06/01/17/581060117.db2.gz VQKRYSCQPWJQNO-PXAZEXFGSA-N 0 3 329.400 1.931 20 10 EDCDHN Cn1nccc1[C@@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000800860595 581060118 /nfs/dbraw/zinc/06/01/18/581060118.db2.gz VQKRYSCQPWJQNO-PXAZEXFGSA-N 0 3 329.400 1.931 20 10 EDCDHN COc1ccc(CNC[C@](C)(O)C(=O)OC(C)(C)C)c(O)c1OC ZINC000893609369 591006907 /nfs/dbraw/zinc/00/69/07/591006907.db2.gz QGUVWNJMHSDEMX-KRWDZBQOSA-N 0 3 341.404 1.592 20 10 EDCDHN C[C@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)n1cncn1 ZINC000891247196 591016351 /nfs/dbraw/zinc/01/63/51/591016351.db2.gz GWUDUONCDHHNCM-CZUORRHYSA-N 0 3 330.436 1.324 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)[C@H]2CSC(=O)N2)N(C)C)cc1 ZINC000891255213 591021698 /nfs/dbraw/zinc/02/16/98/591021698.db2.gz NUHPQUDKVBPNDS-KGLIPLIRSA-N 0 3 336.461 1.297 20 10 EDCDHN COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H]4CN(C)C[C@@H]43)C2)cc1 ZINC000895651413 591243760 /nfs/dbraw/zinc/24/37/60/591243760.db2.gz YJJGRBYRTHYWQA-MPGHIAIKSA-N 0 3 344.459 1.619 20 10 EDCDHN CCc1cccc(C[NH2+]CCc2nnc3c(=O)n(C)ccn23)c1[O-] ZINC000895789971 591273062 /nfs/dbraw/zinc/27/30/62/591273062.db2.gz RJMQGDDCZHWNMS-UHFFFAOYSA-N 0 3 327.388 1.028 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)NCC2(CO)CC2)N(C)C)cc1 ZINC000899102598 591682399 /nfs/dbraw/zinc/68/23/99/591682399.db2.gz REHNUCFGJMNWJT-INIZCTEOSA-N 0 3 334.464 1.427 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)N(C)[C@H]2CCOC2)N(C)C)cc1 ZINC000899103356 591683569 /nfs/dbraw/zinc/68/35/69/591683569.db2.gz ZXYRGVDRVQPOFS-IRXDYDNUSA-N 0 3 334.464 1.786 20 10 EDCDHN C[C@H](O)CCCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899104624 591684327 /nfs/dbraw/zinc/68/43/27/591684327.db2.gz RQJKWHWKRAUEKB-YOEHRIQHSA-N 0 3 336.480 1.816 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)N2C[C@H]3C[C@@]3(CO)C2)N(C)C)cc1 ZINC000899101218 591690066 /nfs/dbraw/zinc/69/00/66/591690066.db2.gz GJIXDAMOWMRTTG-AYBZRNKSSA-N 0 3 346.475 1.379 20 10 EDCDHN COCCN1CC(=O)N(C[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1=O ZINC000900185345 591932695 /nfs/dbraw/zinc/93/26/95/591932695.db2.gz KLYFZFKAWZSFFA-INIZCTEOSA-N 0 3 348.447 1.266 20 10 EDCDHN O=C(NCc1ccc(N2CCN(CC3CC3)CC2)cc1)OC1COC1 ZINC000902915084 592080681 /nfs/dbraw/zinc/08/06/81/592080681.db2.gz SRQGIYXGGBZXQJ-UHFFFAOYSA-N 0 3 345.443 1.844 20 10 EDCDHN CN(C)CCn1nccc1C(=O)NCCCSc1nccs1 ZINC000900681920 592092907 /nfs/dbraw/zinc/09/29/07/592092907.db2.gz BYSDFQQXCMWSTG-UHFFFAOYSA-N 0 3 339.490 1.813 20 10 EDCDHN CO[C@]1(C[NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)CCS(=O)(=O)C1 ZINC000903367128 592160848 /nfs/dbraw/zinc/16/08/48/592160848.db2.gz XSXFKDXUOUXJEK-IETSOEAISA-N 0 3 343.420 1.873 20 10 EDCDHN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccnn1CCN(C)C ZINC000907271451 592567198 /nfs/dbraw/zinc/56/71/98/592567198.db2.gz ARZJBNWWGLMZCE-GFCCVEGCSA-N 0 3 332.404 1.217 20 10 EDCDHN Oc1cc2c(cc1CN1CCC(Oc3cnccn3)CC1)[C@@H](O)CO2 ZINC000782893214 593129550 /nfs/dbraw/zinc/12/95/50/593129550.db2.gz DNEZVPGDYDEFLU-INIZCTEOSA-N 0 3 343.383 1.651 20 10 EDCDHN CC(C)N(CCN1C(=O)N[C@H](C)C1=O)Cc1ccc(N(C)C)cc1 ZINC000838793180 593212650 /nfs/dbraw/zinc/21/26/50/593212650.db2.gz IJOQFQAVGXFMHD-CQSZACIVSA-N 0 3 332.448 1.903 20 10 EDCDHN CN(C)c1ccc(CN(C)C(=O)CN[C@@H](CO)[C@H]2CCCOC2)cc1 ZINC000839646549 593363438 /nfs/dbraw/zinc/36/34/38/593363438.db2.gz JMXBWRHSIOSJKD-WMZOPIPTSA-N 0 3 349.475 1.088 20 10 EDCDHN COC(=O)[C@@H]1CSCCN(Cc2cc(OC)c(OC)cc2O)C1 ZINC000840186245 593364853 /nfs/dbraw/zinc/36/48/53/593364853.db2.gz MJPMKCKTODSPSB-LBPRGKRZSA-N 0 3 341.429 1.747 20 10 EDCDHN CCS(=O)(=O)N1CCC(C[NH2+]Cc2c([O-])cccc2OC)CC1 ZINC000758054652 593392164 /nfs/dbraw/zinc/39/21/64/593392164.db2.gz HNUCDBRRROCXIF-UHFFFAOYSA-N 0 3 342.461 1.552 20 10 EDCDHN CC(C)(C)OC(=O)NCC[C@H](O)CNCc1ccc2c(c1)CCO2 ZINC000818996720 593732944 /nfs/dbraw/zinc/73/29/44/593732944.db2.gz JWKDJKCPSKMOON-HNNXBMFYSA-N 0 3 336.432 1.987 20 10 EDCDHN C[C@@H]1C[C@@H](NCc2ccc(N3CCS(=O)(=O)CC3)cc2)[C@@H](C)O1 ZINC000823850459 593872882 /nfs/dbraw/zinc/87/28/82/593872882.db2.gz DMQIKUHMPVVBMR-CKEIUWERSA-N 0 3 338.473 1.577 20 10 EDCDHN COc1cc(CN2CCN3C[C@H](O)C[C@H]3C2)c(O)c(C(C)(C)C)c1 ZINC000826535459 594521121 /nfs/dbraw/zinc/52/11/21/594521121.db2.gz XJMLJJDBTDVSJF-LSDHHAIUSA-N 0 3 334.460 1.949 20 10 EDCDHN CC[C@@H](C)[C@H](N)C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000829500126 594626662 /nfs/dbraw/zinc/62/66/62/594626662.db2.gz HZQVSSNETCITMO-QAPCUYQASA-N 0 3 348.491 1.307 20 10 EDCDHN O=C1CC[C@H]2CN(Cc3ccc(N4CCOCC4)c(F)c3)CC[C@H]2N1 ZINC000827133365 594645904 /nfs/dbraw/zinc/64/59/04/594645904.db2.gz UDKGICSRRWDQLW-DOTOQJQBSA-N 0 3 347.434 1.763 20 10 EDCDHN COc1ccc(N2CC[C@@H](CNC(=O)[C@H](N)CC(F)F)C2)cc1 ZINC000831748771 594699134 /nfs/dbraw/zinc/69/91/34/594699134.db2.gz MXIOIHYDMQZHQF-SMDDNHRTSA-N 0 3 327.375 1.620 20 10 EDCDHN CC[C@@H](C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1)N1CCCC1=O ZINC000832274510 594739654 /nfs/dbraw/zinc/73/96/54/594739654.db2.gz UPXZBMSGUJKDPB-CVEARBPZSA-N 0 3 332.448 1.270 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)CCn2cc(Cl)cn2)cc1 ZINC000832280544 594739996 /nfs/dbraw/zinc/73/99/96/594739996.db2.gz PJVOUEIAXJIJIJ-HNNXBMFYSA-N 0 3 335.839 1.809 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)c2ccc3nnn(C)c3c2)cc1 ZINC000832284565 594740266 /nfs/dbraw/zinc/74/02/66/594740266.db2.gz KSMPWUVKGRCATH-HNNXBMFYSA-N 0 3 338.415 1.464 20 10 EDCDHN CCN(CC)c1ccc(CN(C)C(=O)NC[C@H]2CNCCO2)cc1 ZINC000842010433 595001946 /nfs/dbraw/zinc/00/19/46/595001946.db2.gz HHDDPNPVGALLQA-QGZVFWFLSA-N 0 3 334.464 1.663 20 10 EDCDHN CCCC[C@@H](CN)NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000842216058 595042101 /nfs/dbraw/zinc/04/21/01/595042101.db2.gz ZKQZEQPWLCGIGE-INIZCTEOSA-N 0 3 346.475 1.537 20 10 EDCDHN CN(C)c1ccc(CN(C(=O)C(=O)N[C@@H](CN)C2CC2)C2CC2)cc1 ZINC000842255820 595056519 /nfs/dbraw/zinc/05/65/19/595056519.db2.gz FOBIMRMJJWWADK-KRWDZBQOSA-N 0 3 344.459 1.097 20 10 EDCDHN CCCC[C@@H](CN)NC(=O)C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000842267927 595061119 /nfs/dbraw/zinc/06/11/19/595061119.db2.gz ZTUPCLJKDISJQC-INIZCTEOSA-N 0 3 348.491 1.735 20 10 EDCDHN CC(=O)c1cc(Cl)cc(CN(C)CCN2CC[NH2+]CC2)c1[O-] ZINC000843349013 595083128 /nfs/dbraw/zinc/08/31/28/595083128.db2.gz CTOLISDEHWSILU-UHFFFAOYSA-N 0 3 325.840 1.585 20 10 EDCDHN COc1cccc([C@H](C)[NH2+]C[C@H]2CCCN2S(C)(=O)=O)c1[O-] ZINC000846158210 595161065 /nfs/dbraw/zinc/16/10/65/595161065.db2.gz UXBLYGXYEKADRE-NWDGAFQWSA-N 0 3 328.434 1.475 20 10 EDCDHN COc1cccc([C@@H](C)[NH2+]C[C@H]2CCCCN2S(C)(=O)=O)c1[O-] ZINC000846173650 595164769 /nfs/dbraw/zinc/16/47/69/595164769.db2.gz UNSHBSQDLOURHY-CHWSQXEVSA-N 0 3 342.461 1.866 20 10 EDCDHN C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3cccc([O-])c32)C(=O)N1c1cnn(C)c1 ZINC000834724904 595198965 /nfs/dbraw/zinc/19/89/65/595198965.db2.gz DYYDOYSLPBCKOA-KCPJHIHWSA-N 0 3 326.400 1.897 20 10 EDCDHN COc1ccc(N2CC[C@@H](COC(=O)C3CCN(C)C3=O)C2)cc1 ZINC000842876792 595223041 /nfs/dbraw/zinc/22/30/41/595223041.db2.gz XINDQEMXWQWLAU-CZUORRHYSA-N 0 3 332.400 1.543 20 10 EDCDHN C[C@@H](NC[C@]1(C)CCC(=O)N1)c1ccc(N2CCOCC2)c(F)c1 ZINC000834909495 595237843 /nfs/dbraw/zinc/23/78/43/595237843.db2.gz SAWDCSXZPSOBSU-ACJLOTCBSA-N 0 3 335.423 1.982 20 10 EDCDHN CC(C)NS(=O)(=O)NCCNC/C=C/c1ccc(N(C)C)cc1 ZINC000835048943 595253262 /nfs/dbraw/zinc/25/32/62/595253262.db2.gz NNVUZPGOAZFAPL-AATRIKPKSA-N 0 3 340.493 1.188 20 10 EDCDHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@@H](C(=O)N3CCNCC3)C2)c1 ZINC000843046891 595273181 /nfs/dbraw/zinc/27/31/81/595273181.db2.gz HTIUWDYRSYEEOV-OAHLLOKOSA-N 0 3 347.459 1.435 20 10 EDCDHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@@H](C(=O)N3CCNCC3)C2)c1 ZINC000843046891 595273182 /nfs/dbraw/zinc/27/31/82/595273182.db2.gz HTIUWDYRSYEEOV-OAHLLOKOSA-N 0 3 347.459 1.435 20 10 EDCDHN CCc1cccc(C[NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)c1[O-] ZINC000848910939 595466326 /nfs/dbraw/zinc/46/63/26/595466326.db2.gz OOBMEKPXAOAKJF-HNNXBMFYSA-N 0 3 326.462 1.858 20 10 EDCDHN CCS(=O)(=O)NCCNCc1cc(OC)cc(C(C)(C)C)c1O ZINC000850082467 595734355 /nfs/dbraw/zinc/73/43/55/595734355.db2.gz SONMJZDDHMZJHD-UHFFFAOYSA-N 0 3 344.477 1.727 20 10 EDCDHN CN(C)c1cc(F)c(CNCCCN2CCC[C@H]2C(N)=O)cc1F ZINC000858225496 595735701 /nfs/dbraw/zinc/73/57/01/595735701.db2.gz GUCGLJZMWLKDTD-HNNXBMFYSA-N 0 3 340.418 1.460 20 10 EDCDHN COc1ccc(N2CCC(N[C@@H]3CCS(=O)(=O)[C@@H]3C)CC2)cc1 ZINC000858281799 595752588 /nfs/dbraw/zinc/75/25/88/595752588.db2.gz YXWOXZKNJNVHRL-CXAGYDPISA-N 0 3 338.473 1.829 20 10 EDCDHN COc1ccc(N2CC[C@H](NC(=O)[C@@H](N)Cc3ccccc3)C2)cc1 ZINC000851639895 595864923 /nfs/dbraw/zinc/86/49/23/595864923.db2.gz MTFUHHNKAOZTAT-LPHOPBHVSA-N 0 3 339.439 1.960 20 10 EDCDHN Cc1cc(CC(=O)N[C@H](CO)CN(C)C)c(C)n1-c1ccccc1 ZINC000854466954 596088527 /nfs/dbraw/zinc/08/85/27/596088527.db2.gz OLZPOMAKCHDIJJ-KRWDZBQOSA-N 0 3 329.444 1.675 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNS(=O)(=O)C[C@@H]2CCC2(F)F)cc1 ZINC000866756962 596324656 /nfs/dbraw/zinc/32/46/56/596324656.db2.gz FAZVLEQJDTWKCE-GXTWGEPZSA-N 0 3 347.431 1.717 20 10 EDCDHN Cc1ccc(O)c(CNC(=O)[C@]2(O)CCN(Cc3ccccc3)C2)c1 ZINC000862760121 596406325 /nfs/dbraw/zinc/40/63/25/596406325.db2.gz MTYNTNDPSKBZGQ-FQEVSTJZSA-N 0 3 340.423 1.954 20 10 EDCDHN O=c1ccc(CNCc2ccc(N3CCS(=O)(=O)CC3)cc2)c[nH]1 ZINC000865462275 596582804 /nfs/dbraw/zinc/58/28/04/596582804.db2.gz IQPDVGOKQGGOOV-UHFFFAOYSA-N 0 3 347.440 1.312 20 10 EDCDHN CCN(CCN)C(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000863748764 596672043 /nfs/dbraw/zinc/67/20/43/596672043.db2.gz FVFPKTJRUPFQCS-UHFFFAOYSA-N 0 3 345.399 1.321 20 10 EDCDHN CN1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CCC1(C)C ZINC000866112544 596792441 /nfs/dbraw/zinc/79/24/41/596792441.db2.gz FONOLTGFDQPBBM-UHFFFAOYSA-N 0 3 334.376 1.846 20 10 EDCDHN C[C@@H](CNC(=O)N[C@@H](C)c1ccccc1O)CN1CCN(C)CC1 ZINC000868358904 596800294 /nfs/dbraw/zinc/80/02/94/596800294.db2.gz UHUFWWUYMQUNND-GJZGRUSLSA-N 0 3 334.464 1.636 20 10 EDCDHN COc1ccc(CNC[C@H](O)[C@@H]2CCCO2)cc1Cn1cccn1 ZINC000873142054 597209398 /nfs/dbraw/zinc/20/93/98/597209398.db2.gz PGGZGRBQXUBSTP-WMZOPIPTSA-N 0 3 331.416 1.570 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNC(=O)c2ncn(C(C)(C)C)n2)cc1 ZINC000876505890 597224395 /nfs/dbraw/zinc/22/43/95/597224395.db2.gz CBQVMJZMJVDXHF-CQSZACIVSA-N 0 3 330.436 1.529 20 10 EDCDHN Cn1ncc(CN)c1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000876731189 597310798 /nfs/dbraw/zinc/31/07/98/597310798.db2.gz POHVCOLESZQGAX-UHFFFAOYSA-N 0 3 345.472 1.362 20 10 EDCDHN COC1(CO)CCN(Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877481641 597523245 /nfs/dbraw/zinc/52/32/45/597523245.db2.gz OATFQYMJEJURMB-UHFFFAOYSA-N 0 3 334.460 1.621 20 10 EDCDHN CS(=O)(=O)C1(CNCc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877488871 597523773 /nfs/dbraw/zinc/52/37/73/597523773.db2.gz PAHKCRJNHXIRCA-UHFFFAOYSA-N 0 3 338.473 1.315 20 10 EDCDHN C[C@@H]([NH2+]C1CCN(CCS(C)(=O)=O)CC1)c1cc(F)ccc1[O-] ZINC000185411664 701838095 /nfs/dbraw/zinc/83/80/95/701838095.db2.gz RCKRAGOELZHVLF-GFCCVEGCSA-N 0 3 344.452 1.691 20 10 EDCDHN [O-]c1cc2c(cc1C[NH+]1CCC(c3ccnn3CCO)CC1)OCO2 ZINC000092811362 237019948 /nfs/dbraw/zinc/01/99/48/237019948.db2.gz GLTJXXKSBSGZPY-UHFFFAOYSA-N 0 3 345.399 1.689 20 10 EDCDHN OCCn1nccc1C1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000092811362 237019960 /nfs/dbraw/zinc/01/99/60/237019960.db2.gz GLTJXXKSBSGZPY-UHFFFAOYSA-N 0 3 345.399 1.689 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCN(C(C)C)CC1)cc2=O ZINC000076910197 203365804 /nfs/dbraw/zinc/36/58/04/203365804.db2.gz LKBPVAHDKGDVKZ-UHFFFAOYSA-N 0 3 347.419 1.138 20 10 EDCDHN CCN(CC)c1ccc(CNC(=O)C(=O)NCc2cn[nH]c2C)cc1 ZINC000284051828 249588299 /nfs/dbraw/zinc/58/82/99/249588299.db2.gz MHNJKFNFYYRHJW-UHFFFAOYSA-N 0 3 343.431 1.497 20 10 EDCDHN COc1ccc(CNC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c(O)c1 ZINC000373399082 250238339 /nfs/dbraw/zinc/23/83/39/250238339.db2.gz JOWUXEIFADMZNG-UKRRQHHQSA-N 0 3 335.404 1.063 20 10 EDCDHN COc1cc(O)c(CN2CCN(C3CCOCC3)CC2)cc1OC ZINC000160347604 441873708 /nfs/dbraw/zinc/87/37/08/441873708.db2.gz KNALAQHZTDWEDK-UHFFFAOYSA-N 0 3 336.432 1.706 20 10 EDCDHN COc1cccc(CN2CCC(NC(=O)C3CCOCC3)CC2)c1O ZINC000120093814 442006985 /nfs/dbraw/zinc/00/69/85/442006985.db2.gz PEJKMWJGQMHMAU-UHFFFAOYSA-N 0 3 348.443 1.908 20 10 EDCDHN Cn1cc([C@@H]2C[N@H+](Cc3cc4c(cc3[O-])OCO4)C[C@H]2CO)cn1 ZINC000278659096 443393215 /nfs/dbraw/zinc/39/32/15/443393215.db2.gz KHYZXTXECGLUJO-KBPBESRZSA-N 0 3 331.372 1.062 20 10 EDCDHN Cn1cc([C@@H]2C[N@@H+](Cc3cc4c(cc3[O-])OCO4)C[C@H]2CO)cn1 ZINC000278659096 443393218 /nfs/dbraw/zinc/39/32/18/443393218.db2.gz KHYZXTXECGLUJO-KBPBESRZSA-N 0 3 331.372 1.062 20 10 EDCDHN COc1cc([O-])c(C[NH2+][C@@H](CO)C[C@H](O)c2ccccc2)cc1OC ZINC000271871419 443516924 /nfs/dbraw/zinc/51/69/24/443516924.db2.gz XVZRFJYGFNZZLQ-CVEARBPZSA-N 0 3 347.411 1.984 20 10 EDCDHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@H](c3cc(C(N)=O)[nH]n3)C2)c1 ZINC000271178380 443495435 /nfs/dbraw/zinc/49/54/35/443495435.db2.gz GOCKCZSHSJJXAY-LBPRGKRZSA-N 0 3 344.415 1.993 20 10 EDCDHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@H](c3cc(C(N)=O)[nH]n3)C2)c1 ZINC000271178380 443495438 /nfs/dbraw/zinc/49/54/38/443495438.db2.gz GOCKCZSHSJJXAY-LBPRGKRZSA-N 0 3 344.415 1.993 20 10 EDCDHN COCCOCCOCCN(C)Cc1cc(OC)c(OC)cc1O ZINC000276368484 443690645 /nfs/dbraw/zinc/69/06/45/443690645.db2.gz NXMZCCWLWDYYPF-UHFFFAOYSA-N 0 3 343.420 1.521 20 10 EDCDHN CCN(CC)CCNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000283744073 443704438 /nfs/dbraw/zinc/70/44/38/443704438.db2.gz NJXDMEYGBCJCFS-UHFFFAOYSA-N 0 3 346.475 1.361 20 10 EDCDHN Cn1nccc1[C@H]1[C@H]([NH2+]Cc2cc(F)ccc2[O-])CC(=O)N1C1CC1 ZINC000284732078 443785336 /nfs/dbraw/zinc/78/53/36/443785336.db2.gz CODLLZKUFFLWQJ-RDTXWAMCSA-N 0 3 344.390 1.859 20 10 EDCDHN CNS(=O)(=O)NC1CCN(Cc2cc(C)c(C)cc2O)CC1 ZINC000291705887 443765285 /nfs/dbraw/zinc/76/52/85/443765285.db2.gz ZJTBPMLUVLJSTP-UHFFFAOYSA-N 0 3 327.450 1.027 20 10 EDCDHN CCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000298626631 443821573 /nfs/dbraw/zinc/82/15/73/443821573.db2.gz JLTUBTQUMHDOTO-OAHLLOKOSA-N 0 3 333.432 1.293 20 10 EDCDHN Cc1cc(CN2CCN(C(=O)[C@@H]3CCCN3C)CC2)ccc1N(C)C ZINC000292858128 443862458 /nfs/dbraw/zinc/86/24/58/443862458.db2.gz RGOKQSNADPUEDE-IBGZPJMESA-N 0 3 344.503 1.799 20 10 EDCDHN CCN(C)c1ccc([C@@H](C)NCCNS(=O)(=O)NC(C)C)cc1 ZINC000277172559 443926732 /nfs/dbraw/zinc/92/67/32/443926732.db2.gz SFIRKZSPIGTKFA-CQSZACIVSA-N 0 3 342.509 1.626 20 10 EDCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCCN(CCCO)C2)c1[O-] ZINC000295198915 444170281 /nfs/dbraw/zinc/17/02/81/444170281.db2.gz YKEWRBAUQBEKOD-CQSZACIVSA-N 0 3 328.840 1.991 20 10 EDCDHN Oc1cc2c(cc1CN1CC[C@@](O)(c3nc(C4CC4)no3)C1)OCO2 ZINC000290371960 444273179 /nfs/dbraw/zinc/27/31/79/444273179.db2.gz HLUWVXBCHNENMZ-KRWDZBQOSA-N 0 3 345.355 1.475 20 10 EDCDHN C[C@@H]([NH2+]C[C@@]1(O)CCS(=O)(=O)C1)c1cc2c(cc1[O-])CCCC2 ZINC000296654775 444245787 /nfs/dbraw/zinc/24/57/87/444245787.db2.gz ZFOJFONMENQVHM-PXAZEXFGSA-N 0 3 339.457 1.471 20 10 EDCDHN CCOc1cccc(CN2CC[C@@]3(C2)NC(=O)N(C(C)C)C3=O)c1O ZINC000362795721 445553945 /nfs/dbraw/zinc/55/39/45/445553945.db2.gz CRRYXXTUZVHWSG-SFHVURJKSA-N 0 3 347.415 1.696 20 10 EDCDHN COC(=O)c1cn([C@@H]2CCN([C@@H](C)c3cc(OC)ccc3O)C2)nn1 ZINC000364636411 445940033 /nfs/dbraw/zinc/94/00/33/445940033.db2.gz MVQOMEISAYSMNW-NWDGAFQWSA-N 0 3 346.387 1.787 20 10 EDCDHN CCOc1ccc([O-])c(C[NH2+][C@@H]2CCC(=O)N[C@@H]2[C@H]2CCCO2)c1 ZINC000368081844 446628600 /nfs/dbraw/zinc/62/86/00/446628600.db2.gz PUHWPQVKGHBZIH-KYJSFNMBSA-N 0 3 334.416 1.707 20 10 EDCDHN CN(C)c1ccc(CN2CCN(CCN3CCCOCC3)CC2)cc1 ZINC000375333075 446727473 /nfs/dbraw/zinc/72/74/73/446727473.db2.gz FHEOQSSPNPXAHP-UHFFFAOYSA-N 0 3 346.519 1.593 20 10 EDCDHN C[C@@H](O)C[C@H]1CCCCN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000298622597 525837909 /nfs/dbraw/zinc/83/79/09/525837909.db2.gz VBNQZLSVJQETJJ-CRAIPNDOSA-N 0 3 333.476 1.994 20 10 EDCDHN COc1ccc(C[NH2+]CCN2C(=O)c3ccccc3C2=O)c([O-])c1 ZINC000725849283 578289221 /nfs/dbraw/zinc/28/92/21/578289221.db2.gz ZACKKOXILZKPTA-UHFFFAOYSA-N 0 3 326.352 1.787 20 10 EDCDHN COc1ccc(N2CCC(NC(=O)C(C)S(C)(=O)=O)CC2)cc1 ZINC000726563847 578350083 /nfs/dbraw/zinc/35/00/83/578350083.db2.gz UUHGVUWRKCUETF-GFCCVEGCSA-N 0 3 340.445 1.213 20 10 EDCDHN CCOCCN(CC)Cc1cc(=O)n2ncc(C(=O)OCC)c2[nH]1 ZINC000730808664 578658933 /nfs/dbraw/zinc/65/89/33/578658933.db2.gz RENNLYFUWSMVBD-UHFFFAOYSA-N 0 3 336.392 1.470 20 10 EDCDHN CC(C)N(C)C(=O)C1CC[NH+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000768439896 580212694 /nfs/dbraw/zinc/21/26/94/580212694.db2.gz OUDFGSJTDVLDGW-KRWDZBQOSA-N 0 3 348.443 1.897 20 10 EDCDHN [O-]c1cc2c(cc1C[NH+]1CCC(Cn3ccnn3)CC1)[C@H](O)CO2 ZINC000768461937 580213792 /nfs/dbraw/zinc/21/37/92/580213792.db2.gz HUOOUYGFNWCRAG-MRXNPFEDSA-N 0 3 330.388 1.322 20 10 EDCDHN COCCO[C@H]1C[C@H](CO)C[N@H+](Cc2c([O-])cccc2OC)C1 ZINC000775201178 580385519 /nfs/dbraw/zinc/38/55/19/580385519.db2.gz CLJBJQREQHFBKU-KBPBESRZSA-N 0 3 325.405 1.247 20 10 EDCDHN COCCO[C@H]1C[C@H](CO)C[N@@H+](Cc2c([O-])cccc2OC)C1 ZINC000775201178 580385520 /nfs/dbraw/zinc/38/55/20/580385520.db2.gz CLJBJQREQHFBKU-KBPBESRZSA-N 0 3 325.405 1.247 20 10 EDCDHN C[C@@H](NC[C@H](C)CS(C)(=O)=O)c1ccc(N2CCOCC2)cc1 ZINC000775259042 580387011 /nfs/dbraw/zinc/38/70/11/580387011.db2.gz MVUDLDOJTSWPDA-LSDHHAIUSA-N 0 3 340.489 1.855 20 10 EDCDHN CCOc1ccc(O)c(CN[C@@H]2CCN(C3CCOCC3)C2=O)c1 ZINC000776230557 580412125 /nfs/dbraw/zinc/41/21/25/580412125.db2.gz LBICICCRIMXYCV-MRXNPFEDSA-N 0 3 334.416 1.660 20 10 EDCDHN CCCCCN(CC(N)=O)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000780781997 580533535 /nfs/dbraw/zinc/53/35/35/580533535.db2.gz JMAVSAKOQQKZBM-UHFFFAOYSA-N 0 3 332.492 1.916 20 10 EDCDHN CC(=O)N1CCN(c2ccc(CNc3ccncc3CO)cc2)CC1 ZINC000893403333 590848661 /nfs/dbraw/zinc/84/86/61/590848661.db2.gz YQYNEPHEXIHJFT-UHFFFAOYSA-N 0 3 340.427 1.276 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cn(C3CC3)nn2)N(C)C)cc1 ZINC000891246966 591016830 /nfs/dbraw/zinc/01/68/30/591016830.db2.gz RCBKQGOWHKAYJC-QGZVFWFLSA-N 0 3 342.447 1.712 20 10 EDCDHN CNc1cnc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cn1 ZINC000891249642 591017800 /nfs/dbraw/zinc/01/78/00/591017800.db2.gz RSBORZPNFMCIJJ-MRXNPFEDSA-N 0 3 342.447 1.617 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)c2cn(C)c(=O)[nH]2)N(C)C)cc1 ZINC000891250622 591018461 /nfs/dbraw/zinc/01/84/61/591018461.db2.gz YMWGXSACPUDPLM-HNNXBMFYSA-N 0 3 331.420 1.224 20 10 EDCDHN CCN1CCO[C@@H](C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000891250551 591018718 /nfs/dbraw/zinc/01/87/18/591018718.db2.gz AUAIHWPGWUBJHS-QZTJIDSGSA-N 0 3 348.491 1.192 20 10 EDCDHN COC[C@@H](O)CCNCc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000894369425 591292409 /nfs/dbraw/zinc/29/24/09/591292409.db2.gz UUWRFENWGQWJPV-LBPRGKRZSA-N 0 3 338.379 1.591 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)NCCOCCF)N(C)C)cc1 ZINC000895911894 591302822 /nfs/dbraw/zinc/30/28/22/591302822.db2.gz ZQDFGCZHCMRUIK-MRXNPFEDSA-N 0 3 340.443 1.641 20 10 EDCDHN C[C@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1nc[nH]n1 ZINC000899104711 591684530 /nfs/dbraw/zinc/68/45/30/591684530.db2.gz SKOILARNPBSUKA-WFASDCNBSA-N 0 3 345.451 1.534 20 10 EDCDHN C[C@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1nc[nH]n1 ZINC000899104710 591684576 /nfs/dbraw/zinc/68/45/76/591684576.db2.gz SKOILARNPBSUKA-SWLSCSKDSA-N 0 3 345.451 1.534 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)NCCC2CC(O)C2)N(C)C)cc1 ZINC000899100525 591689679 /nfs/dbraw/zinc/68/96/79/591689679.db2.gz ABKIMIHBSYFQBF-UYJHFMRCSA-N 0 3 348.491 1.816 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)N2C[C@@H]3C[C@]3(CO)C2)N(C)C)cc1 ZINC000899101224 591690051 /nfs/dbraw/zinc/69/00/51/591690051.db2.gz GJIXDAMOWMRTTG-VDZJLULYSA-N 0 3 346.475 1.379 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)N(C)CC2(O)CCC2)N(C)C)cc1 ZINC000899100883 591690131 /nfs/dbraw/zinc/69/01/31/591690131.db2.gz CJJCDHBOAXLPMY-KRWDZBQOSA-N 0 3 348.491 1.912 20 10 EDCDHN C[C@@H]1C[C@H](O)CN1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899100558 591690167 /nfs/dbraw/zinc/69/01/67/591690167.db2.gz ANRJQURVFKEXDY-COXVUDFISA-N 0 3 334.464 1.520 20 10 EDCDHN COc1cc(Br)cc(CN[C@]2(C)CCNC2=O)c1O ZINC000897872353 591701754 /nfs/dbraw/zinc/70/17/54/591701754.db2.gz SKBVKFZHNUHGIQ-CYBMUJFWSA-N 0 3 329.194 1.532 20 10 EDCDHN COc1ccc(C[N@H+](CCOCCO)C2CCC2)c([O-])c1OC ZINC000895372804 591733570 /nfs/dbraw/zinc/73/35/70/591733570.db2.gz JKMDVHJYTGDMCX-UHFFFAOYSA-N 0 3 325.405 1.773 20 10 EDCDHN COc1ccc(C[N@@H+](CCOCCO)C2CCC2)c([O-])c1OC ZINC000895372804 591733572 /nfs/dbraw/zinc/73/35/72/591733572.db2.gz JKMDVHJYTGDMCX-UHFFFAOYSA-N 0 3 325.405 1.773 20 10 EDCDHN COc1cccc([C@H](C)NC[C@@]2(OC)CCS(=O)(=O)C2)c1O ZINC000903362480 592158611 /nfs/dbraw/zinc/15/86/11/592158611.db2.gz GHBGVKZYXZAJKQ-NHYWBVRUSA-N 0 3 329.418 1.255 20 10 EDCDHN C[C@]1(C2CC[NH+](Cc3cc4c(cc3[O-])OC[C@H]4O)CC2)COC(=O)N1 ZINC000905710275 592619512 /nfs/dbraw/zinc/61/95/12/592619512.db2.gz HTIQHEVAYRNKIF-CRAIPNDOSA-N 0 3 348.399 1.529 20 10 EDCDHN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(C)S(C)(=O)=O ZINC000839917011 593213619 /nfs/dbraw/zinc/21/36/19/593213619.db2.gz XYTFPJFKBHXHQO-QWHCGFSZSA-N 0 3 326.462 1.541 20 10 EDCDHN CNC(=O)[C@H](CCSC)NCc1ccc(N2CCOCC2)cc1 ZINC000808437662 593258425 /nfs/dbraw/zinc/25/84/25/593258425.db2.gz UBNUEQPRXKIZBX-INIZCTEOSA-N 0 3 337.489 1.481 20 10 EDCDHN CN(C)c1ccc(CNC(=O)CN2CCC[C@H]3COCC[C@@H]32)cc1 ZINC000839502759 593311768 /nfs/dbraw/zinc/31/17/68/593311768.db2.gz KVGTVTXRGBKORQ-WMZOPIPTSA-N 0 3 331.460 1.870 20 10 EDCDHN C[C@H](O)[C@@H]1C[C@H](C)CCN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839574525 593341521 /nfs/dbraw/zinc/34/15/21/593341521.db2.gz HTKIDMLKZMKESK-VKJFTORMSA-N 0 3 333.476 1.850 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@@](C)(CO)C(C)C)cc2=O ZINC000810076035 593381098 /nfs/dbraw/zinc/38/10/98/593381098.db2.gz ZFZUILMZUVNDOK-INIZCTEOSA-N 0 3 336.392 1.108 20 10 EDCDHN O=C(CNCc1ccc2c(c1)CCO2)NCCN1CCCCCC1 ZINC000816620649 593535642 /nfs/dbraw/zinc/53/56/42/593535642.db2.gz DZXPQDONGPUTBE-UHFFFAOYSA-N 0 3 331.460 1.703 20 10 EDCDHN CN(C)c1ccc(CN(C)C(=O)CN(C)C[C@H]2CCCN2C)cc1 ZINC000817289665 593589365 /nfs/dbraw/zinc/58/93/65/593589365.db2.gz BNFMWICUZLGWFX-GOSISDBHSA-N 0 3 332.492 1.737 20 10 EDCDHN COc1cc(Br)cc(C[N@H+](C[C@H](O)CO)C(C)C)c1[O-] ZINC000817417786 593603487 /nfs/dbraw/zinc/60/34/87/593603487.db2.gz PMYUBXAVMIEYMG-LBPRGKRZSA-N 0 3 348.237 1.727 20 10 EDCDHN COc1cc(Br)cc(C[N@@H+](C[C@H](O)CO)C(C)C)c1[O-] ZINC000817417786 593603488 /nfs/dbraw/zinc/60/34/88/593603488.db2.gz PMYUBXAVMIEYMG-LBPRGKRZSA-N 0 3 348.237 1.727 20 10 EDCDHN CN1CCC[C@]2(CCN(c3cc4c(cc3[N+](=O)[O-])OCC(=O)N4)C2)C1 ZINC000814908395 593606657 /nfs/dbraw/zinc/60/66/57/593606657.db2.gz ALUCUKSCIYPFNY-KRWDZBQOSA-N 0 3 346.387 1.848 20 10 EDCDHN C[C@@H]1CCCN(C(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)[C@H]1CN ZINC000817995076 593654883 /nfs/dbraw/zinc/65/48/83/593654883.db2.gz VHMQDDPZSRULFV-PBHICJAKSA-N 0 3 346.475 1.297 20 10 EDCDHN CS(=O)(=O)CCN[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000819121557 593740146 /nfs/dbraw/zinc/74/01/46/593740146.db2.gz WWCSUTDYPNCFDI-LBPRGKRZSA-N 0 3 348.415 1.891 20 10 EDCDHN CC(C)N1CCC[C@H]1C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000829296666 594594387 /nfs/dbraw/zinc/59/43/87/594594387.db2.gz LSFZUAJWPIHHOK-IBGZPJMESA-N 0 3 344.503 1.927 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@H]1C[C@H](OC)C1(C)C)cc2=O ZINC000831339840 594611094 /nfs/dbraw/zinc/61/10/94/594611094.db2.gz XNENKICKFCWSJG-STQMWFEESA-N 0 3 348.403 1.515 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNC(=O)Cc2ccc3c(c2)OCO3)cc1 ZINC000832281490 594740012 /nfs/dbraw/zinc/74/00/12/594740012.db2.gz SYCZHADGYSRXCN-MRXNPFEDSA-N 0 3 341.411 1.840 20 10 EDCDHN Cc1nn(C)c(C)c1CC(=O)NC[C@H](N)c1ccc(N(C)C)cc1 ZINC000832292247 594740657 /nfs/dbraw/zinc/74/06/57/594740657.db2.gz DKYWPMYJYGJQOY-KRWDZBQOSA-N 0 3 329.448 1.462 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)[C@@](C)(N)c2ccccc2)cc1 ZINC000841846843 594964278 /nfs/dbraw/zinc/96/42/78/594964278.db2.gz WSUNTNPGUSKHGT-HKUYNNGSSA-N 0 3 326.444 1.743 20 10 EDCDHN C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCc1cc(Br)ccc1[O-] ZINC000841978762 594994415 /nfs/dbraw/zinc/99/44/15/594994415.db2.gz YMRBKMVIKKYDPJ-JOYOIKCWSA-N 0 3 342.237 1.952 20 10 EDCDHN CC(C)C(=O)N1CCC[C@@H]1C(=O)NC[C@H](N)c1ccc(N(C)C)cc1 ZINC000843296666 595065529 /nfs/dbraw/zinc/06/55/29/595065529.db2.gz CZSXOFOCKOWJQA-DLBZAZTESA-N 0 3 346.475 1.516 20 10 EDCDHN CCCC(=O)N1CCC[C@H]1C(=O)NC[C@H](N)c1ccc(N(C)C)cc1 ZINC000843298476 595065934 /nfs/dbraw/zinc/06/59/34/595065934.db2.gz NGBYDVQKSKNHNA-IRXDYDNUSA-N 0 3 346.475 1.660 20 10 EDCDHN CC(=O)N[C@H](C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1)C1CCCC1 ZINC000843299377 595066789 /nfs/dbraw/zinc/06/67/89/595066789.db2.gz SJDVZJCKHUBFNH-MSOLQXFVSA-N 0 3 346.475 1.564 20 10 EDCDHN c1cnc(N[C@@H]2CCN(Cc3ccc(N4CCOCC4)cc3)C2)nc1 ZINC000843414917 595105502 /nfs/dbraw/zinc/10/55/02/595105502.db2.gz GALDBUGHQJRLQP-QGZVFWFLSA-N 0 3 339.443 2.000 20 10 EDCDHN CCN(CC)c1ccc(CN2CCN(CCN(C)C)C(=O)C2)cc1 ZINC000846011125 595121826 /nfs/dbraw/zinc/12/18/26/595121826.db2.gz LNQMQTQNARTESC-UHFFFAOYSA-N 0 3 332.492 1.739 20 10 EDCDHN CC[C@@H](CNS(C)(=O)=O)NC/C=C\c1ccc(N(C)C)cc1 ZINC000835053568 595253838 /nfs/dbraw/zinc/25/38/38/595253838.db2.gz DHYSEDGFEGUPRQ-XHPSBEMXSA-N 0 3 325.478 1.683 20 10 EDCDHN CN(C)c1ccc(/C=C/CN2CCC3(CC2)NC(=O)N(C)C3=O)cc1 ZINC000835052465 595253893 /nfs/dbraw/zinc/25/38/93/595253893.db2.gz CNBFNPPFONWZFH-SNAWJCMRSA-N 0 3 342.443 1.782 20 10 EDCDHN COc1ccccc1NCC(=O)NC[C@H](N)c1ccc(N(C)C)cc1 ZINC000844162488 595288006 /nfs/dbraw/zinc/28/80/06/595288006.db2.gz DZRUIXDGFXSGJD-INIZCTEOSA-N 0 3 342.443 1.989 20 10 EDCDHN O=C1O[C@@H](CNCc2ccc(N3CCOCC3)cc2)CN1C1CC1 ZINC000848578265 595407293 /nfs/dbraw/zinc/40/72/93/595407293.db2.gz PTYTVEXMLBTQNJ-KRWDZBQOSA-N 0 3 331.416 1.596 20 10 EDCDHN NC[C@@H](NC(=O)NCc1ccc(N2CCOCC2)cc1)C(F)(F)F ZINC000848594667 595413376 /nfs/dbraw/zinc/41/33/76/595413376.db2.gz FQSIZRWXKJTBEY-CYBMUJFWSA-N 0 3 346.353 1.212 20 10 EDCDHN N[C@@H](CC(F)F)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000852868426 595587571 /nfs/dbraw/zinc/58/75/71/595587571.db2.gz FDFHNBFTGJVADS-AWEZNQCLSA-N 0 3 327.375 1.246 20 10 EDCDHN C[C@@H]1C[C@@H]([NH2+]C[C@@]23COC(=O)N2CCOC3)c2c1c(F)ccc2[O-] ZINC000866520975 596239355 /nfs/dbraw/zinc/23/93/55/596239355.db2.gz JDZBXRQHAIEYRS-ILMHXZGMSA-N 0 3 336.363 1.890 20 10 EDCDHN CN(C)CCn1cc(C(=O)NCc2ccc(N3CCCC3)cc2)cn1 ZINC000864861509 596392882 /nfs/dbraw/zinc/39/28/82/596392882.db2.gz BXBOGKQPCOHEDM-UHFFFAOYSA-N 0 3 341.459 1.975 20 10 EDCDHN C[C@@H](NC(=O)c1c(CN)cnn1C)c1ccc(N2CCOCC2)cc1 ZINC000876740618 597316668 /nfs/dbraw/zinc/31/66/68/597316668.db2.gz JVKSYAQNOQBZFL-CYBMUJFWSA-N 0 3 343.431 1.206 20 10 EDCDHN Cc1ccc(C[NH2+]CCCN2CCN(c3ncccn3)CC2)c([O-])c1 ZINC000876923612 597386398 /nfs/dbraw/zinc/38/63/98/597386398.db2.gz XSYVKZSOOUASFF-UHFFFAOYSA-N 0 3 341.459 1.793 20 10 EDCDHN CNS(=O)(=O)c1ccc(CC[NH2+]Cc2c(C)cccc2[O-])cc1 ZINC000877735093 597551882 /nfs/dbraw/zinc/55/18/82/597551882.db2.gz FXYMOQBILVQBLZ-UHFFFAOYSA-N 0 3 334.441 1.941 20 10 EDCDHN COc1cccc(O)c1CNCC1(S(=O)(=O)NC(C)(C)C)CC1 ZINC000883291898 597702902 /nfs/dbraw/zinc/70/29/02/597702902.db2.gz XAGBGVWVCDLGKE-UHFFFAOYSA-N 0 3 342.461 1.741 20 10 EDCDHN COc1cccc([O-])c1C[NH2+]CC1(S(=O)(=O)NC(C)(C)C)CC1 ZINC000883291898 597702903 /nfs/dbraw/zinc/70/29/03/597702903.db2.gz XAGBGVWVCDLGKE-UHFFFAOYSA-N 0 3 342.461 1.741 20 10 EDCDHN CN(C)c1ccc(CN(C)C(=O)CN(C)[C@@H]2CCCC[C@H]2O)cc1 ZINC000879139971 597830282 /nfs/dbraw/zinc/83/02/82/597830282.db2.gz AOTHHILGQZUOEH-QZTJIDSGSA-N 0 3 333.476 1.946 20 10 EDCDHN C[C@H]1[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CCCN1CCO ZINC000994495358 696935255 /nfs/dbraw/zinc/93/52/55/696935255.db2.gz NZMGGPOWAJFCIF-SMDDNHRTSA-N 0 3 333.392 1.424 20 10 EDCDHN C[C@@H]1[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CCCN1CCO ZINC000994495355 696935371 /nfs/dbraw/zinc/93/53/71/696935371.db2.gz NZMGGPOWAJFCIF-RISCZKNCSA-N 0 3 333.392 1.424 20 10 EDCDHN CCN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@@H]1CCN(CCO)C1 ZINC001034052246 709280929 /nfs/dbraw/zinc/28/09/29/709280929.db2.gz GSIUGAQDWDSFNZ-CQSZACIVSA-N 0 3 333.392 1.378 20 10 EDCDHN COc1cc(Br)cc(C[NH2+]C2CC(CC(N)=O)C2)c1[O-] ZINC000922514026 711643773 /nfs/dbraw/zinc/64/37/73/711643773.db2.gz OAMMDJUVRFMYIW-UHFFFAOYSA-N 0 3 343.221 1.907 20 10 EDCDHN Cc1noc([C@@]2(O)CCN(Cc3ccc(N4CCOCC4)cc3)C2)n1 ZINC000368583561 250200691 /nfs/dbraw/zinc/20/06/91/250200691.db2.gz JKXBXXQHOSUACN-GOSISDBHSA-N 0 3 344.415 1.308 20 10 EDCDHN CN(C)C(=O)[C@H]1CCCN1CCC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000297972324 289020901 /nfs/dbraw/zinc/02/09/01/289020901.db2.gz ZXAOYQMQHZXHSW-HZPDHXFCSA-N 0 3 331.460 1.912 20 10 EDCDHN CCN1CCC(NC(=O)NCc2ccc(N3CCOCC3)cc2)CC1 ZINC000054786510 441597545 /nfs/dbraw/zinc/59/75/45/441597545.db2.gz JRTNDRWFJUTCPM-UHFFFAOYSA-N 0 3 346.475 1.807 20 10 EDCDHN COc1ccc(N2CCN(CCCNCc3cocn3)CC2)cc1 ZINC000192281629 442626883 /nfs/dbraw/zinc/62/68/83/442626883.db2.gz JZYYZOMOUOYURN-UHFFFAOYSA-N 0 3 330.432 1.985 20 10 EDCDHN COCCN1CC[C@H](NC(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC000266545596 443163460 /nfs/dbraw/zinc/16/34/60/443163460.db2.gz RKTPCHSSCYSJOY-HNNXBMFYSA-N 0 3 347.459 1.791 20 10 EDCDHN C[C@H]1CCN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000263719475 443237653 /nfs/dbraw/zinc/23/76/53/443237653.db2.gz OKOYHDYZEQEDKN-AWEZNQCLSA-N 0 3 335.423 1.620 20 10 EDCDHN CC(C)C[C@H](N)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000269250049 443250214 /nfs/dbraw/zinc/25/02/14/443250214.db2.gz OOMHFHQULUIFGL-SFHVURJKSA-N 0 3 333.476 1.885 20 10 EDCDHN C[C@H](Cn1cccn1)NCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000264404260 443279587 /nfs/dbraw/zinc/27/95/87/443279587.db2.gz WKKJKHHHPCJURD-OAHLLOKOSA-N 0 3 329.448 1.586 20 10 EDCDHN Cc1cccc(CN2CCN(c3nccn4cnnc34)[C@H](C)C2)c1O ZINC000271893166 443518033 /nfs/dbraw/zinc/51/80/33/443518033.db2.gz XNTGWYGCCFKNIJ-CQSZACIVSA-N 0 3 338.415 1.849 20 10 EDCDHN CN(C)c1ccc(CNCCNS(C)(=O)=O)c(C(F)(F)F)c1 ZINC000279819163 443630910 /nfs/dbraw/zinc/63/09/10/443630910.db2.gz GERMDSCQUDFBNI-UHFFFAOYSA-N 0 3 339.383 1.410 20 10 EDCDHN Cc1ccc([O-])c(C[NH2+]C[C@@H]2CCCC[C@H]2NS(C)(=O)=O)c1 ZINC000285402511 443970950 /nfs/dbraw/zinc/97/09/50/443970950.db2.gz FGCAZVUDYJSQLP-DZGCQCFKSA-N 0 3 326.462 1.898 20 10 EDCDHN COc1ccc(N2CCN(C(=O)CN(C)[C@H](C)C(C)(C)O)CC2)cc1 ZINC000295107283 444166309 /nfs/dbraw/zinc/16/63/09/444166309.db2.gz HDZCSCWUGYXCFG-OAHLLOKOSA-N 0 3 349.475 1.435 20 10 EDCDHN COc1ccc(O)c(CN2CC[C@@](O)(c3nc(C4CC4)no3)C2)c1 ZINC000290367918 444272760 /nfs/dbraw/zinc/27/27/60/444272760.db2.gz HFRNONGOQOXYKM-KRWDZBQOSA-N 0 3 331.372 1.755 20 10 EDCDHN COC(=O)CC[C@@H](N)C(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000377531807 447185948 /nfs/dbraw/zinc/18/59/48/447185948.db2.gz YKNCCLZDTBNHBP-MRXNPFEDSA-N 0 3 349.431 1.014 20 10 EDCDHN Cc1ccc(O)c(CNCCS(=O)(=O)NCc2ccccc2)c1 ZINC000113329090 534197289 /nfs/dbraw/zinc/19/72/89/534197289.db2.gz PTFKNNKFWQXLFG-UHFFFAOYSA-N 0 3 334.441 1.910 20 10 EDCDHN Oc1cc2c(cc1CN1CCCC[C@@H]1CN1CCOCC1)OCO2 ZINC000093012174 534449811 /nfs/dbraw/zinc/44/98/11/534449811.db2.gz KNZCUSZUEWAXOR-OAHLLOKOSA-N 0 3 334.416 1.808 20 10 EDCDHN [O-]c1cc2c(cc1C[N@@H+]1CCCC[C@@H]1CN1CCOCC1)OCO2 ZINC000093012174 534449819 /nfs/dbraw/zinc/44/98/19/534449819.db2.gz KNZCUSZUEWAXOR-OAHLLOKOSA-N 0 3 334.416 1.808 20 10 EDCDHN [O-]c1cc2c(cc1C[N@H+]1CCCC[C@@H]1CN1CCOCC1)OCO2 ZINC000093012174 534449823 /nfs/dbraw/zinc/44/98/23/534449823.db2.gz KNZCUSZUEWAXOR-OAHLLOKOSA-N 0 3 334.416 1.808 20 10 EDCDHN CCOC(=O)CNC(=O)C1CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000092064484 528812634 /nfs/dbraw/zinc/81/26/34/528812634.db2.gz SOEZSAXAVKUYHI-UHFFFAOYSA-N 0 3 347.459 1.644 20 10 EDCDHN Cc1ccc([C@H](C)[NH2+]CCNS(=O)(=O)Cc2ccon2)c([O-])c1 ZINC000756632301 579953928 /nfs/dbraw/zinc/95/39/28/579953928.db2.gz BJEIJABOJLEUFL-LBPRGKRZSA-N 0 3 339.417 1.459 20 10 EDCDHN CC(C)[C@H](C[NH+](C)C)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769842106 580246871 /nfs/dbraw/zinc/24/68/71/580246871.db2.gz KXUHQVNVAQPUTI-ZDUSSCGKSA-N 0 3 343.449 1.080 20 10 EDCDHN [O-]c1cc2c(cc1C[NH+]1CCC(OC[C@@H]3CCOC3)CC1)[C@H](O)CO2 ZINC000784001987 580611497 /nfs/dbraw/zinc/61/14/97/580611497.db2.gz RRNNLCNXDRBBLJ-FZKQIMNGSA-N 0 3 349.427 1.836 20 10 EDCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H](Oc3ccncc3)C1)[C@@H](O)CO2 ZINC000788381027 580719939 /nfs/dbraw/zinc/71/99/39/580719939.db2.gz UBOJEVXSRRLTKT-PBHICJAKSA-N 0 3 328.368 1.866 20 10 EDCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H](Oc3ccncc3)C1)[C@@H](O)CO2 ZINC000788381027 580719940 /nfs/dbraw/zinc/71/99/40/580719940.db2.gz UBOJEVXSRRLTKT-PBHICJAKSA-N 0 3 328.368 1.866 20 10 EDCDHN CN1C[C@H]2CCN(C(=O)NCc3ccc(N4CC=CC4)cc3)[C@H]2C1 ZINC000893135973 590675961 /nfs/dbraw/zinc/67/59/61/590675961.db2.gz RIXRXPREJFJNOA-AEFFLSMTSA-N 0 3 326.444 1.908 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCCC(=O)N2)N(C)C)cc1 ZINC000891247893 591017741 /nfs/dbraw/zinc/01/77/41/591017741.db2.gz LFDVLARJWIRBRP-CVEARBPZSA-N 0 3 332.448 1.140 20 10 EDCDHN Cc1c(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)nnn1C ZINC000891252416 591020236 /nfs/dbraw/zinc/02/02/36/591020236.db2.gz KUQIHHRJCPHCHD-HNNXBMFYSA-N 0 3 330.436 1.222 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)NCc2ncccn2)N(C)C)cc1 ZINC000895837455 591285601 /nfs/dbraw/zinc/28/56/01/591285601.db2.gz KRIKXTJABNUQJU-INIZCTEOSA-N 0 3 342.447 1.645 20 10 EDCDHN COc1ccc(CNCC2(S(C)(=O)=O)CCCC2)c(O)c1OC ZINC000894426766 591309238 /nfs/dbraw/zinc/30/92/38/591309238.db2.gz WFRUKRBWPMHWQP-UHFFFAOYSA-N 0 3 343.445 1.856 20 10 EDCDHN COc1ccc(C[NH2+]CC2(S(C)(=O)=O)CCCC2)c([O-])c1OC ZINC000894426766 591309240 /nfs/dbraw/zinc/30/92/40/591309240.db2.gz WFRUKRBWPMHWQP-UHFFFAOYSA-N 0 3 343.445 1.856 20 10 EDCDHN COc1ccc(C[NH2+]CC[C@@H]2CCCS2(=O)=O)c([O-])c1OC ZINC000896008685 591322329 /nfs/dbraw/zinc/32/23/29/591322329.db2.gz MGQXNXBLYYQGDO-LBPRGKRZSA-N 0 3 329.418 1.466 20 10 EDCDHN COC[C@H]([NH2+]Cc1ccc(OC)c(OC)c1[O-])[C@@H]1CCCOC1 ZINC000896063707 591334282 /nfs/dbraw/zinc/33/42/82/591334282.db2.gz IKEOIWIUOYSZHT-KGLIPLIRSA-N 0 3 325.405 1.941 20 10 EDCDHN CC1=NO[C@@H](CNC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000896087239 591339742 /nfs/dbraw/zinc/33/97/42/591339742.db2.gz IVCUUNFSHVYZJC-IAGOWNOFSA-N 0 3 347.463 1.819 20 10 EDCDHN COCCO[C@@H]1C[C@@H](CO)CN(Cc2cc(C)cc(OC)c2O)C1 ZINC000894581038 591352283 /nfs/dbraw/zinc/35/22/83/591352283.db2.gz IJJFDCYTQFGXNP-GDBMZVCRSA-N 0 3 339.432 1.555 20 10 EDCDHN CN(C)c1ccc([C@@H](CNCc2cnc3n2CCOC3)N(C)C)cc1 ZINC000898448863 591352730 /nfs/dbraw/zinc/35/27/30/591352730.db2.gz YPMRTBUWANQAFC-GOSISDBHSA-N 0 3 343.475 1.872 20 10 EDCDHN COc1cccc([O-])c1C[NH2+]CC1(O)CN(C(=O)OC(C)(C)C)C1 ZINC000895209055 591657655 /nfs/dbraw/zinc/65/76/55/591657655.db2.gz YFXKGDXUEJYESY-UHFFFAOYSA-N 0 3 338.404 1.472 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)NC[C@](C)(O)C2CC2)N(C)C)cc1 ZINC000899101631 591682584 /nfs/dbraw/zinc/68/25/84/591682584.db2.gz KEMRPNZAGAMHED-HKUYNNGSSA-N 0 3 348.491 1.816 20 10 EDCDHN C[C@@H]1CC[C@@H](O)CN1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899098409 591688414 /nfs/dbraw/zinc/68/84/14/591688414.db2.gz NKZLWUNTZGVWIQ-ZTFGCOKTSA-N 0 3 348.491 1.910 20 10 EDCDHN COc1cc([O-])c(C[NH2+]CCN2C[C@H]3CCCCN3C2=O)cc1OC ZINC000895345139 591722944 /nfs/dbraw/zinc/72/29/44/591722944.db2.gz XVUCFCOBMFFNHD-CQSZACIVSA-N 0 3 349.431 1.789 20 10 EDCDHN COC(=O)c1cc(C2CN(Cc3cc(C)cc(OC)c3O)C2)[nH]n1 ZINC000898002686 591742188 /nfs/dbraw/zinc/74/21/88/591742188.db2.gz ZJSHTKGWINAGKT-UHFFFAOYSA-N 0 3 331.372 1.818 20 10 EDCDHN CC[C@@H](C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1)N(C)C ZINC000899472072 591814999 /nfs/dbraw/zinc/81/49/99/591814999.db2.gz GLLIDOFIHZCXKM-KRWDZBQOSA-N 0 3 346.475 1.345 20 10 EDCDHN CN(C)c1cc(F)c(CNCCCn2ccc(=O)[nH]c2=O)cc1F ZINC000898325223 591858378 /nfs/dbraw/zinc/85/83/78/591858378.db2.gz DLOSREOSEPXDRL-UHFFFAOYSA-N 0 3 338.358 1.473 20 10 EDCDHN CN(C)CCn1nccc1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000900025669 591874757 /nfs/dbraw/zinc/87/47/57/591874757.db2.gz DTSISLUBCCCQEZ-UHFFFAOYSA-N 0 3 329.448 1.783 20 10 EDCDHN O=C1N[C@H](C2CC[NH+](Cc3cc4c(cc3[O-])OC[C@@H]4O)CC2)CO1 ZINC000902514230 592008033 /nfs/dbraw/zinc/00/80/33/592008033.db2.gz MRMXFNKPQUZPTR-ZFWWWQNUSA-N 0 3 334.372 1.138 20 10 EDCDHN CC(=O)N[C@@](C)(C(=O)NC[C@H](N)c1ccc(N(C)C)cc1)C(C)C ZINC000911665134 592973577 /nfs/dbraw/zinc/97/35/77/592973577.db2.gz AFNLUMZQAUQGMV-FUHWJXTLSA-N 0 3 334.464 1.419 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNC(=O)c2[nH]ncc2C(F)(F)F)cc1 ZINC000911666701 592974167 /nfs/dbraw/zinc/97/41/67/592974167.db2.gz KOOYTCFABZDMMT-GFCCVEGCSA-N 0 3 341.337 1.924 20 10 EDCDHN CC(C)N(CCN(C)C)C(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000807678825 593190271 /nfs/dbraw/zinc/19/02/71/593190271.db2.gz ZYMBETWPJVECHR-HNNXBMFYSA-N 0 3 348.491 1.728 20 10 EDCDHN Cc1cc([O-])c(C[NH2+][C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1C ZINC000808424505 593258197 /nfs/dbraw/zinc/25/81/97/593258197.db2.gz ISSLRVGWQOIOMH-OAHLLOKOSA-N 0 3 341.477 1.369 20 10 EDCDHN COCCCOC1CN(Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000839134711 593267913 /nfs/dbraw/zinc/26/79/13/593267913.db2.gz UZMGHDFGXGHWAE-UHFFFAOYSA-N 0 3 333.476 1.676 20 10 EDCDHN C[C@H]1[C@@H](CO)CCCN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000839668845 593357630 /nfs/dbraw/zinc/35/76/30/593357630.db2.gz IILKJHWTEVPVKD-DOTOQJQBSA-N 0 3 333.476 1.804 20 10 EDCDHN O=C1COc2cc([N+](=O)[O-])c(N3CC[C@H](N4CCCCC4)C3)cc2N1 ZINC000761894316 593423313 /nfs/dbraw/zinc/42/33/13/593423313.db2.gz IJZCIVQPBVHZPJ-LBPRGKRZSA-N 0 3 346.387 1.990 20 10 EDCDHN COCC[C@@H]1COCCN1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000812787029 593509310 /nfs/dbraw/zinc/50/93/10/593509310.db2.gz ZLSPPCSIRQFXBT-LJQANCHMSA-N 0 3 333.476 1.676 20 10 EDCDHN C[C@@H](N[C@H]1CCC(=O)N(C)C1=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000818360713 593694515 /nfs/dbraw/zinc/69/45/15/593694515.db2.gz BRWHZSARQNIGLG-DOMZBBRYSA-N 0 3 349.406 1.460 20 10 EDCDHN CN(C)c1ccc(CNC[C@@H](O)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000818942347 593729241 /nfs/dbraw/zinc/72/92/41/593729241.db2.gz ZOEGENJNZOWAME-GOSISDBHSA-N 0 3 348.468 1.979 20 10 EDCDHN CCN1CCN(c2ccc(CNC[C@H](O)COC)cc2F)CC1 ZINC000819032097 593734759 /nfs/dbraw/zinc/73/47/59/593734759.db2.gz DNFZOKASDLELOH-HNNXBMFYSA-N 0 3 325.428 1.065 20 10 EDCDHN COC[C@@]1(CO)CCN(Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000825158485 594138209 /nfs/dbraw/zinc/13/82/09/594138209.db2.gz MGHBHRKXPLIFRC-SFHVURJKSA-N 0 3 338.423 1.493 20 10 EDCDHN CN1CCN(c2ccc(CN3CCN([C@@H]4CCOC4)CC3)cc2)CC1 ZINC000827118333 594644095 /nfs/dbraw/zinc/64/40/95/594644095.db2.gz CAQFLLSHTHHHHK-HXUWFJFHSA-N 0 3 344.503 1.345 20 10 EDCDHN NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@H](N)C3CCC3)cc2)C1 ZINC000827469411 594675188 /nfs/dbraw/zinc/67/51/88/594675188.db2.gz WVMZCVHPLKUEHB-NVXWUHKLSA-N 0 3 344.459 1.132 20 10 EDCDHN COc1ccc(N2CC[C@@H](CNC(=O)[C@@H](N)CC(F)F)C2)cc1 ZINC000831748769 594699011 /nfs/dbraw/zinc/69/90/11/594699011.db2.gz MXIOIHYDMQZHQF-FZMZJTMJSA-N 0 3 327.375 1.620 20 10 EDCDHN COC1CCN(c2ccc(CN3CCN(CCO)C[C@@H]3C)cc2)CC1 ZINC000832782020 594776304 /nfs/dbraw/zinc/77/63/04/594776304.db2.gz FVQHXXHCLOZWOM-KRWDZBQOSA-N 0 3 347.503 1.800 20 10 EDCDHN COCC(COC)N1CCN(Cc2ccc(N(C)C)cc2C)CC1 ZINC000840954882 594832069 /nfs/dbraw/zinc/83/20/69/594832069.db2.gz MOHNILKDASZEKV-UHFFFAOYSA-N 0 3 335.492 1.840 20 10 EDCDHN Cn1ccnc1CN1CCC[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)C1=O ZINC000834759797 595205496 /nfs/dbraw/zinc/20/54/96/595205496.db2.gz FWTCIYFELMTBKL-GJZGRUSLSA-N 0 3 340.427 1.894 20 10 EDCDHN CC(C)COC[C@H](O)CNCc1ccc(N2CCC(O)CC2)cc1 ZINC000853121503 595672003 /nfs/dbraw/zinc/67/20/03/595672003.db2.gz FWFWCHCKFXWVFX-LJQANCHMSA-N 0 3 336.476 1.771 20 10 EDCDHN CNC(=O)CN1CCC(NCc2cc(F)c(N(C)C)cc2F)CC1 ZINC000858094542 595698227 /nfs/dbraw/zinc/69/82/27/595698227.db2.gz HAAHISGVPRDDBV-UHFFFAOYSA-N 0 3 340.418 1.331 20 10 EDCDHN O=c1ccc([C@@H]2OCC[C@H]2[NH2+]Cc2cc3c(cc2[O-])OCO3)c[nH]1 ZINC000858289288 595753802 /nfs/dbraw/zinc/75/38/02/595753802.db2.gz JVWSIRWBNNCHEF-PXAZEXFGSA-N 0 3 330.340 1.841 20 10 EDCDHN COCCn1cc(CN[C@@H]2CCN(c3ccc(OC)cc3)C2)cn1 ZINC000850347830 595814178 /nfs/dbraw/zinc/81/41/78/595814178.db2.gz YMHBSIMRWIJHFZ-MRXNPFEDSA-N 0 3 330.432 1.907 20 10 EDCDHN Cc1cnccc1CNCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000850355537 595816898 /nfs/dbraw/zinc/81/68/98/595816898.db2.gz GRYSRYVQHAMGHX-UHFFFAOYSA-N 0 3 345.468 1.915 20 10 EDCDHN COc1ccc(N2CC[C@H](NC(=O)[C@H](N)Cc3ccccc3)C2)cc1 ZINC000851639897 595864785 /nfs/dbraw/zinc/86/47/85/595864785.db2.gz MTFUHHNKAOZTAT-QFBILLFUSA-N 0 3 339.439 1.960 20 10 EDCDHN Cc1cc(CN2CCC(n3cc(C(N)=O)nn3)CC2)ccc1N(C)C ZINC000859593680 596141052 /nfs/dbraw/zinc/14/10/52/596141052.db2.gz HYZFLDQLBKPDOG-UHFFFAOYSA-N 0 3 342.447 1.589 20 10 EDCDHN C[C@H]1CN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@]1(C)CO ZINC000852700025 596229418 /nfs/dbraw/zinc/22/94/18/596229418.db2.gz AWEIYAKUAPJLHT-HNAYVOBHSA-N 0 3 333.476 1.661 20 10 EDCDHN C[C@@H]1C[C@@H]([NH2+]C[C@]23COC(=O)N2CCOC3)c2c1c(F)ccc2[O-] ZINC000866520972 596239352 /nfs/dbraw/zinc/23/93/52/596239352.db2.gz JDZBXRQHAIEYRS-HSOHIQCKSA-N 0 3 336.363 1.890 20 10 EDCDHN CCc1cccc(C[NH2+][C@H]2CCN(c3ccc4nncn4n3)C2)c1[O-] ZINC000862481278 596334609 /nfs/dbraw/zinc/33/46/09/596334609.db2.gz FCWHUTYRZQRKCV-HNNXBMFYSA-N 0 3 338.415 1.761 20 10 EDCDHN Cc1ccn(C[C@H](C)C(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)n1 ZINC000870933669 596411507 /nfs/dbraw/zinc/41/15/07/596411507.db2.gz STNRFNUZPZIRKT-SUMWQHHRSA-N 0 3 329.448 1.710 20 10 EDCDHN CCC1(N2CCOCC2)CCN(C(=O)c2cccc(O)c2O)CC1 ZINC000863492447 596597204 /nfs/dbraw/zinc/59/72/04/596597204.db2.gz XHNPDOIWRNPWAF-UHFFFAOYSA-N 0 3 334.416 1.815 20 10 EDCDHN C[C@@H](NCc1ccc(N2CCN(C)CC2)cc1)[C@H](O)C(F)(F)F ZINC000865712521 596657763 /nfs/dbraw/zinc/65/77/63/596657763.db2.gz ZFXUEUKWPBRXQA-DOMZBBRYSA-N 0 3 331.382 1.840 20 10 EDCDHN COc1ccc(CNCCNc2cnccn2)cc1Cn1cccn1 ZINC000873078793 597182838 /nfs/dbraw/zinc/18/28/38/597182838.db2.gz PHMWOIBBWYFYSP-UHFFFAOYSA-N 0 3 338.415 1.932 20 10 EDCDHN CN(Cc1ccccc1)C[C@H](N)C(=O)NCCc1ccc(N)cc1 ZINC000876528235 597231675 /nfs/dbraw/zinc/23/16/75/597231675.db2.gz MGFDKIBEOPDYSP-SFHVURJKSA-N 0 3 326.444 1.387 20 10 EDCDHN C[C@H](NC(=O)N[C@H]1CCN(CC(C)(C)O)C1)c1ccc(N(C)C)cc1 ZINC000875507083 597456905 /nfs/dbraw/zinc/45/69/05/597456905.db2.gz AIDPGNPNECNJHA-HOCLYGCPSA-N 0 3 348.491 1.958 20 10 EDCDHN CCO[C@H]1COCC[C@H]1NCc1ccc(N2CCC(O)CC2)cc1 ZINC000877344052 597496622 /nfs/dbraw/zinc/49/66/22/597496622.db2.gz CYNPPXLDEPXZRU-MOPGFXCFSA-N 0 3 334.460 1.931 20 10 EDCDHN NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877466483 597520562 /nfs/dbraw/zinc/52/05/62/597520562.db2.gz KYTSIVHRJSGSTN-LZQZEXGQSA-N 0 3 343.471 1.734 20 10 EDCDHN C[C@H]([NH2+]CC(=O)N1CCN(C(=O)C2CC2)CC1)c1ccccc1[O-] ZINC000879651732 597674743 /nfs/dbraw/zinc/67/47/43/597674743.db2.gz ITVHLNWTNUPOLP-ZDUSSCGKSA-N 0 3 331.416 1.124 20 10 EDCDHN C[C@H]([NH2+][C@@H]1CCCN(CCN2CCOCC2)C1)c1ccccc1[O-] ZINC000883371085 597725736 /nfs/dbraw/zinc/72/57/36/597725736.db2.gz YOSDZKRCIRXOQA-DLBZAZTESA-N 0 3 333.476 1.839 20 10 EDCDHN [O-]c1c(F)cc(Br)cc1C[NH2+]C[C@@H](O)CN1CCCC1 ZINC000882916597 598101313 /nfs/dbraw/zinc/10/13/13/598101313.db2.gz SEOZDANGOYVVLN-GFCCVEGCSA-N 0 3 347.228 1.840 20 10 EDCDHN [O-]c1c(F)cc(Br)cc1CNC[C@@H](O)C[NH+]1CCCC1 ZINC000882916597 598101314 /nfs/dbraw/zinc/10/13/14/598101314.db2.gz SEOZDANGOYVVLN-GFCCVEGCSA-N 0 3 347.228 1.840 20 10 EDCDHN CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@@H](CC(N)=O)C2)cc1 ZINC000175222732 529779964 /nfs/dbraw/zinc/77/99/64/529779964.db2.gz JHXYKSUCVSDRMR-INIZCTEOSA-N 0 3 346.475 1.298 20 10 EDCDHN C[C@H](O)[C@@H]1CCCCN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000264478277 249337507 /nfs/dbraw/zinc/33/75/07/249337507.db2.gz ZINZIVICUVPHNC-YJBOKZPZSA-N 0 3 333.476 1.946 20 10 EDCDHN CN1CCC(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CC1 ZINC000267344905 249361003 /nfs/dbraw/zinc/36/10/03/249361003.db2.gz CAZCZJPXRJWOSK-UHFFFAOYSA-N 0 3 349.450 1.745 20 10 EDCDHN COc1ccc(O)c([C@@H](C)N2CC[C@@]3(C2)NC(=O)N(C(C)C)C3=O)c1 ZINC000372487152 250221769 /nfs/dbraw/zinc/22/17/69/250221769.db2.gz ZQOKFGRPGLCUKU-XIKOKIGWSA-N 0 3 347.415 1.867 20 10 EDCDHN COC[C@H](C)OC[C@@H](O)CN1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000373909333 250248261 /nfs/dbraw/zinc/24/82/61/250248261.db2.gz FNWZXISMWYUUID-KXBFYZLASA-N 0 3 334.460 1.864 20 10 EDCDHN CN(C)c1ccc(CNC(=O)CN2CC[C@H]3CCN(C)[C@@H]3C2)cc1 ZINC000375015882 250277261 /nfs/dbraw/zinc/27/72/61/250277261.db2.gz CYZCFBFEGCWQQA-SJLPKXTDSA-N 0 3 330.476 1.395 20 10 EDCDHN CCS(=O)(=O)CCNC1CCN(c2ccc(OC)cc2)CC1 ZINC000163502510 442170672 /nfs/dbraw/zinc/17/06/72/442170672.db2.gz HSDHQGJZUUQGMJ-UHFFFAOYSA-N 0 3 326.462 1.688 20 10 EDCDHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)c1 ZINC000179894365 442516559 /nfs/dbraw/zinc/51/65/59/442516559.db2.gz OFEFNJQBFULZIV-OAHLLOKOSA-N 0 3 348.443 1.862 20 10 EDCDHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)c1 ZINC000179894365 442516562 /nfs/dbraw/zinc/51/65/62/442516562.db2.gz OFEFNJQBFULZIV-OAHLLOKOSA-N 0 3 348.443 1.862 20 10 EDCDHN COc1ccc([O-])c(C[N@H+](C)C2CCN(S(C)(=O)=O)CC2)c1 ZINC000180722502 442652360 /nfs/dbraw/zinc/65/23/60/442652360.db2.gz QNSMCXWLQCWBNI-UHFFFAOYSA-N 0 3 328.434 1.257 20 10 EDCDHN COc1ccc([O-])c(C[N@@H+](C)C2CCN(S(C)(=O)=O)CC2)c1 ZINC000180722502 442652364 /nfs/dbraw/zinc/65/23/64/442652364.db2.gz QNSMCXWLQCWBNI-UHFFFAOYSA-N 0 3 328.434 1.257 20 10 EDCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)c([O-])c1 ZINC000185050452 443125746 /nfs/dbraw/zinc/12/57/46/443125746.db2.gz SUKNWHJOSYLILI-ZDUSSCGKSA-N 0 3 341.411 1.767 20 10 EDCDHN C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000282434600 443338293 /nfs/dbraw/zinc/33/82/93/443338293.db2.gz UDJRLLILHHDJQB-CYBMUJFWSA-N 0 3 336.436 1.977 20 10 EDCDHN CCOc1cccc(CN2C[C@H](CO)C[C@H](OCCOC)C2)c1O ZINC000278812759 443449495 /nfs/dbraw/zinc/44/94/95/443449495.db2.gz YSMCUKXYZDQSNE-ZBFHGGJFSA-N 0 3 339.432 1.637 20 10 EDCDHN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H](N)C1CCOCC1 ZINC000282845432 443449841 /nfs/dbraw/zinc/44/98/41/443449841.db2.gz WTQAZVDTYVTAMH-GOSISDBHSA-N 0 3 347.459 1.236 20 10 EDCDHN C[C@@H]1C[C@H](N(C)C(=O)C(=O)NCc2ccc(N(C)C)cc2)CCN1C ZINC000283564618 443662135 /nfs/dbraw/zinc/66/21/35/443662135.db2.gz RLEPBNFVTALSGS-RHSMWYFYSA-N 0 3 346.475 1.310 20 10 EDCDHN CCN(CC)c1ccc(CNC(=O)[C@@H](N)CCC(=O)OC)cc1F ZINC000289721630 444195246 /nfs/dbraw/zinc/19/52/46/444195246.db2.gz GDPLDVOCYUBZQZ-AWEZNQCLSA-N 0 3 339.411 1.569 20 10 EDCDHN O=S(=O)(C1CC1)N1CCC[C@@H]([NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000296636373 444244962 /nfs/dbraw/zinc/24/49/62/444244962.db2.gz BTBTXJAUDGAJLD-HIFRSBDPSA-N 0 3 336.457 1.926 20 10 EDCDHN Cc1cc([O-])c(C[NH2+]C[C@@]2(N3CCOCC3)CCCOC2)cc1C ZINC000362224244 446272538 /nfs/dbraw/zinc/27/25/38/446272538.db2.gz XEZSKCUBKNDZBJ-IBGZPJMESA-N 0 3 334.460 1.980 20 10 EDCDHN COc1cccc(C[NH2+]C2CCN(CCN3CCOCC3)CC2)c1[O-] ZINC000368051758 446622426 /nfs/dbraw/zinc/62/24/26/446622426.db2.gz PSVWQEQVHZTSDU-UHFFFAOYSA-N 0 3 349.475 1.287 20 10 EDCDHN CN1CCCc2cc(CNC(=O)[C@H]3CN4CCN3CCC4)ccc21 ZINC000372358347 447048771 /nfs/dbraw/zinc/04/87/71/447048771.db2.gz RGGAWQMYFIZNBP-GOSISDBHSA-N 0 3 328.460 1.075 20 10 EDCDHN CCN1CCN(CCC(=O)NCc2ccc(N(C)C)c(F)c2)CC1 ZINC000101662957 529141204 /nfs/dbraw/zinc/14/12/04/529141204.db2.gz UYHXVQIGALTXCL-UHFFFAOYSA-N 0 3 336.455 1.536 20 10 EDCDHN COc1ccc(O)c([C@H](C)NC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c1 ZINC000729502569 578578085 /nfs/dbraw/zinc/57/80/85/578578085.db2.gz BAESEBFFQZJDQC-GUTXKFCHSA-N 0 3 349.431 1.624 20 10 EDCDHN O=C(CN(Cc1ccccc1O)C1CCCC1)N1CCNC(=O)C1 ZINC000731845502 578681309 /nfs/dbraw/zinc/68/13/09/578681309.db2.gz BJCOHCNLKPFYTE-UHFFFAOYSA-N 0 3 331.416 1.095 20 10 EDCDHN COCCN1CC[C@@H](NC(=O)N[C@@H](C)c2cc(OC)ccc2O)C1 ZINC000736663790 579009855 /nfs/dbraw/zinc/00/98/55/579009855.db2.gz AHHMXVCWVCMMGZ-QWHCGFSZSA-N 0 3 337.420 1.482 20 10 EDCDHN COC(=O)C[C@@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)C1CC1 ZINC000754516625 579905152 /nfs/dbraw/zinc/90/51/52/579905152.db2.gz MVTBFGMSKOTQPR-QGZVFWFLSA-N 0 3 347.459 1.642 20 10 EDCDHN COCC(=O)NC1CCN(Cc2cc(OC)c(OC)cc2O)CC1 ZINC000768440106 580212839 /nfs/dbraw/zinc/21/28/39/580212839.db2.gz SNDPKJIGKPIKEM-UHFFFAOYSA-N 0 3 338.404 1.136 20 10 EDCDHN COC(=O)C[C@@]1(NCc2ccc(N3CCOCC3)cc2)CCCOC1 ZINC000770682026 580267572 /nfs/dbraw/zinc/26/75/72/580267572.db2.gz YIDBVUPQKPKTMY-IBGZPJMESA-N 0 3 348.443 1.725 20 10 EDCDHN C[C@@H](N[C@@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1)c1ccc(N(C)C)cc1 ZINC000774483879 580363300 /nfs/dbraw/zinc/36/33/00/580363300.db2.gz MJPKAVVEJOHREN-IJEWVQPXSA-N 0 3 346.475 1.516 20 10 EDCDHN COc1ccc(O)c([C@H](C)NCC(=O)NCC(=O)NC(C)(C)C)c1 ZINC000775372667 580389574 /nfs/dbraw/zinc/38/95/74/580389574.db2.gz FYMMHVGTXDQYAH-NSHDSACASA-N 0 3 337.420 1.082 20 10 EDCDHN CCOc1ccc(C[NH2+][C@@H]2CCN(C3CCOCC3)C2=O)c([O-])c1 ZINC000776229756 580412137 /nfs/dbraw/zinc/41/21/37/580412137.db2.gz CTWLWEUQKGHPJJ-MRXNPFEDSA-N 0 3 334.416 1.660 20 10 EDCDHN Cc1cccc(C[NH2+][C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)c1[O-] ZINC000779432694 580485594 /nfs/dbraw/zinc/48/55/94/580485594.db2.gz ZTVDJTMBPUJHFM-GOEBONIOSA-N 0 3 325.430 1.527 20 10 EDCDHN CN(C)CCOC1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1 ZINC000779516681 580487663 /nfs/dbraw/zinc/48/76/63/580487663.db2.gz GQPXECLBPBUVNP-XQRVVYSFSA-N 0 3 334.416 1.680 20 10 EDCDHN CC(C)(C)[C@H](O)C[C@@H](CO)NCc1ccc(N2CCOCC2)cc1 ZINC000790618874 580774014 /nfs/dbraw/zinc/77/40/14/580774014.db2.gz IUHDJOTUCLIQKG-FUHWJXTLSA-N 0 3 336.476 1.771 20 10 EDCDHN CCOc1ccc(C[N@@H+]2C[C@H]3COCC[C@@]3(C(=O)OC)C2)c([O-])c1 ZINC000793344276 580842523 /nfs/dbraw/zinc/84/25/23/580842523.db2.gz LFZFAJVTXHHDLL-KBXCAEBGSA-N 0 3 335.400 1.802 20 10 EDCDHN CCOc1ccc(C[N@H+]2C[C@H]3COCC[C@@]3(C(=O)OC)C2)c([O-])c1 ZINC000793344276 580842524 /nfs/dbraw/zinc/84/25/24/580842524.db2.gz LFZFAJVTXHHDLL-KBXCAEBGSA-N 0 3 335.400 1.802 20 10 EDCDHN COc1cnccc1N1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000793372214 580842972 /nfs/dbraw/zinc/84/29/72/580842972.db2.gz ZTISTEUPWKJUOS-UHFFFAOYSA-N 0 3 343.383 1.847 20 10 EDCDHN C[C@H](O)CN1CCN(Cc2ccc(N3CCN(C)CC3)cc2)[C@@H](C)C1 ZINC000793588279 580848337 /nfs/dbraw/zinc/84/83/37/580848337.db2.gz IHPWXPGJTOZDKG-ROUUACIJSA-N 0 3 346.519 1.325 20 10 EDCDHN CN(C)c1ccc(CNC[C@H]2CCCCN2S(C)(=O)=O)cc1F ZINC000796514004 580955467 /nfs/dbraw/zinc/95/54/67/580955467.db2.gz SPMOEBOJLJCLID-CQSZACIVSA-N 0 3 343.468 1.795 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)NCc2ccnn2C)N(C)C)cc1 ZINC000891970238 590715468 /nfs/dbraw/zinc/71/54/68/590715468.db2.gz CPJOHEWCKITSJZ-QGZVFWFLSA-N 0 3 344.463 1.588 20 10 EDCDHN Cc1ncc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c(N)n1 ZINC000891246828 591015550 /nfs/dbraw/zinc/01/55/50/591015550.db2.gz PYKNPXOTCHWYRA-MRXNPFEDSA-N 0 3 342.447 1.466 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cc3n(n2)CCO3)N(C)C)cc1 ZINC000891247047 591016241 /nfs/dbraw/zinc/01/62/41/591016241.db2.gz GXTSTAMNVYUNDA-MRXNPFEDSA-N 0 3 343.431 1.374 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)CCCCC(N)=O)N(C)C)cc1 ZINC000891247128 591016864 /nfs/dbraw/zinc/01/68/64/591016864.db2.gz FJNCMVUQIURGHI-INIZCTEOSA-N 0 3 334.464 1.517 20 10 EDCDHN Cc1nn(C)cc1CC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891248901 591018765 /nfs/dbraw/zinc/01/87/65/591018765.db2.gz OKEMHVIPHPEDFI-GOSISDBHSA-N 0 3 343.475 1.756 20 10 EDCDHN COc1cncc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)n1 ZINC000891250053 591018874 /nfs/dbraw/zinc/01/88/74/591018874.db2.gz YMQXTDAMEDNVPR-MRXNPFEDSA-N 0 3 343.431 1.584 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)C[C@@H]2COC(=O)C2)N(C)C)cc1 ZINC000891252672 591020614 /nfs/dbraw/zinc/02/06/14/591020614.db2.gz MBQKVGFFNKQBPM-BBRMVZONSA-N 0 3 333.432 1.425 20 10 EDCDHN COc1ccc(C[NH2+][C@H](C)C2CCN(S(C)(=O)=O)CC2)c([O-])c1 ZINC000894184988 591220012 /nfs/dbraw/zinc/22/00/12/591220012.db2.gz IJAIKGDMSGXPPB-GFCCVEGCSA-N 0 3 342.461 1.551 20 10 EDCDHN O=C(NCc1cc(Br)ccc1[O-])N[C@H]1CCC[NH2+]C1 ZINC000841941028 591347024 /nfs/dbraw/zinc/34/70/24/591347024.db2.gz JWTLVEHLPSUGMG-NSHDSACASA-N 0 3 328.210 1.706 20 10 EDCDHN COc1ccc(CN2CCC(C(=O)N(C)OC)CC2)c(O)c1OC ZINC000894570428 591347806 /nfs/dbraw/zinc/34/78/06/591347806.db2.gz ZZIPWTWXNVGTNA-UHFFFAOYSA-N 0 3 338.404 1.641 20 10 EDCDHN CN(C)c1ccc([C@@H](CNCc2nnn(C(C)(C)C)n2)N(C)C)cc1 ZINC000898448434 591352569 /nfs/dbraw/zinc/35/25/69/591352569.db2.gz SBVNKKLSLROFQF-MRXNPFEDSA-N 0 3 345.495 1.887 20 10 EDCDHN CN(C)c1ccc([C@@H](CN[C@@H]2CCCS(=O)(=O)C2)N(C)C)cc1 ZINC000898449869 591353243 /nfs/dbraw/zinc/35/32/43/591353243.db2.gz KQULUTXRFDSMOV-NVXWUHKLSA-N 0 3 339.505 1.522 20 10 EDCDHN NC(=O)C1CCN(c2ccc(CNc3ccncc3CO)cc2)CC1 ZINC000895218746 591660941 /nfs/dbraw/zinc/66/09/41/591660941.db2.gz NHRVJNOYZJBHJQ-UHFFFAOYSA-N 0 3 340.427 1.310 20 10 EDCDHN CC[C@@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C(=O)NC ZINC000899097487 591678036 /nfs/dbraw/zinc/67/80/36/591678036.db2.gz BGYVIOPOSGBIFB-HZPDHXFCSA-N 0 3 349.479 1.179 20 10 EDCDHN CC[C@@](C)(O)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899102201 591682734 /nfs/dbraw/zinc/68/27/34/591682734.db2.gz OAUOXBSCGBWANY-FUHWJXTLSA-N 0 3 336.480 1.816 20 10 EDCDHN C[C@@H](CCO)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899101823 591682739 /nfs/dbraw/zinc/68/27/39/591682739.db2.gz MOJSLTHGMVMVBF-YOEHRIQHSA-N 0 3 336.480 1.673 20 10 EDCDHN CCCN(CCO)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899102861 591683659 /nfs/dbraw/zinc/68/36/59/591683659.db2.gz SWWKNUHXCJVAKG-QGZVFWFLSA-N 0 3 336.480 1.769 20 10 EDCDHN CCN1CN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CC1=O ZINC000899099043 591688823 /nfs/dbraw/zinc/68/88/23/591688823.db2.gz UWRFNONJAIWUJD-MRXNPFEDSA-N 0 3 347.463 1.187 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)NC[C@@H](O)C2CC2)N(C)C)cc1 ZINC000899101058 591689737 /nfs/dbraw/zinc/68/97/37/591689737.db2.gz HOVZBEOTOCMBMS-IAGOWNOFSA-N 0 3 334.464 1.425 20 10 EDCDHN CCOc1ccc(C[NH+]2CCC3(CC2)C[C@H](O)CNC3=O)c([O-])c1 ZINC000897041811 591722099 /nfs/dbraw/zinc/72/20/99/591722099.db2.gz MVUNKTLDUJAJKV-AWEZNQCLSA-N 0 3 334.416 1.254 20 10 EDCDHN COc1ccc(CN2CC[C@@H](CN3CCCC3=O)C2)c(O)c1OC ZINC000895448650 591761206 /nfs/dbraw/zinc/76/12/06/591761206.db2.gz JJDROABQSGIFOY-CYBMUJFWSA-N 0 3 334.416 1.854 20 10 EDCDHN COc1cccc([C@@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2[C@H]2CCCO2)c1[O-] ZINC000903107791 592120790 /nfs/dbraw/zinc/12/07/90/592120790.db2.gz FIRVTXTZBKNDBK-LSCFUAHRSA-N 0 3 334.416 1.878 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@@]2(C)CCNC(=O)C2)N(C)C)cc1 ZINC000900863640 592150743 /nfs/dbraw/zinc/15/07/43/592150743.db2.gz PQBVMVXPPMLBEL-APWZRJJASA-N 0 3 346.475 1.388 20 10 EDCDHN CN(C)c1ccc2c(c1)OCCN2C(=O)C[C@@]1(O)CCCN(C)C1 ZINC000900895289 592160218 /nfs/dbraw/zinc/16/02/18/592160218.db2.gz NTOPMSSEXMPRDC-SFHVURJKSA-N 0 3 333.432 1.325 20 10 EDCDHN C[C@]1([C@@H]2CCC[N@H+](Cc3cc4c(cc3[O-])OC[C@H]4O)C2)COC(=O)N1 ZINC000905700629 592614793 /nfs/dbraw/zinc/61/47/93/592614793.db2.gz IPUPHPWZJLPFQY-CDHAZOANSA-N 0 3 348.399 1.529 20 10 EDCDHN C[C@]1([C@@H]2CCC[N@@H+](Cc3cc4c(cc3[O-])OC[C@H]4O)C2)COC(=O)N1 ZINC000905700629 592614794 /nfs/dbraw/zinc/61/47/94/592614794.db2.gz IPUPHPWZJLPFQY-CDHAZOANSA-N 0 3 348.399 1.529 20 10 EDCDHN CC(=O)N[C@@](C)(C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1)C(C)C ZINC000911665135 592973512 /nfs/dbraw/zinc/97/35/12/592973512.db2.gz AFNLUMZQAUQGMV-SJLPKXTDSA-N 0 3 334.464 1.419 20 10 EDCDHN C[C@H]1NCCn2c(C(=O)NC[C@@H](N)c3ccc(N(C)C)cc3)ccc21 ZINC000911667379 592974107 /nfs/dbraw/zinc/97/41/07/592974107.db2.gz QKCJNODPPFBVKC-CZUORRHYSA-N 0 3 341.459 1.648 20 10 EDCDHN COc1ccc(CCC(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)cn1 ZINC000911667326 592974171 /nfs/dbraw/zinc/97/41/71/592974171.db2.gz PWXZFTJMHBGGHP-QGZVFWFLSA-N 0 3 342.443 1.905 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNC(=O)C[C@](C)(O)C(F)(F)F)cc1 ZINC000911667723 592974543 /nfs/dbraw/zinc/97/45/43/592974543.db2.gz RDDAMTINJPHZMG-OCCSQVGLSA-N 0 3 333.354 1.572 20 10 EDCDHN CN(C)c1ccc(CNC[C@H](O)Cn2ccnn2)c(C(F)(F)F)c1 ZINC000839179707 593271939 /nfs/dbraw/zinc/27/19/39/593271939.db2.gz ONJMIVOCCQZZCT-ZDUSSCGKSA-N 0 3 343.353 1.514 20 10 EDCDHN CCOc1ccc(C[N@@H+]2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)c([O-])c1 ZINC000809705093 593355871 /nfs/dbraw/zinc/35/58/71/593355871.db2.gz NZWTXOGTHRLNNY-ACJLOTCBSA-N 0 3 347.415 1.744 20 10 EDCDHN CCOc1ccc(C[N@H+]2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)c([O-])c1 ZINC000809705093 593355873 /nfs/dbraw/zinc/35/58/73/593355873.db2.gz NZWTXOGTHRLNNY-ACJLOTCBSA-N 0 3 347.415 1.744 20 10 EDCDHN CCN(CCNC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1)C1CC1 ZINC000804222978 593398334 /nfs/dbraw/zinc/39/83/34/593398334.db2.gz GANZACZCANZPKE-CQSZACIVSA-N 0 3 346.475 1.530 20 10 EDCDHN CCOC(=O)[C@@H]1NCC[C@@H]1NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000818614592 593708036 /nfs/dbraw/zinc/70/80/36/593708036.db2.gz CMXMCPNUWSNFIJ-JCGIZDLHSA-N 0 3 347.459 1.405 20 10 EDCDHN COC(=O)Cn1cc(CN(C)c2ccc(OCCN(C)C)cc2)nn1 ZINC000824161664 593942065 /nfs/dbraw/zinc/94/20/65/593942065.db2.gz ONWNWWMTZPWGIK-UHFFFAOYSA-N 0 3 347.419 1.028 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@@H](CO)[C@H]1CC)cc2=O ZINC000830715128 594463020 /nfs/dbraw/zinc/46/30/20/594463020.db2.gz VTRYBRHDARAUTN-SMDDNHRTSA-N 0 3 348.403 1.204 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)c2cn3c(n2)CCCC3)cc1 ZINC000832284053 594740246 /nfs/dbraw/zinc/74/02/46/594740246.db2.gz HDUXQAJOHYPRCN-HNNXBMFYSA-N 0 3 327.432 1.715 20 10 EDCDHN Cc1cc(N(C)C)ccc1CN1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000841098947 594850974 /nfs/dbraw/zinc/85/09/74/594850974.db2.gz AJLLQBCDANDDOA-GOSISDBHSA-N 0 3 328.464 1.948 20 10 EDCDHN CN1CCCc2cc(CNC(=O)N[C@H]3CNCCC3(F)F)ccc21 ZINC000841760653 594948147 /nfs/dbraw/zinc/94/81/47/594948147.db2.gz XJBXQIRVVUWODI-HNNXBMFYSA-N 0 3 338.402 1.865 20 10 EDCDHN O=C(NCc1cc(Br)ccc1[O-])N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000841999364 594998367 /nfs/dbraw/zinc/99/83/67/594998367.db2.gz HWJRURXFOJNGBS-IAZYJMLFSA-N 0 3 326.194 1.172 20 10 EDCDHN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](CN)CC(C)C ZINC000842250003 595054993 /nfs/dbraw/zinc/05/49/93/595054993.db2.gz RCOXVKZZQBIRLQ-HNNXBMFYSA-N 0 3 335.448 1.620 20 10 EDCDHN C[C@H]1CCn2ncc(C(=O)NC[C@@H](N)c3ccc(N(C)C)cc3)c2C1 ZINC000843296579 595065318 /nfs/dbraw/zinc/06/53/18/595065318.db2.gz BEXHVAQWCUOOJM-SUMWQHHRSA-N 0 3 341.459 1.961 20 10 EDCDHN CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2c([O-])cccc2OC)C1 ZINC000843432600 595109419 /nfs/dbraw/zinc/10/94/19/595109419.db2.gz NZVPQBMVNXUPQU-AWEZNQCLSA-N 0 3 332.322 1.901 20 10 EDCDHN CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2c([O-])cccc2OC)C1 ZINC000843432600 595109421 /nfs/dbraw/zinc/10/94/21/595109421.db2.gz NZVPQBMVNXUPQU-AWEZNQCLSA-N 0 3 332.322 1.901 20 10 EDCDHN COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000843489223 595127810 /nfs/dbraw/zinc/12/78/10/595127810.db2.gz JEPJOTBRQTVVBB-MFKMUULPSA-N 0 3 340.807 1.545 20 10 EDCDHN COc1ccc(N2CC[C@H](CNC(=O)COC3(C)CNC3)C2)cc1 ZINC000843504796 595134682 /nfs/dbraw/zinc/13/46/82/595134682.db2.gz HUPICLRAIJBXSY-CQSZACIVSA-N 0 3 333.432 1.016 20 10 EDCDHN COc1cccc([C@@H](C)[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)c1[O-] ZINC000846156220 595160517 /nfs/dbraw/zinc/16/05/17/595160517.db2.gz CQHDOEFUZKUEBZ-VXGBXAGGSA-N 0 3 328.434 1.333 20 10 EDCDHN CN1CCN(c2ccc(CN[C@@H]3CCN(C(C)(C)C)C3=O)cc2)CC1 ZINC000842720173 595179899 /nfs/dbraw/zinc/17/98/99/595179899.db2.gz CYZUBVPVKGRAIG-GOSISDBHSA-N 0 3 344.503 1.927 20 10 EDCDHN CC[C@@H](CS(=O)(=O)NC[C@@H](N)c1ccc(N(C)C)cc1)OC ZINC000842786325 595197969 /nfs/dbraw/zinc/19/79/69/595197969.db2.gz WSHWSBKBKYKOHL-LSDHHAIUSA-N 0 3 329.466 1.097 20 10 EDCDHN C[C@H](CNCc1ccc(N2CCC(CO)CC2)cc1)S(C)(=O)=O ZINC000843066441 595279166 /nfs/dbraw/zinc/27/91/66/595279166.db2.gz XHMAEFNAWQFXER-CQSZACIVSA-N 0 3 340.489 1.418 20 10 EDCDHN COc1ccc(N(C)CCN(C)C(=O)C[C@@H]2CSCCN2)cc1 ZINC000846697775 595303413 /nfs/dbraw/zinc/30/34/13/595303413.db2.gz WAOSDYCQKPZZAW-CQSZACIVSA-N 0 3 337.489 1.685 20 10 EDCDHN COc1ccc(N2CCN(C(=O)CN[C@@H]3C[C@H](O)C3(C)C)CC2)cc1 ZINC000846957366 595342682 /nfs/dbraw/zinc/34/26/82/595342682.db2.gz FRVWGLRFJYLMBZ-SJORKVTESA-N 0 3 347.459 1.093 20 10 EDCDHN CCc1cccc(C[NH2+]C2CCN(S(=O)(=O)CC)CC2)c1[O-] ZINC000848893188 595464347 /nfs/dbraw/zinc/46/43/47/595464347.db2.gz RSKFCPPACVMBHC-UHFFFAOYSA-N 0 3 326.462 1.858 20 10 EDCDHN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C1=NO[C@@H](CN)C1 ZINC000852789389 595543548 /nfs/dbraw/zinc/54/35/48/595543548.db2.gz DDWQTRZILIQQIA-MRXNPFEDSA-N 0 3 330.432 1.739 20 10 EDCDHN CSCC[C@@H](N)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000852868442 595588543 /nfs/dbraw/zinc/58/85/43/595588543.db2.gz FLBLDYXXQMJYBZ-MRXNPFEDSA-N 0 3 337.489 1.344 20 10 EDCDHN CCN1CCN(C[C@@H](C)CNC(=O)NCc2cc(C)ccc2O)CC1 ZINC000858278359 595750638 /nfs/dbraw/zinc/75/06/38/595750638.db2.gz WVZAXYRBQBDHIC-INIZCTEOSA-N 0 3 348.491 1.773 20 10 EDCDHN O=C1[C@@H](NCc2ccc(N3CCOCC3)cc2)CCN1C1CCC1 ZINC000858341019 595768824 /nfs/dbraw/zinc/76/88/24/595768824.db2.gz VWLVWROOGBEHMN-SFHVURJKSA-N 0 3 329.444 1.766 20 10 EDCDHN O=C1CCCN1C[C@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000853593184 595820914 /nfs/dbraw/zinc/82/09/14/595820914.db2.gz KKYJIGUNOYECRU-BLLLJJGKSA-N 0 3 332.400 1.262 20 10 EDCDHN O=C1CCCN1C[C@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000853593184 595820916 /nfs/dbraw/zinc/82/09/16/595820916.db2.gz KKYJIGUNOYECRU-BLLLJJGKSA-N 0 3 332.400 1.262 20 10 EDCDHN CCOC(=O)C[C@H](O)C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000859190410 595999495 /nfs/dbraw/zinc/99/94/95/595999495.db2.gz JXULWYOIPXFTBA-HOTGVXAUSA-N 0 3 337.416 1.687 20 10 EDCDHN CCOC(=O)C[C@H](O)C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000859190410 595999496 /nfs/dbraw/zinc/99/94/96/595999496.db2.gz JXULWYOIPXFTBA-HOTGVXAUSA-N 0 3 337.416 1.687 20 10 EDCDHN CN(Cc1ccc(N2CCOCC2)cc1)C[C@H](O)C[C@@](C)(O)C1CC1 ZINC000863968191 596736713 /nfs/dbraw/zinc/73/67/13/596736713.db2.gz FKRFWXHPMFURPI-WOJBJXKFSA-N 0 3 348.487 1.867 20 10 EDCDHN COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000866441333 596887438 /nfs/dbraw/zinc/88/74/38/596887438.db2.gz ZOGIVOFJEZYMQL-QFOLPQNPSA-N 0 3 338.379 1.735 20 10 EDCDHN C[C@H](NC(=O)NCCN1CCN(C)C(C)(C)C1)c1ccccc1O ZINC000868578724 596887953 /nfs/dbraw/zinc/88/79/53/596887953.db2.gz HZZQIMJOZAGLEJ-AWEZNQCLSA-N 0 3 334.464 1.778 20 10 EDCDHN NC(=O)Cc1cccc2c1CCN(Cc1cc3c(cc1O)OCO3)C2 ZINC000872657872 597014080 /nfs/dbraw/zinc/01/40/80/597014080.db2.gz LAUWLUBDHRBLQM-UHFFFAOYSA-N 0 3 340.379 1.707 20 10 EDCDHN CCC[C@@H](O)[C@@H](CO)NCc1ccc(OC)c(Cn2cccn2)c1 ZINC000873130466 597206796 /nfs/dbraw/zinc/20/67/96/597206796.db2.gz DPJCSBHRKUJOST-IAGOWNOFSA-N 0 3 333.432 1.552 20 10 EDCDHN C[C@@H](O)CN1CCN(Cc2ccc(N3CCC(O)CC3)cc2)[C@H](C)C1 ZINC000877489585 597524226 /nfs/dbraw/zinc/52/42/26/597524226.db2.gz VPZZFBGUSJHEEO-IAGOWNOFSA-N 0 3 347.503 1.535 20 10 EDCDHN COc1ccc(C[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)c([O-])c1 ZINC000877493353 597524748 /nfs/dbraw/zinc/52/47/48/597524748.db2.gz KQQSHOYKUZCQFU-UHFFFAOYSA-N 0 3 342.461 1.741 20 10 EDCDHN CO[C@]1(CO)CCCN(Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877624373 597542341 /nfs/dbraw/zinc/54/23/41/597542341.db2.gz OJPWGIRIKBFKSP-LJQANCHMSA-N 0 3 334.460 1.621 20 10 EDCDHN CS(=O)(=O)C[C@@H](O)CNCc1ccc(N2CCCCC2)cc1 ZINC000922827962 704391429 /nfs/dbraw/zinc/39/14/29/704391429.db2.gz XHTRGOCFNQDKJN-INIZCTEOSA-N 0 3 326.462 1.172 20 10 EDCDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NCc1ccc2c(c1)CCN2C ZINC000372489778 250220705 /nfs/dbraw/zinc/22/07/05/250220705.db2.gz HYLCIZQBWUSXRW-CXAGYDPISA-N 0 3 328.460 1.961 20 10 EDCDHN O=C1N[C@H]2CN(Cc3ccc(N4CCOCC4)cc3)CC[C@@H]2CO1 ZINC000369701462 250203852 /nfs/dbraw/zinc/20/38/52/250203852.db2.gz DZVKZZRXXBLXAK-WBVHZDCISA-N 0 3 331.416 1.454 20 10 EDCDHN CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@H](N(C)C)C2)cc1 ZINC000078642408 441956831 /nfs/dbraw/zinc/95/68/31/441956831.db2.gz DFXZWNFTSFMYFW-SFHVURJKSA-N 0 3 332.492 1.737 20 10 EDCDHN CC[C@H](N)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000165489055 442209393 /nfs/dbraw/zinc/20/93/93/442209393.db2.gz NDATVGQSYXYMJI-AWEZNQCLSA-N 0 3 345.365 1.896 20 10 EDCDHN COCCN(C)CCNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000171203496 442327484 /nfs/dbraw/zinc/32/74/84/442327484.db2.gz ZZQATAUECNNHMI-UHFFFAOYSA-N 0 3 326.416 1.269 20 10 EDCDHN Cc1cc(O)c(CN2CCCC[C@H]2CNS(C)(=O)=O)cc1C ZINC000263990661 443244182 /nfs/dbraw/zinc/24/41/82/443244182.db2.gz GJRNJJJMUSEAEU-HNNXBMFYSA-N 0 3 326.462 1.913 20 10 EDCDHN C[C@H]([NH2+][C@@H]1CCCN(c2nccn(C)c2=O)C1)c1ccccc1[O-] ZINC000278882993 443472059 /nfs/dbraw/zinc/47/20/59/443472059.db2.gz CUIIPLXJOPFALO-UONOGXRCSA-N 0 3 328.416 1.806 20 10 EDCDHN C[C@H]([NH2+][C@H]1CCCN(c2nccn(C)c2=O)C1)c1ccccc1[O-] ZINC000278882986 443471585 /nfs/dbraw/zinc/47/15/85/443471585.db2.gz CUIIPLXJOPFALO-KBPBESRZSA-N 0 3 328.416 1.806 20 10 EDCDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H](C)CN2CCN(C)CC2)c1 ZINC000273601736 443582264 /nfs/dbraw/zinc/58/22/64/443582264.db2.gz SBIHIKNBDDNJPS-CABCVRRESA-N 0 3 349.475 1.713 20 10 EDCDHN COc1ccc(N2CCN(C(=O)CN(C)CCCCCO)CC2)cc1 ZINC000279765567 443626239 /nfs/dbraw/zinc/62/62/39/443626239.db2.gz SCNWKVRSBJXIKQ-UHFFFAOYSA-N 0 3 349.475 1.438 20 10 EDCDHN C[C@H]1C[C@@H](N(C)C(=O)C(=O)NCc2ccc(N(C)C)cc2)CCN1C ZINC000283564620 443662155 /nfs/dbraw/zinc/66/21/55/443662155.db2.gz RLEPBNFVTALSGS-YOEHRIQHSA-N 0 3 346.475 1.310 20 10 EDCDHN COc1cc(O)c(CN2CCC[C@@H](n3cc(CO)nn3)C2)cc1OC ZINC000293631299 444075278 /nfs/dbraw/zinc/07/52/78/444075278.db2.gz LMFUEMKUJHLZGE-CQSZACIVSA-N 0 3 348.403 1.330 20 10 EDCDHN Oc1cc2c(cc1CNC[C@H](N1CCOCC1)C(F)(F)F)OCO2 ZINC000285641103 444057390 /nfs/dbraw/zinc/05/73/90/444057390.db2.gz ZIPHWKFOOAOPJN-AWEZNQCLSA-N 0 3 348.321 1.474 20 10 EDCDHN COc1ccc(N2CCN(CCCNCc3cnn(C)n3)CC2)cc1 ZINC000293686694 444084269 /nfs/dbraw/zinc/08/42/69/444084269.db2.gz AZAIDAHHHHMPLA-UHFFFAOYSA-N 0 3 344.463 1.126 20 10 EDCDHN COc1c([O-])c(C[N@@H+]2CCCN([C@H](C)CO)CC2)ccc1[N+](=O)[O-] ZINC000364590742 445935886 /nfs/dbraw/zinc/93/58/86/445935886.db2.gz QRXSLQMCZYDTLF-GFCCVEGCSA-N 0 3 339.392 1.198 20 10 EDCDHN COc1c([O-])c(C[N@H+]2CCCN([C@H](C)CO)CC2)ccc1[N+](=O)[O-] ZINC000364590742 445935890 /nfs/dbraw/zinc/93/58/90/445935890.db2.gz QRXSLQMCZYDTLF-GFCCVEGCSA-N 0 3 339.392 1.198 20 10 EDCDHN CN(CCN1C[C@H]2CC[C@@H](C1)O2)Cc1ccc(N2CCOCC2)cc1 ZINC000366693277 446313221 /nfs/dbraw/zinc/31/32/21/446313221.db2.gz FVUUULZUWCSGKS-BGYRXZFFSA-N 0 3 345.487 1.818 20 10 EDCDHN NC1(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CC1 ZINC000370778200 446436439 /nfs/dbraw/zinc/43/64/39/446436439.db2.gz DFBBWIDZASKAES-UHFFFAOYSA-N 0 3 325.359 1.864 20 10 EDCDHN CCN1CCN(C2CCN(Cc3cc4c(cc3O)OCO4)CC2)C1=O ZINC000371701814 446950173 /nfs/dbraw/zinc/95/01/73/446950173.db2.gz ZNKFLFAKZBPYII-UHFFFAOYSA-N 0 3 347.415 1.843 20 10 EDCDHN Cc1ccc(O)c(CN2CCCN(CC(=O)N3CCCC3)CC2)c1 ZINC000129320865 534192886 /nfs/dbraw/zinc/19/28/86/534192886.db2.gz LEOMTQUWFQCNQY-UHFFFAOYSA-N 0 3 331.460 1.831 20 10 EDCDHN Cc1ccc([O-])c(C[N@@H+]2CCCN(CC(=O)N3CCCC3)CC2)c1 ZINC000129320865 534192889 /nfs/dbraw/zinc/19/28/89/534192889.db2.gz LEOMTQUWFQCNQY-UHFFFAOYSA-N 0 3 331.460 1.831 20 10 EDCDHN Cc1ccc([O-])c(C[N@H+]2CCCN(CC(=O)N3CCCC3)CC2)c1 ZINC000129320865 534192894 /nfs/dbraw/zinc/19/28/94/534192894.db2.gz LEOMTQUWFQCNQY-UHFFFAOYSA-N 0 3 331.460 1.831 20 10 EDCDHN C[C@H](NC[C@H](O)C[NH+](C)C)c1cc(Br)c(F)cc1[O-] ZINC000756557942 579060665 /nfs/dbraw/zinc/06/06/65/579060665.db2.gz YOOQABPQHJLUPF-IUCAKERBSA-N 0 3 335.217 1.867 20 10 EDCDHN COCCN(C)CCCNC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000729047915 578557244 /nfs/dbraw/zinc/55/72/44/578557244.db2.gz QQTPOQPVTFFVQK-ZDUSSCGKSA-N 0 3 339.436 1.729 20 10 EDCDHN O=C(CN1CCCC1)N1CCN(Cc2cc3c(cc2O)CCC3)CC1 ZINC000738160292 579166323 /nfs/dbraw/zinc/16/63/23/579166323.db2.gz IEKHPHHUVWKFCU-UHFFFAOYSA-N 0 3 343.471 1.621 20 10 EDCDHN COc1ccc(N2CCN(C(=O)CN3C[C@H](C)[C@@H](C)C3)CC2)cc1 ZINC000752076076 579837140 /nfs/dbraw/zinc/83/71/40/579837140.db2.gz NJLMURSDNWOGHR-HOTGVXAUSA-N 0 3 331.460 1.932 20 10 EDCDHN C[C@@H]([NH2+]CCNS(=O)(=O)Cc1ccon1)c1cc(F)ccc1[O-] ZINC000756643113 579954136 /nfs/dbraw/zinc/95/41/36/579954136.db2.gz RLCHTRXRFCMYCI-SNVBAGLBSA-N 0 3 343.380 1.290 20 10 EDCDHN C[C@H]([NH2+]C[C@]1(O)CCN(C)C1)c1cc(Br)ccc1[O-] ZINC000762786604 580083119 /nfs/dbraw/zinc/08/31/19/580083119.db2.gz JWVKZIYZGRYIQB-IINYFYTJSA-N 0 3 329.238 1.872 20 10 EDCDHN COC[C@](C)(O)CN[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000765939962 580154308 /nfs/dbraw/zinc/15/43/08/580154308.db2.gz USXKTGJZYXNKOD-CXAGYDPISA-N 0 3 326.412 1.710 20 10 EDCDHN O=C(NCC1CC1)[C@@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768438498 580212664 /nfs/dbraw/zinc/21/26/64/580212664.db2.gz ANXDJIXBGJFWRU-DYVFJYSZSA-N 0 3 346.427 1.556 20 10 EDCDHN O=C(NCC1CC1)[C@@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768438498 580212665 /nfs/dbraw/zinc/21/26/65/580212665.db2.gz ANXDJIXBGJFWRU-DYVFJYSZSA-N 0 3 346.427 1.556 20 10 EDCDHN O=C(NCC1CC1)[C@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768438503 580212681 /nfs/dbraw/zinc/21/26/81/580212681.db2.gz ANXDJIXBGJFWRU-SUMWQHHRSA-N 0 3 346.427 1.556 20 10 EDCDHN O=C(NCC1CC1)[C@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768438503 580212682 /nfs/dbraw/zinc/21/26/82/580212682.db2.gz ANXDJIXBGJFWRU-SUMWQHHRSA-N 0 3 346.427 1.556 20 10 EDCDHN O=C1CCCN1C1CC[NH+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000768452850 580213508 /nfs/dbraw/zinc/21/35/08/580213508.db2.gz UCFYRPWVPCTPBP-MRXNPFEDSA-N 0 3 332.400 1.405 20 10 EDCDHN [O-]c1cc2c(cc1C[NH+]1CCC(O[C@@H]3CCOC3)CC1)[C@H](O)CO2 ZINC000768463084 580213847 /nfs/dbraw/zinc/21/38/47/580213847.db2.gz FYEGSEJXBPGRSJ-RHSMWYFYSA-N 0 3 335.400 1.588 20 10 EDCDHN CCN(CCO)CCNCc1ccc(N2CCOCC2)c(F)c1 ZINC000768945295 580224711 /nfs/dbraw/zinc/22/47/11/580224711.db2.gz HWRSEXYTCFGTEJ-UHFFFAOYSA-N 0 3 325.428 1.066 20 10 EDCDHN COc1cccc(O)c1CN1CCN(C(=O)CN2CCCC2)CC1 ZINC000769317576 580233512 /nfs/dbraw/zinc/23/35/12/580233512.db2.gz SVWJTFQNEHUQAO-UHFFFAOYSA-N 0 3 333.432 1.141 20 10 EDCDHN CN1CCN(c2ccc(CN[C@H]3CCCS(=O)(=O)C3)cc2)CC1 ZINC000771841684 580296355 /nfs/dbraw/zinc/29/63/55/580296355.db2.gz JJOPUJAMUGDKTO-INIZCTEOSA-N 0 3 337.489 1.105 20 10 EDCDHN COc1ccc(O)c([C@@H](C)N[C@H](C)C(=O)NC(=O)NCC(C)C)c1 ZINC000775370541 580389448 /nfs/dbraw/zinc/38/94/48/580389448.db2.gz HCELFAOKQCQAJY-VXGBXAGGSA-N 0 3 337.420 1.922 20 10 EDCDHN COc1ccc(O)c(CN[C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)c1 ZINC000776225817 580411847 /nfs/dbraw/zinc/41/18/47/580411847.db2.gz ZPTRQUCEEMWXBX-XHDPSFHLSA-N 0 3 330.388 1.418 20 10 EDCDHN COc1ccc(O)c(CN[C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)c1 ZINC000776225813 580411892 /nfs/dbraw/zinc/41/18/92/580411892.db2.gz ZPTRQUCEEMWXBX-IAQYHMDHSA-N 0 3 330.388 1.418 20 10 EDCDHN NS(=O)(=O)[C@@H]1CCN(Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000785985590 580657499 /nfs/dbraw/zinc/65/74/99/580657499.db2.gz NWUSQQAITAJFPW-MRXNPFEDSA-N 0 3 332.425 1.922 20 10 EDCDHN CN1CCN(c2ccc(CN[C@H](CO)C[C@H](O)C(C)(C)C)cc2)CC1 ZINC000790618505 580773996 /nfs/dbraw/zinc/77/39/96/580773996.db2.gz IJHMNAGMTHALSF-HKUYNNGSSA-N 0 3 349.519 1.686 20 10 EDCDHN NC(=O)[C@H]1CCC[N@H+](CCCNCc2c([O-])ccc(Cl)c2F)C1 ZINC000790959481 580782179 /nfs/dbraw/zinc/78/21/79/580782179.db2.gz GKMQQIQTUNBOLT-NSHDSACASA-N 0 3 343.830 1.862 20 10 EDCDHN NC(=O)[C@H]1CCC[N@@H+](CCCNCc2c([O-])ccc(Cl)c2F)C1 ZINC000790959481 580782180 /nfs/dbraw/zinc/78/21/80/580782180.db2.gz GKMQQIQTUNBOLT-NSHDSACASA-N 0 3 343.830 1.862 20 10 EDCDHN NC(=O)[C@H]1CCCN(CCC[NH2+]Cc2c([O-])ccc(Cl)c2F)C1 ZINC000790959481 580782181 /nfs/dbraw/zinc/78/21/81/580782181.db2.gz GKMQQIQTUNBOLT-NSHDSACASA-N 0 3 343.830 1.862 20 10 EDCDHN CCOc1ccc([O-])c(C[NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)c1 ZINC000796513054 580955463 /nfs/dbraw/zinc/95/54/63/580955463.db2.gz JCFUSWSRAVXSDV-AWEZNQCLSA-N 0 3 342.461 1.695 20 10 EDCDHN CCOc1ccc(O)c(CNC[C@@H]2CCCCN2S(C)(=O)=O)c1 ZINC000796513054 580955464 /nfs/dbraw/zinc/95/54/64/580955464.db2.gz JCFUSWSRAVXSDV-AWEZNQCLSA-N 0 3 342.461 1.695 20 10 EDCDHN COC(=O)CC1([NH2+]Cc2ccc(OC)c(OC)c2[O-])CCOCC1 ZINC000893362154 590805198 /nfs/dbraw/zinc/80/51/98/590805198.db2.gz XMXAVPLKKNYICS-UHFFFAOYSA-N 0 3 339.388 1.611 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)[C@]2(C)CCC(=O)N2)N(C)C)cc1 ZINC000891245328 591015142 /nfs/dbraw/zinc/01/51/42/591015142.db2.gz CUBSULAWHLRNDH-YJBOKZPZSA-N 0 3 332.448 1.140 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cncc([O-])c2)[NH+](C)C)cc1 ZINC000891247127 591016882 /nfs/dbraw/zinc/01/68/82/591016882.db2.gz FJDFMXQSNAPHCF-QGZVFWFLSA-N 0 3 328.416 1.886 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)CN(C)C2CCC2)N(C)C)cc1 ZINC000891248497 591017379 /nfs/dbraw/zinc/01/73/79/591017379.db2.gz NKVLTROLOCTHCP-GOSISDBHSA-N 0 3 332.492 1.956 20 10 EDCDHN CC[C@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C(=O)OC ZINC000891250046 591019075 /nfs/dbraw/zinc/01/90/75/591019075.db2.gz YLUSLQNFJPOFPS-HZPDHXFCSA-N 0 3 335.448 1.671 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@]2(C)CCC(=O)NC2)N(C)C)cc1 ZINC000891250760 591019841 /nfs/dbraw/zinc/01/98/41/591019841.db2.gz ZQXNSTKGVHWHPK-VQIMIIECSA-N 0 3 346.475 1.388 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)[C@@]2(C)CCC(=O)NC2)N(C)C)cc1 ZINC000891250755 591019862 /nfs/dbraw/zinc/01/98/62/591019862.db2.gz ZQXNSTKGVHWHPK-LPHOPBHVSA-N 0 3 346.475 1.388 20 10 EDCDHN COC(=O)C[C@]1(NCc2ccc(OC)c(OC)c2O)CCOC1 ZINC000893629991 591020016 /nfs/dbraw/zinc/02/00/16/591020016.db2.gz JUSLEQLUBVIGRX-MRXNPFEDSA-N 0 3 325.361 1.221 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)COC[C@H]2CCCO2)N(C)C)cc1 ZINC000891251916 591020168 /nfs/dbraw/zinc/02/01/68/591020168.db2.gz IBVMQYZTAAHKNZ-MSOLQXFVSA-N 0 3 349.475 1.667 20 10 EDCDHN C=CC(=O)NCCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891254116 591021159 /nfs/dbraw/zinc/02/11/59/591021159.db2.gz VSBNVMRQKSCGKB-INIZCTEOSA-N 0 3 332.448 1.164 20 10 EDCDHN CCN(CC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C1CC1 ZINC000891252330 591021253 /nfs/dbraw/zinc/02/12/53/591021253.db2.gz JNOAHHPHKMKACP-GOSISDBHSA-N 0 3 332.492 1.956 20 10 EDCDHN CN(C)c1ccc(CNC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)cc1 ZINC000891607275 591148321 /nfs/dbraw/zinc/14/83/21/591148321.db2.gz NVMTXTIECSGJFA-ROUUACIJSA-N 0 3 346.475 1.493 20 10 EDCDHN COc1ccc([O-])c(C[NH2+][C@H]2CCCN(CCN3CCOCC3)C2)c1 ZINC000895688161 591249393 /nfs/dbraw/zinc/24/93/93/591249393.db2.gz LKDQBRJPZRXBTN-KRWDZBQOSA-N 0 3 349.475 1.287 20 10 EDCDHN COc1ccc(C[NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)c([O-])c1OC ZINC000893002525 591251572 /nfs/dbraw/zinc/25/15/72/591251572.db2.gz UPVMWNOBJZLPRD-OLZOCXBDSA-N 0 3 343.445 1.855 20 10 EDCDHN COc1cc(C)cc(C[NH2+][C@H]2CCC[C@@H]2CNS(C)(=O)=O)c1[O-] ZINC000894671770 591383164 /nfs/dbraw/zinc/38/31/64/591383164.db2.gz CJZKDIMGIDZGSV-OCCSQVGLSA-N 0 3 342.461 1.517 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)NC[C@@H]2COCO2)N(C)C)cc1 ZINC000896194581 591385948 /nfs/dbraw/zinc/38/59/48/591385948.db2.gz DKQGZZBIRVUDTN-HZPDHXFCSA-N 0 3 336.436 1.027 20 10 EDCDHN CC[C@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)[C@H](C)O ZINC000899097917 591676168 /nfs/dbraw/zinc/67/61/68/591676168.db2.gz IUOFKJZXGOYBRW-RRQGHBQHSA-N 0 3 336.480 1.814 20 10 EDCDHN C[C@H](O)[C@H]1CCCN1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899098418 591688231 /nfs/dbraw/zinc/68/82/31/591688231.db2.gz NQKLDHQKEHTHEU-QGTPRVQTSA-N 0 3 348.491 1.910 20 10 EDCDHN C[C@@H]1C[C@@H](NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CO1 ZINC000895525312 591788914 /nfs/dbraw/zinc/78/89/14/591788914.db2.gz SYQKPYACUAQOQZ-UNEWFSDZSA-N 0 3 334.464 1.832 20 10 EDCDHN O[C@H](CNCc1ccc(N2CCOCC2)cc1)CC1(O)CCCC1 ZINC000905062232 592397746 /nfs/dbraw/zinc/39/77/46/592397746.db2.gz LUSBOXLPDIRQEG-SFHVURJKSA-N 0 3 334.460 1.669 20 10 EDCDHN CN1CCN(c2ccc(CNC[C@H](O)C3(O)CCCC3)cc2)CC1 ZINC000905426234 592531189 /nfs/dbraw/zinc/53/11/89/592531189.db2.gz GCHOZJJLSPKMGA-SFHVURJKSA-N 0 3 333.476 1.194 20 10 EDCDHN C[C@@H]1NCCn2c(C(=O)NC[C@@H](N)c3ccc(N(C)C)cc3)ccc21 ZINC000911667382 592974037 /nfs/dbraw/zinc/97/40/37/592974037.db2.gz QKCJNODPPFBVKC-XJKSGUPXSA-N 0 3 341.459 1.648 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1C[C@H](C)C[C@@H](CO)C1)cc2=O ZINC000817278168 593587681 /nfs/dbraw/zinc/58/76/81/593587681.db2.gz TYNMZTFEAPQJGH-VXGBXAGGSA-N 0 3 348.403 1.062 20 10 EDCDHN CCOC[C@H](O)CNCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000818966566 593730994 /nfs/dbraw/zinc/73/09/94/593730994.db2.gz LFMXLMXTPJSHTH-IJEWVQPXSA-N 0 3 340.439 1.926 20 10 EDCDHN CCOC(=O)[C@H]1CN(Cc2cccc(OCC)c2O)CC12COC2 ZINC000824490021 594024157 /nfs/dbraw/zinc/02/41/57/594024157.db2.gz SISDQNZUAUQEOS-CQSZACIVSA-N 0 3 335.400 1.802 20 10 EDCDHN COc1ccc(N2CC[C@@H](CNC(=O)C(N)C(F)(F)F)C2)cc1 ZINC000831752805 594699620 /nfs/dbraw/zinc/69/96/20/594699620.db2.gz FBBOAMCPQHDQBY-GXFFZTMASA-N 0 3 331.338 1.527 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)CN2CCc3ccccc32)cc1 ZINC000832274072 594739667 /nfs/dbraw/zinc/73/96/67/594739667.db2.gz RPVSUCJHPGFXNY-SFHVURJKSA-N 0 3 338.455 1.931 20 10 EDCDHN CC(C)[C@@H](C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1)N1CCCC1=O ZINC000832279624 594739897 /nfs/dbraw/zinc/73/98/97/594739897.db2.gz KYOTZQKCOOHKGO-AEFFLSMTSA-N 0 3 346.475 1.516 20 10 EDCDHN Cc1nn(C)c(C(=O)NC[C@H](N)c2ccc(N(C)C)cc2)c1[N+](=O)[O-] ZINC000832281608 594740084 /nfs/dbraw/zinc/74/00/84/594740084.db2.gz VAJCAAKTCLOOCW-ZDUSSCGKSA-N 0 3 346.391 1.133 20 10 EDCDHN CC(C)CN1C[C@H](C(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)CC1=O ZINC000832299508 594741194 /nfs/dbraw/zinc/74/11/94/594741194.db2.gz BUFYRCRKYJPSNX-NVXWUHKLSA-N 0 3 346.475 1.373 20 10 EDCDHN Cc1ccc([C@@H](N)C(=O)NC[C@H](N)c2ccc(N(C)C)cc2)cc1 ZINC000841845804 594963786 /nfs/dbraw/zinc/96/37/86/594963786.db2.gz FBLZSSNRIMNRBN-ZWKOTPCHSA-N 0 3 326.444 1.877 20 10 EDCDHN Cc1ccccc1[C@H](N)C(=O)NC[C@H](N)c1ccc(N(C)C)cc1 ZINC000841845933 594964025 /nfs/dbraw/zinc/96/40/25/594964025.db2.gz ICJWHTOZJLBCSM-ROUUACIJSA-N 0 3 326.444 1.877 20 10 EDCDHN C[C@H](NC(=O)C(=O)N1CCC[C@@H](C)[C@@H]1CN)c1ccc(N(C)C)cc1 ZINC000842202168 595036632 /nfs/dbraw/zinc/03/66/32/595036632.db2.gz DVJKFDDNINMLJM-KEYYUXOJSA-N 0 3 346.475 1.516 20 10 EDCDHN CCCC[C@H](CN)NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000842268098 595061046 /nfs/dbraw/zinc/06/10/46/595061046.db2.gz LRDPUDYBVVNHTL-OAHLLOKOSA-N 0 3 334.464 1.345 20 10 EDCDHN Cc1cc(C)c(C(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)c(=O)[nH]1 ZINC000843297826 595065977 /nfs/dbraw/zinc/06/59/77/595065977.db2.gz KORXQXDEPNRWSG-OAHLLOKOSA-N 0 3 328.416 1.900 20 10 EDCDHN CNC(=O)[C@]1(C(F)(F)F)CCN(Cc2cc(OC)ccc2O)C1 ZINC000843433213 595110257 /nfs/dbraw/zinc/11/02/57/595110257.db2.gz XIKJYPUGZJLCMX-AWEZNQCLSA-N 0 3 332.322 1.901 20 10 EDCDHN COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000843489021 595127112 /nfs/dbraw/zinc/12/71/12/595127112.db2.gz AVQRWAFFIMZDAS-VHSXEESVSA-N 0 3 328.796 1.531 20 10 EDCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@@H]1CCN(CCN3CCOCC3)C1)CC2 ZINC000834590130 595170229 /nfs/dbraw/zinc/17/02/29/595170229.db2.gz RBDWXPVKYHIRRR-SJORKVTESA-N 0 3 331.460 1.376 20 10 EDCDHN CC[C@@H](C)[C@H](N)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000844175347 595292530 /nfs/dbraw/zinc/29/25/30/595292530.db2.gz HEAKMDQJULROBH-KMFMINBZSA-N 0 3 346.475 1.378 20 10 EDCDHN CC[N@H+](C)C[C@H](O)CN(CC(=O)OC)Cc1cc(Cl)ccc1[O-] ZINC000846824785 595322173 /nfs/dbraw/zinc/32/21/73/595322173.db2.gz PAEYZCANJJVYDO-AWEZNQCLSA-N 0 3 344.839 1.333 20 10 EDCDHN CC[N@@H+](C)C[C@H](O)CN(CC(=O)OC)Cc1cc(Cl)ccc1[O-] ZINC000846824785 595322174 /nfs/dbraw/zinc/32/21/74/595322174.db2.gz PAEYZCANJJVYDO-AWEZNQCLSA-N 0 3 344.839 1.333 20 10 EDCDHN CN(C)c1ccc(CNC(=O)CN(C)CCN2CCCCC2)cc1 ZINC000844463467 595347453 /nfs/dbraw/zinc/34/74/53/595347453.db2.gz FUEHNNPVFIKUAK-UHFFFAOYSA-N 0 3 332.492 1.787 20 10 EDCDHN CN(C)C(=O)N(C)[C@H]1CCN(Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000853585217 595814233 /nfs/dbraw/zinc/81/42/33/595814233.db2.gz WNVVNCWWHVKZAP-SWLSCSKDSA-N 0 3 335.404 1.006 20 10 EDCDHN C[C@@H]1[C@H](C)NCCN1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000851682411 595882899 /nfs/dbraw/zinc/88/28/99/595882899.db2.gz WJUJICFRJIFMJW-LSDHHAIUSA-N 0 3 346.475 1.540 20 10 EDCDHN CN(C)C1(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CCC1 ZINC000856212021 595926716 /nfs/dbraw/zinc/92/67/16/595926716.db2.gz GKLZEKKHQXYLKP-UHFFFAOYSA-N 0 3 331.460 1.748 20 10 EDCDHN CCOC(=O)C[C@@H](O)CN[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000859230499 596011737 /nfs/dbraw/zinc/01/17/37/596011737.db2.gz ZRYRISIBGLCUEX-RHSMWYFYSA-N 0 3 336.432 1.488 20 10 EDCDHN COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCCN(C)C3)C2)cc1 ZINC000852186759 596076328 /nfs/dbraw/zinc/07/63/28/596076328.db2.gz HZEYBYGOOIJLJS-CABCVRRESA-N 0 3 332.448 1.667 20 10 EDCDHN NC(=O)c1cc(F)ccc1N1CCN(Cc2ccccc2O)CC1 ZINC000857067352 596151669 /nfs/dbraw/zinc/15/16/69/596151669.db2.gz KIKLBLHPQOVQKX-UHFFFAOYSA-N 0 3 329.375 1.952 20 10 EDCDHN CNS(=O)(=O)C[C@@H]1CCCN(Cc2cc(OC)c(C)cc2O)C1 ZINC000863341889 596557338 /nfs/dbraw/zinc/55/73/38/596557338.db2.gz WHXWCBXXOFUGCC-CYBMUJFWSA-N 0 3 342.461 1.470 20 10 EDCDHN COc1ccc(CNCCN2CCOC[C@H]2C)cc1Cn1cccn1 ZINC000873042126 597168841 /nfs/dbraw/zinc/16/88/41/597168841.db2.gz MLXSAUXBQHLTOQ-MRXNPFEDSA-N 0 3 344.459 1.750 20 10 EDCDHN CCC[C@H](N)c1cn(CC(=O)N(C)Cc2ccc(N(C)C)cc2)nn1 ZINC000881083742 598069669 /nfs/dbraw/zinc/06/96/69/598069669.db2.gz GTRKAIKZRVSFJO-INIZCTEOSA-N 0 3 344.463 1.803 20 10 EDCDHN NC(=O)[C@@H]1CCCN(c2ccc(CNCc3ccncc3N)cc2)C1 ZINC000882908869 598100800 /nfs/dbraw/zinc/10/08/00/598100800.db2.gz GXJFUDXGCXTVFW-MRXNPFEDSA-N 0 3 339.443 1.655 20 10 EDCDHN COc1ccc(CNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c(O)c1 ZINC000373399081 250238843 /nfs/dbraw/zinc/23/88/43/250238843.db2.gz JOWUXEIFADMZNG-HIFRSBDPSA-N 0 3 335.404 1.063 20 10 EDCDHN CN(C)c1ccc(CN[C@@H]2CCC(=O)N[C@H]2c2cncn2C)cc1F ZINC000375250909 250280518 /nfs/dbraw/zinc/28/05/18/250280518.db2.gz XTZOULQGKYJVAA-RDTXWAMCSA-N 0 3 345.422 1.735 20 10 EDCDHN CN(C)c1ccc(CN[C@@H]2CCC(=O)N[C@H]2[C@H]2CCCO2)cc1F ZINC000377728241 250292403 /nfs/dbraw/zinc/29/24/03/250292403.db2.gz VZQZIHJBJVAALP-QGPMSJSTSA-N 0 3 335.423 1.808 20 10 EDCDHN CN(C)c1ccc(CNC(=O)CN2CC[C@H]([C@H]3CCOC3)C2)cc1 ZINC000378234247 250298450 /nfs/dbraw/zinc/29/84/50/250298450.db2.gz LYFDCPWTGHCHGT-IRXDYDNUSA-N 0 3 331.460 1.727 20 10 EDCDHN Cc1ccc(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)c(O)c1O ZINC000267601108 292072081 /nfs/dbraw/zinc/07/20/81/292072081.db2.gz PDCBIIJQNPDUTH-CQSZACIVSA-N 0 3 349.431 1.079 20 10 EDCDHN Cc1ccc(O)c(CN2CCN(c3ccc(C(N)=O)cn3)CC2)c1 ZINC000271051769 274754645 /nfs/dbraw/zinc/75/46/45/274754645.db2.gz AMHLMRWVUXJXKH-UHFFFAOYSA-N 0 3 326.400 1.517 20 10 EDCDHN CCC[N@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)N1CCN(C(C)=O)CC1 ZINC000076074454 276002768 /nfs/dbraw/zinc/00/27/68/276002768.db2.gz MXENLDFTLMDJGY-HNNXBMFYSA-N 0 3 347.459 1.683 20 10 EDCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)N1CCN(C(C)=O)CC1 ZINC000076074454 276002769 /nfs/dbraw/zinc/00/27/69/276002769.db2.gz MXENLDFTLMDJGY-HNNXBMFYSA-N 0 3 347.459 1.683 20 10 EDCDHN COc1ccc([O-])c(C[NH2+][C@@H]2CCCN(Cc3noc(C)n3)C2)c1 ZINC000378461061 447431284 /nfs/dbraw/zinc/43/12/84/447431284.db2.gz YAJZEQKBRYUMCH-CQSZACIVSA-N 0 3 332.404 1.846 20 10 EDCDHN CC(C)CN1CCN(CC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000049970959 441367747 /nfs/dbraw/zinc/36/77/47/441367747.db2.gz CZVCNSKENVCBOH-UHFFFAOYSA-N 0 3 332.492 1.642 20 10 EDCDHN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1CCCCN1 ZINC000165484648 442208988 /nfs/dbraw/zinc/20/89/88/442208988.db2.gz HUGDBILGCCZWTJ-SFHVURJKSA-N 0 3 331.460 1.654 20 10 EDCDHN CC[C@@H](C)[C@H](N)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000269679077 443392075 /nfs/dbraw/zinc/39/20/75/443392075.db2.gz RVAWAXVHURKPSE-KDOFPFPSSA-N 0 3 333.476 1.885 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@H]1CCCC[C@@H]1OC)cc2=O ZINC000275201813 443623226 /nfs/dbraw/zinc/62/32/26/443623226.db2.gz IAYJZNJVBMIUCN-KBPBESRZSA-N 0 3 348.403 1.659 20 10 EDCDHN CC[C@@H]([NH2+]C[C@H]1CCn2ncc(C(N)=O)c2C1)c1ccccc1[O-] ZINC000280996615 443792903 /nfs/dbraw/zinc/79/29/03/443792903.db2.gz NIEVIEOLOQUKFW-SWLSCSKDSA-N 0 3 328.416 1.991 20 10 EDCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)cc1C ZINC000289842811 444210256 /nfs/dbraw/zinc/21/02/56/444210256.db2.gz URBQCMQFQSATHH-KBXCAEBGSA-N 0 3 331.416 1.962 20 10 EDCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)cc1C ZINC000289842811 444210258 /nfs/dbraw/zinc/21/02/58/444210258.db2.gz URBQCMQFQSATHH-KBXCAEBGSA-N 0 3 331.416 1.962 20 10 EDCDHN COc1ccc([O-])c(C[NH+]2CCC(C(=O)N3CCN(C)CC3)CC2)c1 ZINC000289678619 444189736 /nfs/dbraw/zinc/18/97/36/444189736.db2.gz DYBCOWOSSBKOFM-UHFFFAOYSA-N 0 3 347.459 1.387 20 10 EDCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCN(CCN3CCOCC3)C2)c1 ZINC000359957145 445504077 /nfs/dbraw/zinc/50/40/77/445504077.db2.gz GNOHXFGAOUHVHW-DLBZAZTESA-N 0 3 333.476 1.758 20 10 EDCDHN CN(C)c1ccc(CN(C)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000363390647 445784869 /nfs/dbraw/zinc/78/48/69/445784869.db2.gz VAGAILUFQXBHNP-QZTJIDSGSA-N 0 3 346.475 1.757 20 10 EDCDHN COc1ccc(CNC(=O)[C@@H]2CCCN2C2CCOCC2)c(O)c1 ZINC000366549190 446257390 /nfs/dbraw/zinc/25/73/90/446257390.db2.gz VNHCTSLSCHUTRN-INIZCTEOSA-N 0 3 334.416 1.660 20 10 EDCDHN CN(C)CCn1ccc(NC(=O)NCc2ccc3c(c2)CCN3C)n1 ZINC000373566120 446264108 /nfs/dbraw/zinc/26/41/08/446264108.db2.gz BBGWJQCOMQEFSB-UHFFFAOYSA-N 0 3 342.447 1.759 20 10 EDCDHN COc1ccc(O)c(CN2CCCN(Cc3nccn3C)CC2)c1 ZINC000367718401 446578812 /nfs/dbraw/zinc/57/88/12/446578812.db2.gz GDNHFDKDRWNTTM-UHFFFAOYSA-N 0 3 330.432 1.842 20 10 EDCDHN Cn1ccnc1[C@@]([O-])(C[NH2+]Cc1ccc2c(c1)CCO2)C(F)(F)F ZINC000299311543 527463456 /nfs/dbraw/zinc/46/34/56/527463456.db2.gz DWECVHMSRVCJDN-HNNXBMFYSA-N 0 3 341.333 1.895 20 10 EDCDHN CN(C)c1ccc(CN(C)C(=O)CN(C)[C@H]2CCN(C3CC3)C2)cc1 ZINC000732413428 578710761 /nfs/dbraw/zinc/71/07/61/578710761.db2.gz UROUBORPBJWXCI-IBGZPJMESA-N 0 3 344.503 1.880 20 10 EDCDHN COc1ccc(N2CCN(CCCNCc3cn[nH]c3)CC2)cc1 ZINC000749917448 579743962 /nfs/dbraw/zinc/74/39/62/579743962.db2.gz ZDLBCLBLKITJSN-UHFFFAOYSA-N 0 3 329.448 1.720 20 10 EDCDHN O=C1CCCCN1C1CC[NH+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000768462476 580213753 /nfs/dbraw/zinc/21/37/53/580213753.db2.gz LUYCXCMAZPVLGP-QGZVFWFLSA-N 0 3 346.427 1.795 20 10 EDCDHN COC(=O)C[C@@]1(NCc2cc(OC)c(OC)cc2O)CCCOC1 ZINC000770678632 580267442 /nfs/dbraw/zinc/26/74/42/580267442.db2.gz NDZBXJROVDBYJP-KRWDZBQOSA-N 0 3 339.388 1.611 20 10 EDCDHN COC(=O)C[C@@]1([NH2+]Cc2cc(OC)c(OC)cc2[O-])CCCOC1 ZINC000770678632 580267443 /nfs/dbraw/zinc/26/74/43/580267443.db2.gz NDZBXJROVDBYJP-KRWDZBQOSA-N 0 3 339.388 1.611 20 10 EDCDHN COc1ccc(O)c([C@@H](C)NCC(=O)NCC(=O)NC(C)(C)C)c1 ZINC000775372666 580389527 /nfs/dbraw/zinc/38/95/27/580389527.db2.gz FYMMHVGTXDQYAH-LLVKDONJSA-N 0 3 337.420 1.082 20 10 EDCDHN Cn1cnnc1[C@H]1CCCN1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775727105 580398695 /nfs/dbraw/zinc/39/86/95/580398695.db2.gz IRXRYCZOGAQURS-GOSISDBHSA-N 0 3 340.475 1.904 20 10 EDCDHN COC(=O)C1CCN(C(=O)CN[C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000775833920 580402234 /nfs/dbraw/zinc/40/22/34/580402234.db2.gz HNSPRCWCILEMFA-AWEZNQCLSA-N 0 3 347.459 1.815 20 10 EDCDHN CCOc1ccc(C[NH2+][C@@H]2CCOC[C@H]2OCCOC)c([O-])c1 ZINC000776812609 580429480 /nfs/dbraw/zinc/42/94/80/580429480.db2.gz LULVMYVJKXHMOL-NVXWUHKLSA-N 0 3 325.405 1.701 20 10 EDCDHN CC(C)C[C@H]1C(=O)NCCN1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000783727686 580604856 /nfs/dbraw/zinc/60/48/56/580604856.db2.gz CFXVBCQXVSBFSB-IBGZPJMESA-N 0 3 344.503 1.785 20 10 EDCDHN COC[C@@H](NCc1ccc(N2CCN(C)CC2)cc1)[C@H]1CCCO1 ZINC000788535110 580723985 /nfs/dbraw/zinc/72/39/85/580723985.db2.gz KAQFPZMQXDUYGM-RTBURBONSA-N 0 3 333.476 1.722 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCCN(C)C2=O)N(C)C)cc1 ZINC000891245769 591015283 /nfs/dbraw/zinc/01/52/83/591015283.db2.gz IXNKVAWAPJMIMH-IRXDYDNUSA-N 0 3 346.475 1.340 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)CCn2ccnn2)N(C)C)cc1 ZINC000891246356 591015384 /nfs/dbraw/zinc/01/53/84/591015384.db2.gz BIXGVRBZWWBAES-MRXNPFEDSA-N 0 3 330.436 1.153 20 10 EDCDHN COc1ccc(CN2CCN(CC(C)(C)O)C[C@H]2C)c(O)c1OC ZINC000893859466 591118966 /nfs/dbraw/zinc/11/89/66/591118966.db2.gz NVBCZJGSAALHRG-CYBMUJFWSA-N 0 3 338.448 1.686 20 10 EDCDHN CCCNC(=O)CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891592869 591140055 /nfs/dbraw/zinc/14/00/55/591140055.db2.gz OHLNJTOBJPZJLD-MRXNPFEDSA-N 0 3 349.479 1.181 20 10 EDCDHN COc1ccc(N2CC[C@H](NC(=O)NCCN3CC[C@@H](C)C3)C2)cc1 ZINC000895651088 591237852 /nfs/dbraw/zinc/23/78/52/591237852.db2.gz SXXPYSMLBJMQJS-CVEARBPZSA-N 0 3 346.475 1.915 20 10 EDCDHN c1cc(N2CCOCC2)ccc1CN1CCC2(CC1)COCCO2 ZINC000895694351 591251329 /nfs/dbraw/zinc/25/13/29/591251329.db2.gz FODUUCHIKLTDMW-UHFFFAOYSA-N 0 3 332.444 1.905 20 10 EDCDHN COC[C@@H]([NH2+]Cc1cc(OC)c(OC)cc1[O-])[C@@H]1CCCOC1 ZINC000895854953 591288042 /nfs/dbraw/zinc/28/80/42/591288042.db2.gz OGIWWSYJWKDWIY-TZMCWYRMSA-N 0 3 325.405 1.941 20 10 EDCDHN COc1ccc(C[NH2+]CC[C@H]2CCCS2(=O)=O)c([O-])c1OC ZINC000896008684 591322177 /nfs/dbraw/zinc/32/21/77/591322177.db2.gz MGQXNXBLYYQGDO-GFCCVEGCSA-N 0 3 329.418 1.466 20 10 EDCDHN COC(=O)c1c(CNCC[C@H]2CNC(=O)C2)c2cc(F)ccc2n1C ZINC000896896913 591661445 /nfs/dbraw/zinc/66/14/45/591661445.db2.gz PBJJVQCQSAWFSF-LLVKDONJSA-N 0 3 347.390 1.720 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)N2C[C@@H]3C[C@]3(O)C2)N(C)C)cc1 ZINC000899097906 591676179 /nfs/dbraw/zinc/67/61/79/591676179.db2.gz IRLXNSBSWDMUJT-ZVZYQTTQSA-N 0 3 332.448 1.132 20 10 EDCDHN C[C@H](O)[C@@H]1CCN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000899102142 591682641 /nfs/dbraw/zinc/68/26/41/591682641.db2.gz KHJGUXRAMJUWTI-YXJHDRRASA-N 0 3 348.491 1.768 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)NCC2(CO)CCC2)N(C)C)cc1 ZINC000899105525 591684968 /nfs/dbraw/zinc/68/49/68/591684968.db2.gz XTZOYEWDWTYTIH-QGZVFWFLSA-N 0 3 348.491 1.817 20 10 EDCDHN COc1cc(O)c(CN2CCN(Cc3n[nH]c(C)n3)CC2)cc1OC ZINC000895266003 591692486 /nfs/dbraw/zinc/69/24/86/591692486.db2.gz YKKQEAJXLRUYOH-UHFFFAOYSA-N 0 3 347.419 1.154 20 10 EDCDHN COC(=O)c1c(CNCCN2CC[C@@H](O)C2)c2cc(F)ccc2n1C ZINC000895404944 591745806 /nfs/dbraw/zinc/74/58/06/591745806.db2.gz IBFYPNRKVXMXSB-CYBMUJFWSA-N 0 3 349.406 1.260 20 10 EDCDHN Cc1noc(C[C@@H]2CCC[N@H+](Cc3cc4c(cc3[O-])OC[C@H]4O)C2)n1 ZINC000902583352 592019663 /nfs/dbraw/zinc/01/96/63/592019663.db2.gz CEPJPNJYOIIXES-BLLLJJGKSA-N 0 3 345.399 1.964 20 10 EDCDHN Cc1noc(C[C@@H]2CCC[N@@H+](Cc3cc4c(cc3[O-])OC[C@H]4O)C2)n1 ZINC000902583352 592019665 /nfs/dbraw/zinc/01/96/65/592019665.db2.gz CEPJPNJYOIIXES-BLLLJJGKSA-N 0 3 345.399 1.964 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)[C@@]2(C)CCNC(=O)C2)N(C)C)cc1 ZINC000900863642 592150482 /nfs/dbraw/zinc/15/04/82/592150482.db2.gz PQBVMVXPPMLBEL-LPHOPBHVSA-N 0 3 346.475 1.388 20 10 EDCDHN O[C@@H](CNCc1ccc(N2CCC(O)CC2)c(F)c1)C1(O)CCC1 ZINC000905143576 592435640 /nfs/dbraw/zinc/43/56/40/592435640.db2.gz CAGWZUSPIWGZDA-KRWDZBQOSA-N 0 3 338.423 1.152 20 10 EDCDHN C[C@H](CNC[C@H](c1ccc(N(C)C)cc1)N(C)C)S(C)(=O)=O ZINC000905704732 592616951 /nfs/dbraw/zinc/61/69/51/592616951.db2.gz OMPZHXIBXWKBBI-CZUORRHYSA-N 0 3 327.494 1.378 20 10 EDCDHN O=C(NCc1ccc(N2CCOCC2)cc1)N[C@@H]1CCN(C2CC2)C1 ZINC000734270282 592959628 /nfs/dbraw/zinc/95/96/28/592959628.db2.gz UANBYXNQQBXWGR-MRXNPFEDSA-N 0 3 344.459 1.559 20 10 EDCDHN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H]1CCCCN1CCO ZINC000838477247 593177157 /nfs/dbraw/zinc/17/71/57/593177157.db2.gz FPKYWRDYKGGMTD-SFHVURJKSA-N 0 3 348.491 1.707 20 10 EDCDHN CC(=O)NCC[C@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000808216592 593241208 /nfs/dbraw/zinc/24/12/08/593241208.db2.gz BTRCEBOWFZAYGA-DYVFJYSZSA-N 0 3 334.416 1.556 20 10 EDCDHN CC(=O)NCC[C@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000808216592 593241210 /nfs/dbraw/zinc/24/12/10/593241210.db2.gz BTRCEBOWFZAYGA-DYVFJYSZSA-N 0 3 334.416 1.556 20 10 EDCDHN CSCC[C@H](NCc1cc2c(cc1O)OCO2)C(=O)N(C)C ZINC000808438819 593258735 /nfs/dbraw/zinc/25/87/35/593258735.db2.gz OMAGTQJFKYSUGV-NSHDSACASA-N 0 3 326.418 1.420 20 10 EDCDHN COc1ccc(N2CC[C@H](CNC(=O)N3CCN[C@H](C)[C@H]3C)C2)cc1 ZINC000818655456 593710608 /nfs/dbraw/zinc/71/06/08/593710608.db2.gz LXYQPCSAMBRALJ-BZUAXINKSA-N 0 3 346.475 1.913 20 10 EDCDHN COC(=O)NC1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000827935001 594306244 /nfs/dbraw/zinc/30/62/44/594306244.db2.gz ROYGGHCPNHJVMD-UHFFFAOYSA-N 0 3 333.432 1.844 20 10 EDCDHN Cc1c(Cl)c(C(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)nn1C ZINC000832266077 594739120 /nfs/dbraw/zinc/73/91/20/594739120.db2.gz CROVFCHDFSZWNP-CYBMUJFWSA-N 0 3 335.839 1.878 20 10 EDCDHN Cc1nn(C)c(C(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)c1[N+](=O)[O-] ZINC000832281606 594740126 /nfs/dbraw/zinc/74/01/26/594740126.db2.gz VAJCAAKTCLOOCW-CYBMUJFWSA-N 0 3 346.391 1.133 20 10 EDCDHN COC(=O)[C@H]1CC[C@H](C(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)CC1 ZINC000832286318 594740397 /nfs/dbraw/zinc/74/03/97/594740397.db2.gz XZTONOCTXVKOIB-BFYDXBDKSA-N 0 3 347.459 1.848 20 10 EDCDHN CN(CCCNC(=O)C(=O)Nc1ccc(N)cc1)Cc1ccccc1 ZINC000841002914 594837583 /nfs/dbraw/zinc/83/75/83/594837583.db2.gz IHLVHMUXJWYWFG-UHFFFAOYSA-N 0 3 340.427 1.846 20 10 EDCDHN CN(C)c1ccc(CNC(=O)C(=O)NC[C@H](N)c2ccccc2)cc1 ZINC000842035414 595006256 /nfs/dbraw/zinc/00/62/56/595006256.db2.gz GSDYAUGJGWXOKR-KRWDZBQOSA-N 0 3 340.427 1.185 20 10 EDCDHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)NCCc1ccc(N)cc1 ZINC000842094891 595016373 /nfs/dbraw/zinc/01/63/73/595016373.db2.gz XBZNNVHHEUFJBU-QGZVFWFLSA-N 0 3 346.475 1.308 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN(C)CCCCOC)cc2=O ZINC000842171979 595028243 /nfs/dbraw/zinc/02/82/43/595028243.db2.gz QZQPBXHUDZJQOC-UHFFFAOYSA-N 0 3 336.392 1.470 20 10 EDCDHN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CNC1CC1 ZINC000843490457 595128583 /nfs/dbraw/zinc/12/85/83/595128583.db2.gz ZEZHFJHMMUHQSF-UHFFFAOYSA-N 0 3 326.780 1.299 20 10 EDCDHN CN(C)S(=O)(=O)N1CCC[C@@H]([NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000834803452 595217031 /nfs/dbraw/zinc/21/70/31/595217031.db2.gz UBKXZLNCSPBUAQ-KGLIPLIRSA-N 0 3 339.461 1.240 20 10 EDCDHN CN(C)Cc1ccc(S(=O)(=O)NCc2ccc(O)cc2O)cc1 ZINC000867417028 595221589 /nfs/dbraw/zinc/22/15/89/595221589.db2.gz LHIFHHAMSDYTJL-UHFFFAOYSA-N 0 3 336.413 1.638 20 10 EDCDHN COc1ccc(N2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)cc1F ZINC000847557633 595446824 /nfs/dbraw/zinc/44/68/24/595446824.db2.gz UJESHIFFMUAAET-CQSZACIVSA-N 0 3 335.423 1.825 20 10 EDCDHN Cn1cc([C@@H]2CN(C)CC[C@H]2C(=O)NCc2ccccc2O)cn1 ZINC000849565294 595571145 /nfs/dbraw/zinc/57/11/45/595571145.db2.gz SRUFBSLJEAETOD-CVEARBPZSA-N 0 3 328.416 1.477 20 10 EDCDHN COc1cccc(C[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)c1[O-] ZINC000858252288 595743509 /nfs/dbraw/zinc/74/35/09/595743509.db2.gz AWICVTZRYBIJTN-CHWSQXEVSA-N 0 3 328.434 1.351 20 10 EDCDHN COc1ccc(N2CCC(N[C@H](CO)c3ccnn3C)CC2)cc1 ZINC000858434444 595794249 /nfs/dbraw/zinc/79/42/49/595794249.db2.gz HAMAKDVGRGZFQR-QGZVFWFLSA-N 0 3 330.432 1.721 20 10 EDCDHN C[C@@H]1CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@H]1CO ZINC000856790702 596083036 /nfs/dbraw/zinc/08/30/36/596083036.db2.gz JXQVDENYAJWJBB-WBVHZDCISA-N 0 3 333.476 1.661 20 10 EDCDHN CCc1cccc(C[NH2+][C@@H]2CCN(c3ccc4nncn4n3)C2)c1[O-] ZINC000862481279 596334770 /nfs/dbraw/zinc/33/47/70/596334770.db2.gz FCWHUTYRZQRKCV-OAHLLOKOSA-N 0 3 338.415 1.761 20 10 EDCDHN COC(=O)C1=NO[C@@]2(CCN(Cc3cc(C)cc(OC)c3O)C2)C1 ZINC000872709482 597040586 /nfs/dbraw/zinc/04/05/86/597040586.db2.gz OUNLFCHIBKYYNP-KRWDZBQOSA-N 0 3 334.372 1.603 20 10 EDCDHN Cc1cc(C2(C(=O)NC[C@@H](N)c3ccc(N(C)C)cc3)CC2)on1 ZINC000876507142 597224459 /nfs/dbraw/zinc/22/44/59/597224459.db2.gz WMSWAWSRRWGUHD-OAHLLOKOSA-N 0 3 328.416 1.897 20 10 EDCDHN O=C(CNCc1ccc(N2CCC(O)CC2)cc1)NCC(F)(F)F ZINC000876992717 597406534 /nfs/dbraw/zinc/40/65/34/597406534.db2.gz IKTMLXUFKZDMDE-UHFFFAOYSA-N 0 3 345.365 1.416 20 10 EDCDHN COC[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)[C@H]1CCCO1 ZINC000877489348 597524282 /nfs/dbraw/zinc/52/42/82/597524282.db2.gz MXTOIIDLRUKPOE-RTBURBONSA-N 0 3 334.460 1.931 20 10 EDCDHN NC(=O)[C@H]1CCCN(CCC[NH2+]Cc2cc(F)cc(F)c2[O-])C1 ZINC000882985062 597607045 /nfs/dbraw/zinc/60/70/45/597607045.db2.gz FMCJZXXZDXKFIG-NSHDSACASA-N 0 3 327.375 1.347 20 10 EDCDHN CC(C)[C@H]1CN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CCN1C ZINC000879600087 597652653 /nfs/dbraw/zinc/65/26/53/597652653.db2.gz REYHZNAMMJOKSC-LJQANCHMSA-N 0 3 346.519 1.983 20 10 EDCDHN COc1ccc(N2CCN(C[C@@H]3CCNC(=O)CC3)CC2)c(OC)c1 ZINC000879462238 597923748 /nfs/dbraw/zinc/92/37/48/597923748.db2.gz LQOBTCDTDWLPDT-HNNXBMFYSA-N 0 3 347.459 1.742 20 10 EDCDHN COc1cc(CNC[C@@H](O)CS(C)(=O)=O)c(O)c(C(C)(C)C)c1 ZINC000922826232 704389628 /nfs/dbraw/zinc/38/96/28/704389628.db2.gz WSZOCVQZXWNGSO-GFCCVEGCSA-N 0 3 345.461 1.193 20 10 EDCDHN CN(C)c1ccc(CN(C)C[C@@H](O)CN2CCOCC2)cc1F ZINC000129310574 529780043 /nfs/dbraw/zinc/78/00/43/529780043.db2.gz FIASXBJCXDMROT-OAHLLOKOSA-N 0 3 325.428 1.017 20 10 EDCDHN CN1CCC[C@@H]1C(=O)N1CCN(Cc2cc(Cl)ccc2O)CC1 ZINC000093821112 530055995 /nfs/dbraw/zinc/05/59/95/530055995.db2.gz SELWGAYYRVPPFA-OAHLLOKOSA-N 0 3 337.851 1.784 20 10 EDCDHN Cn1ccc(N2CCC[C@@H]([NH2+][C@H]3CCc4cccc([O-])c43)C2=O)n1 ZINC000296703764 282713006 /nfs/dbraw/zinc/71/30/06/282713006.db2.gz HUKRJJVEYRKCPG-UONOGXRCSA-N 0 3 326.400 1.898 20 10 EDCDHN CCn1ccnc(N2CCC([NH2+]Cc3cc(F)ccc3[O-])CC2)c1=O ZINC000375280209 250280698 /nfs/dbraw/zinc/28/06/98/250280698.db2.gz SFDMFHZWAUWRPY-UHFFFAOYSA-N 0 3 346.406 1.867 20 10 EDCDHN CN(C)c1ccc(CN(C)C(=O)CN2CCCC[C@H]2CCO)cc1 ZINC000070953034 441129112 /nfs/dbraw/zinc/12/91/12/441129112.db2.gz BTZAOQYXKCJQII-SFHVURJKSA-N 0 3 333.476 1.948 20 10 EDCDHN CC[C@H](C(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1)N(C)C ZINC000190235287 443074683 /nfs/dbraw/zinc/07/46/83/443074683.db2.gz UJXFNRRGNCGSMP-GOSISDBHSA-N 0 3 346.475 1.312 20 10 EDCDHN CC[C@H](C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1)N(C)C ZINC000268887358 443137132 /nfs/dbraw/zinc/13/71/32/443137132.db2.gz ZEOXDTYZGWVDTO-GOSISDBHSA-N 0 3 348.491 1.274 20 10 EDCDHN C[C@H](CCN1CCN(C)CC1)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000186038369 443301726 /nfs/dbraw/zinc/30/17/26/443301726.db2.gz MEXLSWPUHSKLNW-MRXNPFEDSA-N 0 3 347.507 1.578 20 10 EDCDHN CCOc1cccc(C[NH+]2CCC(C(=O)NCCCO)CC2)c1[O-] ZINC000271053483 443488152 /nfs/dbraw/zinc/48/81/52/443488152.db2.gz RGCMZLWHCIWUGK-UHFFFAOYSA-N 0 3 336.432 1.502 20 10 EDCDHN CCOc1ccc(O)c(CN2C[C@H](CO)C[C@@H](OCCOC)C2)c1 ZINC000278806248 443447159 /nfs/dbraw/zinc/44/71/59/443447159.db2.gz YFFKURFEBKGYKD-RHSMWYFYSA-N 0 3 339.432 1.637 20 10 EDCDHN CCN1CCN(CCC[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000273361308 443568080 /nfs/dbraw/zinc/56/80/80/443568080.db2.gz DAZBTBVZLHMOMP-AWEZNQCLSA-N 0 3 336.436 1.979 20 10 EDCDHN CCOC(=O)[C@](C)(O)C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000274668650 443609712 /nfs/dbraw/zinc/60/97/12/443609712.db2.gz RTPLPLXZQNXLCP-MAUKXSAKSA-N 0 3 337.416 1.687 20 10 EDCDHN CCOC(=O)[C@](C)(O)C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000274668650 443609715 /nfs/dbraw/zinc/60/97/15/443609715.db2.gz RTPLPLXZQNXLCP-MAUKXSAKSA-N 0 3 337.416 1.687 20 10 EDCDHN COc1cc(N2CCN(C[C@H](O)C(C)C)CC2)cc(OC)c1OC ZINC000293036855 443909235 /nfs/dbraw/zinc/90/92/35/443909235.db2.gz WUUWSPMQONDUKI-HNNXBMFYSA-N 0 3 338.448 1.851 20 10 EDCDHN COc1cccc(CNC[C@@H](N2CCOCC2)C(F)(F)F)c1O ZINC000285643687 444058844 /nfs/dbraw/zinc/05/88/44/444058844.db2.gz ZLQQPRGPFCRDGS-CYBMUJFWSA-N 0 3 334.338 1.754 20 10 EDCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)cc1C ZINC000289842818 444210229 /nfs/dbraw/zinc/21/02/29/444210229.db2.gz URBQCMQFQSATHH-KDOFPFPSSA-N 0 3 331.416 1.962 20 10 EDCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)cc1C ZINC000289842818 444210231 /nfs/dbraw/zinc/21/02/31/444210231.db2.gz URBQCMQFQSATHH-KDOFPFPSSA-N 0 3 331.416 1.962 20 10 EDCDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(CCN3CCOCC3)C2)c([O-])c1 ZINC000359955045 445502940 /nfs/dbraw/zinc/50/29/40/445502940.db2.gz AQALRGFXVWHXPA-SJORKVTESA-N 0 3 333.476 1.758 20 10 EDCDHN CN1C(=O)[C@@H]2C[N@H+](Cc3c([O-])ccc4ccccc43)CCN2C1=O ZINC000369419199 446119832 /nfs/dbraw/zinc/11/98/32/446119832.db2.gz QLLUDKFFYODZBP-HNNXBMFYSA-N 0 3 325.368 1.624 20 10 EDCDHN CN1C(=O)[C@@H]2C[N@@H+](Cc3c([O-])ccc4ccccc43)CCN2C1=O ZINC000369419199 446119837 /nfs/dbraw/zinc/11/98/37/446119837.db2.gz QLLUDKFFYODZBP-HNNXBMFYSA-N 0 3 325.368 1.624 20 10 EDCDHN COc1cc(O)c(CN2CCN([C@H]3CCC[C@H]3O)CC2)cc1OC ZINC000362044405 446176009 /nfs/dbraw/zinc/17/60/09/446176009.db2.gz ISPUEWAEGPRJAJ-LSDHHAIUSA-N 0 3 336.432 1.440 20 10 EDCDHN O=S1(=O)CCCN1C1CCC([NH2+]Cc2cc(F)ccc2[O-])CC1 ZINC000369839656 446158263 /nfs/dbraw/zinc/15/82/63/446158263.db2.gz GSUQGKDZFFDJIQ-UHFFFAOYSA-N 0 3 342.436 1.968 20 10 EDCDHN Cc1cc(N(C)C)ccc1CNC(=O)NCC1(O)CCN(C)CC1 ZINC000741088758 579397140 /nfs/dbraw/zinc/39/71/40/579397140.db2.gz BQFQTZLZWSELHU-UHFFFAOYSA-N 0 3 334.464 1.317 20 10 EDCDHN CN(C)c1ccc(CNC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000727471879 578529462 /nfs/dbraw/zinc/52/94/62/578529462.db2.gz POYUZLVDWNJGIW-IAGOWNOFSA-N 0 3 332.448 1.415 20 10 EDCDHN CN(C)C[C@H]1CN(C(=O)/C=C\c2cnn(C)c2)c2ccccc2O1 ZINC000760818705 580038852 /nfs/dbraw/zinc/03/88/52/580038852.db2.gz QLCICAOGAAQUTL-CDNLZTBQSA-N 0 3 326.400 1.789 20 10 EDCDHN COc1cc(Br)cc(CN2C[C@@H]3C[NH2+]C[C@H]3C2)c1[O-] ZINC000770394435 580259388 /nfs/dbraw/zinc/25/93/88/580259388.db2.gz IMCVXCYITAJBOV-QWRGUYRKSA-N 0 3 327.222 1.815 20 10 EDCDHN COCCCS(=O)(=O)NCCN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775837929 580402285 /nfs/dbraw/zinc/40/22/85/580402285.db2.gz VMYCXAKATMWAGG-AWEZNQCLSA-N 0 3 343.493 1.359 20 10 EDCDHN C[C@@H]1CCN(Cc2ccc(N3CCN(C)CC3)cc2)[C@H](C(N)=O)C1 ZINC000779200523 580480924 /nfs/dbraw/zinc/48/09/24/580480924.db2.gz IDXPSZVPJVGZAK-QAPCUYQASA-N 0 3 330.476 1.524 20 10 EDCDHN Cc1cnn(C)c1CNCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000796274799 580949752 /nfs/dbraw/zinc/94/97/52/580949752.db2.gz AUGXJNWXVQPYKE-INIZCTEOSA-N 0 3 341.459 1.720 20 10 EDCDHN COC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891241657 591012901 /nfs/dbraw/zinc/01/29/01/591012901.db2.gz BZSPHRPEQMLBOC-XHSDSOJGSA-N 0 3 333.432 1.281 20 10 EDCDHN CCn1cc(CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)nn1 ZINC000891244312 591014315 /nfs/dbraw/zinc/01/43/15/591014315.db2.gz ZMEGXGOYGHKIEI-KRWDZBQOSA-N 0 3 344.463 1.326 20 10 EDCDHN CCn1cc(CC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)nn1 ZINC000891244314 591014430 /nfs/dbraw/zinc/01/44/30/591014430.db2.gz ZMEGXGOYGHKIEI-QGZVFWFLSA-N 0 3 344.463 1.326 20 10 EDCDHN CC(=O)N[C@@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C(C)C ZINC000891246176 591015675 /nfs/dbraw/zinc/01/56/75/591015675.db2.gz MXBWKYKLXMWIRL-ZWKOTPCHSA-N 0 3 348.491 1.632 20 10 EDCDHN Cc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)nn1 ZINC000891246208 591015779 /nfs/dbraw/zinc/01/57/79/591015779.db2.gz AEFXXQNNJFSFRI-QGZVFWFLSA-N 0 3 327.432 1.884 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@H](O)c2cccnc2)N(C)C)cc1 ZINC000891247853 591017092 /nfs/dbraw/zinc/01/70/92/591017092.db2.gz KWGDLNBSEUHGTI-QZTJIDSGSA-N 0 3 342.443 1.600 20 10 EDCDHN Cc1nnc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)s1 ZINC000891247816 591017231 /nfs/dbraw/zinc/01/72/31/591017231.db2.gz KPIDNKVNLYTFBE-AWEZNQCLSA-N 0 3 333.461 1.945 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)NCc2cncn2C)N(C)C)cc1 ZINC000894912512 591471664 /nfs/dbraw/zinc/47/16/64/591471664.db2.gz DWEYHEDYHKRVRT-KRWDZBQOSA-N 0 3 344.463 1.588 20 10 EDCDHN COc1cc(C)cc(CNC[C@@]2(OC)CCS(=O)(=O)C2)c1O ZINC000896684556 591574451 /nfs/dbraw/zinc/57/44/51/591574451.db2.gz VUZFJUACSVUDOK-HNNXBMFYSA-N 0 3 329.418 1.003 20 10 EDCDHN CNC(=O)C[C@@H](C)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000895224133 591664778 /nfs/dbraw/zinc/66/47/78/591664778.db2.gz DIIVDUUETRXUHB-CJNGLKHVSA-N 0 3 349.479 1.179 20 10 EDCDHN CC[C@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C(=O)NC ZINC000899097488 591678073 /nfs/dbraw/zinc/67/80/73/591678073.db2.gz BGYVIOPOSGBIFB-JKSUJKDBSA-N 0 3 349.479 1.179 20 10 EDCDHN C[C@@H]1C[C@H](O)CN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000899099313 591688967 /nfs/dbraw/zinc/68/89/67/591688967.db2.gz YUOSPTYSVNJDNL-FHLIZLRMSA-N 0 3 348.491 1.768 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)NC[C@@H](O)C2CCC2)N(C)C)cc1 ZINC000899099258 591689453 /nfs/dbraw/zinc/68/94/53/591689453.db2.gz XQZPMXHYKLNOFP-QZTJIDSGSA-N 0 3 348.491 1.816 20 10 EDCDHN Cn1cncc1CNCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000727466916 591723985 /nfs/dbraw/zinc/72/39/85/591723985.db2.gz LAXMFPZYRCKXTP-HNNXBMFYSA-N 0 3 327.432 1.412 20 10 EDCDHN CCOC(=O)N1C[C@H](NCc2ccc(N(C)C)cc2C)[C@@H](CO)C1 ZINC000898350916 591884108 /nfs/dbraw/zinc/88/41/08/591884108.db2.gz NCYHBYOOGRQCKY-WBVHZDCISA-N 0 3 335.448 1.600 20 10 EDCDHN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](CS(N)(=O)=O)C2)cc1C(C)C ZINC000902525112 592010991 /nfs/dbraw/zinc/01/09/91/592010991.db2.gz WBUUDLNIKOIXSR-CYBMUJFWSA-N 0 3 326.462 1.934 20 10 EDCDHN Cc1cc([O-])c(C[N@H+]2CC[C@@H](CS(N)(=O)=O)C2)cc1C(C)C ZINC000902525112 592010993 /nfs/dbraw/zinc/01/09/93/592010993.db2.gz WBUUDLNIKOIXSR-CYBMUJFWSA-N 0 3 326.462 1.934 20 10 EDCDHN C[C@@]1(C2CCN(Cc3cc4c(cc3O)OCO4)CC2)COC(=O)N1 ZINC000905705065 592617509 /nfs/dbraw/zinc/61/75/09/592617509.db2.gz LQRKLOXXYHPTLB-KRWDZBQOSA-N 0 3 334.372 1.831 20 10 EDCDHN C[C@@]1(C2CC[NH+](Cc3cc4c(cc3[O-])OCO4)CC2)COC(=O)N1 ZINC000905705065 592617511 /nfs/dbraw/zinc/61/75/11/592617511.db2.gz LQRKLOXXYHPTLB-KRWDZBQOSA-N 0 3 334.372 1.831 20 10 EDCDHN Cn1ccnc1[C@@H]1OCCC[C@H]1[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000906519325 592839230 /nfs/dbraw/zinc/83/92/30/592839230.db2.gz YLIRGKKAOKZUPM-MLGOLLRUSA-N 0 3 331.372 1.864 20 10 EDCDHN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000838478858 593177545 /nfs/dbraw/zinc/17/75/45/593177545.db2.gz MVMKXTHUSLMDSY-KRWDZBQOSA-N 0 3 348.491 1.707 20 10 EDCDHN CC(=O)NCC[C@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000808216591 593241323 /nfs/dbraw/zinc/24/13/23/593241323.db2.gz BTRCEBOWFZAYGA-CXAGYDPISA-N 0 3 334.416 1.556 20 10 EDCDHN CC(=O)NCC[C@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000808216591 593241326 /nfs/dbraw/zinc/24/13/26/593241326.db2.gz BTRCEBOWFZAYGA-CXAGYDPISA-N 0 3 334.416 1.556 20 10 EDCDHN COC(=O)[C@H]1CSCCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000840185501 593361119 /nfs/dbraw/zinc/36/11/19/593361119.db2.gz FWEOIFODHDNRJC-LLVKDONJSA-N 0 3 325.386 1.459 20 10 EDCDHN CCOC(=O)[C@@H]1NCC[C@@H]1N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000817892091 593646158 /nfs/dbraw/zinc/64/61/58/593646158.db2.gz QNDZIKVTGYHPOB-FHLIZLRMSA-N 0 3 347.459 1.467 20 10 EDCDHN COc1ccc(N2CC[C@@H](CNC(=O)CNC[C@H]3CCCO3)C2)cc1 ZINC000818613610 593708054 /nfs/dbraw/zinc/70/80/54/593708054.db2.gz VKYTYUCUZYMIDS-MAUKXSAKSA-N 0 3 347.459 1.406 20 10 EDCDHN CN1CCN(c2ccc(CN3CC[C@@](O)(C(F)F)C3)cc2)CC1 ZINC000824726379 594062516 /nfs/dbraw/zinc/06/25/16/594062516.db2.gz KTSAETXJWWZBRP-KRWDZBQOSA-N 0 3 325.403 1.640 20 10 EDCDHN O=C1OCCN1[C@@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000826995713 594619705 /nfs/dbraw/zinc/61/97/05/594619705.db2.gz ZOLBHHIUAJCQBA-QGZVFWFLSA-N 0 3 331.416 1.550 20 10 EDCDHN CN1CCN(c2ccc(CN3CC[C@H](N4CCOC4=O)C3)cc2)CC1 ZINC000826999719 594620268 /nfs/dbraw/zinc/62/02/68/594620268.db2.gz ACTGIOZMUBQNPD-SFHVURJKSA-N 0 3 344.459 1.465 20 10 EDCDHN Cc1cc(C)n(CCC(=O)NC[C@H](N)c2ccc(N(C)C)cc2)n1 ZINC000832293363 594740741 /nfs/dbraw/zinc/74/07/41/594740741.db2.gz VNDHMMJPCQYOBW-KRWDZBQOSA-N 0 3 329.448 1.772 20 10 EDCDHN C[C@H]1C[C@H]([NH2+]CCCCn2cc(C(N)=O)nn2)c2c1c(F)ccc2[O-] ZINC000840896450 594824479 /nfs/dbraw/zinc/82/44/79/594824479.db2.gz JFJSODLLAYSVHP-JQWIXIFHSA-N 0 3 347.394 1.840 20 10 EDCDHN Cc1cc(N(C)C)ccc1CN1CCC[C@H](n2cc(CO)nn2)C1 ZINC000840948577 594831114 /nfs/dbraw/zinc/83/11/14/594831114.db2.gz FJMYFLJCLIBOLO-SFHVURJKSA-N 0 3 329.448 1.982 20 10 EDCDHN CC1(C)C[C@H](NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CO1 ZINC000841862778 594967472 /nfs/dbraw/zinc/96/74/72/594967472.db2.gz FPIQVAXZKSJEQO-HNNXBMFYSA-N 0 3 338.473 1.579 20 10 EDCDHN CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000843446797 595114104 /nfs/dbraw/zinc/11/41/04/595114104.db2.gz RZNGWQLYARTKMU-IMRBUKKESA-N 0 3 339.233 1.969 20 10 EDCDHN COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)CC[C@@H](C)[NH3+] ZINC000843489073 595127539 /nfs/dbraw/zinc/12/75/39/595127539.db2.gz CQSWEOLWJATOEJ-SNVBAGLBSA-N 0 3 328.796 1.675 20 10 EDCDHN C[C@@H](C1CC1)N(C)S(=O)(=O)NC[C@@H](N)c1ccc(N(C)C)cc1 ZINC000842783937 595197719 /nfs/dbraw/zinc/19/77/19/595197719.db2.gz FVPQTTLNKWYESY-BLLLJJGKSA-N 0 3 340.493 1.317 20 10 EDCDHN CCN1C[C@@H](CN(C)Cc2ccc(N3CCOCC3)cc2)OC1=O ZINC000846766987 595313737 /nfs/dbraw/zinc/31/37/37/595313737.db2.gz ZLIRMFIZAZNSHD-QGZVFWFLSA-N 0 3 333.432 1.796 20 10 EDCDHN CN[C@@H](C)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000848415599 595375492 /nfs/dbraw/zinc/37/54/92/595375492.db2.gz VQYYMPIMBVETMX-NWDGAFQWSA-N 0 3 327.375 1.981 20 10 EDCDHN Cn1cnnc1N1CCN(Cc2cc3c(cc2O)CCCC3)CC1 ZINC000848498062 595396505 /nfs/dbraw/zinc/39/65/05/595396505.db2.gz UFSCLBZLSQABSH-UHFFFAOYSA-N 0 3 327.432 1.722 20 10 EDCDHN C[C@@H]1C[C@@H]([NH2+]C[C@@]2(OCCO)CCOC2)c2c1c(F)ccc2[O-] ZINC000850507951 595846835 /nfs/dbraw/zinc/84/68/35/595846835.db2.gz LGJNZZCDPORMJG-NDGTYSDOSA-N 0 3 325.380 1.837 20 10 EDCDHN COc1ccc(N2CC[C@H](NC(=O)N3CCCN(C)CC3)C2)cc1 ZINC000854303564 596028872 /nfs/dbraw/zinc/02/88/72/596028872.db2.gz YAUYHLSIXNVVQN-HNNXBMFYSA-N 0 3 332.448 1.621 20 10 EDCDHN CN1CCN(c2ccc(CN3CC[C@H]4CC[C@@H](C3)[S@@]4=O)cc2)CC1 ZINC000862526410 596340248 /nfs/dbraw/zinc/34/02/48/596340248.db2.gz AUSGYZOCUXAPLO-YDIMBITNSA-N 0 3 347.528 1.924 20 10 EDCDHN COc1cc(O)c(CN[C@@H]2CCO[C@@H]2c2nc(C)no2)cc1OC ZINC000862544116 596343985 /nfs/dbraw/zinc/34/39/85/596343985.db2.gz SRESMQKJZORCQI-ABAIWWIYSA-N 0 3 335.360 1.721 20 10 EDCDHN COc1ccc(N2CCN(C[C@@H](O)CNCC(C)(C)F)CC2)cc1 ZINC000872217119 596839980 /nfs/dbraw/zinc/83/99/80/596839980.db2.gz NQHHBEWBILMSCR-INIZCTEOSA-N 0 3 339.455 1.516 20 10 EDCDHN CN(C)Cc1cccc(NC(=O)C(=O)N2Cc3cccc(O)c3C2)c1 ZINC000874103019 596929654 /nfs/dbraw/zinc/92/96/54/596929654.db2.gz XFHRHPGKEJIODG-UHFFFAOYSA-N 0 3 339.395 1.935 20 10 EDCDHN O=S1(=O)CCC[C@@H](NCc2ccc(N3CCOCC3)cc2)CC1 ZINC000873020130 597162725 /nfs/dbraw/zinc/16/27/25/597162725.db2.gz GLJZKBJEPZKCPX-MRXNPFEDSA-N 0 3 338.473 1.580 20 10 EDCDHN COc1ccc(CNC[C@@H](O)[C@@H]2CCCO2)cc1Cn1cccn1 ZINC000873142051 597209340 /nfs/dbraw/zinc/20/93/40/597209340.db2.gz PGGZGRBQXUBSTP-AEFFLSMTSA-N 0 3 331.416 1.570 20 10 EDCDHN CC(=O)NC[C@H]1CCCN(Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876512342 597225755 /nfs/dbraw/zinc/22/57/55/597225755.db2.gz MDAPLGNIFXJYTN-GOSISDBHSA-N 0 3 345.487 1.996 20 10 EDCDHN OC1CCN(c2ccc(CN3CC[C@@H](n4cncn4)C3)cc2)CC1 ZINC000877424139 597513139 /nfs/dbraw/zinc/51/31/39/597513139.db2.gz GXKGDTSWGHPAAQ-QGZVFWFLSA-N 0 3 327.432 1.686 20 10 EDCDHN COC(=O)C1CCN(C(=O)[C@H](C)[NH2+][C@H](C)c2ccccc2[O-])CC1 ZINC000879648287 597674079 /nfs/dbraw/zinc/67/40/79/597674079.db2.gz IOVRCRKJIZAOAG-OLZOCXBDSA-N 0 3 334.416 1.843 20 10 EDCDHN CCOC(=O)[C@@H]1CCCCN1C(=O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879652717 597674566 /nfs/dbraw/zinc/67/45/66/597674566.db2.gz HENPSZZJICDAIH-ZFWWWQNUSA-N 0 3 334.416 1.987 20 10 EDCDHN C[C@H]([NH2+]CC(=O)NC[C@H]1COc2ccccc2O1)c1ccccc1[O-] ZINC000879652208 597674875 /nfs/dbraw/zinc/67/48/75/597674875.db2.gz BHUNJLJXDDDDFI-KBPBESRZSA-N 0 3 342.395 1.999 20 10 EDCDHN CN1CCN(c2ccc(CNCc3cc4n(n3)CCC4)cc2)CC1 ZINC000883283569 597699901 /nfs/dbraw/zinc/69/99/01/597699901.db2.gz KFZAYBWYXKNWRI-UHFFFAOYSA-N 0 3 325.460 1.871 20 10 EDCDHN CCN(CC)c1ccc(CNC(C)(C)CNS(C)(=O)=O)cc1 ZINC000922638120 704167624 /nfs/dbraw/zinc/16/76/24/704167624.db2.gz RNNSDCNQLCGNCC-UHFFFAOYSA-N 0 3 327.494 1.950 20 10 EDCDHN CCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3(=O)=O)c([O-])c1 ZINC000922850974 704437745 /nfs/dbraw/zinc/43/77/45/704437745.db2.gz GDGPYGARRXXZCM-LQDVMPOASA-N 0 3 325.430 1.989 20 10 EDCDHN CCOc1cccc(C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)c1[O-] ZINC000124460797 237150602 /nfs/dbraw/zinc/15/06/02/237150602.db2.gz ZURVSLRFYBXDFQ-INIZCTEOSA-N 0 3 348.443 1.862 20 10 EDCDHN CCOc1cccc(C[N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)c1[O-] ZINC000124460797 237150610 /nfs/dbraw/zinc/15/06/10/237150610.db2.gz ZURVSLRFYBXDFQ-INIZCTEOSA-N 0 3 348.443 1.862 20 10 EDCDHN COc1cccc(CN2CCN(C[C@H]3CN(C)CCO3)C[C@@H]2C)c1O ZINC000372417992 250218738 /nfs/dbraw/zinc/21/87/38/250218738.db2.gz ZSHDFPLDGXZGKP-DOTOQJQBSA-N 0 3 349.475 1.238 20 10 EDCDHN CN(C)c1ccc(CN(C)C(=O)CN[C@H]2CCO[C@@H]2C2CC2)cc1 ZINC000368905057 250201820 /nfs/dbraw/zinc/20/18/20/250201820.db2.gz MTDHVEQNXFHKSS-PKOBYXMFSA-N 0 3 331.460 1.868 20 10 EDCDHN [O-]c1ccccc1C[NH2+]C[C@H]1CCCN(c2nccn3cnnc23)C1 ZINC000378193874 250297347 /nfs/dbraw/zinc/29/73/47/250297347.db2.gz VMLIBPOSVHWENV-CQSZACIVSA-N 0 3 338.415 1.836 20 10 EDCDHN CN(C)c1ccc(CNC(=O)CN2CC[C@@H]([C@@H]3CCOC3)C2)cc1 ZINC000378234246 250298358 /nfs/dbraw/zinc/29/83/58/250298358.db2.gz LYFDCPWTGHCHGT-IAGOWNOFSA-N 0 3 331.460 1.727 20 10 EDCDHN C[N@H+](Cc1ccccc1[O-])C1CCN(CC(=O)N2CCCC2)CC1 ZINC000378495530 447434665 /nfs/dbraw/zinc/43/46/65/447434665.db2.gz MSTKBYIPLCWHKK-UHFFFAOYSA-N 0 3 331.460 1.911 20 10 EDCDHN C[N@@H+](Cc1ccccc1[O-])C1CCN(CC(=O)N2CCCC2)CC1 ZINC000378495530 447434670 /nfs/dbraw/zinc/43/46/70/447434670.db2.gz MSTKBYIPLCWHKK-UHFFFAOYSA-N 0 3 331.460 1.911 20 10 EDCDHN c1cc(N2CCOCC2)ccc1CN1CC[C@H](N2CCOCC2)C1 ZINC000121005331 442164038 /nfs/dbraw/zinc/16/40/38/442164038.db2.gz VFDTVRIDTIQBHA-IBGZPJMESA-N 0 3 331.460 1.430 20 10 EDCDHN CSCC[C@H](N)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000165410874 442209458 /nfs/dbraw/zinc/20/94/58/442209458.db2.gz DRSLUDFMLSGDMC-AWEZNQCLSA-N 0 3 341.452 1.359 20 10 EDCDHN CCN(C)c1ccc([C@@H](C)NCCC(=O)N2CCN(C)CC2)cc1 ZINC000178668848 442454113 /nfs/dbraw/zinc/45/41/13/442454113.db2.gz PIISNVLSWXDEGV-MRXNPFEDSA-N 0 3 332.492 1.957 20 10 EDCDHN COc1ccc(O)c(CN2CCCC[C@H]2CCNS(C)(=O)=O)c1 ZINC000179719227 442493882 /nfs/dbraw/zinc/49/38/82/442493882.db2.gz VUEPLEIZKONZEW-AWEZNQCLSA-N 0 3 342.461 1.695 20 10 EDCDHN CC(C)[C@H](C[NH2+]Cc1cc2c(cc1[O-])OCO2)N1CCN(C)CC1 ZINC000236688845 443144172 /nfs/dbraw/zinc/14/41/72/443144172.db2.gz NZCCKZRSCAKIOA-HNNXBMFYSA-N 0 3 335.448 1.483 20 10 EDCDHN COCCN(C)S(=O)(=O)[C@H]1CCCN(Cc2ccccc2O)C1 ZINC000190832091 443190635 /nfs/dbraw/zinc/19/06/35/443190635.db2.gz XRVPNAPRBWKAMM-HNNXBMFYSA-N 0 3 342.461 1.265 20 10 EDCDHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCc1ccccc1O ZINC000263646538 443234494 /nfs/dbraw/zinc/23/44/94/443234494.db2.gz BTWIKOBXQFEFIX-OAHLLOKOSA-N 0 3 348.447 1.134 20 10 EDCDHN COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000271763596 443513099 /nfs/dbraw/zinc/51/30/99/443513099.db2.gz ZNOSUWMCJHMCOK-UONOGXRCSA-N 0 3 336.432 1.764 20 10 EDCDHN COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000271763596 443513104 /nfs/dbraw/zinc/51/31/04/443513104.db2.gz ZNOSUWMCJHMCOK-UONOGXRCSA-N 0 3 336.432 1.764 20 10 EDCDHN C[C@H](NC(=O)C(=O)NCc1ccc(N(C)C)cc1)C1=CCN(C)CC1 ZINC000283589439 443668396 /nfs/dbraw/zinc/66/83/96/443668396.db2.gz TXKMLOYJNVYJGT-AWEZNQCLSA-N 0 3 344.459 1.135 20 10 EDCDHN COc1cc(Cl)cc(CN2CCN(C[C@@H](C)O)C[C@@H]2C)c1O ZINC000284260511 443770901 /nfs/dbraw/zinc/77/09/01/443770901.db2.gz GGROUHXKAJXETR-NWDGAFQWSA-N 0 3 328.840 1.941 20 10 EDCDHN COc1ccc(CN[C@@H]2CCC(=O)N[C@H]2c2ccnn2C)cc1C ZINC000284419297 443775014 /nfs/dbraw/zinc/77/50/14/443775014.db2.gz CSGLRZWLEFNMFK-RDTXWAMCSA-N 0 3 328.416 1.847 20 10 EDCDHN Cc1cc(Cl)cc(C[NH2+]CCNS(=O)(=O)NC(C)C)c1[O-] ZINC000277395182 443977300 /nfs/dbraw/zinc/97/73/00/443977300.db2.gz GQHXPEXRSBUBAL-UHFFFAOYSA-N 0 3 335.857 1.276 20 10 EDCDHN CN(C)c1ccc(CNC(=O)CN[C@@H]2[C@H]3CCO[C@H]3C23CCC3)cc1 ZINC000296095435 444204458 /nfs/dbraw/zinc/20/44/58/444204458.db2.gz HQBKCXMSOONYMN-BHIYHBOVSA-N 0 3 343.471 1.916 20 10 EDCDHN Cn1cc(N2CCC[C@H]([NH2+][C@@H]3CCc4cccc([O-])c43)C2=O)cn1 ZINC000297666467 444315794 /nfs/dbraw/zinc/31/57/94/444315794.db2.gz KVTPSKKMTSCTEI-CABCVRRESA-N 0 3 326.400 1.898 20 10 EDCDHN CCOc1ccc(O)c(CN2CC[C@H](n3cc(C(=O)OC)nn3)C2)c1 ZINC000363906971 445883833 /nfs/dbraw/zinc/88/38/33/445883833.db2.gz KMRJTXJTFORNIY-ZDUSSCGKSA-N 0 3 346.387 1.616 20 10 EDCDHN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000734527063 578821341 /nfs/dbraw/zinc/82/13/41/578821341.db2.gz LSVXBAMLDZIISN-MSOLQXFVSA-N 0 3 346.475 1.723 20 10 EDCDHN COCCO[C@H]1COCC[C@H]1[NH2+]Cc1cc(OC)c(OC)cc1[O-] ZINC000777221062 580437473 /nfs/dbraw/zinc/43/74/73/580437473.db2.gz YNPAGATYTBMBHR-DYVFJYSZSA-N 0 3 341.404 1.320 20 10 EDCDHN Cc1cc(C)c(O)c(CN2CCC[C@H](CNS(C)(=O)=O)C2)c1 ZINC000754727563 579910165 /nfs/dbraw/zinc/91/01/65/579910165.db2.gz IPCWNZFDQROJAR-CQSZACIVSA-N 0 3 326.462 1.770 20 10 EDCDHN COc1cc(CN2CCC[C@@H](CNS(C)(=O)=O)C2)c(O)cc1C ZINC000768439866 580212756 /nfs/dbraw/zinc/21/27/56/580212756.db2.gz OGMCWFQIAWVBII-ZDUSSCGKSA-N 0 3 342.461 1.470 20 10 EDCDHN CCCCNC(=O)[C@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768445119 580213082 /nfs/dbraw/zinc/21/30/82/580213082.db2.gz QDJLDJDROYNXSE-GUYCJALGSA-N 0 3 348.443 1.946 20 10 EDCDHN CCCCNC(=O)[C@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768445119 580213083 /nfs/dbraw/zinc/21/30/83/580213083.db2.gz QDJLDJDROYNXSE-GUYCJALGSA-N 0 3 348.443 1.946 20 10 EDCDHN COC(=O)CCN(Cc1cc2c(cc1O)OCO2)C[C@H]1CCCO1 ZINC000769444980 580237246 /nfs/dbraw/zinc/23/72/46/580237246.db2.gz ACUSQJKEMASAPB-CYBMUJFWSA-N 0 3 337.372 1.665 20 10 EDCDHN O=C(NCc1ccc(O)c(O)c1)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000778921394 580475632 /nfs/dbraw/zinc/47/56/32/580475632.db2.gz ABJUJHRIJYFIGQ-LJQANCHMSA-N 0 3 342.395 1.351 20 10 EDCDHN COc1ccc(N2CCN(C[C@H](O)CN3CC(C)(C)C3)CC2)cc1 ZINC000788435075 580721257 /nfs/dbraw/zinc/72/12/57/580721257.db2.gz MXAHECGIKRPNGS-KRWDZBQOSA-N 0 3 333.476 1.520 20 10 EDCDHN COc1cccc(C[NH2+][C@@H]2CCC[C@H]2CNS(C)(=O)=O)c1[O-] ZINC000800309533 581050262 /nfs/dbraw/zinc/05/02/62/581050262.db2.gz KNHZBCRLLZFUMH-WCQYABFASA-N 0 3 328.434 1.208 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2C=C[C@H](CO)C2)N(C)C)cc1 ZINC000893400097 590846969 /nfs/dbraw/zinc/84/69/69/590846969.db2.gz CIJIHEBNYBOLMB-LESCRADOSA-N 0 3 346.475 1.592 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CC[C@H](C(N)=O)C2)N(C)C)cc1 ZINC000891244235 591014553 /nfs/dbraw/zinc/01/45/53/591014553.db2.gz YNBRNRHOSXCSAC-ZMSDIMECSA-N 0 3 346.475 1.373 20 10 EDCDHN CC(=O)N[C@@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C(C)C ZINC000891246175 591015398 /nfs/dbraw/zinc/01/53/98/591015398.db2.gz MXBWKYKLXMWIRL-QZTJIDSGSA-N 0 3 348.491 1.632 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)C2(C(N)=O)CCC2)N(C)C)cc1 ZINC000891253103 591020980 /nfs/dbraw/zinc/02/09/80/591020980.db2.gz QODFIDRSDQLVKI-HNNXBMFYSA-N 0 3 332.448 1.127 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)[C@H](O)C2CCOCC2)N(C)C)cc1 ZINC000891254126 591021153 /nfs/dbraw/zinc/02/11/53/591021153.db2.gz VTKZEUCSAPYFFI-ZWKOTPCHSA-N 0 3 349.475 1.259 20 10 EDCDHN COC(=O)/C=C/c1ccc(N2CC[C@@H]3CN(C)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000893940001 591144130 /nfs/dbraw/zinc/14/41/30/591144130.db2.gz LXBOHJHSJUUFAG-BDHHJBHZSA-N 0 3 331.372 1.921 20 10 EDCDHN C[C@@H]1CN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CCO1 ZINC000899104554 591684283 /nfs/dbraw/zinc/68/42/83/591684283.db2.gz RKCIVIGGDGWWAW-RHSMWYFYSA-N 0 3 334.464 1.786 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)N(C)CCCCO)N(C)C)cc1 ZINC000899104699 591684466 /nfs/dbraw/zinc/68/44/66/591684466.db2.gz SKGBRVHZCZVNDN-KRWDZBQOSA-N 0 3 336.480 1.769 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)N[C@H](CO)C2CCC2)N(C)C)cc1 ZINC000899098499 591687924 /nfs/dbraw/zinc/68/79/24/591687924.db2.gz OZYDTDIQRPBPBH-MSOLQXFVSA-N 0 3 348.491 1.816 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)N2CCC[C@](C)(O)C2)N(C)C)cc1 ZINC000899100620 591689771 /nfs/dbraw/zinc/68/97/71/591689771.db2.gz AYXMWDVYGOZTAJ-MJGOQNOKSA-N 0 3 348.491 1.912 20 10 EDCDHN C[C@@H]1CCN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)[C@@H]1CO ZINC000899100672 591689872 /nfs/dbraw/zinc/68/98/72/591689872.db2.gz CABHJRTZOUDJDX-ZTFGCOKTSA-N 0 3 348.491 1.768 20 10 EDCDHN COc1ccc(CN2CCC(N3CCOC3=O)CC2)c(O)c1OC ZINC000895462870 591766482 /nfs/dbraw/zinc/76/64/82/591766482.db2.gz CKZIUXVXHHMSJV-UHFFFAOYSA-N 0 3 336.388 1.826 20 10 EDCDHN O=C1N[C@@H](C2CC[NH+](Cc3cc4c(cc3[O-])OC[C@H]4O)CC2)CO1 ZINC000902514229 592008293 /nfs/dbraw/zinc/00/82/93/592008293.db2.gz MRMXFNKPQUZPTR-UKRRQHHQSA-N 0 3 334.372 1.138 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)[C@H]2CCc3n[nH]cc3C2)cc1 ZINC000911668215 592974574 /nfs/dbraw/zinc/97/45/74/592974574.db2.gz WKWASEYPQSOSKR-BBRMVZONSA-N 0 3 327.432 1.397 20 10 EDCDHN C[C@@H]1c2c[nH]nc2CC[C@H]1C(=O)NC[C@H](N)c1ccc(N(C)C)cc1 ZINC000911668211 592974650 /nfs/dbraw/zinc/97/46/50/592974650.db2.gz WJPWXRBMPQHTAB-MJEQTWJJSA-N 0 3 341.459 1.958 20 10 EDCDHN Cc1cc(C(=O)N[C@@H](CO)CN(C)C)c(C)n1-c1ccc(F)cc1 ZINC000808172805 593233484 /nfs/dbraw/zinc/23/34/84/593233484.db2.gz WJASIPAXYVBYSJ-OAHLLOKOSA-N 0 3 333.407 1.886 20 10 EDCDHN CCOC(=O)[C@@H]1NCC[C@@H]1NC1CCN(c2ccc(OC)cc2)CC1 ZINC000817903243 593647275 /nfs/dbraw/zinc/64/72/75/593647275.db2.gz LCBMEYBFYNPMTO-ZWKOTPCHSA-N 0 3 347.459 1.547 20 10 EDCDHN CC/C=C\CNC[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000819344554 593751340 /nfs/dbraw/zinc/75/13/40/593751340.db2.gz JJAQHIPRMZARFG-PYTPGESOSA-N 0 3 333.476 1.734 20 10 EDCDHN O=S1(=O)C[C@H](C[NH2+]Cc2cc3c(cc2[O-])OCO3)c2ccccc21 ZINC000824517468 594029587 /nfs/dbraw/zinc/02/95/87/594029587.db2.gz WAOISNLWOACLLD-LBPRGKRZSA-N 0 3 347.392 1.782 20 10 EDCDHN COc1cc([O-])c(C[N@@H+]2C[C@H](O)C[C@H]2[C@H]2CCCOC2)cc1OC ZINC000824654370 594051129 /nfs/dbraw/zinc/05/11/29/594051129.db2.gz NPCJFGAWTIIPLM-CFVMTHIKSA-N 0 3 337.416 1.771 20 10 EDCDHN COc1cc([O-])c(C[N@H+]2C[C@H](O)C[C@H]2[C@H]2CCCOC2)cc1OC ZINC000824654370 594051131 /nfs/dbraw/zinc/05/11/31/594051131.db2.gz NPCJFGAWTIIPLM-CFVMTHIKSA-N 0 3 337.416 1.771 20 10 EDCDHN COc1cc(Br)cc(C[NH2+][C@@H]2CC[C@H](C(N)=O)C2)c1[O-] ZINC000825279974 594161053 /nfs/dbraw/zinc/16/10/53/594161053.db2.gz VRJHCOGQCBFSMD-GZMMTYOYSA-N 0 3 343.221 1.907 20 10 EDCDHN CCS(=O)(=O)C1(CNCc2cc(OC)c(OC)cc2O)CC1 ZINC000827579985 594237611 /nfs/dbraw/zinc/23/76/11/594237611.db2.gz NWIXLIBKNDCHBC-UHFFFAOYSA-N 0 3 329.418 1.466 20 10 EDCDHN COc1ccc(N2CCC(NC(=O)C[C@@H]3CNCCO3)CC2)cc1 ZINC000828353348 594399073 /nfs/dbraw/zinc/39/90/73/594399073.db2.gz MMIKMSSUUVYQPP-QGZVFWFLSA-N 0 3 333.432 1.159 20 10 EDCDHN COC(=O)N[C@H](C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1)C(C)C ZINC000832272710 594739473 /nfs/dbraw/zinc/73/94/73/594739473.db2.gz JHMGKBMQUZNNHU-CABCVRRESA-N 0 3 336.436 1.249 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)CCCNC(=O)C(C)(C)C)cc1 ZINC000832280315 594739872 /nfs/dbraw/zinc/73/98/72/594739872.db2.gz OTUUYLPJYQQIAL-INIZCTEOSA-N 0 3 348.491 1.811 20 10 EDCDHN C[C@H]1CN(C(=O)C(=O)Nc2ccc(N)cc2)CCN(C2CCC2)C1 ZINC000841134747 594856992 /nfs/dbraw/zinc/85/69/92/594856992.db2.gz VNKHORFOYJOAIP-CYBMUJFWSA-N 0 3 330.432 1.540 20 10 EDCDHN CN1CCN(CCC(C)(C)NC(=O)NCCc2ccc(N)cc2)CC1 ZINC000841959926 594990024 /nfs/dbraw/zinc/99/00/24/594990024.db2.gz RZEXKGZXFDFUCO-UHFFFAOYSA-N 0 3 347.507 1.527 20 10 EDCDHN CCC[C@H](O)[C@@H](CO)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000842225053 595044188 /nfs/dbraw/zinc/04/41/88/595044188.db2.gz GPPNNSOOVOMBGZ-WBVHZDCISA-N 0 3 326.412 1.274 20 10 EDCDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCCc1ccc(N)cc1 ZINC000842243563 595052559 /nfs/dbraw/zinc/05/25/59/595052559.db2.gz ZMXXVJJLDGDUPG-SJORKVTESA-N 0 3 344.459 1.013 20 10 EDCDHN COc1ccccc1S(=O)(=O)NC[C@@H](N)c1ccc(N(C)C)cc1 ZINC000842784881 595197293 /nfs/dbraw/zinc/19/72/93/595197293.db2.gz BTMGJTOYVSLPIX-OAHLLOKOSA-N 0 3 349.456 1.740 20 10 EDCDHN COc1cccc(NCC(=O)NC[C@H](N)c2ccc(N(C)C)cc2)c1 ZINC000846663936 595295434 /nfs/dbraw/zinc/29/54/34/595295434.db2.gz SICFLGRSEZUZGY-SFHVURJKSA-N 0 3 342.443 1.989 20 10 EDCDHN O=C1O[C@H](CNCc2ccc(N3CCOCC3)cc2)CN1C1CC1 ZINC000848578266 595407216 /nfs/dbraw/zinc/40/72/16/595407216.db2.gz PTYTVEXMLBTQNJ-QGZVFWFLSA-N 0 3 331.416 1.596 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNC(=O)Cc2cc(C3CC3)no2)cc1 ZINC000852791283 595544717 /nfs/dbraw/zinc/54/47/17/595544717.db2.gz FWOZVSNTMBAKQM-MRXNPFEDSA-N 0 3 328.416 1.977 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)Cn2cc(C3CC3)cn2)cc1 ZINC000852792696 595544791 /nfs/dbraw/zinc/54/47/91/595544791.db2.gz ZUBPGJHBHSCHAJ-KRWDZBQOSA-N 0 3 327.432 1.643 20 10 EDCDHN CNS(=O)(=O)C[C@@H]1CCCN(Cc2ccc(N(C)C)c(C)c2)C1 ZINC000860193865 595608689 /nfs/dbraw/zinc/60/86/89/595608689.db2.gz PVOLORNQMSCHPE-MRXNPFEDSA-N 0 3 339.505 1.822 20 10 EDCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@]23COCCN2C(=O)COC3)c([O-])c1 ZINC000866551520 596246898 /nfs/dbraw/zinc/24/68/98/596246898.db2.gz APXQEPCHZGBLBR-KBXCAEBGSA-N 0 3 334.416 1.287 20 10 EDCDHN Cc1ccc(O)c(CNC(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)c1 ZINC000862760122 596406352 /nfs/dbraw/zinc/40/63/52/596406352.db2.gz MTYNTNDPSKBZGQ-HXUWFJFHSA-N 0 3 340.423 1.954 20 10 EDCDHN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CN2CCN1CCC2 ZINC000863941803 596722615 /nfs/dbraw/zinc/72/26/15/596722615.db2.gz MHVMKSUWWHJTJZ-LJQANCHMSA-N 0 3 344.503 1.880 20 10 EDCDHN O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CCN(Cc2c([O-])cccc2Cl)C1 ZINC000872254970 596855833 /nfs/dbraw/zinc/85/58/33/596855833.db2.gz HEEUSICSAUYDOF-ZBINZKHDSA-N 0 3 337.807 1.413 20 10 EDCDHN Cc1n[nH]c(C)c1CCC(=O)NC[C@@H](N)c1ccc(N(C)C)cc1 ZINC000876507240 597224343 /nfs/dbraw/zinc/22/43/43/597224343.db2.gz YVESMDNUGTYRQY-QGZVFWFLSA-N 0 3 329.448 1.841 20 10 EDCDHN CC(C)N1C(=O)CC[C@H]1C(=O)NC[C@H](N)c1ccc(N(C)C)cc1 ZINC000876506257 597224488 /nfs/dbraw/zinc/22/44/88/597224488.db2.gz HTPFNBHKWKODSS-HOTGVXAUSA-N 0 3 332.448 1.268 20 10 EDCDHN Cc1cccc([O-])c1C[N@@H+]1CCCN(CC(=O)N2CCCC2)CC1 ZINC000876568797 597244180 /nfs/dbraw/zinc/24/41/80/597244180.db2.gz SAELFKIBPHQLGS-UHFFFAOYSA-N 0 3 331.460 1.831 20 10 EDCDHN Cc1cccc([O-])c1C[N@H+]1CCCN(CC(=O)N2CCCC2)CC1 ZINC000876568797 597244184 /nfs/dbraw/zinc/24/41/84/597244184.db2.gz SAELFKIBPHQLGS-UHFFFAOYSA-N 0 3 331.460 1.831 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN(C)C[C@@H]1CCC[C@H]1O)cc2=O ZINC000270064665 249381804 /nfs/dbraw/zinc/38/18/04/249381804.db2.gz HGJZRWASWJOBHI-SMDDNHRTSA-N 0 3 348.403 1.204 20 10 EDCDHN CN1CCc2cc(CNC(=O)N3CC[C@H]4CCN(C)C[C@@H]43)ccc21 ZINC000372466858 250221115 /nfs/dbraw/zinc/22/11/15/250221115.db2.gz RFAWZHKIWQASTG-QAPCUYQASA-N 0 3 328.460 1.915 20 10 EDCDHN COC(=O)c1cn([C@@H]2CCN(Cc3cccc(OC)c3O)C2)nn1 ZINC000375199349 250281393 /nfs/dbraw/zinc/28/13/93/250281393.db2.gz AZNXNVFKEUGBAX-GFCCVEGCSA-N 0 3 332.360 1.226 20 10 EDCDHN COc1cccc(CN2CCCC[C@@H]2CCNS(C)(=O)=O)c1O ZINC000159435798 441813724 /nfs/dbraw/zinc/81/37/24/441813724.db2.gz KZFHPPZKTSCMTB-CQSZACIVSA-N 0 3 342.461 1.695 20 10 EDCDHN CCN(CC)c1ccc(CNC(=O)NCC2(O)CCN(C)CC2)cc1 ZINC000077781495 441859985 /nfs/dbraw/zinc/85/99/85/441859985.db2.gz CEKMOYJLWUSMTC-UHFFFAOYSA-N 0 3 348.491 1.789 20 10 EDCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)cc1OC ZINC000160473887 441886804 /nfs/dbraw/zinc/88/68/04/441886804.db2.gz NWOAZFWHULIAJS-CYBMUJFWSA-N 0 3 332.404 1.913 20 10 EDCDHN COc1cc([O-])c(C[N@H+]2CCC[C@@H](Cn3ccnn3)C2)cc1OC ZINC000160473887 441886811 /nfs/dbraw/zinc/88/68/11/441886811.db2.gz NWOAZFWHULIAJS-CYBMUJFWSA-N 0 3 332.404 1.913 20 10 EDCDHN COc1ccc(N2CCN(CCNC(=O)[C@@H]3CCCCN3)CC2)cc1 ZINC000269280835 443265209 /nfs/dbraw/zinc/26/52/09/443265209.db2.gz FEGOUCDVQQFKLT-SFHVURJKSA-N 0 3 346.475 1.076 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCC[C@@H]1C[C@@H](C)O)cc2=O ZINC000269850612 443454336 /nfs/dbraw/zinc/45/43/36/443454336.db2.gz TWVCJFCKKOGQQA-DGCLKSJQSA-N 0 3 348.403 1.347 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCC[C@H]1C[C@@H](C)O)cc2=O ZINC000269850621 443454689 /nfs/dbraw/zinc/45/46/89/443454689.db2.gz TWVCJFCKKOGQQA-YPMHNXCESA-N 0 3 348.403 1.347 20 10 EDCDHN CCCOc1ccc(CN2CCN(CCC(=O)N(C)C)CC2)c(O)c1 ZINC000271188589 443494785 /nfs/dbraw/zinc/49/47/85/443494785.db2.gz OHEMMDRIYNHGGR-UHFFFAOYSA-N 0 3 349.475 1.777 20 10 EDCDHN CCOC(=O)[C@@H](C)[C@@H](C)NCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000273973328 443588883 /nfs/dbraw/zinc/58/88/83/443588883.db2.gz HSEXYMOIGIYNMA-LSDHHAIUSA-N 0 3 349.475 1.888 20 10 EDCDHN O=c1[nH]ccnc1N1CCC[C@@H](NCc2ccc3c(c2)CCO3)C1 ZINC000275604487 443633348 /nfs/dbraw/zinc/63/33/48/443633348.db2.gz QOKOTIVSZCMHFF-OAHLLOKOSA-N 0 3 326.400 1.876 20 10 EDCDHN CN(C)c1ccc(CNC(=O)C(=O)NC2CCN(C3CC3)CC2)cc1 ZINC000283666009 443685944 /nfs/dbraw/zinc/68/59/44/443685944.db2.gz YNDHOVCFIDQILQ-UHFFFAOYSA-N 0 3 344.459 1.112 20 10 EDCDHN CC[C@@H](C)N(CCO)CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000286728427 443722367 /nfs/dbraw/zinc/72/23/67/443722367.db2.gz BLCYHDWHUJCXNA-MRXNPFEDSA-N 0 3 349.475 1.437 20 10 EDCDHN CNC(=O)[C@@]1(C)CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000281073440 443810944 /nfs/dbraw/zinc/81/09/44/443810944.db2.gz KXEIEELJLWLTLF-IBGZPJMESA-N 0 3 346.475 1.169 20 10 EDCDHN COc1ccc([O-])c(C[NH2+]C[C@@H](O)CN2CCc3ccccc3C2)c1 ZINC000293535716 444046640 /nfs/dbraw/zinc/04/66/40/444046640.db2.gz CIDOHJGUKWFBCF-GOSISDBHSA-N 0 3 342.439 1.910 20 10 EDCDHN C[C@@H](NC[C@H]1CC[C@@H](CO)O1)c1ccc(N2CCOCC2)c(F)c1 ZINC000293748726 444087501 /nfs/dbraw/zinc/08/75/01/444087501.db2.gz QBGQVGZDMKBAKN-BMFZPTHFSA-N 0 3 338.423 1.853 20 10 EDCDHN COc1cccc(CN(C)C[C@H](O)CNC(=O)OC(C)(C)C)c1O ZINC000295113555 444165925 /nfs/dbraw/zinc/16/59/25/444165925.db2.gz LZOJHGNZPQBSJY-CYBMUJFWSA-N 0 3 340.420 1.718 20 10 EDCDHN COc1ccc([O-])c(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)c1 ZINC000289534852 444166656 /nfs/dbraw/zinc/16/66/56/444166656.db2.gz HVNATQJMELJYQY-MQVJKMGUSA-N 0 3 347.459 1.574 20 10 EDCDHN CO[C@@H](CN)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000290156469 444249238 /nfs/dbraw/zinc/24/92/38/444249238.db2.gz NQEDBSIWCGWGLM-RISCZKNCSA-N 0 3 343.374 1.347 20 10 EDCDHN COCCN1CCC[C@@H]1CNC(=O)NCc1ccc2c(c1)CCN2C ZINC000363774929 445875286 /nfs/dbraw/zinc/87/52/86/445875286.db2.gz CGRVLRSAANPIRY-QGZVFWFLSA-N 0 3 346.475 1.589 20 10 EDCDHN CCOc1cccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2c2cnn(C)c2)c1[O-] ZINC000364697308 445946381 /nfs/dbraw/zinc/94/63/81/445946381.db2.gz OHRQONMNHGYQPS-PBHICJAKSA-N 0 3 344.415 1.634 20 10 EDCDHN COc1cc([O-])c(C[NH+]2CCC3(CCN(C)C3=O)CC2)cc1OC ZINC000365196040 446074599 /nfs/dbraw/zinc/07/45/99/446074599.db2.gz JECTWHUUIGQERV-UHFFFAOYSA-N 0 3 334.416 1.854 20 10 EDCDHN CCCN(Cc1ccccc1O)C(=O)NC1CCN(CCO)CC1 ZINC000732466151 578714084 /nfs/dbraw/zinc/71/40/84/578714084.db2.gz LZFFDGBCQNFNSQ-UHFFFAOYSA-N 0 3 335.448 1.771 20 10 EDCDHN O=C(NCc1ccccc1O)NC1CCN(C[C@H]2CCCO2)CC1 ZINC000734272608 578804155 /nfs/dbraw/zinc/80/41/55/578804155.db2.gz NDZNQUKDMNQSSE-MRXNPFEDSA-N 0 3 333.432 1.835 20 10 EDCDHN CN(Cc1ccccc1O)C(=O)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000735849493 578928717 /nfs/dbraw/zinc/92/87/17/578928717.db2.gz JXYAQVMYODPHSJ-HXUWFJFHSA-N 0 3 340.423 1.988 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN(CCCCO)C1CC1)cc2=O ZINC000735871732 578931012 /nfs/dbraw/zinc/93/10/12/578931012.db2.gz OCZYGRAXEDAHKW-UHFFFAOYSA-N 0 3 348.403 1.349 20 10 EDCDHN COc1cccc(CNC(=O)Nc2cnn(CCN(C)C)c2)c1O ZINC000747558794 579648993 /nfs/dbraw/zinc/64/89/93/579648993.db2.gz YASICXXQFWGZEH-UHFFFAOYSA-N 0 3 333.392 1.481 20 10 EDCDHN COC(=O)C[C@]1(NCc2ccc(N3CCN(C)CC3)cc2)CCOC1 ZINC000766469383 580167732 /nfs/dbraw/zinc/16/77/32/580167732.db2.gz OIQPPZROBBWZPV-LJQANCHMSA-N 0 3 347.459 1.250 20 10 EDCDHN CCOc1ccc([O-])c(C[NH+]2CCC(OCCC(=O)NC)CC2)c1 ZINC000770286673 580257342 /nfs/dbraw/zinc/25/73/42/580257342.db2.gz PNDSSTXBWOGUPQ-UHFFFAOYSA-N 0 3 336.432 1.908 20 10 EDCDHN C[C@@H](NCC(=O)NC1CCOCC1)c1ccc(N2CCOCC2)cc1 ZINC000775259874 580387058 /nfs/dbraw/zinc/38/70/58/580387058.db2.gz ZZZHXWPXFUCVAJ-OAHLLOKOSA-N 0 3 347.459 1.469 20 10 EDCDHN COCCS(=O)(=O)CCC[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000775374713 580389523 /nfs/dbraw/zinc/38/95/23/580389523.db2.gz DDPAIJNSSWTTTQ-LBPRGKRZSA-N 0 3 331.434 1.503 20 10 EDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCCN2C(=O)NC(C)(C)C2=O)c1 ZINC000775372698 580389555 /nfs/dbraw/zinc/38/95/55/580389555.db2.gz GIFXNTUSNVREPU-LLVKDONJSA-N 0 3 335.404 1.772 20 10 EDCDHN CC[C@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1ccccc1[O-] ZINC000775497700 580392453 /nfs/dbraw/zinc/39/24/53/580392453.db2.gz CGSFPOUPZKNQLJ-HNNXBMFYSA-N 0 3 341.477 1.010 20 10 EDCDHN CCO[C@@H]1C[C@H](NCc2ccc(N3CCN(C)CC3)cc2)[C@@H]1OC ZINC000775979238 580405612 /nfs/dbraw/zinc/40/56/12/580405612.db2.gz SVBCPWRPCUZSAZ-OTWHNJEPSA-N 0 3 333.476 1.720 20 10 EDCDHN CCOc1ccc(C[NH2+][C@H]2CCN(C3CCOCC3)C2=O)c([O-])c1 ZINC000776229755 580412094 /nfs/dbraw/zinc/41/20/94/580412094.db2.gz CTWLWEUQKGHPJJ-INIZCTEOSA-N 0 3 334.416 1.660 20 10 EDCDHN CCO[C@H]1COCC[C@@H]1NCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000776485841 580418392 /nfs/dbraw/zinc/41/83/92/580418392.db2.gz ATYWRLDJBVSVPS-ROUUACIJSA-N 0 3 349.475 1.495 20 10 EDCDHN CN(C)c1ccc(CN(C)C(=O)CN[C@H](CO)C2CCOCC2)cc1 ZINC000782530847 580576954 /nfs/dbraw/zinc/57/69/54/580576954.db2.gz YRRJQFVDJHJOTH-GOSISDBHSA-N 0 3 349.475 1.088 20 10 EDCDHN CN(CC[NH2+]Cc1ccccc1[O-])S(=O)(=O)c1ccc(F)cc1 ZINC000797879390 580983000 /nfs/dbraw/zinc/98/30/00/580983000.db2.gz KIGGUJIWYLOAAY-UHFFFAOYSA-N 0 3 338.404 1.942 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)/C=C\c2cn(C)cn2)N(C)C)cc1 ZINC000891241251 591012995 /nfs/dbraw/zinc/01/29/95/591012995.db2.gz AAERWKWAIRCUFX-IBWPDUFMSA-N 0 3 341.459 1.918 20 10 EDCDHN CCN1C[C@H](C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CC1=O ZINC000891251222 591020100 /nfs/dbraw/zinc/02/01/00/591020100.db2.gz AZELTADHRZUEOP-WBVHZDCISA-N 0 3 346.475 1.340 20 10 EDCDHN COc1ccc(CN2CCC[C@H](N3CCNC3=O)C2)c(O)c1OC ZINC000891746298 591207739 /nfs/dbraw/zinc/20/77/39/591207739.db2.gz SJNVWJLNEWEGMA-ZDUSSCGKSA-N 0 3 335.404 1.399 20 10 EDCDHN C[C@H]1NCCN(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)[C@@H]1C ZINC000892939767 591231628 /nfs/dbraw/zinc/23/16/28/591231628.db2.gz OFVBPBLKYXFLRS-HZPDHXFCSA-N 0 3 345.491 1.330 20 10 EDCDHN COc1cc(C)cc(CN[C@@H]2CCCN(c3ccn(C)n3)C2=O)c1O ZINC000894310284 591274178 /nfs/dbraw/zinc/27/41/78/591274178.db2.gz QULZPPVUWWJPHR-CQSZACIVSA-N 0 3 344.415 1.728 20 10 EDCDHN COc1ccc(CN2C[C@@H](N3CCOCC3)C[C@H]2C)c(O)c1OC ZINC000894407330 591303693 /nfs/dbraw/zinc/30/36/93/591303693.db2.gz MHUCREZBCDFQHA-HIFRSBDPSA-N 0 3 336.432 1.704 20 10 EDCDHN CC1(C)OC[C@H](CNCc2ccc(N3CCC(C(N)=O)CC3)cc2)O1 ZINC000896053926 591333666 /nfs/dbraw/zinc/33/36/66/591333666.db2.gz MLHPXFZSRIHGID-KRWDZBQOSA-N 0 3 347.459 1.629 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)NCCC2(O)CCC2)N(C)C)cc1 ZINC000894702578 591392020 /nfs/dbraw/zinc/39/20/20/591392020.db2.gz IXRAQVCRPAPFIE-KRWDZBQOSA-N 0 3 348.491 1.960 20 10 EDCDHN COc1cc(C)cc(CNC[C@]2(OC)CCS(=O)(=O)C2)c1O ZINC000896684557 591574233 /nfs/dbraw/zinc/57/42/33/591574233.db2.gz VUZFJUACSVUDOK-OAHLLOKOSA-N 0 3 329.418 1.003 20 10 EDCDHN C[C@@H]1CN(C/C=C/c2ccc(N(C)C)cc2)C[C@H]1CS(N)(=O)=O ZINC000897608009 591581100 /nfs/dbraw/zinc/58/11/00/591581100.db2.gz UVLKYMIOQDMLJC-SBAHZNLJSA-N 0 3 337.489 1.622 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)N2CC3(C2)CCCO3)N(C)C)cc1 ZINC000899098024 591688108 /nfs/dbraw/zinc/68/81/08/591688108.db2.gz KNMBWRQZDLMXKY-QGZVFWFLSA-N 0 3 346.475 1.930 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)N2CC=C[C@H]2CO)N(C)C)cc1 ZINC000899098519 591688343 /nfs/dbraw/zinc/68/83/43/591688343.db2.gz PFICVWFTMSQWBH-IRXDYDNUSA-N 0 3 332.448 1.298 20 10 EDCDHN CCOc1cccc(CN2CC(c3cc(C(=O)OC)n[nH]3)C2)c1O ZINC000898005238 591743373 /nfs/dbraw/zinc/74/33/73/591743373.db2.gz XMCBCJSNEFGQHP-UHFFFAOYSA-N 0 3 331.372 1.900 20 10 EDCDHN CCOc1ccc(O)c(C[NH2+][C@@H]2CCN(c3cc(=O)[n-]cn3)C2)c1 ZINC000898158824 591807564 /nfs/dbraw/zinc/80/75/64/591807564.db2.gz GCYWXSAEQBYSKH-CYBMUJFWSA-N 0 3 330.388 1.655 20 10 EDCDHN CC[C@H](NC[C@@]1(OC)CCS(=O)(=O)C1)c1ccc(N(C)C)cc1 ZINC000903368286 592161268 /nfs/dbraw/zinc/16/12/68/592161268.db2.gz MPQZFIYPJDGHSZ-IRXDYDNUSA-N 0 3 340.489 1.997 20 10 EDCDHN CC(C)N1CCN(CCCC(=O)NCc2ccc(O)cc2O)CC1 ZINC000910944926 592905413 /nfs/dbraw/zinc/90/54/13/592905413.db2.gz PQEAHPOITYOAIM-UHFFFAOYSA-N 0 3 335.448 1.520 20 10 EDCDHN C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000795689517 593190477 /nfs/dbraw/zinc/19/04/77/593190477.db2.gz HWZQLLXIBMLKKS-HACGYAERSA-N 0 3 334.416 1.113 20 10 EDCDHN C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000795689517 593190478 /nfs/dbraw/zinc/19/04/78/593190478.db2.gz HWZQLLXIBMLKKS-HACGYAERSA-N 0 3 334.416 1.113 20 10 EDCDHN Cc1cc(CN(CCO)CCOCCO)ccc1N1CCCCC1 ZINC000839194014 593273570 /nfs/dbraw/zinc/27/35/70/593273570.db2.gz AZBPQLMPMKCUKN-UHFFFAOYSA-N 0 3 336.476 1.789 20 10 EDCDHN CNC(=O)NC(=O)CCN[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000839543057 593337424 /nfs/dbraw/zinc/33/74/24/593337424.db2.gz XEXMLJXZIXLRLB-ZDUSSCGKSA-N 0 3 334.420 1.020 20 10 EDCDHN OC[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)CCC1(F)F ZINC000812775172 593509099 /nfs/dbraw/zinc/50/90/99/593509099.db2.gz IBWDGSOORYAJMR-HNNXBMFYSA-N 0 3 326.387 1.973 20 10 EDCDHN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000817828650 593637936 /nfs/dbraw/zinc/63/79/36/593637936.db2.gz LHAGPLVEIYIPLP-KRWDZBQOSA-N 0 3 346.475 1.230 20 10 EDCDHN COc1ccc(-n2c(C)cc(C(=O)NC[C@@H]3CNCCO3)c2C)cc1 ZINC000818008047 593656775 /nfs/dbraw/zinc/65/67/75/593656775.db2.gz OAQBKVYMHOLVPV-KRWDZBQOSA-N 0 3 343.427 1.821 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCN(C)C[C@@H]1CC)cc2=O ZINC000821336580 594021298 /nfs/dbraw/zinc/02/12/98/594021298.db2.gz DTCROCIBUIAYNS-ZDUSSCGKSA-N 0 3 347.419 1.138 20 10 EDCDHN CCC[C@](C)(N)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000827469281 594674999 /nfs/dbraw/zinc/67/49/99/594674999.db2.gz TUBJVWDYHGOGPP-BEFAXECRSA-N 0 3 346.475 1.522 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNC(=O)CNC(=O)c2ccccc2)cc1 ZINC000832292532 594740635 /nfs/dbraw/zinc/74/06/35/594740635.db2.gz IJPHWANFLDTYJO-QGZVFWFLSA-N 0 3 340.427 1.299 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)[C@@H]2NCCc3ccccc32)cc1 ZINC000841845980 594963735 /nfs/dbraw/zinc/96/37/35/594963735.db2.gz INQYGVBENMIXQC-RBUKOAKNSA-N 0 3 338.455 1.756 20 10 EDCDHN C[C@@H](CNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)N(C)C ZINC000836622685 594981442 /nfs/dbraw/zinc/98/14/42/594981442.db2.gz VXVAHFBEJNXKGA-HNNXBMFYSA-N 0 3 348.491 1.645 20 10 EDCDHN O=C(NCc1cc(Br)ccc1[O-])NC[C@H]1CCC[NH2+]C1 ZINC000841923504 594982490 /nfs/dbraw/zinc/98/24/90/594982490.db2.gz JDHLEWZHSYULAN-JTQLQIEISA-N 0 3 342.237 1.954 20 10 EDCDHN O=C(NCC[C@@H]1CC[NH2+]C1)NCc1cc(Br)ccc1[O-] ZINC000841938984 594985883 /nfs/dbraw/zinc/98/58/83/594985883.db2.gz SDLXCTGBOAZXNC-JTQLQIEISA-N 0 3 342.237 1.954 20 10 EDCDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCCc1ccc(N)cc1 ZINC000842053095 595010476 /nfs/dbraw/zinc/01/04/76/595010476.db2.gz IFSYOYFBIHLPEK-HUUCEWRRSA-N 0 3 346.475 1.164 20 10 EDCDHN CCCC[C@H](CN)NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000842149335 595023331 /nfs/dbraw/zinc/02/33/31/595023331.db2.gz WCZDUTNGAKWEOO-CYBMUJFWSA-N 0 3 338.427 1.142 20 10 EDCDHN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCC[C@@H](C)[C@H]1CN ZINC000842152354 595024341 /nfs/dbraw/zinc/02/43/41/595024341.db2.gz HKGRMDOQZOMHNM-CXAGYDPISA-N 0 3 346.475 1.263 20 10 EDCDHN C[C@H](NC(=O)C(=O)N[C@@H](CN)C1CCCC1)c1ccc(N(C)C)cc1 ZINC000842203666 595037593 /nfs/dbraw/zinc/03/75/93/595037593.db2.gz VTWNVJUFULMFIJ-GUYCJALGSA-N 0 3 346.475 1.564 20 10 EDCDHN CCC[C@@H](O)[C@H](CO)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000842225050 595044467 /nfs/dbraw/zinc/04/44/67/595044467.db2.gz GPPNNSOOVOMBGZ-DOTOQJQBSA-N 0 3 326.412 1.274 20 10 EDCDHN CC(=O)N[C@@H](C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1)C1CCCC1 ZINC000843299378 595066415 /nfs/dbraw/zinc/06/64/15/595066415.db2.gz SJDVZJCKHUBFNH-QZTJIDSGSA-N 0 3 346.475 1.564 20 10 EDCDHN COCC[C@@H](C)S(=O)(=O)NC[C@H](N)c1ccc(N(C)C)cc1 ZINC000842785109 595197477 /nfs/dbraw/zinc/19/74/77/595197477.db2.gz OXVQVHRPSBYOQQ-DOMZBBRYSA-N 0 3 329.466 1.097 20 10 EDCDHN COCC(=O)NC1CCN(C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000835026686 595247730 /nfs/dbraw/zinc/24/77/30/595247730.db2.gz ZQLMIQKSSCFPJY-SNAWJCMRSA-N 0 3 331.460 1.993 20 10 EDCDHN O=C([C@@H]1CCC[N@@H+](Cc2c([O-])cccc2Cl)C1)N1CCNCC1 ZINC000843047540 595272620 /nfs/dbraw/zinc/27/26/20/595272620.db2.gz VLXPTKPFIXSIBC-CYBMUJFWSA-N 0 3 337.851 1.689 20 10 EDCDHN O=C([C@@H]1CCC[N@H+](Cc2c([O-])cccc2Cl)C1)N1CCNCC1 ZINC000843047540 595272621 /nfs/dbraw/zinc/27/26/21/595272621.db2.gz VLXPTKPFIXSIBC-CYBMUJFWSA-N 0 3 337.851 1.689 20 10 EDCDHN CN1CCCc2cc(CNC(=O)N[C@H](CN)C(F)(F)F)ccc21 ZINC000848595569 595413536 /nfs/dbraw/zinc/41/35/36/595413536.db2.gz LZFOKRJCZKDCFD-CYBMUJFWSA-N 0 3 330.354 1.758 20 10 EDCDHN COC(=O)CCN1CCC[C@@H](N[C@@H](C)c2ccc(N(C)C)cc2)C1=O ZINC000849319856 595505625 /nfs/dbraw/zinc/50/56/25/595505625.db2.gz HEURQKSDYYFPMZ-WMLDXEAASA-N 0 3 347.459 1.957 20 10 EDCDHN C[C@@H]1CCN(C(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)[C@H](CN)C1 ZINC000852923813 595616981 /nfs/dbraw/zinc/61/69/81/595616981.db2.gz FFZPVWYPMFZTLG-PBHICJAKSA-N 0 3 346.475 1.297 20 10 EDCDHN CN(C)c1cc(F)c(CNC[C@H]2CCCS(=O)(=O)C2)cc1F ZINC000858163327 595716945 /nfs/dbraw/zinc/71/69/45/595716945.db2.gz BTKBKBXOBLKLLZ-LLVKDONJSA-N 0 3 332.416 1.945 20 10 EDCDHN CN(C)c1cc(F)c(CNC[C@@H]2CCCS(=O)(=O)C2)cc1F ZINC000858163329 595717238 /nfs/dbraw/zinc/71/72/38/595717238.db2.gz BTKBKBXOBLKLLZ-NSHDSACASA-N 0 3 332.416 1.945 20 10 EDCDHN CN(C)c1ccc(CN[C@@H]2CCCC[C@H]2NS(C)(=O)=O)cc1F ZINC000858252864 595743367 /nfs/dbraw/zinc/74/33/67/595743367.db2.gz VRIULQIAVNNBEK-HUUCEWRRSA-N 0 3 343.468 1.842 20 10 EDCDHN CCN1CCN(c2ccc(CN[C@H](C)Cn3cncn3)cc2F)CC1 ZINC000850433332 595832867 /nfs/dbraw/zinc/83/28/67/595832867.db2.gz LGUWECDOIMUVFQ-OAHLLOKOSA-N 0 3 346.454 1.737 20 10 EDCDHN CCC[N@H+](Cc1ccccc1[O-])[C@@H]1CCN(CCC(=O)OC)C1=O ZINC000851792488 595925542 /nfs/dbraw/zinc/92/55/42/595925542.db2.gz PHBRYLJCEMBOOR-OAHLLOKOSA-N 0 3 334.416 1.768 20 10 EDCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@@H]1CCN(CCC(=O)OC)C1=O ZINC000851792488 595925545 /nfs/dbraw/zinc/92/55/45/595925545.db2.gz PHBRYLJCEMBOOR-OAHLLOKOSA-N 0 3 334.416 1.768 20 10 EDCDHN CC(C)[C@H](C(=O)NCc1ccc(N2CCC(O)CC2)cc1)N(C)C ZINC000856211560 595926781 /nfs/dbraw/zinc/92/67/81/595926781.db2.gz USASPCSLSPEUGE-GOSISDBHSA-N 0 3 333.476 1.850 20 10 EDCDHN CN(C)c1ccc(CN2CCC(NC(=O)N3CCOCC3)CC2)cc1 ZINC000852189709 596079734 /nfs/dbraw/zinc/07/97/34/596079734.db2.gz PCBHOWBKBMQHKD-UHFFFAOYSA-N 0 3 346.475 1.759 20 10 EDCDHN CN1CCn2nc(NCc3ccc(N4CCOCC4)cc3)cc2C1 ZINC000865845053 596700955 /nfs/dbraw/zinc/70/09/55/596700955.db2.gz GEQCQUYDFVMWOT-UHFFFAOYSA-N 0 3 327.432 1.777 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNC(=O)Cn2ncc3cccnc32)cc1 ZINC000876506952 597224368 /nfs/dbraw/zinc/22/43/68/597224368.db2.gz RQSOHLMHTSFKHY-MRXNPFEDSA-N 0 3 338.415 1.314 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)[C@H]2CCCCN(C)C2=O)cc1 ZINC000876506200 597224646 /nfs/dbraw/zinc/22/46/46/597224646.db2.gz HBDPFTQZBWTHML-CVEARBPZSA-N 0 3 332.448 1.127 20 10 EDCDHN CN(C)C(=O)C1CCN(Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876542823 597233922 /nfs/dbraw/zinc/23/39/22/597233922.db2.gz VZVDFOZIGAMROV-UHFFFAOYSA-N 0 3 345.487 1.948 20 10 EDCDHN COC(=O)NC1CCN(Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877644024 597543945 /nfs/dbraw/zinc/54/39/45/597543945.db2.gz KLJZJSSHDDECQD-UHFFFAOYSA-N 0 3 347.459 1.968 20 10 EDCDHN CCN1CCC[C@@H](NCc2ccc(N3CCOCC3)c(F)c2)C1=O ZINC000922639150 704169082 /nfs/dbraw/zinc/16/90/82/704169082.db2.gz IWPUGRRVASYKDW-MRXNPFEDSA-N 0 3 335.423 1.763 20 10 EDCDHN CCS(=O)(=O)C[C@@H](C)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000089634284 237004812 /nfs/dbraw/zinc/00/48/12/237004812.db2.gz ONJZDYUIYBWQJU-HUUCEWRRSA-N 0 3 340.489 1.997 20 10 EDCDHN CN(C)c1ccc(CNC(=O)NC[C@]2(N(C)C)CCSC2)cc1 ZINC000267251940 249356597 /nfs/dbraw/zinc/35/65/97/249356597.db2.gz ZUDLSUSLNUOYLB-QGZVFWFLSA-N 0 3 336.505 1.989 20 10 EDCDHN O=C(CC1CC[NH+](Cc2cc(F)ccc2[O-])CC1)N1CCOCC1 ZINC000361049503 250169707 /nfs/dbraw/zinc/16/97/07/250169707.db2.gz CYUXLYKMFOJGCW-UHFFFAOYSA-N 0 3 336.407 1.992 20 10 EDCDHN COc1ccc(O)c([C@@H](C)N2CC[C@]3(C2)NC(=O)N(C(C)C)C3=O)c1 ZINC000372487150 250221332 /nfs/dbraw/zinc/22/13/32/250221332.db2.gz ZQOKFGRPGLCUKU-KZULUSFZSA-N 0 3 347.415 1.867 20 10 EDCDHN CN1CCc2cc(CN[C@@H]3CCC(=O)N[C@@H]3[C@@H]3CCCO3)ccc21 ZINC000377723826 250290268 /nfs/dbraw/zinc/29/02/68/250290268.db2.gz LNFXVZMJUMYQML-AYBZRNKSSA-N 0 3 329.444 1.595 20 10 EDCDHN COc1cc(O)c(CN2CCCN(c3ncccn3)CC2)cc1OC ZINC000378439381 447428656 /nfs/dbraw/zinc/42/86/56/447428656.db2.gz PDLRBBKPBYYRNC-UHFFFAOYSA-N 0 3 344.415 1.912 20 10 EDCDHN Cc1cc(Cl)cc(CN2CCCN(CC(=O)N(C)C)CC2)c1O ZINC000378439673 447428791 /nfs/dbraw/zinc/42/87/91/447428791.db2.gz SVJBNZRAOXJBED-UHFFFAOYSA-N 0 3 339.867 1.950 20 10 EDCDHN Cc1cccc(C[NH2+]C2CCN(C(=O)c3cnccn3)CC2)c1[O-] ZINC000378456402 447430006 /nfs/dbraw/zinc/43/00/06/447430006.db2.gz OFVDKSMZXSILBA-UHFFFAOYSA-N 0 3 326.400 1.885 20 10 EDCDHN COc1cccc(CN2CCC(N(C)S(C)(=O)=O)CC2)c1O ZINC000092530398 441806848 /nfs/dbraw/zinc/80/68/48/441806848.db2.gz SLJGKIRXFXVFRO-UHFFFAOYSA-N 0 3 328.434 1.257 20 10 EDCDHN Cc1ccc([O-])c(C[N@@H+]2CCCC[C@H]2CCNS(C)(=O)=O)c1 ZINC000159446395 441813753 /nfs/dbraw/zinc/81/37/53/441813753.db2.gz PLHGXTRNCFWBAM-HNNXBMFYSA-N 0 3 326.462 1.994 20 10 EDCDHN Cc1ccc([O-])c(C[N@H+]2CCCC[C@H]2CCNS(C)(=O)=O)c1 ZINC000159446395 441813758 /nfs/dbraw/zinc/81/37/58/441813758.db2.gz PLHGXTRNCFWBAM-HNNXBMFYSA-N 0 3 326.462 1.994 20 10 EDCDHN [O-]c1ccccc1C[N@H+](C[C@H](O)Cn1cccn1)C[C@@H]1CCCO1 ZINC000171922964 442391203 /nfs/dbraw/zinc/39/12/03/442391203.db2.gz VGWVBEDTTOYNKY-IRXDYDNUSA-N 0 3 331.416 1.631 20 10 EDCDHN [O-]c1ccccc1C[N@@H+](C[C@H](O)Cn1cccn1)C[C@@H]1CCCO1 ZINC000171922964 442391205 /nfs/dbraw/zinc/39/12/05/442391205.db2.gz VGWVBEDTTOYNKY-IRXDYDNUSA-N 0 3 331.416 1.631 20 10 EDCDHN C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000193044952 442708093 /nfs/dbraw/zinc/70/80/93/442708093.db2.gz RJCOFLRHZIXZDG-CQSZACIVSA-N 0 3 333.432 1.340 20 10 EDCDHN C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000193044952 442708096 /nfs/dbraw/zinc/70/80/96/442708096.db2.gz RJCOFLRHZIXZDG-CQSZACIVSA-N 0 3 333.432 1.340 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@@H](COC)C1)cc2=O ZINC000265743262 442904294 /nfs/dbraw/zinc/90/42/94/442904294.db2.gz CTQGANKATOPVSR-LLVKDONJSA-N 0 3 334.376 1.080 20 10 EDCDHN CC[C@@]1(CO)CCCN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000189630968 442987160 /nfs/dbraw/zinc/98/71/60/442987160.db2.gz ABKHZMHLYYNQJC-IBGZPJMESA-N 0 3 333.476 1.948 20 10 EDCDHN [O-]c1cc2c(cc1C[NH2+][C@@H](CO)C[C@H](O)c1ccccc1)OCO2 ZINC000269887410 443455097 /nfs/dbraw/zinc/45/50/97/443455097.db2.gz BLMLATOGUYIXLB-CABCVRRESA-N 0 3 331.368 1.695 20 10 EDCDHN C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)c3cccc(O)c3[O-])nc2)C1 ZINC000279785866 443628554 /nfs/dbraw/zinc/62/85/54/443628554.db2.gz HXHUTIQCPBANRE-ZDUSSCGKSA-N 0 3 342.399 1.885 20 10 EDCDHN C[C@H]1C[C@H](N(C)C(=O)C(=O)NCc2ccc(N(C)C)cc2)CCN1C ZINC000283564619 443662239 /nfs/dbraw/zinc/66/22/39/443662239.db2.gz RLEPBNFVTALSGS-WMLDXEAASA-N 0 3 346.475 1.310 20 10 EDCDHN CC(=O)N1CCN(c2ccc(CNC(=O)/C=C/CN(C)C)cc2)CC1 ZINC000276321442 443686802 /nfs/dbraw/zinc/68/68/02/443686802.db2.gz ZAAXVFVSQOCPTR-SNAWJCMRSA-N 0 3 344.459 1.089 20 10 EDCDHN Cc1cc(O)c(CN2CCC[C@H](S(=O)(=O)N(C)C)C2)cc1C ZINC000284999895 443815379 /nfs/dbraw/zinc/81/53/79/443815379.db2.gz GDWCSCPUAMNOGN-HNNXBMFYSA-N 0 3 326.462 1.865 20 10 EDCDHN COc1cccc(C[NH+]2CCC(C(=O)N3CCN(C)CC3)CC2)c1[O-] ZINC000289951327 444223089 /nfs/dbraw/zinc/22/30/89/444223089.db2.gz XYIFBYUAHIGSKU-UHFFFAOYSA-N 0 3 347.459 1.387 20 10 EDCDHN CCN(C)c1ccc([C@@H](C)NC[C@@]2(O)CCS(=O)(=O)C2)cc1 ZINC000296590366 444241343 /nfs/dbraw/zinc/24/13/43/444241343.db2.gz UXNAKJVNLPZAJP-CJNGLKHVSA-N 0 3 326.462 1.343 20 10 EDCDHN CN(C)C(=O)[C@@H]1CCCN1CCC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000297972321 444373424 /nfs/dbraw/zinc/37/34/24/444373424.db2.gz ZXAOYQMQHZXHSW-HOTGVXAUSA-N 0 3 331.460 1.912 20 10 EDCDHN CC(=O)N1CCN(CC[NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)CC1 ZINC000756410847 579949659 /nfs/dbraw/zinc/94/96/59/579949659.db2.gz KLTDFFYURGBZKA-DOMZBBRYSA-N 0 3 335.423 1.833 20 10 EDCDHN Cc1ccc([C@@H](C)NCCS(=O)(=O)N2CCOCC2)c(O)c1C ZINC000756688687 579955045 /nfs/dbraw/zinc/95/50/45/579955045.db2.gz QWMKTVGRQGUYQZ-CQSZACIVSA-N 0 3 342.461 1.322 20 10 EDCDHN COc1ccc(O)c([C@H](C)N[C@H](C)C(=O)N2CCC(C(N)=O)CC2)c1 ZINC000775375563 580389607 /nfs/dbraw/zinc/38/96/07/580389607.db2.gz NJKBYVPUVYPAAI-NWDGAFQWSA-N 0 3 349.431 1.164 20 10 EDCDHN C[C@H]1CCN(Cc2ccc(N3CCN(C)CC3)cc2)[C@H](C(N)=O)C1 ZINC000779200524 580480946 /nfs/dbraw/zinc/48/09/46/580480946.db2.gz IDXPSZVPJVGZAK-YJBOKZPZSA-N 0 3 330.476 1.524 20 10 EDCDHN CNC(=O)[C@@H]1CCC[C@H]1NCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000787994698 580712638 /nfs/dbraw/zinc/71/26/38/580712638.db2.gz FFRLVHMKBGECRI-IAGOWNOFSA-N 0 3 346.475 1.215 20 10 EDCDHN CCN(CC)C[C@H](C)NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000793792549 580856328 /nfs/dbraw/zinc/85/63/28/580856328.db2.gz HFGYTSORPXPUKP-LSDHHAIUSA-N 0 3 348.491 1.776 20 10 EDCDHN CC1(C)CN(Cc2cc3c(cc2O)OC[C@@H]3O)C[C@@]2(CCOC2)O1 ZINC000794695495 580903252 /nfs/dbraw/zinc/90/32/52/580903252.db2.gz QZMVAGGAAPHRBA-MAUKXSAKSA-N 0 3 335.400 1.588 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN(C)[C@H]1CCCOC1)cc2=O ZINC000796197099 580948208 /nfs/dbraw/zinc/94/82/08/580948208.db2.gz JYLJMPQIWLHNIY-LBPRGKRZSA-N 0 3 334.376 1.222 20 10 EDCDHN Cc1cc([O-])c(C[NH2+]C[C@H]2CCCCN2S(C)(=O)=O)cc1C ZINC000796510236 580955279 /nfs/dbraw/zinc/95/52/79/580955279.db2.gz JMEQQXQQPBVQCO-OAHLLOKOSA-N 0 3 326.462 1.913 20 10 EDCDHN CCOc1cccc(C[NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)c1[O-] ZINC000796514283 580955548 /nfs/dbraw/zinc/95/55/48/580955548.db2.gz XLTQFQAPAASQNP-AWEZNQCLSA-N 0 3 342.461 1.695 20 10 EDCDHN CCOc1cccc(CNC[C@@H]2CCCCN2S(C)(=O)=O)c1O ZINC000796514283 580955549 /nfs/dbraw/zinc/95/55/49/580955549.db2.gz XLTQFQAPAASQNP-AWEZNQCLSA-N 0 3 342.461 1.695 20 10 EDCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H](CN3CCOCC3)C1)[C@@H](O)CO2 ZINC000799954224 581039792 /nfs/dbraw/zinc/03/97/92/581039792.db2.gz NTNVDYOLXZAOFA-KSSFIOAISA-N 0 3 348.443 1.362 20 10 EDCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H](CN3CCOCC3)C1)[C@@H](O)CO2 ZINC000799954224 581039793 /nfs/dbraw/zinc/03/97/93/581039793.db2.gz NTNVDYOLXZAOFA-KSSFIOAISA-N 0 3 348.443 1.362 20 10 EDCDHN COc1ccc(C[NH2+]C[C@@H]2COC3(CCOCC3)O2)c([O-])c1OC ZINC000893321271 590777807 /nfs/dbraw/zinc/77/78/07/590777807.db2.gz XVAJDSBKIGBYJR-CYBMUJFWSA-N 0 3 339.388 1.421 20 10 EDCDHN CC(C)C[C@@H](C(N)=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891246605 591016376 /nfs/dbraw/zinc/01/63/76/591016376.db2.gz BYKDWWFXEAQAMK-IRXDYDNUSA-N 0 3 348.491 1.619 20 10 EDCDHN CC(C)C[C@@H](C(N)=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891246603 591016613 /nfs/dbraw/zinc/01/66/13/591016613.db2.gz BYKDWWFXEAQAMK-DLBZAZTESA-N 0 3 348.491 1.619 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@]2(O)CCSC2)N(C)C)cc1 ZINC000891247874 591017097 /nfs/dbraw/zinc/01/70/97/591017097.db2.gz INHGUMLXBAPBTM-WBVHZDCISA-N 0 3 337.489 1.340 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)CCc2ncc[nH]2)N(C)C)cc1 ZINC000891248335 591017493 /nfs/dbraw/zinc/01/74/93/591017493.db2.gz KTTRZFLFDMEIRS-MRXNPFEDSA-N 0 3 329.448 1.827 20 10 EDCDHN CC[C@@]1(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CCNC1=O ZINC000891248207 591017992 /nfs/dbraw/zinc/01/79/92/591017992.db2.gz WWYDTEZOUKRLET-QFBILLFUSA-N 0 3 346.475 1.388 20 10 EDCDHN COC(=O)CCCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891249125 591018827 /nfs/dbraw/zinc/01/88/27/591018827.db2.gz QIUQUXPOWAVUQT-INIZCTEOSA-N 0 3 335.448 1.815 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCCN2C=O)N(C)C)cc1 ZINC000891250256 591019653 /nfs/dbraw/zinc/01/96/53/591019653.db2.gz VVGZJQQUUYRZKK-IRXDYDNUSA-N 0 3 332.448 1.092 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@@]2(C)CCC(=O)NC2)N(C)C)cc1 ZINC000891250752 591019774 /nfs/dbraw/zinc/01/97/74/591019774.db2.gz ZQXNSTKGVHWHPK-APWZRJJASA-N 0 3 346.475 1.388 20 10 EDCDHN CCNC(=O)CCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891253375 591020370 /nfs/dbraw/zinc/02/03/70/591020370.db2.gz RSUJMBNSRMSSGI-MRXNPFEDSA-N 0 3 334.464 1.388 20 10 EDCDHN CCn1nc2c(cc1=O)CN(Cc1cc(C)cc(OC)c1O)CC2 ZINC000894070119 591179451 /nfs/dbraw/zinc/17/94/51/591179451.db2.gz NXSBHSVJNNLHHX-UHFFFAOYSA-N 0 3 329.400 1.844 20 10 EDCDHN COc1ccc(N2CC[C@@H](NC(=O)NCCN3CC[C@@H](C)C3)C2)cc1 ZINC000895651090 591238047 /nfs/dbraw/zinc/23/80/47/591238047.db2.gz SXXPYSMLBJMQJS-HZPDHXFCSA-N 0 3 346.475 1.915 20 10 EDCDHN COC(=O)[C@@]1(O)CCN(Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000895702565 591254406 /nfs/dbraw/zinc/25/44/06/591254406.db2.gz QQNQVRSBLPRPBV-GOSISDBHSA-N 0 3 337.416 1.808 20 10 EDCDHN COc1cc(C)cc(C[NH2+]C[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)c1[O-] ZINC000894317210 591276212 /nfs/dbraw/zinc/27/62/12/591276212.db2.gz KQQNEEZIMFUUKU-UGSOOPFHSA-N 0 3 347.415 1.519 20 10 EDCDHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1cc2cc(O)c(O)cc2s1 ZINC000895989342 591319263 /nfs/dbraw/zinc/31/92/63/591319263.db2.gz ADNJRFXLTUIECM-NWDGAFQWSA-N 0 3 348.424 1.906 20 10 EDCDHN C[C@@H]1C[C@@H](NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C(=O)O1 ZINC000896382912 591445192 /nfs/dbraw/zinc/44/51/92/591445192.db2.gz RFAAZLONOQNKBP-DAXOMENPSA-N 0 3 348.447 1.359 20 10 EDCDHN COc1ccc(C[NH2+]C[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)c([O-])c1OC ZINC000895204901 591656386 /nfs/dbraw/zinc/65/63/86/591656386.db2.gz JXNSQQPQLBSTSB-MCIONIFRSA-N 0 3 338.448 1.997 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)NC2CC(CCO)C2)N(C)C)cc1 ZINC000899096879 591677300 /nfs/dbraw/zinc/67/73/00/591677300.db2.gz WIUYZJKAMOWFKF-JFUPDXTOSA-N 0 3 348.491 1.816 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)N2CCC[C@@H](CO)C2)N(C)C)cc1 ZINC000899102237 591682353 /nfs/dbraw/zinc/68/23/53/591682353.db2.gz OOYMPOUXBGIXID-QAPCUYQASA-N 0 3 348.491 1.769 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)N2CC=C[C@@H]2CO)N(C)C)cc1 ZINC000899098520 591688126 /nfs/dbraw/zinc/68/81/26/591688126.db2.gz PFICVWFTMSQWBH-SJORKVTESA-N 0 3 332.448 1.298 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)N2CCC(C)(O)CC2)N(C)C)cc1 ZINC000899101044 591689932 /nfs/dbraw/zinc/68/99/32/591689932.db2.gz HGTARZHAAUJVRM-QGZVFWFLSA-N 0 3 348.491 1.912 20 10 EDCDHN C[C@@H]1CN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CC[C@H]1O ZINC000899100899 591690190 /nfs/dbraw/zinc/69/01/90/591690190.db2.gz CPVUXHSSKMBQRR-FHLIZLRMSA-N 0 3 348.491 1.768 20 10 EDCDHN CCOC(=O)[C@@H]1CN(Cc2cc(OC)c(C)cc2O)CC12COC2 ZINC000840100177 593180072 /nfs/dbraw/zinc/18/00/72/593180072.db2.gz LPWSGXPGUCYAJI-AWEZNQCLSA-N 0 3 335.400 1.721 20 10 EDCDHN C[C@@H](NCCN1C(=O)N[C@@H](C)C1=O)c1ccc(N2CCOCC2)cc1 ZINC000838914726 593231758 /nfs/dbraw/zinc/23/17/58/593231758.db2.gz QGQJKZUNTXVZCS-KGLIPLIRSA-N 0 3 346.431 1.114 20 10 EDCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CC(=O)N2CCN(C)CC2)c1[O-] ZINC000808686996 593280986 /nfs/dbraw/zinc/28/09/86/593280986.db2.gz XYXPMLAZENJXPV-GFCCVEGCSA-N 0 3 325.840 1.779 20 10 EDCDHN COC1CCN(c2ccc(CN3CCN(CCO)[C@@H](C)C3)cc2)CC1 ZINC000828987402 594543884 /nfs/dbraw/zinc/54/38/84/594543884.db2.gz CMUFAWVPQMRGLX-KRWDZBQOSA-N 0 3 347.503 1.800 20 10 EDCDHN O=C(NCc1ccc(N2CCN(CC3CC3)CC2)cc1)[C@@H](O)C1CC1 ZINC000831560798 594683339 /nfs/dbraw/zinc/68/33/39/594683339.db2.gz FNPSXQSAMKUCLE-IBGZPJMESA-N 0 3 343.471 1.606 20 10 EDCDHN COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CNCCC2(F)F)c1 ZINC000842003662 594999791 /nfs/dbraw/zinc/99/97/91/594999791.db2.gz ODLLYNHBTWCSGO-ZANVPECISA-N 0 3 329.347 1.758 20 10 EDCDHN NC[C@H]1CCCCN1C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000842170530 595028302 /nfs/dbraw/zinc/02/83/02/595028302.db2.gz HWMQBPRUCQPVNH-QGZVFWFLSA-N 0 3 342.443 1.019 20 10 EDCDHN COC(=O)c1ccc(C(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)cn1 ZINC000843299136 595066442 /nfs/dbraw/zinc/06/64/42/595066442.db2.gz SMLSBHCKQJPRIN-OAHLLOKOSA-N 0 3 342.399 1.364 20 10 EDCDHN C[C@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C1)c1cc2c(cc1[O-])CCCC2 ZINC000846186916 595168026 /nfs/dbraw/zinc/16/80/26/595168026.db2.gz HLTMVPVBQKAKEE-SWLSCSKDSA-N 0 3 338.473 1.956 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNS(=O)(=O)CC[C@@H]2CCCO2)cc1 ZINC000842784199 595197664 /nfs/dbraw/zinc/19/76/64/595197664.db2.gz CJXSLYWECRRYOQ-HOTGVXAUSA-N 0 3 341.477 1.241 20 10 EDCDHN C[C@H]1CCCCN1S(=O)(=O)NC[C@H](N)c1ccc(N(C)C)cc1 ZINC000842784096 595197694 /nfs/dbraw/zinc/19/76/94/595197694.db2.gz GMAWUZJVTKZWQX-BBRMVZONSA-N 0 3 340.493 1.461 20 10 EDCDHN C[C@@H]1C[C@@H](S(=O)(=O)NC[C@H](N)c2ccc(N(C)C)cc2)CCO1 ZINC000842785490 595197863 /nfs/dbraw/zinc/19/78/63/595197863.db2.gz NXFKSOULLOYZHS-KCXAZCMYSA-N 0 3 341.477 1.239 20 10 EDCDHN CO[C@@H](CS(=O)(=O)NC[C@@H](N)c1ccc(N(C)C)cc1)C(C)C ZINC000842786356 595198254 /nfs/dbraw/zinc/19/82/54/595198254.db2.gz YUMIEEWOYUEFGI-CVEARBPZSA-N 0 3 343.493 1.343 20 10 EDCDHN CN(C)c1ccc(/C=C\CNC[C@H]2CCCN2S(C)(=O)=O)cc1 ZINC000835042422 595252666 /nfs/dbraw/zinc/25/26/66/595252666.db2.gz VHKKRKMLLXBNKM-XQDHMALISA-N 0 3 337.489 1.779 20 10 EDCDHN CCOc1cccc(CN2CCC[C@@H](N3CCNCC3=O)C2)c1O ZINC000843066425 595279173 /nfs/dbraw/zinc/27/91/73/595279173.db2.gz XAMYQNLTVDXAQB-OAHLLOKOSA-N 0 3 333.432 1.187 20 10 EDCDHN CC(C)(C)[C@H](N)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000844176370 595292962 /nfs/dbraw/zinc/29/29/62/595292962.db2.gz ROUYOWSFNFLUCH-GOEBONIOSA-N 0 3 346.475 1.378 20 10 EDCDHN COc1ccc(N(C)CCN(C)CCN2C(=O)NC(C)(C)C2=O)cc1 ZINC000844400053 595337635 /nfs/dbraw/zinc/33/76/35/595337635.db2.gz UGNDDHALOJZOJS-UHFFFAOYSA-N 0 3 348.447 1.394 20 10 EDCDHN COc1cc(Br)cc(C[NH2+]C[C@](C)(CO)OC)c1[O-] ZINC000848560357 595405574 /nfs/dbraw/zinc/40/55/74/595405574.db2.gz LURLRVUDKQNFKA-CYBMUJFWSA-N 0 3 334.210 1.650 20 10 EDCDHN COc1ccc(N(C)CCN(C)C(=O)NC[C@H]2CCCN2C)cc1 ZINC000844923387 595415224 /nfs/dbraw/zinc/41/52/24/595415224.db2.gz FVQYJOLGGZBUFO-MRXNPFEDSA-N 0 3 334.464 1.867 20 10 EDCDHN CN(C)c1cc(F)c(CNCCN2C[C@H]3CC[C@@H](C2)O3)cc1F ZINC000858172311 595719407 /nfs/dbraw/zinc/71/94/07/595719407.db2.gz QJCFZRUZCWUDDG-OKILXGFUSA-N 0 3 325.403 1.984 20 10 EDCDHN C[NH+](C)CCC[C@H]1CN(Cc2cc3c(cc2[O-])OC[C@H]3O)CCO1 ZINC000853625651 595838129 /nfs/dbraw/zinc/83/81/29/595838129.db2.gz UTBPGSZBPOKYGV-WMLDXEAASA-N 0 3 336.432 1.361 20 10 EDCDHN COc1ccc(N2CCN(C(=O)CN[C@H](CO)C3CCC3)CC2)cc1 ZINC000852321236 596125057 /nfs/dbraw/zinc/12/50/57/596125057.db2.gz SHPGUERADJIDHN-GOSISDBHSA-N 0 3 347.459 1.094 20 10 EDCDHN COc1ccc(N2CC[C@@H](NS(=O)(=O)CCCN(C)C)C2)cc1 ZINC000867497095 596398022 /nfs/dbraw/zinc/39/80/22/596398022.db2.gz MQSWVRJCBXYNGW-CQSZACIVSA-N 0 3 341.477 1.145 20 10 EDCDHN C[C@@H](NC(=O)N[C@@H](C)CCN1CCN(C)CC1)c1ccccc1O ZINC000868509160 596866054 /nfs/dbraw/zinc/86/60/54/596866054.db2.gz BFDJSRUACKSTRD-LSDHHAIUSA-N 0 3 334.464 1.778 20 10 EDCDHN Cn1ncnc1CN[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000877033636 597418040 /nfs/dbraw/zinc/41/80/40/597418040.db2.gz JAFONBWGPXTNPX-CQSZACIVSA-N 0 3 335.839 1.928 20 10 EDCDHN C[C@H](O)CN1CCN(Cc2ccc(N3CCC(O)CC3)cc2)[C@H](C)C1 ZINC000877489587 597524365 /nfs/dbraw/zinc/52/43/65/597524365.db2.gz VPZZFBGUSJHEEO-SJORKVTESA-N 0 3 347.503 1.535 20 10 EDCDHN CNS(=O)(=O)c1ccc(CC[NH2+]Cc2ccc(C)cc2[O-])cc1 ZINC000877734992 597551983 /nfs/dbraw/zinc/55/19/83/597551983.db2.gz MJCZOKWNUDJFMT-UHFFFAOYSA-N 0 3 334.441 1.941 20 10 EDCDHN C[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)NCC(F)(F)F)c1ccccc1[O-] ZINC000879648439 597673767 /nfs/dbraw/zinc/67/37/67/597673767.db2.gz PCEMGMVSLZMONC-BDAKNGLRSA-N 0 3 333.310 1.819 20 10 EDCDHN C[C@@H]([NH2+]C[C@@H](O)CN1C(=O)c2ccccc2C1=O)c1ccccc1[O-] ZINC000879649501 597673993 /nfs/dbraw/zinc/67/39/93/597673993.db2.gz VFSJTTKRTSNGNL-CHWSQXEVSA-N 0 3 340.379 1.700 20 10 EDCDHN CCOC(=O)N1CCC(NC(=O)C[NH2+][C@H](C)c2ccccc2[O-])CC1 ZINC000879649050 597674059 /nfs/dbraw/zinc/67/40/59/597674059.db2.gz KMEWDXZQCJVNHN-CYBMUJFWSA-N 0 3 349.431 1.780 20 10 EDCDHN COc1cccc(C[NH2+]C[C@]2(N3CCOCC3)CCCOC2)c1[O-] ZINC000378147564 250297758 /nfs/dbraw/zinc/29/77/58/250297758.db2.gz GCMNKHXNLDNSLE-GOSISDBHSA-N 0 3 336.432 1.372 20 10 EDCDHN CCCn1nc2c(cc1=O)CN(Cc1cccc(OC)c1O)CC2 ZINC000378333397 447418454 /nfs/dbraw/zinc/41/84/54/447418454.db2.gz LSRMSIUVNRBWEF-UHFFFAOYSA-N 0 3 329.400 1.926 20 10 EDCDHN COc1ccc(N2CCCN(CCN3CCO[C@@H](C)C3)CC2)cc1 ZINC000192724064 442680354 /nfs/dbraw/zinc/68/03/54/442680354.db2.gz VVEHXXVSLTZBDB-KRWDZBQOSA-N 0 3 333.476 1.928 20 10 EDCDHN COc1ccc(N2CCN(C(=O)CN3CC[C@@H]([C@@H](C)O)C3)CC2)cc1 ZINC000183162445 442893417 /nfs/dbraw/zinc/89/34/17/442893417.db2.gz BNRQRNUKIGCKCM-HZPDHXFCSA-N 0 3 347.459 1.047 20 10 EDCDHN Cc1ccc(O)c(CN[C@@H]2CCCN(c3nccn(C)c3=O)C2)c1 ZINC000275700501 443638561 /nfs/dbraw/zinc/63/85/61/443638561.db2.gz XOJSEMGQHQITSV-OAHLLOKOSA-N 0 3 328.416 1.553 20 10 EDCDHN Cc1ccc([O-])c(C[NH2+][C@@H]2CCCN(c3nccn(C)c3=O)C2)c1 ZINC000275700501 443638566 /nfs/dbraw/zinc/63/85/66/443638566.db2.gz XOJSEMGQHQITSV-OAHLLOKOSA-N 0 3 328.416 1.553 20 10 EDCDHN COc1ccc(N2CCN(CCN[C@@H](C)c3cn[nH]c3)CC2)cc1 ZINC000284279351 443771677 /nfs/dbraw/zinc/77/16/77/443771677.db2.gz XHGIDXCMKDXNST-HNNXBMFYSA-N 0 3 329.448 1.891 20 10 EDCDHN CCCN(Cc1ccccc1O)C(=O)C(=O)N1C[C@@H](C)[C@H](N(C)C)C1 ZINC000298635305 443824247 /nfs/dbraw/zinc/82/42/47/443824247.db2.gz KHKFWVMMKMNTFC-GDBMZVCRSA-N 0 3 347.459 1.539 20 10 EDCDHN CN(C)c1ccc(CNC(=O)CN[C@@]2(C)CCO[C@H]2C2CC2)cc1 ZINC000298949548 443910782 /nfs/dbraw/zinc/91/07/82/443910782.db2.gz OMHMGSALZYIJRS-OALUTQOASA-N 0 3 331.460 1.916 20 10 EDCDHN COc1cccc(CN2CCC[C@H](CN(C)S(C)(=O)=O)C2)c1O ZINC000289321874 444107247 /nfs/dbraw/zinc/10/72/47/444107247.db2.gz FUYNYCBFHQSMDF-CYBMUJFWSA-N 0 3 342.461 1.504 20 10 EDCDHN Cc1cc(Br)cc(CN2CCC[C@](O)(C(N)=O)C2)c1O ZINC000375520208 446868634 /nfs/dbraw/zinc/86/86/34/446868634.db2.gz SNTDIEYTLYVAPZ-CQSZACIVSA-N 0 3 343.221 1.275 20 10 EDCDHN COc1ccc(N2CCN(CCCNCc3cncn3C)CC2)cc1 ZINC000237273250 536696895 /nfs/dbraw/zinc/69/68/95/536696895.db2.gz XGJZRORFEKYUBM-UHFFFAOYSA-N 0 3 343.475 1.731 20 10 EDCDHN COCCCN(C)CCNC(=O)NCc1ccc(N(C)C)cc1C ZINC000743642266 579486779 /nfs/dbraw/zinc/48/67/79/579486779.db2.gz QSKRQJMPPNQYNO-UHFFFAOYSA-N 0 3 336.480 1.829 20 10 EDCDHN COc1cc(Br)cc(C[NH2+][C@H]2CC(=O)N(C)C2)c1[O-] ZINC000726797646 578361807 /nfs/dbraw/zinc/36/18/07/578361807.db2.gz NUWJSZGWLQBHGH-JTQLQIEISA-N 0 3 329.194 1.484 20 10 EDCDHN CCCN(C)CC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000730277822 578638618 /nfs/dbraw/zinc/63/86/18/578638618.db2.gz CTBIFISVIGFRLE-UHFFFAOYSA-N 0 3 333.476 1.853 20 10 EDCDHN CN(Cc1ccccc1O)C(=O)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000735849492 578928721 /nfs/dbraw/zinc/92/87/21/578928721.db2.gz JXYAQVMYODPHSJ-FQEVSTJZSA-N 0 3 340.423 1.988 20 10 EDCDHN COCCNCC(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC000753547297 579882600 /nfs/dbraw/zinc/88/26/00/579882600.db2.gz KBUGTLMBLRXHNO-SFHVURJKSA-N 0 3 349.475 1.496 20 10 EDCDHN COc1ccc(N2CCC(NCc3ccc(C(N)=O)nc3)CC2)cc1 ZINC000766530952 580169122 /nfs/dbraw/zinc/16/91/22/580169122.db2.gz KLUDWLIOFQEQKT-UHFFFAOYSA-N 0 3 340.427 1.948 20 10 EDCDHN COC(=O)C[C@]1([NH2+]Cc2cc(Cl)cc(OC)c2[O-])CCOC1 ZINC000768534684 580215686 /nfs/dbraw/zinc/21/56/86/580215686.db2.gz OIDCRBUHTJDGGA-OAHLLOKOSA-N 0 3 329.780 1.866 20 10 EDCDHN CCOc1ccc(C[N@@H+]2CCC[C@H](CS(N)(=O)=O)C2)c([O-])c1 ZINC000769385128 580235334 /nfs/dbraw/zinc/23/53/34/580235334.db2.gz SXIIQQHTNCFHKE-LBPRGKRZSA-N 0 3 328.434 1.291 20 10 EDCDHN CCOc1ccc(C[N@H+]2CCC[C@H](CS(N)(=O)=O)C2)c([O-])c1 ZINC000769385128 580235335 /nfs/dbraw/zinc/23/53/35/580235335.db2.gz SXIIQQHTNCFHKE-LBPRGKRZSA-N 0 3 328.434 1.291 20 10 EDCDHN COc1cccc(O)c1CN1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000769530991 580239268 /nfs/dbraw/zinc/23/92/68/580239268.db2.gz CPQYXRUNKZVTSZ-HNNXBMFYSA-N 0 3 333.432 1.139 20 10 EDCDHN COc1cccc([O-])c1C[N@H+](C)C1CCN(S(C)(=O)=O)CC1 ZINC000770323051 580258119 /nfs/dbraw/zinc/25/81/19/580258119.db2.gz CXJJZMBHSIBXQX-UHFFFAOYSA-N 0 3 328.434 1.257 20 10 EDCDHN COc1cccc([O-])c1C[N@@H+](C)C1CCN(S(C)(=O)=O)CC1 ZINC000770323051 580258120 /nfs/dbraw/zinc/25/81/20/580258120.db2.gz CXJJZMBHSIBXQX-UHFFFAOYSA-N 0 3 328.434 1.257 20 10 EDCDHN CC[C@H]([NH2+]CCNS(=O)(=O)Cc1ccon1)c1ccccc1[O-] ZINC000775512977 580392633 /nfs/dbraw/zinc/39/26/33/580392633.db2.gz VDGLTZYCECDFQN-AWEZNQCLSA-N 0 3 339.417 1.541 20 10 EDCDHN COCCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000776867701 580430276 /nfs/dbraw/zinc/43/02/76/580430276.db2.gz DZPUZZNFJFGSMZ-YLQAJVPDSA-N 0 3 325.405 1.872 20 10 EDCDHN C[C@@H](NCc1ccc(N2CCN(C)CC2)cc1)c1nnnn1C1CC1 ZINC000791008173 580782875 /nfs/dbraw/zinc/78/28/75/580782875.db2.gz CZAJIKPTEKPCJD-CQSZACIVSA-N 0 3 341.463 1.611 20 10 EDCDHN O[C@@]1(Cn2ccnn2)CCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000794154471 580878047 /nfs/dbraw/zinc/87/80/47/580878047.db2.gz BPXRLFXWTPMMFH-IBGZPJMESA-N 0 3 341.459 1.905 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)c2cnn3c2CCC3)N(C)C)cc1 ZINC000891250578 591018897 /nfs/dbraw/zinc/01/88/97/591018897.db2.gz XMNOQDDLOLYXOV-SFHVURJKSA-N 0 3 341.459 1.928 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)/C=C\c2cnn(C)c2)N(C)C)cc1 ZINC000891256684 591022377 /nfs/dbraw/zinc/02/23/77/591022377.db2.gz ZUIMBOYNWDHOEX-SNMSSPIJSA-N 0 3 341.459 1.918 20 10 EDCDHN CCN1CC[C@H]2OCCN(Cc3ccc(OC)c(OC)c3O)[C@H]2C1 ZINC000894615413 591367152 /nfs/dbraw/zinc/36/71/52/591367152.db2.gz JVVUOLSYBBLYTH-LSDHHAIUSA-N 0 3 336.432 1.704 20 10 EDCDHN CN(C)c1ccc([C@@H](CNc2ccnc(C(N)=O)c2)N(C)C)cc1 ZINC000897525270 591528409 /nfs/dbraw/zinc/52/84/09/591528409.db2.gz LYVNMXXAAWYUHN-QGZVFWFLSA-N 0 3 327.432 1.383 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)NCCCCCO)N(C)C)cc1 ZINC000899101889 591681804 /nfs/dbraw/zinc/68/18/04/591681804.db2.gz JBGUHGMNQSRMKJ-KRWDZBQOSA-N 0 3 336.480 1.817 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)NC[C@@](C)(O)C2CC2)N(C)C)cc1 ZINC000899101633 591682878 /nfs/dbraw/zinc/68/28/78/591682878.db2.gz KEMRPNZAGAMHED-IEBWSBKVSA-N 0 3 348.491 1.816 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)NCC(C)(C)CO)N(C)C)cc1 ZINC000899104152 591684365 /nfs/dbraw/zinc/68/43/65/591684365.db2.gz PYUWNQNZZLRBRV-MRXNPFEDSA-N 0 3 336.480 1.673 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)NC(CF)CF)N(C)C)cc1 ZINC000899098832 591688028 /nfs/dbraw/zinc/68/80/28/591688028.db2.gz SSNPJRIXJLJOJM-OAHLLOKOSA-N 0 3 328.407 1.962 20 10 EDCDHN CCOc1ccc([O-])c(C[NH+]2CCC3(CC2)C[C@@H](O)CNC3=O)c1 ZINC000897041364 591722394 /nfs/dbraw/zinc/72/23/94/591722394.db2.gz LNXZTMDGINBWEH-CQSZACIVSA-N 0 3 334.416 1.254 20 10 EDCDHN Cc1cc(N(C)C)ccc1CN1CCC2(CC1)C[C@H](O)CNC2=O ZINC000897042803 591723003 /nfs/dbraw/zinc/72/30/03/591723003.db2.gz QSAYESUNFWDJSR-KRWDZBQOSA-N 0 3 331.460 1.524 20 10 EDCDHN COc1cc([O-])c(C[NH2+]C[C@H]2CCN2C2CCOCC2)cc1OC ZINC000897229549 591779883 /nfs/dbraw/zinc/77/98/83/591779883.db2.gz UXAMGUZWHCRHCH-OAHLLOKOSA-N 0 3 336.432 1.752 20 10 EDCDHN CN1CCN(c2ccc(CNCc3cn4cccnc4n3)cc2)CC1 ZINC000895606888 591820627 /nfs/dbraw/zinc/82/06/27/591820627.db2.gz HJSSDTMRIAEEGA-UHFFFAOYSA-N 0 3 336.443 1.771 20 10 EDCDHN COC[C@@H](C)NC(=S)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899723600 591920847 /nfs/dbraw/zinc/92/08/47/591920847.db2.gz BOJTZKHCDOZHBW-CZUORRHYSA-N 0 3 338.521 1.854 20 10 EDCDHN Cc1cc(C(=O)NCCN(C)CCO)c(C)n1-c1ccc(F)cc1 ZINC000899730487 591924367 /nfs/dbraw/zinc/92/43/67/591924367.db2.gz ZLYZBOIMVSIFFU-UHFFFAOYSA-N 0 3 333.407 1.887 20 10 EDCDHN CN(C)c1ccc(CN(C)C(=O)C(=O)N2CC[C@@H]3CC[C@]32CN)cc1 ZINC000904997862 592361498 /nfs/dbraw/zinc/36/14/98/592361498.db2.gz AJIGQUDEKUPSSL-KXBFYZLASA-N 0 3 344.459 1.051 20 10 EDCDHN CC1CCN(c2ccc(CNC[C@@H](O)C[C@@]3(O)CCOC3)cc2)CC1 ZINC000905103558 592406866 /nfs/dbraw/zinc/40/68/66/592406866.db2.gz YFBQDTIYJFZDKH-PMACEKPBSA-N 0 3 348.487 1.915 20 10 EDCDHN COc1ncc(/C=C\C(=O)NC[C@H](N)c2ccc(N(C)C)cc2)cn1 ZINC000911665221 592973549 /nfs/dbraw/zinc/97/35/49/592973549.db2.gz BIDFGUNNZSOTBT-SGNXQUTQSA-N 0 3 341.415 1.381 20 10 EDCDHN NC(=O)[C@@]1(c2ccccc2)CC[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000840176675 593339030 /nfs/dbraw/zinc/33/90/30/593339030.db2.gz HJCBTSSKILIDND-IBGZPJMESA-N 0 3 340.379 1.750 20 10 EDCDHN NC(=O)[C@@]1(c2ccccc2)CC[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000840176675 593339033 /nfs/dbraw/zinc/33/90/33/593339033.db2.gz HJCBTSSKILIDND-IBGZPJMESA-N 0 3 340.379 1.750 20 10 EDCDHN CNC(=O)[C@@H]1CC[N@H+](Cc2c([O-])c(C(=O)OC)cc3ccccc32)C1 ZINC000817369480 593596590 /nfs/dbraw/zinc/59/65/90/593596590.db2.gz AVDXFULKNRAKCC-CYBMUJFWSA-N 0 3 342.395 1.900 20 10 EDCDHN CNC(=O)[C@@H]1CC[N@@H+](Cc2c([O-])c(C(=O)OC)cc3ccccc32)C1 ZINC000817369480 593596591 /nfs/dbraw/zinc/59/65/91/593596591.db2.gz AVDXFULKNRAKCC-CYBMUJFWSA-N 0 3 342.395 1.900 20 10 EDCDHN COC(=O)CC[C@H](N)C(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000828353232 594399046 /nfs/dbraw/zinc/39/90/46/594399046.db2.gz LEKCDDRXSCNHHA-INIZCTEOSA-N 0 3 349.431 1.061 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNC(=O)c2ccc3c(c2)nnn3C)cc1 ZINC000832272667 594739538 /nfs/dbraw/zinc/73/95/38/594739538.db2.gz INSBPJDXOLPIKY-OAHLLOKOSA-N 0 3 338.415 1.464 20 10 EDCDHN COc1ccc(OCC(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)cc1 ZINC000832293180 594740763 /nfs/dbraw/zinc/74/07/63/594740763.db2.gz QYOWAKAQRNNVNI-GOSISDBHSA-N 0 3 343.427 1.956 20 10 EDCDHN Cc1nn(C)c(C)c1CCC(=O)NC[C@@H](N)c1ccc(N(C)C)cc1 ZINC000832293647 594740844 /nfs/dbraw/zinc/74/08/44/594740844.db2.gz ZNHRSSAUXZQJRO-GOSISDBHSA-N 0 3 343.475 1.852 20 10 EDCDHN Cc1cc(N(C)C)ccc1CN[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000840934459 594829878 /nfs/dbraw/zinc/82/98/78/594829878.db2.gz RBEYVPVZJKQTHY-QGZVFWFLSA-N 0 3 327.432 1.690 20 10 EDCDHN CN(C)[C@H](CNC(=O)C(=O)Nc1ccc(N)cc1)Cc1ccccc1 ZINC000841001951 594837611 /nfs/dbraw/zinc/83/76/11/594837611.db2.gz XOZXXZUOBKUNGI-KRWDZBQOSA-N 0 3 340.427 1.496 20 10 EDCDHN CN(C)CCN(Cc1ccco1)C(=O)C(=O)Nc1ccc(N)cc1 ZINC000841064291 594846598 /nfs/dbraw/zinc/84/65/98/594846598.db2.gz YGNDMQKRVCYBPM-UHFFFAOYSA-N 0 3 330.388 1.391 20 10 EDCDHN C[C@H](NC(=O)C(=O)N1CCC[C@@H](C)[C@H]1CN)c1ccc(N(C)C)cc1 ZINC000842202166 595036582 /nfs/dbraw/zinc/03/65/82/595036582.db2.gz DVJKFDDNINMLJM-JKIFEVAISA-N 0 3 346.475 1.516 20 10 EDCDHN COC(=O)c1ccc(C(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)nc1 ZINC000843298890 595066675 /nfs/dbraw/zinc/06/66/75/595066675.db2.gz RBOFQSLAILUGOE-OAHLLOKOSA-N 0 3 342.399 1.364 20 10 EDCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@H](Nc3ncccn3)C1)[C@@H](O)CO2 ZINC000842617786 595143804 /nfs/dbraw/zinc/14/38/04/595143804.db2.gz WGUZXSRCLNTAKN-WFASDCNBSA-N 0 3 328.372 1.294 20 10 EDCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@H](Nc3ncccn3)C1)[C@@H](O)CO2 ZINC000842617786 595143808 /nfs/dbraw/zinc/14/38/08/595143808.db2.gz WGUZXSRCLNTAKN-WFASDCNBSA-N 0 3 328.372 1.294 20 10 EDCDHN CN(C)C(=O)[C@@H]1CC[C@@H](CNC/C=C\c2ccc(N(C)C)cc2)O1 ZINC000835043740 595252195 /nfs/dbraw/zinc/25/21/95/595252195.db2.gz YLVRPBILUJBGBI-SLXDBMQSSA-N 0 3 331.460 1.991 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)c2ccc(N(C)C)nc2)cc1 ZINC000844163307 595287905 /nfs/dbraw/zinc/28/79/05/595287905.db2.gz YJUYETNOHWLZKC-INIZCTEOSA-N 0 3 327.432 1.643 20 10 EDCDHN CC1(C)CN[C@H]1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000844174353 595291988 /nfs/dbraw/zinc/29/19/88/595291988.db2.gz XMVCCSHPGRJAKM-KRWDZBQOSA-N 0 3 331.460 1.510 20 10 EDCDHN NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CCCCN3)cc2)C1 ZINC000844175819 595292642 /nfs/dbraw/zinc/29/26/42/595292642.db2.gz JWTKITFLYFSVFE-WBVHZDCISA-N 0 3 344.459 1.147 20 10 EDCDHN CN(C)c1ccc(CNC(=O)CN2CCNCc3ccccc32)cc1 ZINC000844220596 595306041 /nfs/dbraw/zinc/30/60/41/595306041.db2.gz YQRXIFHUUJQDNN-UHFFFAOYSA-N 0 3 338.455 1.979 20 10 EDCDHN CCc1cccc(CN[C@H]2CCCN(c3ccn(C)n3)C2=O)c1O ZINC000848897436 595464464 /nfs/dbraw/zinc/46/44/64/595464464.db2.gz IVSQDCZJDZHMRT-HNNXBMFYSA-N 0 3 328.416 1.973 20 10 EDCDHN COC(=O)CCNC(=O)CC[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000858541068 595822856 /nfs/dbraw/zinc/82/28/56/595822856.db2.gz GFAPMCCJPHOKRJ-JQWIXIFHSA-N 0 3 338.379 1.739 20 10 EDCDHN Cc1cc(N(C)C)ccc1CNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000851656223 595870430 /nfs/dbraw/zinc/87/04/30/595870430.db2.gz GNZGDPXQJDWORW-UHFFFAOYSA-N 0 3 344.419 1.015 20 10 EDCDHN O=C(NCc1ccc(N2CCC(O)CC2)cc1)[C@@H]1CCCN1C1CC1 ZINC000856213330 595927415 /nfs/dbraw/zinc/92/74/15/595927415.db2.gz HYMYNVROUHTOAE-IBGZPJMESA-N 0 3 343.471 1.891 20 10 EDCDHN CCN(C)c1ccc(CN2CCC(n3cc(C(N)=O)nn3)CC2)cc1 ZINC000859593212 596141017 /nfs/dbraw/zinc/14/10/17/596141017.db2.gz CAUVVTCWSPWQMF-UHFFFAOYSA-N 0 3 342.447 1.670 20 10 EDCDHN CCc1cccc(C[NH2+]C[C@]2(CO)COCC3(CCC3)N2C)c1[O-] ZINC000862463945 596333411 /nfs/dbraw/zinc/33/34/11/596333411.db2.gz PEYJJHUMRMYWSD-IBGZPJMESA-N 0 3 334.460 1.660 20 10 EDCDHN Cc1cc(N(C)C)ccc1CNC[C@]1(CO)COCC2(CCC2)N1C ZINC000862463931 596333932 /nfs/dbraw/zinc/33/39/32/596333932.db2.gz OYGLMEBCPADJJB-FQEVSTJZSA-N 0 3 347.503 1.766 20 10 EDCDHN CCO[C@H](C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1)C1CCOCC1 ZINC000876506455 597224623 /nfs/dbraw/zinc/22/46/23/597224623.db2.gz LDDRNBYARGDRRL-MSOLQXFVSA-N 0 3 349.475 1.700 20 10 EDCDHN OC1CCN(c2ccc(CN3CC[C@H](n4cncn4)C3)cc2)CC1 ZINC000877424138 597513164 /nfs/dbraw/zinc/51/31/64/597513164.db2.gz GXKGDTSWGHPAAQ-KRWDZBQOSA-N 0 3 327.432 1.686 20 10 EDCDHN C[C@@H]([NH2+]CC(=O)NC[C@@H]1COc2ccccc2O1)c1ccccc1[O-] ZINC000879647352 597674048 /nfs/dbraw/zinc/67/40/48/597674048.db2.gz BHUNJLJXDDDDFI-ZIAGYGMSSA-N 0 3 342.395 1.999 20 10 EDCDHN Cn1cc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)c(=O)n(C)c1=O ZINC000093319318 704079783 /nfs/dbraw/zinc/07/97/83/704079783.db2.gz KIDBRMQAAXGQRJ-UHFFFAOYSA-N 0 3 343.427 1.734 20 10 EDCDHN Cn1cc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)c(=O)n(C)c1=O ZINC000093319318 704079784 /nfs/dbraw/zinc/07/97/84/704079784.db2.gz KIDBRMQAAXGQRJ-UHFFFAOYSA-N 0 3 343.427 1.734 20 10 EDCDHN C[C@H](O)CN1CC[C@H](N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001033700328 708526210 /nfs/dbraw/zinc/52/62/10/708526210.db2.gz XLERXORZHBUFJD-FZMZJTMJSA-N 0 3 333.392 1.376 20 10 EDCDHN CCOc1cccc(CN2CCCN(CC(=O)N(C)C)CC2)c1O ZINC000129374222 237201540 /nfs/dbraw/zinc/20/15/40/237201540.db2.gz KSHCEGQPPXZTHG-UHFFFAOYSA-N 0 3 335.448 1.387 20 10 EDCDHN CCN1CCN(c2ccc(CNC(=O)[C@@H]3CCCCN3)cc2F)CC1 ZINC000236999777 249302053 /nfs/dbraw/zinc/30/20/53/249302053.db2.gz KDZCVHGVHATEHT-KRWDZBQOSA-N 0 3 348.466 1.726 20 10 EDCDHN COC[C@@H](CCO)N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000269005001 249377067 /nfs/dbraw/zinc/37/70/67/249377067.db2.gz KYFSGGHBAQYMPR-DZGCQCFKSA-N 0 3 326.412 1.710 20 10 EDCDHN Cc1cc(O)c(CN2CCN(C[C@H]3CN(C)CCO3)C[C@H]2C)cc1C ZINC000372417486 250218363 /nfs/dbraw/zinc/21/83/63/250218363.db2.gz WOJAKKSUOVHCIE-IEBWSBKVSA-N 0 3 347.503 1.846 20 10 EDCDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)NCc1ccc2c(c1)CCN2C ZINC000372489780 250221512 /nfs/dbraw/zinc/22/15/12/250221512.db2.gz HYLCIZQBWUSXRW-GUYCJALGSA-N 0 3 328.460 1.961 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@]3(CCOC3)C1)cc2=O ZINC000370376993 250205233 /nfs/dbraw/zinc/20/52/33/250205233.db2.gz KFULMZVNJLGNIT-KRWDZBQOSA-N 0 3 346.387 1.224 20 10 EDCDHN COc1ccc(N2CCCN(C(=O)[C@H](N)C3CCOCC3)CC2)cc1 ZINC000374513097 250267732 /nfs/dbraw/zinc/26/77/32/250267732.db2.gz JDGMWSSNCXWCHM-GOSISDBHSA-N 0 3 347.459 1.488 20 10 EDCDHN COc1cccc(C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)c1[O-] ZINC000124498340 533477538 /nfs/dbraw/zinc/47/75/38/533477538.db2.gz JAFRMIVFLPWZMJ-OAHLLOKOSA-N 0 3 334.416 1.472 20 10 EDCDHN COc1cccc(C[N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)c1[O-] ZINC000124498340 533477547 /nfs/dbraw/zinc/47/75/47/533477547.db2.gz JAFRMIVFLPWZMJ-OAHLLOKOSA-N 0 3 334.416 1.472 20 10 EDCDHN c1ncn(C2CCN(Cc3ccc(N4CCOCC4)cc3)CC2)n1 ZINC000092647821 441816909 /nfs/dbraw/zinc/81/69/09/441816909.db2.gz SMTDSVVRUYKUAM-UHFFFAOYSA-N 0 3 327.432 1.952 20 10 EDCDHN CCOC(=O)CNC(=O)C1CC[NH+](Cc2cccc(C)c2[O-])CC1 ZINC000180764984 442657503 /nfs/dbraw/zinc/65/75/03/442657503.db2.gz RDUOVQSZXSDEEU-UHFFFAOYSA-N 0 3 334.416 1.592 20 10 EDCDHN COc1ccc(N2CCN(CCNC(=O)/C=C/CN(C)C)CC2)cc1 ZINC000265636036 442855869 /nfs/dbraw/zinc/85/58/69/442855869.db2.gz KRWXHGUJGSGCCK-SNAWJCMRSA-N 0 3 346.475 1.051 20 10 EDCDHN COc1ccc(CN[C@H]2CC(=O)N(CCN3CCOCC3)C2)cc1C ZINC000265837358 442940504 /nfs/dbraw/zinc/94/05/04/442940504.db2.gz FROWXDMUMLAANX-KRWDZBQOSA-N 0 3 347.459 1.026 20 10 EDCDHN Cn1ccnc1CN1C[C@@H](F)C[C@H]1C[NH2+]Cc1cc(F)ccc1[O-] ZINC000279902044 443638236 /nfs/dbraw/zinc/63/82/36/443638236.db2.gz LOWSZTPACWDKSG-GJZGRUSLSA-N 0 3 336.386 1.967 20 10 EDCDHN Cc1cc(CN2CCC[C@@H](CNS(C)(=O)=O)C2)ccc1N(C)C ZINC000292861805 443863064 /nfs/dbraw/zinc/86/30/64/443863064.db2.gz RPNCZTQBPRBKJH-INIZCTEOSA-N 0 3 339.505 1.822 20 10 EDCDHN O=S1(=O)CC[C@@](O)(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000294683905 444135605 /nfs/dbraw/zinc/13/56/05/444135605.db2.gz BVEJTEZKTKTAIA-GOSISDBHSA-N 0 3 347.436 1.698 20 10 EDCDHN CN(C)c1ccc(CN(C)C(=O)CN[C@@H](CO)C2CCCC2)cc1 ZINC000289646459 444186049 /nfs/dbraw/zinc/18/60/49/444186049.db2.gz VFHGROYWBRSENU-SFHVURJKSA-N 0 3 333.476 1.852 20 10 EDCDHN COc1cccc(CN2CC[C@H](N(C)Cc3noc(C)n3)C2)c1O ZINC000361255103 445757508 /nfs/dbraw/zinc/75/75/08/445757508.db2.gz JMOYQWXVSRTYIM-AWEZNQCLSA-N 0 3 332.404 1.799 20 10 EDCDHN CN(C)c1ccc(CN(C)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1 ZINC000363390650 445785351 /nfs/dbraw/zinc/78/53/51/445785351.db2.gz VAGAILUFQXBHNP-ROUUACIJSA-N 0 3 346.475 1.757 20 10 EDCDHN CCOc1ccc(O)c(CN2CCO[C@@H](CN3CCN(C)CC3)C2)c1 ZINC000369452187 446122537 /nfs/dbraw/zinc/12/25/37/446122537.db2.gz NNXZDDQAJLXUAC-SFHVURJKSA-N 0 3 349.475 1.239 20 10 EDCDHN COc1cccc(C[NH2+]C[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)c1[O-] ZINC000371083964 446618116 /nfs/dbraw/zinc/61/81/16/446618116.db2.gz FJMAWXZVPNGIMT-SJKOYZFVSA-N 0 3 333.388 1.211 20 10 EDCDHN CN(C)C[C@@H]1CN(C(=O)c2ccoc2CC(N)=O)c2ccccc2O1 ZINC000367688917 446575190 /nfs/dbraw/zinc/57/51/90/446575190.db2.gz NXOGWSXUTKGWGJ-GFCCVEGCSA-N 0 3 343.383 1.277 20 10 EDCDHN C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC000375678740 446970335 /nfs/dbraw/zinc/97/03/35/446970335.db2.gz MTPLCMPZEWCRFY-VNHYZAJKSA-N 0 3 334.416 1.717 20 10 EDCDHN C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC000375678740 446970340 /nfs/dbraw/zinc/97/03/40/446970340.db2.gz MTPLCMPZEWCRFY-VNHYZAJKSA-N 0 3 334.416 1.717 20 10 EDCDHN CN1CCc2cc(CNC(=O)[C@@H]3CCCN3C3CCOCC3)ccc21 ZINC000372319154 447038887 /nfs/dbraw/zinc/03/88/87/447038887.db2.gz DOGSQSAIKSFHBV-IBGZPJMESA-N 0 3 343.471 1.939 20 10 EDCDHN COCCN1CCC(NC(=O)NCc2cc(OC)ccc2O)CC1 ZINC000734068228 578797498 /nfs/dbraw/zinc/79/74/98/578797498.db2.gz XCURMJLWGDYLMD-UHFFFAOYSA-N 0 3 337.420 1.311 20 10 EDCDHN CC(C)[NH+]1CCC(NC(=O)COC(=O)c2cc([O-])cs2)CC1 ZINC000745003081 579533726 /nfs/dbraw/zinc/53/37/26/579533726.db2.gz WDYKANOOMXHVEX-UHFFFAOYSA-N 0 3 326.418 1.600 20 10 EDCDHN CCOc1ccc(C[NH2+]C[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)c([O-])c1 ZINC000748099454 579669665 /nfs/dbraw/zinc/66/96/65/579669665.db2.gz WXTMXSJUKFOYCI-FZKQIMNGSA-N 0 3 347.415 1.601 20 10 EDCDHN COc1ccc(N2CCN(C(=O)CNC3(C4CC4)CC3)CC2)cc1 ZINC000754358853 579901867 /nfs/dbraw/zinc/90/18/67/579901867.db2.gz OBDHERXZLHAWQS-UHFFFAOYSA-N 0 3 329.444 1.876 20 10 EDCDHN Cc1cc(Br)cc(C[NH2+]C[C@]2(O)CCN(C)C2)c1[O-] ZINC000762792021 580083437 /nfs/dbraw/zinc/08/34/37/580083437.db2.gz ZELRSMLPTYKGAK-CQSZACIVSA-N 0 3 329.238 1.619 20 10 EDCDHN CC[C@H](C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)N(C)C ZINC000764970481 580132367 /nfs/dbraw/zinc/13/23/67/580132367.db2.gz OPZXBKRPXWLJDD-DOTOQJQBSA-N 0 3 346.475 1.345 20 10 EDCDHN CN1CCN(c2ccc(CN3CCO[C@@H]([C@H]4CCCO4)C3)cc2)CC1 ZINC000775736616 580399094 /nfs/dbraw/zinc/39/90/94/580399094.db2.gz CBPHXWPWRZGGAT-WOJBJXKFSA-N 0 3 345.487 1.818 20 10 EDCDHN CN(C)c1nccc(CNCc2ccc(N3CCN(C)CC3)cc2)n1 ZINC000776497221 580418557 /nfs/dbraw/zinc/41/85/57/580418557.db2.gz RPPUKOCOKWOVFA-UHFFFAOYSA-N 0 3 340.475 1.584 20 10 EDCDHN C[C@H]([NH2+][C@H]1CCCN(Cc2nccn2C)C1=O)c1ccccc1[O-] ZINC000783535334 580601021 /nfs/dbraw/zinc/60/10/21/580601021.db2.gz LVQURFXMJJBAGF-ZFWWWQNUSA-N 0 3 328.416 1.968 20 10 EDCDHN COc1cc(Br)cc(C[NH2+]C[C@@]2(O)CCO[C@@H]2C)c1[O-] ZINC000788537432 580723966 /nfs/dbraw/zinc/72/39/66/580723966.db2.gz WKCPXKMSOKQPDV-OTYXRUKQSA-N 0 3 346.221 1.793 20 10 EDCDHN CCCN(Cc1ccccc1O)C(=O)C(=O)NCCN(C)C1CC1 ZINC000793938269 580861220 /nfs/dbraw/zinc/86/12/20/580861220.db2.gz RYFRYUYITFRQTK-UHFFFAOYSA-N 0 3 333.432 1.341 20 10 EDCDHN C[C@H]([NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccccc1[O-] ZINC000806170743 590741938 /nfs/dbraw/zinc/74/19/38/590741938.db2.gz BCXKQWMROFHUJX-QWHCGFSZSA-N 0 3 327.450 1.314 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)CCc2c[nH]cn2)N(C)C)cc1 ZINC000891248355 591017557 /nfs/dbraw/zinc/01/75/57/591017557.db2.gz LBJYZGZNMXPVQV-KRWDZBQOSA-N 0 3 329.448 1.827 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)CCc2cnc[nH]2)N(C)C)cc1 ZINC000891248355 591017561 /nfs/dbraw/zinc/01/75/61/591017561.db2.gz LBJYZGZNMXPVQV-KRWDZBQOSA-N 0 3 329.448 1.827 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)CN(C)C(=O)C2CC2)N(C)C)cc1 ZINC000891254531 591021451 /nfs/dbraw/zinc/02/14/51/591021451.db2.gz ZDWZRLVOJQSVTO-QGZVFWFLSA-N 0 3 346.475 1.340 20 10 EDCDHN CCOc1ccc(CN2CCN(C(COC)COC)CC2)c(O)c1 ZINC000840953772 591022305 /nfs/dbraw/zinc/02/23/05/591022305.db2.gz AEDFGDNNBXDWJJ-UHFFFAOYSA-N 0 3 338.448 1.570 20 10 EDCDHN COc1ccc(C[NH2+]CCCCCS(C)(=O)=O)c([O-])c1OC ZINC000893686102 591045798 /nfs/dbraw/zinc/04/57/98/591045798.db2.gz WFERJZJRFYIYSQ-UHFFFAOYSA-N 0 3 331.434 1.714 20 10 EDCDHN CN(C)c1ccc(/C=C\CN[C@@H]2C(=O)NCC23CCOCC3)cc1 ZINC000895769111 591268828 /nfs/dbraw/zinc/26/88/28/591268828.db2.gz MUKAACUQCRNYPS-CWIOURORSA-N 0 3 329.444 1.651 20 10 EDCDHN O=C(NCc1cc(Br)ccc1[O-])N[C@@H]1CCC[NH2+]C1 ZINC000841941023 591347405 /nfs/dbraw/zinc/34/74/05/591347405.db2.gz JWTLVEHLPSUGMG-LLVKDONJSA-N 0 3 328.210 1.706 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)NCC[C@@H](O)C2CC2)N(C)C)cc1 ZINC000899095433 591677441 /nfs/dbraw/zinc/67/74/41/591677441.db2.gz KJVMUZHQRDGHMZ-ZWKOTPCHSA-N 0 3 348.491 1.816 20 10 EDCDHN C[C@@H]1C[C@H](NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CO1 ZINC000895525311 591788594 /nfs/dbraw/zinc/78/85/94/591788594.db2.gz SYQKPYACUAQOQZ-UKPHBRMFSA-N 0 3 334.464 1.832 20 10 EDCDHN CCOC(=O)N1C[C@H](CO)[C@H]([NH2+]Cc2cccc(OCC)c2[O-])C1 ZINC000898360016 591871526 /nfs/dbraw/zinc/87/15/26/591871526.db2.gz WTLGNWVCWZHJFM-ZIAGYGMSSA-N 0 3 338.404 1.330 20 10 EDCDHN CCN(CC)c1ccc(CN(C)C(=O)C(=O)NCC2(N)CC2)cc1 ZINC000911503137 592933044 /nfs/dbraw/zinc/93/30/44/592933044.db2.gz KYHAVZYVCGSIKX-UHFFFAOYSA-N 0 3 332.448 1.099 20 10 EDCDHN CN(C)CCn1nccc1C(=O)NCc1ccc2cccnc2c1O ZINC000911262618 592978325 /nfs/dbraw/zinc/97/83/25/592978325.db2.gz QXEMGGYYHQXTOP-UHFFFAOYSA-N 0 3 339.399 1.629 20 10 EDCDHN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000807098407 593144615 /nfs/dbraw/zinc/14/46/15/593144615.db2.gz VLRYAVJGSDTZNA-KRWDZBQOSA-N 0 3 346.475 1.230 20 10 EDCDHN C[C@H](NC(=O)C(=O)N[C@@H]1CCN(C)[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000806043281 593182638 /nfs/dbraw/zinc/18/26/38/593182638.db2.gz ZMGDLSUQZAGPIW-IJEWVQPXSA-N 0 3 346.475 1.529 20 10 EDCDHN CN(C)c1ccc([C@H](N)CN[C@@H]2CCCC[C@H]2S(C)(=O)=O)cc1 ZINC000817941881 593650752 /nfs/dbraw/zinc/65/07/52/593650752.db2.gz LMVIFDQTNGSQNR-BRWVUGGUSA-N 0 3 339.505 1.698 20 10 EDCDHN CC(C)OC[C@H](O)CNCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000819122123 593740053 /nfs/dbraw/zinc/74/00/53/593740053.db2.gz QYWXDQFCRQFFIT-MRXNPFEDSA-N 0 3 340.439 1.662 20 10 EDCDHN COCC(C)(C)N1CCN(Cc2cc(OC)c(OC)cc2O)CC1 ZINC000819895601 593774882 /nfs/dbraw/zinc/77/48/82/593774882.db2.gz PTUFROPGQHSDOO-UHFFFAOYSA-N 0 3 338.448 1.952 20 10 EDCDHN CCCS(=O)(=O)N1CCC([NH2+]Cc2cc(C)ccc2[O-])CC1 ZINC000103855624 594000032 /nfs/dbraw/zinc/00/00/32/594000032.db2.gz YWHQUADZIKOOFD-UHFFFAOYSA-N 0 3 326.462 1.994 20 10 EDCDHN COc1ccc(N2CC[C@H](CNC(=O)NC[C@H]3CCCN3C)C2)cc1 ZINC000823247769 594175495 /nfs/dbraw/zinc/17/54/95/594175495.db2.gz KCHOABHKBGOZNJ-NVXWUHKLSA-N 0 3 346.475 1.915 20 10 EDCDHN CCC(=O)N1CCCC[C@H]1C(=O)NC[C@H](N)c1ccc(N(C)C)cc1 ZINC000832272646 594739448 /nfs/dbraw/zinc/73/94/48/594739448.db2.gz HZUIUABELYOYAH-IRXDYDNUSA-N 0 3 346.475 1.660 20 10 EDCDHN C[C@@H](NC(=O)C1CCCC1)C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1 ZINC000832273315 594739591 /nfs/dbraw/zinc/73/95/91/594739591.db2.gz NHUCUKAQDNJUFB-CXAGYDPISA-N 0 3 346.475 1.564 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)c2ccc3c(c2)OCO3)cc1 ZINC000832284336 594740277 /nfs/dbraw/zinc/74/02/77/594740277.db2.gz IXVNQBFZPUDEAD-HNNXBMFYSA-N 0 3 327.384 1.911 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNC(=O)CNC(=O)C2CCCCC2)cc1 ZINC000832293434 594740724 /nfs/dbraw/zinc/74/07/24/594740724.db2.gz WSMGAUOLRSZSSO-QGZVFWFLSA-N 0 3 346.475 1.565 20 10 EDCDHN CC(C)CN1C[C@H](C(=O)NC[C@H](N)c2ccc(N(C)C)cc2)CC1=O ZINC000832299510 594741248 /nfs/dbraw/zinc/74/12/48/594741248.db2.gz BUFYRCRKYJPSNX-WBVHZDCISA-N 0 3 346.475 1.373 20 10 EDCDHN CCC[NH2+]CCNC(=O)NCc1cc(Br)ccc1[O-] ZINC000841965435 594990789 /nfs/dbraw/zinc/99/07/89/594990789.db2.gz TWNCBUZLHDADPN-UHFFFAOYSA-N 0 3 330.226 1.954 20 10 EDCDHN CC(C)C[C@H](CN)NC(=O)C(=O)NCCCSc1nccs1 ZINC000842092713 595016244 /nfs/dbraw/zinc/01/62/44/595016244.db2.gz LZRQZPLZTHPTBB-LLVKDONJSA-N 0 3 344.506 1.231 20 10 EDCDHN CC(C)C[C@@H](CN)NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000842170067 595028475 /nfs/dbraw/zinc/02/84/75/595028475.db2.gz ADUOJYLXIUHHNH-INIZCTEOSA-N 0 3 344.459 1.169 20 10 EDCDHN CC(=O)N1CCCC[C@@H]1C(=O)NC[C@H](N)c1ccc(N(C)C)cc1 ZINC000843297331 595065652 /nfs/dbraw/zinc/06/56/52/595065652.db2.gz HLWLREBALSORJH-DLBZAZTESA-N 0 3 332.448 1.270 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)c2cc([N+](=O)[O-])cn2C)cc1 ZINC000843299852 595066896 /nfs/dbraw/zinc/06/68/96/595066896.db2.gz XZMZHVBPPSOLSR-AWEZNQCLSA-N 0 3 331.376 1.429 20 10 EDCDHN COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000843489640 595128058 /nfs/dbraw/zinc/12/80/58/595128058.db2.gz QVADDWVIERYDCZ-JYAVWHMHSA-N 0 3 338.791 1.013 20 10 EDCDHN COc1cc(O)c(CN2CC[C@@H](Nc3ncccn3)C2)cc1OC ZINC000842617801 595143780 /nfs/dbraw/zinc/14/37/80/595143780.db2.gz WSEHMJKWSMBFDW-CYBMUJFWSA-N 0 3 330.388 1.886 20 10 EDCDHN COc1cccc([C@H](C)[NH2+]C2CCN(S(C)(=O)=O)CC2)c1[O-] ZINC000846139064 595154703 /nfs/dbraw/zinc/15/47/03/595154703.db2.gz PHEJIFAPKVRZAK-NSHDSACASA-N 0 3 328.434 1.475 20 10 EDCDHN O=S(=O)(NCC[NH2+][C@H]1CCc2cccc([O-])c21)c1ccccc1 ZINC000834541582 595159020 /nfs/dbraw/zinc/15/90/20/595159020.db2.gz ZREXXSIDAOWEKQ-HNNXBMFYSA-N 0 3 332.425 1.948 20 10 EDCDHN COC1CCN(c2ccc(CN3CCN4C[C@H](O)C[C@H]4C3)cc2)CC1 ZINC000847049415 595357017 /nfs/dbraw/zinc/35/70/17/595357017.db2.gz PSOICXHITZBAIL-RBUKOAKNSA-N 0 3 345.487 1.553 20 10 EDCDHN COc1ccc(N(C)CCN(C)C(=O)NC[C@@H]2CCCN2C)cc1 ZINC000844923385 595415057 /nfs/dbraw/zinc/41/50/57/595415057.db2.gz FVQYJOLGGZBUFO-INIZCTEOSA-N 0 3 334.464 1.867 20 10 EDCDHN C[C@@H]1CCN(CC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C1 ZINC000847506366 595437267 /nfs/dbraw/zinc/43/72/67/595437267.db2.gz AMVNCXGEWYUVBG-MRXNPFEDSA-N 0 3 345.487 1.853 20 10 EDCDHN CCc1cccc(CN2CCN(C(=O)CN(CC)CC)CC2)c1O ZINC000848885951 595462977 /nfs/dbraw/zinc/46/29/77/595462977.db2.gz PHYGUYIHMXROGT-UHFFFAOYSA-N 0 3 333.476 1.941 20 10 EDCDHN CCc1cccc(C[N@@H+]2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)c1[O-] ZINC000848910248 595466392 /nfs/dbraw/zinc/46/63/92/595466392.db2.gz GVDPMNDKYCTALA-KBXCAEBGSA-N 0 3 331.416 1.907 20 10 EDCDHN CCc1cccc(C[N@H+]2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)c1[O-] ZINC000848910248 595466393 /nfs/dbraw/zinc/46/63/93/595466393.db2.gz GVDPMNDKYCTALA-KBXCAEBGSA-N 0 3 331.416 1.907 20 10 EDCDHN CC[C@H]([NH2+]C)C(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1[O-] ZINC000852885157 595597666 /nfs/dbraw/zinc/59/76/66/595597666.db2.gz OASAKEWRJOBQSH-LBPRGKRZSA-N 0 3 328.796 1.545 20 10 EDCDHN COc1cc(CN[C@H]2CCS(=O)(=O)C2)c(O)c(C(C)(C)C)c1 ZINC000850012910 595718058 /nfs/dbraw/zinc/71/80/58/595718058.db2.gz RTXKXFGXYUJPDY-LBPRGKRZSA-N 0 3 327.446 1.975 20 10 EDCDHN COc1ccc(N2CCN(CCNc3ccnc(CO)c3)CC2)cc1 ZINC000858366754 595776025 /nfs/dbraw/zinc/77/60/25/595776025.db2.gz BAMHBGSKDWJERZ-UHFFFAOYSA-N 0 3 342.443 1.817 20 10 EDCDHN CN(C)c1ccc(CN(C)C(=O)CN[C@@H]2C[C@@H](O)C23CCC3)cc1 ZINC000852584453 596205518 /nfs/dbraw/zinc/20/55/18/596205518.db2.gz NNEYNXTXJBEVHX-IAGOWNOFSA-N 0 3 331.460 1.604 20 10 EDCDHN C[C@@H]1C(=O)N(CCN(C)C)CN1Cc1cc(F)c(N(C)C)cc1F ZINC000862400044 596321125 /nfs/dbraw/zinc/32/11/25/596321125.db2.gz LCCAZUKENKYYHF-GFCCVEGCSA-N 0 3 340.418 1.583 20 10 EDCDHN CNS(=O)(=O)C[C@@H]1CCCN(Cc2cccc(OC)c2O)C1 ZINC000862550992 596344353 /nfs/dbraw/zinc/34/43/53/596344353.db2.gz IYOJQLKXHLRWLQ-GFCCVEGCSA-N 0 3 328.434 1.162 20 10 EDCDHN Cc1cn2c(n1)C[C@@H](C(=O)NC[C@H](N)c1ccc(N(C)C)cc1)CC2 ZINC000876506586 597224273 /nfs/dbraw/zinc/22/42/73/597224273.db2.gz MANUHCGHTDYDSK-RDJZCZTQSA-N 0 3 341.459 1.636 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNC(=O)C(F)(F)C2CCOCC2)cc1 ZINC000876506381 597224695 /nfs/dbraw/zinc/22/46/95/597224695.db2.gz ITXCJWOUTAYGNM-OAHLLOKOSA-N 0 3 341.402 1.931 20 10 EDCDHN O=C1CCCN1[C@@H]1CCN(Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877471898 597521234 /nfs/dbraw/zinc/52/12/34/597521234.db2.gz DPBYQBGESPBZIH-GOSISDBHSA-N 0 3 343.471 1.844 20 10 EDCDHN Cc1cccc(O)c1CN1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000877540577 597532970 /nfs/dbraw/zinc/53/29/70/597532970.db2.gz CUSYGQRVUOPSMJ-UHFFFAOYSA-N 0 3 327.450 1.015 20 10 EDCDHN O=C1OCCN1[C@@H]1CCN(Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877626069 597542613 /nfs/dbraw/zinc/54/26/13/597542613.db2.gz RGEUMBRPAPKBQV-QGZVFWFLSA-N 0 3 345.443 1.674 20 10 EDCDHN CO[N-]C(=O)C1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000877787543 597556420 /nfs/dbraw/zinc/55/64/20/597556420.db2.gz OBDDXTVDXADILK-UHFFFAOYSA-N 0 3 333.432 1.413 20 10 EDCDHN CONC(=O)C1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000877787543 597556421 /nfs/dbraw/zinc/55/64/21/597556421.db2.gz OBDDXTVDXADILK-UHFFFAOYSA-N 0 3 333.432 1.413 20 10 EDCDHN CC[NH+](CC)C[C@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000921077057 697510776 /nfs/dbraw/zinc/51/07/76/697510776.db2.gz DWFVEFPLIBGRFN-NSHDSACASA-N 0 3 343.449 1.224 20 10 EDCDHN COc1cccc(O)c1CNCc1cn(C(C)(C)C)c(=O)[nH]c1=O ZINC000922497556 711614525 /nfs/dbraw/zinc/61/45/25/711614525.db2.gz GXWMFCUFCGERMC-UHFFFAOYSA-N 0 3 333.388 1.708 20 10 EDCDHN CCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2cc(F)ccc2[O-])CC1 ZINC000176982094 237365577 /nfs/dbraw/zinc/36/55/77/237365577.db2.gz VOZSITGNLDEXBI-NSHDSACASA-N 0 3 330.425 1.996 20 10 EDCDHN CN(C)c1ccc(CN(C)C(=O)CN2CCCC[C@H]2C(=N)NO)cc1 ZINC000374171894 250255610 /nfs/dbraw/zinc/25/56/10/250255610.db2.gz GRKBAYZXEGIVRE-INIZCTEOSA-N 0 3 347.463 1.522 20 10 EDCDHN CCC(=O)N1CCCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000092186980 441775724 /nfs/dbraw/zinc/77/57/24/441775724.db2.gz VGIGEKUNYINESW-UHFFFAOYSA-N 0 3 331.460 1.968 20 10 EDCDHN C[C@H](NCC(=O)N1CCOCC1)c1ccc(N2CCOCC2)cc1 ZINC000181263911 442687168 /nfs/dbraw/zinc/68/71/68/442687168.db2.gz GYQIQRLYGMYYLN-HNNXBMFYSA-N 0 3 333.432 1.033 20 10 EDCDHN CN1CCC(O)(C[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000265869581 442951785 /nfs/dbraw/zinc/95/17/85/442951785.db2.gz MCCZRAULKBPACN-UHFFFAOYSA-N 0 3 329.784 1.500 20 10 EDCDHN COCCO[C@@H]1C[C@H](CO)CN(Cc2cc(OC)ccc2O)C1 ZINC000278758174 443427117 /nfs/dbraw/zinc/42/71/17/443427117.db2.gz SWSQRPCJVIBZKU-XJKSGUPXSA-N 0 3 325.405 1.247 20 10 EDCDHN CCN1CCN(CCC[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000273361315 443568292 /nfs/dbraw/zinc/56/82/92/443568292.db2.gz DAZBTBVZLHMOMP-CQSZACIVSA-N 0 3 336.436 1.979 20 10 EDCDHN COc1ccc([O-])c(C[NH2+]C[C@]2(CO)COCC3(CCC3)N2C)c1 ZINC000529645186 320586873 /nfs/dbraw/zinc/58/68/73/320586873.db2.gz RIVVHGWXLBNRJM-SFHVURJKSA-N 0 3 336.432 1.106 20 10 EDCDHN COc1cc([O-])c(C[NH2+]C2CCN(c3cccnn3)CC2)cc1OC ZINC000277451765 443986936 /nfs/dbraw/zinc/98/69/36/443986936.db2.gz JYCMTHNSTCPJAU-UHFFFAOYSA-N 0 3 344.415 1.958 20 10 EDCDHN O=S1(=O)CC[C@](O)(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000294683912 444135822 /nfs/dbraw/zinc/13/58/22/444135822.db2.gz BVEJTEZKTKTAIA-SFHVURJKSA-N 0 3 347.436 1.698 20 10 EDCDHN CCOc1cccc(C[N@@H+]2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)c1[O-] ZINC000289786765 444203212 /nfs/dbraw/zinc/20/32/12/444203212.db2.gz RVSIEVZVAVNUPS-UGSOOPFHSA-N 0 3 347.415 1.744 20 10 EDCDHN CCOc1cccc(C[N@H+]2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)c1[O-] ZINC000289786765 444203213 /nfs/dbraw/zinc/20/32/13/444203213.db2.gz RVSIEVZVAVNUPS-UGSOOPFHSA-N 0 3 347.415 1.744 20 10 EDCDHN Cn1ccnc(N2CCC(NCc3ccc4c(c3)CCO4)CC2)c1=O ZINC000328622283 444397400 /nfs/dbraw/zinc/39/74/00/444397400.db2.gz BBEVIDAPOKYWGA-UHFFFAOYSA-N 0 3 340.427 1.474 20 10 EDCDHN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N1CC[C@H](N(C)C)C1 ZINC000359812337 445440724 /nfs/dbraw/zinc/44/07/24/445440724.db2.gz VUWASOYJGHDBFA-AWEZNQCLSA-N 0 3 342.443 1.265 20 10 EDCDHN CC(C)(C)NC(=O)CN1CCCN(Cc2cc(F)ccc2O)CC1 ZINC000371529198 446915672 /nfs/dbraw/zinc/91/56/72/446915672.db2.gz QUQUBIWNROUXMT-UHFFFAOYSA-N 0 3 337.439 1.954 20 10 EDCDHN Cc1ccc([O-])c(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)c1 ZINC000375737999 447013641 /nfs/dbraw/zinc/01/36/41/447013641.db2.gz ISUMLCSHXHWQIR-ALOPSCKCSA-N 0 3 331.460 1.874 20 10 EDCDHN Cn1cccc1CNCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000738430825 578528385 /nfs/dbraw/zinc/52/83/85/578528385.db2.gz QLFUEQPHHRTUHK-UHFFFAOYSA-N 0 3 333.457 1.550 20 10 EDCDHN Fc1cc(CN[C@@H]2CCc3nccn3C2)ccc1N1CCOCC1 ZINC000727469731 578529704 /nfs/dbraw/zinc/52/97/04/578529704.db2.gz DLJAHETYYYLIAK-OAHLLOKOSA-N 0 3 330.407 1.963 20 10 EDCDHN CNC(=O)CCOC1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000751953167 579830130 /nfs/dbraw/zinc/83/01/30/579830130.db2.gz STAYURATAUYOBF-UHFFFAOYSA-N 0 3 336.388 1.238 20 10 EDCDHN Cc1ccc([C@@H](C)[NH2+]CC2(O)CCS(=O)(=O)CC2)c([O-])c1C ZINC000756608811 579953457 /nfs/dbraw/zinc/95/34/57/579953457.db2.gz QXBVKHYWKXPNAP-CYBMUJFWSA-N 0 3 327.446 1.599 20 10 EDCDHN CN1CCN(c2ccc(CNC(C)(C)CS(C)(=O)=O)cc2)CC1 ZINC000762788156 580083242 /nfs/dbraw/zinc/08/32/42/580083242.db2.gz VETFPJIBMWOUNJ-UHFFFAOYSA-N 0 3 339.505 1.351 20 10 EDCDHN O=[N+]([O-])c1cc(CN(CCO)CCCO)ccc1N1CCCCC1 ZINC000769389726 580235469 /nfs/dbraw/zinc/23/54/69/580235469.db2.gz PCNCFBBRKIHOQO-UHFFFAOYSA-N 0 3 337.420 1.762 20 10 EDCDHN C[C@@H](NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)c1ccc(N(C)C)cc1 ZINC000775403400 580390224 /nfs/dbraw/zinc/39/02/24/580390224.db2.gz HXVSEZLVXXFQKD-ZBFHGGJFSA-N 0 3 346.475 1.340 20 10 EDCDHN CN1CCN(c2ccc(CN3CCN4C(=O)CC[C@H]4C3)cc2)CC1 ZINC000775667276 580396735 /nfs/dbraw/zinc/39/67/35/580396735.db2.gz HMEMDOOJTYIFIV-SFHVURJKSA-N 0 3 328.460 1.245 20 10 EDCDHN CCOc1ccc(O)c(CN[C@H]2CCN(C3CCOCC3)C2=O)c1 ZINC000776230555 580412128 /nfs/dbraw/zinc/41/21/28/580412128.db2.gz LBICICCRIMXYCV-INIZCTEOSA-N 0 3 334.416 1.660 20 10 EDCDHN CCN(CC)C[C@H](C)NC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000793793215 580856420 /nfs/dbraw/zinc/85/64/20/580856420.db2.gz ISBJLLPWXDMSKH-AWEZNQCLSA-N 0 3 334.464 1.215 20 10 EDCDHN COc1ccc(O)c([C@@H](C)NS(=O)(=O)CCCN2CCCC2)c1 ZINC000866841542 590627318 /nfs/dbraw/zinc/62/73/18/590627318.db2.gz FYKQZKZWUBBKEH-CYBMUJFWSA-N 0 3 342.461 1.867 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)NCC(C)(C)C(N)=O)N(C)C)cc1 ZINC000892098517 590798023 /nfs/dbraw/zinc/79/80/23/590798023.db2.gz GFWHYPYDDFGBIU-OAHLLOKOSA-N 0 3 349.479 1.166 20 10 EDCDHN Cc1cncn1CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891245567 591015230 /nfs/dbraw/zinc/01/52/30/591015230.db2.gz GRNNTLRSEKPJMK-KRWDZBQOSA-N 0 3 329.448 1.677 20 10 EDCDHN COc1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)on1 ZINC000891247131 591016497 /nfs/dbraw/zinc/01/64/97/591016497.db2.gz FKNVPDRVJHAXIF-CQSZACIVSA-N 0 3 332.404 1.782 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)c2cccc[n+]2[O-])N(C)C)cc1 ZINC000891252088 591019330 /nfs/dbraw/zinc/01/93/30/591019330.db2.gz GADPXNNAZHVEJU-KRWDZBQOSA-N 0 3 328.416 1.419 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)C[C@@H]2COC(=O)C2)N(C)C)cc1 ZINC000891252675 591020456 /nfs/dbraw/zinc/02/04/56/591020456.db2.gz MBQKVGFFNKQBPM-XJKSGUPXSA-N 0 3 333.432 1.425 20 10 EDCDHN CN(C)c1ccc(CNC(=O)N2C[C@@H]3CN(C)C[C@]3(C)C2)cc1F ZINC000892485651 591044948 /nfs/dbraw/zinc/04/49/48/591044948.db2.gz KUXYJVHWXQMLDM-KBXCAEBGSA-N 0 3 334.439 1.985 20 10 EDCDHN COc1ccc(C[NH2+]C[C@@H](C(C)C)N2CCOCC2)c([O-])c1OC ZINC000892500609 591051087 /nfs/dbraw/zinc/05/10/87/591051087.db2.gz XMZWKLFSAPPIHU-HNNXBMFYSA-N 0 3 338.448 1.856 20 10 EDCDHN COC(=O)/C=C/c1ccc(N2CC[C@@H]3CN(C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000893940004 591144100 /nfs/dbraw/zinc/14/41/00/591144100.db2.gz LXBOHJHSJUUFAG-LNRYFFFSSA-N 0 3 331.372 1.921 20 10 EDCDHN CCNC(=O)[C@H](C)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891600074 591145673 /nfs/dbraw/zinc/14/56/73/591145673.db2.gz PWWWENRENIGRMN-BBRMVZONSA-N 0 3 349.479 1.179 20 10 EDCDHN CCN(CC)c1ccc(CN[C@@H]2C(=O)NCC23CCOCC3)cc1 ZINC000895772507 591270486 /nfs/dbraw/zinc/27/04/86/591270486.db2.gz GEYPFZCBSOPOLY-QGZVFWFLSA-N 0 3 331.460 1.918 20 10 EDCDHN C[C@@H](CS(C)(=O)=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898450255 591353678 /nfs/dbraw/zinc/35/36/78/591353678.db2.gz PIYBKQPZPGSRMW-XJKSGUPXSA-N 0 3 327.494 1.378 20 10 EDCDHN CN(C)c1ccc([C@@H](CN[C@H]2CCCS(=O)(=O)C2)N(C)C)cc1 ZINC000898449868 591353724 /nfs/dbraw/zinc/35/37/24/591353724.db2.gz KQULUTXRFDSMOV-DOTOQJQBSA-N 0 3 339.505 1.522 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)N2CC(C)(CO)C2)N(C)C)cc1 ZINC000899097706 591678052 /nfs/dbraw/zinc/67/80/52/591678052.db2.gz FPTWJUGNAGSICE-MRXNPFEDSA-N 0 3 334.464 1.379 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)N2CCC[C@@H]2CO)N(C)C)cc1 ZINC000899102809 591683243 /nfs/dbraw/zinc/68/32/43/591683243.db2.gz SEDDSPVCGCJCQP-IAGOWNOFSA-N 0 3 334.464 1.522 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)N[C@]2(C)CCOC2)N(C)C)cc1 ZINC000899103925 591684513 /nfs/dbraw/zinc/68/45/13/591684513.db2.gz PIGPWAMYFCACOO-SJLPKXTDSA-N 0 3 334.464 1.834 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)N2CC=C[C@@H]2CO)N(C)C)cc1 ZINC000899098518 591687905 /nfs/dbraw/zinc/68/79/05/591687905.db2.gz PFICVWFTMSQWBH-IAGOWNOFSA-N 0 3 332.448 1.298 20 10 EDCDHN COc1cc(O)c(CN2CCC3(CCNC(=O)O3)CC2)cc1OC ZINC000897012613 591710740 /nfs/dbraw/zinc/71/07/40/591710740.db2.gz HGUBZIMZVKJBMV-UHFFFAOYSA-N 0 3 336.388 1.874 20 10 EDCDHN COc1cc(Cl)cc(CN2CC[C@H](CS(N)(=O)=O)C2)c1O ZINC000897060229 591728039 /nfs/dbraw/zinc/72/80/39/591728039.db2.gz GDDTZYONEYWJNI-VIFPVBQESA-N 0 3 334.825 1.165 20 10 EDCDHN CN1CCN(c2ccc(CN3CCNC(=O)CC3(C)C)cc2)CC1 ZINC000895400901 591745403 /nfs/dbraw/zinc/74/54/03/591745403.db2.gz ZMZQMZFDVKQAKB-UHFFFAOYSA-N 0 3 330.476 1.539 20 10 EDCDHN CN(C)c1ccc([C@@H](CN2C(=O)N[C@]3(CCOC3)C2=O)N(C)C)cc1 ZINC000900185557 591932401 /nfs/dbraw/zinc/93/24/01/591932401.db2.gz ORAYLBQEDCWTHX-QAPCUYQASA-N 0 3 346.431 1.066 20 10 EDCDHN COC[C@]1(C)NC(=O)N(C[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1=O ZINC000900184408 591932544 /nfs/dbraw/zinc/93/25/44/591932544.db2.gz BSWLPCUTUVVTOQ-YJBOKZPZSA-N 0 3 348.447 1.312 20 10 EDCDHN CN(C)CCn1nccc1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000900894940 592159828 /nfs/dbraw/zinc/15/98/28/592159828.db2.gz KHYCULUWSJISCJ-UHFFFAOYSA-N 0 3 343.431 1.550 20 10 EDCDHN CO[C@]1(C[NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)CCS(=O)(=O)C1 ZINC000903367130 592160552 /nfs/dbraw/zinc/16/05/52/592160552.db2.gz XSXFKDXUOUXJEK-SIVJFFJCSA-N 0 3 343.420 1.873 20 10 EDCDHN O[C@@H](CNCc1ccc(N2CCSCC2)cc1)C1(O)CCCC1 ZINC000905052493 592381953 /nfs/dbraw/zinc/38/19/53/592381953.db2.gz QXAGIKVVFDTHMI-KRWDZBQOSA-N 0 3 336.501 1.995 20 10 EDCDHN CC(C)OC[C@@H](O)CNCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000905480136 592537895 /nfs/dbraw/zinc/53/78/95/592537895.db2.gz CEVLYDQCNAQPFB-SFHVURJKSA-N 0 3 349.475 1.264 20 10 EDCDHN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C1CN(C)CCN(C)C1 ZINC000910558319 592877594 /nfs/dbraw/zinc/87/75/94/592877594.db2.gz OPVOLMPBOKSGQY-MRXNPFEDSA-N 0 3 346.519 1.602 20 10 EDCDHN COc1ccc(N2CCCN(CCN3C(=O)N[C@@H](C)C3=O)CC2)cc1 ZINC000838799882 593213364 /nfs/dbraw/zinc/21/33/64/593213364.db2.gz ZBGJKIDIEVXHRK-AWEZNQCLSA-N 0 3 346.431 1.148 20 10 EDCDHN C[C@H](NCC(=O)NC[C@H]1CCCO1)c1ccc(N2CCOCC2)cc1 ZINC000839542678 593337307 /nfs/dbraw/zinc/33/73/07/593337307.db2.gz VDUYKMFNFDIVOS-MAUKXSAKSA-N 0 3 347.459 1.469 20 10 EDCDHN CN(C[C@H]1CCCN1C)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000817156143 593577773 /nfs/dbraw/zinc/57/77/73/593577773.db2.gz GSTPMKXHKWZKCO-GOSISDBHSA-N 0 3 346.475 1.759 20 10 EDCDHN CCO[C@@H]1C[C@H]([NH2+]Cc2cc3c(cc2[O-])OCO3)[C@H]1n1cccn1 ZINC000815166747 593618901 /nfs/dbraw/zinc/61/89/01/593618901.db2.gz IXSHFHDIVXYELC-JCURWCKSSA-N 0 3 331.372 1.826 20 10 EDCDHN CS(=O)(=O)c1ccc([C@@H](O)CNCc2ccc3c(c2)CCO3)cc1 ZINC000818997344 593733047 /nfs/dbraw/zinc/73/30/47/593733047.db2.gz YJXPRIURLCXNMN-KRWDZBQOSA-N 0 3 347.436 1.848 20 10 EDCDHN COCCOC[C@H](O)CN1CCCN(c2ccc(OC)cc2)CC1 ZINC000827467867 594674753 /nfs/dbraw/zinc/67/47/53/594674753.db2.gz GXNSCLLQASXCRN-QGZVFWFLSA-N 0 3 338.448 1.231 20 10 EDCDHN COc1ccc(N2CC[C@H](CNC(=O)[C@H](N)CC(F)F)C2)cc1 ZINC000831748768 594699060 /nfs/dbraw/zinc/69/90/60/594699060.db2.gz MXIOIHYDMQZHQF-BXUZGUMPSA-N 0 3 327.375 1.620 20 10 EDCDHN C[C@H](OC[C@@H]1CCCCO1)C(=O)NC[C@H](N)c1ccc(N(C)C)cc1 ZINC000832281626 594740017 /nfs/dbraw/zinc/74/00/17/594740017.db2.gz VCICZQFSVNVAOG-WBAXXEDZSA-N 0 3 349.475 1.843 20 10 EDCDHN Cc1cc(N(C)C)ccc1CN[C@H]1CCN(C2CCOCC2)C1=O ZINC000840935646 594830198 /nfs/dbraw/zinc/83/01/98/594830198.db2.gz XBISMUOHKFWTDX-SFHVURJKSA-N 0 3 331.460 1.931 20 10 EDCDHN CCS(=O)(=O)CCCNCc1ccc(N2CCOCC2)cc1 ZINC000840974002 594834230 /nfs/dbraw/zinc/83/42/30/594834230.db2.gz ZMIBJFHZRNEEPX-UHFFFAOYSA-N 0 3 326.462 1.438 20 10 EDCDHN CNC(=O)NC1CCN(Cc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC000840974335 594834239 /nfs/dbraw/zinc/83/42/39/594834239.db2.gz GSWNEXUEJNHPKF-UHFFFAOYSA-N 0 3 345.491 1.332 20 10 EDCDHN CC1CCN(c2ccc(CNC(=O)NC[C@@H]3CNCCO3)cc2)CC1 ZINC000841793155 594953743 /nfs/dbraw/zinc/95/37/43/594953743.db2.gz JEIHVJZOPBHVQX-SFHVURJKSA-N 0 3 346.475 1.711 20 10 EDCDHN O=C(NCc1cc(Br)ccc1[O-])NCC1CC[NH2+]CC1 ZINC000841924270 594982562 /nfs/dbraw/zinc/98/25/62/594982562.db2.gz VOBOVGCTCMQPLH-UHFFFAOYSA-N 0 3 342.237 1.954 20 10 EDCDHN COc1cccc([C@@H](C)N[C@H]2CCN(c3cnn(C)c3)C2=O)c1O ZINC000846151808 595158239 /nfs/dbraw/zinc/15/82/39/595158239.db2.gz HOUGCKFRCNZRCK-RISCZKNCSA-N 0 3 330.388 1.590 20 10 EDCDHN COc1cccc([C@H](C)N[C@H]2CCCN(c3ccn(C)n3)C2=O)c1O ZINC000846154120 595159185 /nfs/dbraw/zinc/15/91/85/595159185.db2.gz KKDPCUWFEVCRJW-JSGCOSHPSA-N 0 3 344.415 1.981 20 10 EDCDHN COc1cccc([C@@H](C)NCCS(=O)(=O)C2CCOCC2)c1O ZINC000846167690 595163464 /nfs/dbraw/zinc/16/34/64/595163464.db2.gz BAPKQMANSBIDET-GFCCVEGCSA-N 0 3 343.445 1.645 20 10 EDCDHN C[C@@H]1C[C@H]([NH2+][C@H]2CCN(S(C)(=O)=O)C2)c2c1c(F)ccc2[O-] ZINC000846191276 595169191 /nfs/dbraw/zinc/16/91/91/595169191.db2.gz XIYUNGHCJKQGGQ-SCVCMEIPSA-N 0 3 328.409 1.703 20 10 EDCDHN CC[C@@H](C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1)N(C)C ZINC000837706985 595174017 /nfs/dbraw/zinc/17/40/17/595174017.db2.gz ITNNQCXOJZWJOK-HNNXBMFYSA-N 0 3 341.402 1.758 20 10 EDCDHN Cc1n[nH]c(C)c1S(=O)(=O)NC[C@H](N)c1ccc(N(C)C)cc1 ZINC000842783917 595196670 /nfs/dbraw/zinc/19/66/70/595196670.db2.gz FMWDJOIIBJMUKT-AWEZNQCLSA-N 0 3 337.449 1.071 20 10 EDCDHN CC(C)OCCS(=O)(=O)NC[C@H](N)c1ccc(N(C)C)cc1 ZINC000842785919 595197891 /nfs/dbraw/zinc/19/78/91/595197891.db2.gz XLMKBNQKPSQQOR-HNNXBMFYSA-N 0 3 329.466 1.097 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNS(=O)(=O)c2ccc(N)cc2)cc1 ZINC000842786125 595198064 /nfs/dbraw/zinc/19/80/64/595198064.db2.gz UGZIOIOYXKVQTD-INIZCTEOSA-N 0 3 334.445 1.313 20 10 EDCDHN COc1cc(O)c(CN2CCNC[C@H]2c2ccncc2)cc1OC ZINC000843120444 595291666 /nfs/dbraw/zinc/29/16/66/595291666.db2.gz KSCLRZLEJSDMSD-HNNXBMFYSA-N 0 3 329.400 1.951 20 10 EDCDHN CN(C)c1ccc(CNC(=O)C(=O)N(C)CCN2CCCCC2)cc1 ZINC000846720937 595306949 /nfs/dbraw/zinc/30/69/49/595306949.db2.gz CVWXOBDOTWAELL-UHFFFAOYSA-N 0 3 346.475 1.313 20 10 EDCDHN COc1ccc(N(C)CCN(C)Cc2cc(=O)n3nccc3[nH]2)cc1 ZINC000844401833 595338021 /nfs/dbraw/zinc/33/80/21/595338021.db2.gz SCJCDQNWBLFCPJ-UHFFFAOYSA-N 0 3 341.415 1.599 20 10 EDCDHN COc1ccc(N2CCN(C(=O)N[C@@H](CN)C(F)(F)F)CC2)cc1 ZINC000848596654 595413908 /nfs/dbraw/zinc/41/39/08/595413908.db2.gz ZRGZPZOJYGTBOG-ZDUSSCGKSA-N 0 3 346.353 1.416 20 10 EDCDHN CCc1cccc(C[NH2+]C[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)c1[O-] ZINC000848898390 595464799 /nfs/dbraw/zinc/46/47/99/595464799.db2.gz UUPZUYSMHRIAOA-KSSFIOAISA-N 0 3 331.416 1.765 20 10 EDCDHN [O-]c1cccc(Br)c1CNC[C@@H](O)C[NH+]1CCCC1 ZINC000858106764 595701814 /nfs/dbraw/zinc/70/18/14/595701814.db2.gz QYDLEIXOGLBWSH-LLVKDONJSA-N 0 3 329.238 1.701 20 10 EDCDHN C[C@H](NC[C@@H](O)[C@H]1CCCO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000858469670 595804208 /nfs/dbraw/zinc/80/42/08/595804208.db2.gz XXALTDHPLAGWHO-MORSLUCNSA-N 0 3 338.423 1.853 20 10 EDCDHN C[C@@H](Cn1cncn1)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000850424672 595832015 /nfs/dbraw/zinc/83/20/15/595832015.db2.gz GOZGEZIBSLWNMU-HOCLYGCPSA-N 0 3 342.447 1.158 20 10 EDCDHN C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)NCCc1ccc(N)cc1 ZINC000851687391 595885556 /nfs/dbraw/zinc/88/55/56/595885556.db2.gz ABZSFYYPDIVXMT-HNNXBMFYSA-N 0 3 346.475 1.164 20 10 EDCDHN CCN(CC)c1ccc(CNC[C@]23COC(=O)N2CCOC3)cc1 ZINC000865768282 596674158 /nfs/dbraw/zinc/67/41/58/596674158.db2.gz ZEKBFAQBWRXCHF-SFHVURJKSA-N 0 3 333.432 1.844 20 10 EDCDHN COC(=O)[C@H](C)NC(=O)[C@H](C)N[C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000866439887 596887100 /nfs/dbraw/zinc/88/71/00/596887100.db2.gz KOHUWIQBCCIMGB-AVGNSLFASA-N 0 3 348.443 1.988 20 10 EDCDHN O=S1(=O)CCC[C@H](NCc2ccc(N3CCOCC3)cc2)CC1 ZINC000873020129 597162497 /nfs/dbraw/zinc/16/24/97/597162497.db2.gz GLJZKBJEPZKCPX-INIZCTEOSA-N 0 3 338.473 1.580 20 10 EDCDHN CCCOc1ccc(CN[C@H]2CCN(S(C)(=O)=O)C2)cc1C ZINC000873134337 597207514 /nfs/dbraw/zinc/20/75/14/597207514.db2.gz PHQXZGIGTUSGDW-HNNXBMFYSA-N 0 3 326.462 1.907 20 10 EDCDHN CCN(C1CCN(Cc2ccc(C)cc2O)CC1)S(C)(=O)=O ZINC000876720790 597304505 /nfs/dbraw/zinc/30/45/05/597304505.db2.gz CMQJNHQOTBHVPZ-UHFFFAOYSA-N 0 3 326.462 1.947 20 10 EDCDHN CN(C)C[C@H](N)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC000876873207 597364183 /nfs/dbraw/zinc/36/41/83/597364183.db2.gz YGDHACYLYIHNQT-ROUUACIJSA-N 0 3 348.491 1.149 20 10 EDCDHN C[C@H]1[C@@H](NC(=O)NCc2ccc(N3CCOCC3)cc2)CCN1C ZINC000914336502 695368939 /nfs/dbraw/zinc/36/89/39/695368939.db2.gz ZMKBWMQVHIAQAZ-YOEHRIQHSA-N 0 3 332.448 1.415 20 10 EDCDHN CC[C@@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)c1ccccc1[O-] ZINC000155194529 697403413 /nfs/dbraw/zinc/40/34/13/697403413.db2.gz KNPXFKKUIUYMBA-MRXNPFEDSA-N 0 3 341.411 1.848 20 10 EDCDHN C[NH+](C)C1CCN(CCNC(=O)NCc2c([O-])cccc2F)CC1 ZINC000921668506 705977034 /nfs/dbraw/zinc/97/70/34/705977034.db2.gz RNXDRZRWVILNBO-UHFFFAOYSA-N 0 3 338.427 1.357 20 10 EDCDHN Cn1ccnc1[C@@H](O)[C@@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000092012074 237012766 /nfs/dbraw/zinc/01/27/66/237012766.db2.gz JEPJVOQQZDXCJK-PXAZEXFGSA-N 0 3 345.399 1.800 20 10 EDCDHN Cn1ccnc1[C@@H](O)[C@@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000092012074 237012775 /nfs/dbraw/zinc/01/27/75/237012775.db2.gz JEPJVOQQZDXCJK-PXAZEXFGSA-N 0 3 345.399 1.800 20 10 EDCDHN Cn1ccnc1[C@@H](O)[C@@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000092012074 237012783 /nfs/dbraw/zinc/01/27/83/237012783.db2.gz JEPJVOQQZDXCJK-PXAZEXFGSA-N 0 3 345.399 1.800 20 10 EDCDHN CCOc1cccc(CN2CCN(C(=O)CN(CC)CC)CC2)c1O ZINC000093045599 237020001 /nfs/dbraw/zinc/02/00/01/237020001.db2.gz JHGQNAGWPNQXON-UHFFFAOYSA-N 0 3 349.475 1.777 20 10 EDCDHN CN(C)C[C@](C)(O)CNC(=O)NCc1ccc2c(c1)CCCN2C ZINC000124206796 237148114 /nfs/dbraw/zinc/14/81/14/237148114.db2.gz CESJLSZKALQZOK-GOSISDBHSA-N 0 3 334.464 1.181 20 10 EDCDHN COc1ccc(O)c([C@H](C)N2CC[C@]3(C2)NC(=O)N(C(C)C)C3=O)c1 ZINC000372487149 250221670 /nfs/dbraw/zinc/22/16/70/250221670.db2.gz ZQOKFGRPGLCUKU-KPZWWZAWSA-N 0 3 347.415 1.867 20 10 EDCDHN COc1ccc([O-])c([C@@H](C)[N@@H+]2C[C@H](C(N)=O)[C@@H](c3cnn(C)c3)C2)c1 ZINC000377681098 250290709 /nfs/dbraw/zinc/29/07/09/250290709.db2.gz QXUGUUMGRREDPA-LYRGGWFBSA-N 0 3 344.415 1.396 20 10 EDCDHN COc1ccc([O-])c([C@@H](C)[N@H+]2C[C@H](C(N)=O)[C@@H](c3cnn(C)c3)C2)c1 ZINC000377681098 250290713 /nfs/dbraw/zinc/29/07/13/250290713.db2.gz QXUGUUMGRREDPA-LYRGGWFBSA-N 0 3 344.415 1.396 20 10 EDCDHN CC(C)CN(C)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000065961356 441497603 /nfs/dbraw/zinc/49/76/03/441497603.db2.gz AFJHJCWUTFSKLL-UHFFFAOYSA-N 0 3 337.439 1.866 20 10 EDCDHN CCC[N@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)N1CCC(C(N)=O)CC1 ZINC000076074028 441594115 /nfs/dbraw/zinc/59/41/15/441594115.db2.gz OHFNHLDSEAYWHT-AWEZNQCLSA-N 0 3 347.459 1.717 20 10 EDCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)N1CCC(C(N)=O)CC1 ZINC000076074028 441594118 /nfs/dbraw/zinc/59/41/18/441594118.db2.gz OHFNHLDSEAYWHT-AWEZNQCLSA-N 0 3 347.459 1.717 20 10 EDCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H](CN3CCOCC3)C1)OCO2 ZINC000069796764 442042625 /nfs/dbraw/zinc/04/26/25/442042625.db2.gz NTCCKQGKRCBCLM-CQSZACIVSA-N 0 3 334.416 1.665 20 10 EDCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H](CN3CCOCC3)C1)OCO2 ZINC000069796764 442042632 /nfs/dbraw/zinc/04/26/32/442042632.db2.gz NTCCKQGKRCBCLM-CQSZACIVSA-N 0 3 334.416 1.665 20 10 EDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CC2CCN(S(C)(=O)=O)CC2)c1 ZINC000185256351 443171214 /nfs/dbraw/zinc/17/12/14/443171214.db2.gz XKNOBAIUBHSFJS-GFCCVEGCSA-N 0 3 342.461 1.723 20 10 EDCDHN C[C@H](CNC(=O)N(C)Cc1ccccc1O)CN1CCN(C)CC1 ZINC000266803270 443247703 /nfs/dbraw/zinc/24/77/03/443247703.db2.gz OGIWQHDMXWIWLA-OAHLLOKOSA-N 0 3 334.464 1.417 20 10 EDCDHN CCOC[C@H]1CCN(Cc2cc(=O)n3ncc(C(=O)OCC)c3[nH]2)C1 ZINC000267101417 443341831 /nfs/dbraw/zinc/34/18/31/443341831.db2.gz UILOKPYCLUXOAI-LBPRGKRZSA-N 0 3 348.403 1.470 20 10 EDCDHN CN(Cc1nccc(N)n1)[C@@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000275474667 443629114 /nfs/dbraw/zinc/62/91/14/443629114.db2.gz APCMAAGVRDGZNP-CQSZACIVSA-N 0 3 331.395 1.610 20 10 EDCDHN CN(Cc1nccc(N)n1)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000275474667 443629117 /nfs/dbraw/zinc/62/91/17/443629117.db2.gz APCMAAGVRDGZNP-CQSZACIVSA-N 0 3 331.395 1.610 20 10 EDCDHN CCN(CC)c1ccc(CNC(=O)C(=O)N2CC[C@@H](N(C)C)C2)cc1 ZINC000283996356 443759980 /nfs/dbraw/zinc/75/99/80/443759980.db2.gz JRQJMBIXXSVGRO-QGZVFWFLSA-N 0 3 346.475 1.312 20 10 EDCDHN CNC(=O)[C@H]1C[N@H+](Cc2cc(C)ccc2[O-])C[C@@H]1c1cnn(C)c1 ZINC000284526118 443778720 /nfs/dbraw/zinc/77/87/20/443778720.db2.gz GMTBSUCVQMXFPE-CVEARBPZSA-N 0 3 328.416 1.396 20 10 EDCDHN CNC(=O)[C@H]1C[N@@H+](Cc2cc(C)ccc2[O-])C[C@@H]1c1cnn(C)c1 ZINC000284526118 443778724 /nfs/dbraw/zinc/77/87/24/443778724.db2.gz GMTBSUCVQMXFPE-CVEARBPZSA-N 0 3 328.416 1.396 20 10 EDCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2CCn3ncc(C(N)=O)c3C2)c1 ZINC000281205952 443847436 /nfs/dbraw/zinc/84/74/36/443847436.db2.gz SIGQFIVBKGQADB-CHWSQXEVSA-N 0 3 328.416 1.909 20 10 EDCDHN CN1CCN(C(=O)C2CC[NH+](Cc3cc(F)ccc3[O-])CC2)CC1 ZINC000289917362 444219063 /nfs/dbraw/zinc/21/90/63/444219063.db2.gz VLCWEXLGAGNROJ-UHFFFAOYSA-N 0 3 335.423 1.517 20 10 EDCDHN COc1cc(O)c(CN2CC[C@@](O)(c3nc(C)no3)C2)cc1OC ZINC000290326647 444267899 /nfs/dbraw/zinc/26/78/99/444267899.db2.gz DJVMFIGTOQXHQK-INIZCTEOSA-N 0 3 335.360 1.194 20 10 EDCDHN C[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@H]1N(C)C ZINC000297887647 444348526 /nfs/dbraw/zinc/34/85/26/444348526.db2.gz QMIVOWIETNTURK-RHSMWYFYSA-N 0 3 346.475 1.120 20 10 EDCDHN CCOc1cccc(C[NH2+]C[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)c1[O-] ZINC000360017463 445530163 /nfs/dbraw/zinc/53/01/63/445530163.db2.gz DABYZDYYWMGQAP-UGSOOPFHSA-N 0 3 347.415 1.601 20 10 EDCDHN COC(=O)c1cn([C@@H]2CCN([C@H](C)c3cc(OC)ccc3O)C2)nn1 ZINC000364636413 445940204 /nfs/dbraw/zinc/94/02/04/445940204.db2.gz MVQOMEISAYSMNW-VXGBXAGGSA-N 0 3 346.387 1.787 20 10 EDCDHN CC[C@@H]([NH2+]C1CCN(c2nnnn2C)CC1)c1ccc(C)cc1[O-] ZINC000366417020 446201666 /nfs/dbraw/zinc/20/16/66/446201666.db2.gz HKYNVNCFIDLOMM-OAHLLOKOSA-N 0 3 330.436 1.934 20 10 EDCDHN COc1cccc(CN2CC[C@@]3(C2)NC(=O)N(C(C)C)C3=O)c1O ZINC000366432840 446211073 /nfs/dbraw/zinc/21/10/73/446211073.db2.gz VMSUDHJHJTZQEW-KRWDZBQOSA-N 0 3 333.388 1.306 20 10 EDCDHN COCCN1CCC(NC(=O)NCc2ccc3c(c2)CCN3C)CC1 ZINC000370427335 446273611 /nfs/dbraw/zinc/27/36/11/446273611.db2.gz DOYKBNGOGVUBAQ-UHFFFAOYSA-N 0 3 346.475 1.589 20 10 EDCDHN CN(C)c1ccc(CNC(=O)CN2CC[C@]3(C2)CCCOC3)cc1 ZINC000367446439 446548053 /nfs/dbraw/zinc/54/80/53/446548053.db2.gz FACBXHVEACVROK-IBGZPJMESA-N 0 3 331.460 1.871 20 10 EDCDHN CCN1CCO[C@H](CN2CCN(Cc3cccc(OC)c3O)CC2)C1 ZINC000371380192 446818518 /nfs/dbraw/zinc/81/85/18/446818518.db2.gz QPLYEQYGDBOKAT-KRWDZBQOSA-N 0 3 349.475 1.239 20 10 EDCDHN CCN1CCO[C@H](CN2CCN(Cc3cc(C)c(C)cc3O)CC2)C1 ZINC000371381991 446822212 /nfs/dbraw/zinc/82/22/12/446822212.db2.gz XGNHYTRZFCAKBY-IBGZPJMESA-N 0 3 347.503 1.847 20 10 EDCDHN C[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1c1cncn1C)c1cc(F)ccc1[O-] ZINC000375511414 446861905 /nfs/dbraw/zinc/86/19/05/446861905.db2.gz HVSNLPSCKQUKOS-OMXAPOSASA-N 0 3 332.379 1.935 20 10 EDCDHN OCCn1ncc2c1CCC[C@@H]2NCc1cc2c(cc1O)OCO2 ZINC000368787936 447106771 /nfs/dbraw/zinc/10/67/71/447106771.db2.gz GLYWDRYUJIWHJB-ZDUSSCGKSA-N 0 3 331.372 1.477 20 10 EDCDHN COc1ccc(CNC[C@@]2(CO)COCC3(CCC3)N2C)cc1C ZINC000527752408 448352594 /nfs/dbraw/zinc/35/25/94/448352594.db2.gz GHHJJNJSXQWMLC-LJQANCHMSA-N 0 3 334.460 1.709 20 10 EDCDHN COc1cccc(CN[C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)c1O ZINC000742390241 579450487 /nfs/dbraw/zinc/45/04/87/579450487.db2.gz DEERNTYLIIJFCA-BXUZGUMPSA-N 0 3 330.388 1.418 20 10 EDCDHN C[C@H](NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1cc(F)cc(F)c1[O-] ZINC000756548115 579952176 /nfs/dbraw/zinc/95/21/76/579952176.db2.gz IMXFLAZYPDXVKL-RYUDHWBXSA-N 0 3 341.402 1.908 20 10 EDCDHN C[C@H](NCCC[N@H+]1CCC[C@H](C(N)=O)C1)c1cc(F)cc(F)c1[O-] ZINC000756548115 579952177 /nfs/dbraw/zinc/95/21/77/579952177.db2.gz IMXFLAZYPDXVKL-RYUDHWBXSA-N 0 3 341.402 1.908 20 10 EDCDHN CCOC[C@@H](C)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765980830 580155803 /nfs/dbraw/zinc/15/58/03/580155803.db2.gz SCPDIRDLUAFDTC-CQSZACIVSA-N 0 3 326.462 1.436 20 10 EDCDHN C[C@@H](NCCc1nnnn1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000772466361 580312095 /nfs/dbraw/zinc/31/20/95/580312095.db2.gz NMOGJIJQQXFALO-GFCCVEGCSA-N 0 3 334.399 1.079 20 10 EDCDHN CCOc1ccc(C[N@H+]2C[C@H](OCCOC)C[C@H](CO)C2)c([O-])c1 ZINC000775206700 580385727 /nfs/dbraw/zinc/38/57/27/580385727.db2.gz XQUIDMLDHONXPA-WMLDXEAASA-N 0 3 339.432 1.637 20 10 EDCDHN CCOc1ccc(C[N@@H+]2C[C@H](OCCOC)C[C@H](CO)C2)c([O-])c1 ZINC000775206700 580385728 /nfs/dbraw/zinc/38/57/28/580385728.db2.gz XQUIDMLDHONXPA-WMLDXEAASA-N 0 3 339.432 1.637 20 10 EDCDHN COc1ccc(O)c([C@H](C)NCC(=O)NC(=O)NCc2ccco2)c1 ZINC000775373010 580389516 /nfs/dbraw/zinc/38/95/16/580389516.db2.gz LAYVTTWWVPRQOM-NSHDSACASA-N 0 3 347.371 1.670 20 10 EDCDHN COc1ccc(O)c([C@@H](C)NCC(=O)Nc2ccccc2C(N)=O)c1 ZINC000775374487 580389525 /nfs/dbraw/zinc/38/95/25/580389525.db2.gz CPAPDLPHPFXWNU-LLVKDONJSA-N 0 3 343.383 1.789 20 10 EDCDHN CN1CCN(c2ccc(CN3CCOC4(CCOCC4)C3)cc2)CC1 ZINC000775736046 580399020 /nfs/dbraw/zinc/39/90/20/580399020.db2.gz JTTDZGJRAXVKHC-UHFFFAOYSA-N 0 3 345.487 1.820 20 10 EDCDHN CC(C)(C)OC(=O)[C@](C)(O)CNCc1cc2c(cc1O)OCO2 ZINC000776521343 580419180 /nfs/dbraw/zinc/41/91/80/580419180.db2.gz WNFDREKLXOTFSC-MRXNPFEDSA-N 0 3 325.361 1.303 20 10 EDCDHN CC(C)(C)OC(=O)[C@](C)(O)C[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000776521343 580419181 /nfs/dbraw/zinc/41/91/81/580419181.db2.gz WNFDREKLXOTFSC-MRXNPFEDSA-N 0 3 325.361 1.303 20 10 EDCDHN COCCO[C@@H]1COCC[C@H]1[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000776813202 580429518 /nfs/dbraw/zinc/42/95/18/580429518.db2.gz UOTPFEDJQCJDSS-MLGOLLRUSA-N 0 3 325.361 1.031 20 10 EDCDHN Cc1cc(C)c([C@@H](C)[NH2+]CC2(O)CCS(=O)(=O)CC2)c([O-])c1 ZINC000788828637 580730673 /nfs/dbraw/zinc/73/06/73/580730673.db2.gz VIYUVDLHYZRBIF-CYBMUJFWSA-N 0 3 327.446 1.599 20 10 EDCDHN COc1ccc(N2CCN(C[C@@H](O)CN3[C@H](C)C[C@@H]3C)CC2)cc1 ZINC000791567313 580795604 /nfs/dbraw/zinc/79/56/04/580795604.db2.gz JJPWVWLWELRDGQ-SOLBZPMBSA-N 0 3 333.476 1.661 20 10 EDCDHN COc1ccc(N2CCN(C(=O)CN[C@H]3CSC[C@H]3C)CC2)cc1 ZINC000796403521 580953248 /nfs/dbraw/zinc/95/32/48/580953248.db2.gz SUYLMYZLXWUOPL-PBHICJAKSA-N 0 3 349.500 1.685 20 10 EDCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H](CN3CCOCC3)C1)[C@H](O)CO2 ZINC000799954223 581039743 /nfs/dbraw/zinc/03/97/43/581039743.db2.gz NTNVDYOLXZAOFA-KBXCAEBGSA-N 0 3 348.443 1.362 20 10 EDCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H](CN3CCOCC3)C1)[C@H](O)CO2 ZINC000799954223 581039744 /nfs/dbraw/zinc/03/97/44/581039744.db2.gz NTNVDYOLXZAOFA-KBXCAEBGSA-N 0 3 348.443 1.362 20 10 EDCDHN COc1ccc(C[NH2+]CCCOC[C@H]2CCOC2)c([O-])c1OC ZINC000893037944 590629763 /nfs/dbraw/zinc/62/97/63/590629763.db2.gz OPFYFKHIXBZMAC-CYBMUJFWSA-N 0 3 325.405 1.942 20 10 EDCDHN CCN1C(=O)[C@@H]2CN(Cc3cc(C)cc(OC)c3O)CCN2C1=O ZINC000894087645 591189225 /nfs/dbraw/zinc/18/92/25/591189225.db2.gz FRSXIALTYOHMAJ-ZDUSSCGKSA-N 0 3 333.388 1.178 20 10 EDCDHN COC(=O)[C@@]1(O)CCN(Cc2c([O-])cccc2Br)C1 ZINC000895702337 591253575 /nfs/dbraw/zinc/25/35/75/591253575.db2.gz NLVWHCRHCCFRAA-CYBMUJFWSA-N 0 3 330.178 1.265 20 10 EDCDHN COC(=O)[C@@]1(O)CC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000895702337 591253577 /nfs/dbraw/zinc/25/35/77/591253577.db2.gz NLVWHCRHCCFRAA-CYBMUJFWSA-N 0 3 330.178 1.265 20 10 EDCDHN COC(=O)[C@@]1(O)CC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000895702337 591253579 /nfs/dbraw/zinc/25/35/79/591253579.db2.gz NLVWHCRHCCFRAA-CYBMUJFWSA-N 0 3 330.178 1.265 20 10 EDCDHN COc1ccc(CNC[C@H](n2cncn2)C(F)(F)F)c(O)c1OC ZINC000895741984 591262660 /nfs/dbraw/zinc/26/26/60/591262660.db2.gz MFZRDGBRKZOFQR-NSHDSACASA-N 0 3 346.309 1.894 20 10 EDCDHN CN(C)c1ccc(CNC(=O)C2CN(C3CCOCC3)C2)cc1F ZINC000895981041 591317214 /nfs/dbraw/zinc/31/72/14/591317214.db2.gz PMARWVQTRRGZAD-UHFFFAOYSA-N 0 3 335.423 1.619 20 10 EDCDHN CN(C)c1ncc(CNC[C@H](c2ccc(N(C)C)cc2)N(C)C)n1C ZINC000898450119 591353454 /nfs/dbraw/zinc/35/34/54/591353454.db2.gz NUWXTUNLUPMTTQ-GOSISDBHSA-N 0 3 344.507 1.945 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)N(C)Cc2nc[nH]n2)N(C)C)cc1 ZINC000899101958 591682675 /nfs/dbraw/zinc/68/26/75/591682675.db2.gz JHAPFTDRHJFBKY-HNNXBMFYSA-N 0 3 345.451 1.315 20 10 EDCDHN CC(C)[C@H](O)CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899100596 591689735 /nfs/dbraw/zinc/68/97/35/591689735.db2.gz AWXSDMJTNLYHLE-IAGOWNOFSA-N 0 3 336.480 1.671 20 10 EDCDHN Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000898151153 591803865 /nfs/dbraw/zinc/80/38/65/591803865.db2.gz GRFNTZJZDBCONY-OAHLLOKOSA-N 0 3 327.432 1.925 20 10 EDCDHN Cc1nnc(CNC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)[nH]1 ZINC000898344624 591879394 /nfs/dbraw/zinc/87/93/94/591879394.db2.gz JLZQPQJAUHSIJX-HNNXBMFYSA-N 0 3 345.451 1.281 20 10 EDCDHN CCOCCNC(=S)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899723781 591920592 /nfs/dbraw/zinc/92/05/92/591920592.db2.gz DSAXRNOTWPSNAA-INIZCTEOSA-N 0 3 338.521 1.856 20 10 EDCDHN COc1ccc(N2CCN(C(=O)C[C@@]3(O)CCCN(C)C3)CC2)cc1 ZINC000899940498 591989744 /nfs/dbraw/zinc/98/97/44/591989744.db2.gz PFTLYSATNHAQIA-IBGZPJMESA-N 0 3 347.459 1.191 20 10 EDCDHN C[C@@H]1C[N@H+](Cc2cc3c(cc2[O-])CCCC3)C[C@H]1CS(N)(=O)=O ZINC000902614466 592026563 /nfs/dbraw/zinc/02/65/63/592026563.db2.gz HXDUUYBCXCYHOH-WBMJQRKESA-N 0 3 338.473 1.627 20 10 EDCDHN C[C@@H]1C[N@@H+](Cc2cc3c(cc2[O-])CCCC3)C[C@H]1CS(N)(=O)=O ZINC000902614466 592026565 /nfs/dbraw/zinc/02/65/65/592026565.db2.gz HXDUUYBCXCYHOH-WBMJQRKESA-N 0 3 338.473 1.627 20 10 EDCDHN C[C@@]1(C2CC[NH+](Cc3cc4c(cc3[O-])OC[C@H]4O)CC2)COC(=O)N1 ZINC000905710277 592619417 /nfs/dbraw/zinc/61/94/17/592619417.db2.gz HTIQHEVAYRNKIF-QAPCUYQASA-N 0 3 348.399 1.529 20 10 EDCDHN CN(C)c1ccc(CN(C[C@H](O)C[C@]2(O)CCOC2)C2CC2)cc1 ZINC000905916231 592681257 /nfs/dbraw/zinc/68/12/57/592681257.db2.gz VGAHWMGFVXNKJR-RTBURBONSA-N 0 3 334.460 1.619 20 10 EDCDHN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C[C@@]1(O)CCCN(C)C1 ZINC000910557446 592877455 /nfs/dbraw/zinc/87/74/55/592877455.db2.gz ASLYGUKPBAAHKI-JXFKEZNVSA-N 0 3 347.503 1.955 20 10 EDCDHN COc1c(F)nccc1C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1 ZINC000911668557 592974498 /nfs/dbraw/zinc/97/44/98/592974498.db2.gz ZTFANICAFMPTEQ-CQSZACIVSA-N 0 3 332.379 1.725 20 10 EDCDHN C[C@H](NC(=O)C(=O)NCC1(N(C)C)CCC1)c1ccc(N(C)C)cc1 ZINC000807028022 593136100 /nfs/dbraw/zinc/13/61/00/593136100.db2.gz QFYOMCKVGVIHMG-AWEZNQCLSA-N 0 3 346.475 1.530 20 10 EDCDHN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000806038958 593182328 /nfs/dbraw/zinc/18/23/28/593182328.db2.gz JSPBVIGVUNJGDV-ZBFHGGJFSA-N 0 3 346.475 1.276 20 10 EDCDHN Cc1cccc(C[N@@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)c1[O-] ZINC000809784212 593358592 /nfs/dbraw/zinc/35/85/92/593358592.db2.gz IRLPCEZVFIDRLM-CQSZACIVSA-N 0 3 338.473 1.994 20 10 EDCDHN Cc1cccc(C[N@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)c1[O-] ZINC000809784212 593358593 /nfs/dbraw/zinc/35/85/93/593358593.db2.gz IRLPCEZVFIDRLM-CQSZACIVSA-N 0 3 338.473 1.994 20 10 EDCDHN Cc1cccc(CN2CCC[C@H](CNS(=O)(=O)C3CC3)C2)c1O ZINC000809784212 593358594 /nfs/dbraw/zinc/35/85/94/593358594.db2.gz IRLPCEZVFIDRLM-CQSZACIVSA-N 0 3 338.473 1.994 20 10 EDCDHN COc1ccc(N2CC[C@H](CNC(=O)CNC[C@H]3CCCO3)C2)cc1 ZINC000818613609 593707936 /nfs/dbraw/zinc/70/79/36/593707936.db2.gz VKYTYUCUZYMIDS-CRAIPNDOSA-N 0 3 347.459 1.406 20 10 EDCDHN Cc1cc(CN)cc(NC(=O)C(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000818638084 593709569 /nfs/dbraw/zinc/70/95/69/593709569.db2.gz PJYVIHLJEPXDDI-UHFFFAOYSA-N 0 3 340.427 1.775 20 10 EDCDHN O=S1(=O)C[C@@H](C[NH2+]Cc2cc3c(cc2[O-])OCO3)c2ccccc21 ZINC000824517467 594029668 /nfs/dbraw/zinc/02/96/68/594029668.db2.gz WAOISNLWOACLLD-GFCCVEGCSA-N 0 3 347.392 1.782 20 10 EDCDHN CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2CCN(C(C)(C)C)C2)cc1 ZINC000826706101 594560517 /nfs/dbraw/zinc/56/05/17/594560517.db2.gz FYZCXUAEEPCJCP-OAHLLOKOSA-N 0 3 346.475 1.358 20 10 EDCDHN CNc1nc(C)cc(C(=O)NC[C@H](N)c2ccc(N(C)C)cc2)n1 ZINC000832283844 594740149 /nfs/dbraw/zinc/74/01/49/594740149.db2.gz CLNUZNQPZONLAB-AWEZNQCLSA-N 0 3 328.420 1.323 20 10 EDCDHN C[C@H](NC(=O)CC(C)(C)C)C(=O)NC[C@H](N)c1ccc(N(C)C)cc1 ZINC000832284389 594740204 /nfs/dbraw/zinc/74/02/04/594740204.db2.gz KDSWUHOJQPRXRZ-BBRMVZONSA-N 0 3 348.491 1.810 20 10 EDCDHN CC(=O)N1CCC[C@@H](C(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)C1 ZINC000832292446 594740625 /nfs/dbraw/zinc/74/06/25/594740625.db2.gz HBFBYHVUQHIGCE-NVXWUHKLSA-N 0 3 332.448 1.127 20 10 EDCDHN COC(=O)[C@@H]1CN(C)CCN(C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000840958651 594832653 /nfs/dbraw/zinc/83/26/53/594832653.db2.gz QZJQBFMDZDLWGJ-FUTAKVPZSA-N 0 3 331.460 1.802 20 10 EDCDHN CSC1(CNC(=O)NCCc2ccc(N)cc2)CCN(C)CC1 ZINC000841914189 594980891 /nfs/dbraw/zinc/98/08/91/594980891.db2.gz SJQILXJKBKBDNR-UHFFFAOYSA-N 0 3 336.505 1.938 20 10 EDCDHN COc1ccc(N2CCCN(C(=O)NC[C@H](C)N(C)C)CC2)cc1 ZINC000836622292 594981005 /nfs/dbraw/zinc/98/10/05/594981005.db2.gz RYBINSMCXIGAGI-HNNXBMFYSA-N 0 3 334.464 1.867 20 10 EDCDHN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](CN)C1CCCC1 ZINC000842262723 595058826 /nfs/dbraw/zinc/05/88/26/595058826.db2.gz GXAVMZWRGMYCKG-INIZCTEOSA-N 0 3 347.459 1.765 20 10 EDCDHN CC(=O)N1CC[C@@](C)(C(=O)NC[C@H](N)c2ccc(N(C)C)cc2)C1 ZINC000843298331 595066152 /nfs/dbraw/zinc/06/61/52/595066152.db2.gz NSYKNQXGGBSIQE-FUHWJXTLSA-N 0 3 332.448 1.127 20 10 EDCDHN Cc1ccc(NC(=O)C(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)cc1 ZINC000843297383 595066313 /nfs/dbraw/zinc/06/63/13/595066313.db2.gz IVXUEVKQOXXSKT-QGZVFWFLSA-N 0 3 340.427 1.816 20 10 EDCDHN COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)C[C@@H]([NH3+])C1CC1 ZINC000843489156 595127162 /nfs/dbraw/zinc/12/71/62/595127162.db2.gz HARVDUCBFJJJSL-CYBMUJFWSA-N 0 3 340.807 1.675 20 10 EDCDHN CCOC[C@H](C)CS(=O)(=O)NC[C@@H](N)c1ccc(N(C)C)cc1 ZINC000842786299 595198020 /nfs/dbraw/zinc/19/80/20/595198020.db2.gz VTIQBXJPYZTYBK-XJKSGUPXSA-N 0 3 343.493 1.344 20 10 EDCDHN CN1C(=O)N[C@]2(CCC[C@@H]2C[NH2+][C@H]2CCc3cccc([O-])c32)C1=O ZINC000834725957 595199147 /nfs/dbraw/zinc/19/91/47/595199147.db2.gz MJLCAYHXKAIOJG-VBHSOAQHSA-N 0 3 329.400 1.690 20 10 EDCDHN CN(C)CCN1C[C@@H](C(=O)NCc2cc(Cl)ccc2O)CC1=O ZINC000846474717 595244701 /nfs/dbraw/zinc/24/47/01/595244701.db2.gz ASBNCLGKJPQCHL-LBPRGKRZSA-N 0 3 339.823 1.072 20 10 EDCDHN COC(=O)CCN1CCC[C@H](N[C@H](C)c2ccc(N(C)C)cc2)C1=O ZINC000849319854 595505619 /nfs/dbraw/zinc/50/56/19/595505619.db2.gz HEURQKSDYYFPMZ-PBHICJAKSA-N 0 3 347.459 1.957 20 10 EDCDHN COc1ccc(N2CC[C@@H](N[C@H](Cc3ccccc3)C(N)=O)C2)cc1 ZINC000849321718 595506031 /nfs/dbraw/zinc/50/60/31/595506031.db2.gz KTWRRMHEGJLMSP-VQIMIIECSA-N 0 3 339.439 1.960 20 10 EDCDHN Nc1ccc(CC(=O)NCc2ccc(CN3CC[C@H](O)C3)cc2)cc1 ZINC000852902560 595606948 /nfs/dbraw/zinc/60/69/48/595606948.db2.gz ICKKIICMNJBYDC-IBGZPJMESA-N 0 3 339.439 1.694 20 10 EDCDHN CN(C)c1cc(F)c(CNCC2(C(N)=O)CCOCC2)cc1F ZINC000858094532 595698165 /nfs/dbraw/zinc/69/81/65/595698165.db2.gz PVFOGYOEPNHGHZ-UHFFFAOYSA-N 0 3 327.375 1.403 20 10 EDCDHN O=C1[C@H](NCc2ccc(N3CCOCC3)cc2)CCN1C1CCC1 ZINC000858341018 595768934 /nfs/dbraw/zinc/76/89/34/595768934.db2.gz VWLVWROOGBEHMN-GOSISDBHSA-N 0 3 329.444 1.766 20 10 EDCDHN C[C@@H]1CC[C@H](NCc2ccc(N3CCOCC3)cc2)CS1(=O)=O ZINC000850367986 595820749 /nfs/dbraw/zinc/82/07/49/595820749.db2.gz GMCAZWQXQDWAAW-ZBFHGGJFSA-N 0 3 338.473 1.579 20 10 EDCDHN COC(=O)[C@@H]1CN(C)CCN(Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862391311 596318749 /nfs/dbraw/zinc/31/87/49/596318749.db2.gz BYPLHGFCRTWENE-CYBMUJFWSA-N 0 3 341.402 1.567 20 10 EDCDHN CCO[C@H](C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1)[C@H]1CCOC1 ZINC000870933585 596411387 /nfs/dbraw/zinc/41/13/87/596411387.db2.gz QMCATLWTXNRPOV-UAGQMJEPSA-N 0 3 335.448 1.310 20 10 EDCDHN Oc1cc2c(cc1CNC[C@H](n1cncn1)C(F)(F)F)OCO2 ZINC000865682833 596649077 /nfs/dbraw/zinc/64/90/77/596649077.db2.gz LTRDSLCAVZVZON-LBPRGKRZSA-N 0 3 330.266 1.606 20 10 EDCDHN CN(CC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)C1CCC1 ZINC000863859147 596706523 /nfs/dbraw/zinc/70/65/23/596706523.db2.gz LZPGMGJCTKSPPR-UHFFFAOYSA-N 0 3 345.487 1.996 20 10 EDCDHN COc1ccc(N2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)c(OC)c1 ZINC000870164308 596782604 /nfs/dbraw/zinc/78/26/04/596782604.db2.gz RVIOKPNMNWQOHZ-GOSISDBHSA-N 0 3 349.475 1.939 20 10 EDCDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2COC[C@@H]2O)c1[O-] ZINC000866421229 596882675 /nfs/dbraw/zinc/88/26/75/596882675.db2.gz YBOMPXIOUUXJOL-ONOSFVFSSA-N 0 3 332.194 1.574 20 10 EDCDHN Cc1cc(C2(C(=O)NC[C@H](N)c3ccc(N(C)C)cc3)CC2)on1 ZINC000876507141 597224304 /nfs/dbraw/zinc/22/43/04/597224304.db2.gz WMSWAWSRRWGUHD-HNNXBMFYSA-N 0 3 328.416 1.897 20 10 EDCDHN COC(=O)c1oc(C(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)cc1C ZINC000876506774 597224353 /nfs/dbraw/zinc/22/43/53/597224353.db2.gz OHTCMLWVNWIDMZ-CQSZACIVSA-N 0 3 345.399 1.870 20 10 EDCDHN CCN(CC)c1ccc(CN(C)C(=O)c2c(CN)cnn2C)cc1 ZINC000876713394 597300499 /nfs/dbraw/zinc/30/04/99/597300499.db2.gz IVUIDOHTENAHAI-UHFFFAOYSA-N 0 3 329.448 1.997 20 10 EDCDHN CN(C)C(=O)NCCN(C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877139885 597440803 /nfs/dbraw/zinc/44/08/03/597440803.db2.gz DZCOOBIUARHGQL-UHFFFAOYSA-N 0 3 334.464 1.351 20 10 EDCDHN O=C1N[C@H]2CN(Cc3ccc(N4CCC(O)CC4)cc3)CC[C@@H]2CO1 ZINC000877607622 597541170 /nfs/dbraw/zinc/54/11/70/597541170.db2.gz FNUVDXPKRQLACG-QAPCUYQASA-N 0 3 345.443 1.578 20 10 EDCDHN COc1cc(Cl)cc(C[NH2+]CCCN2CCCS2(=O)=O)c1[O-] ZINC000877663017 597546075 /nfs/dbraw/zinc/54/60/75/597546075.db2.gz CWWHYNPMLFWEJL-UHFFFAOYSA-N 0 3 348.852 1.569 20 10 EDCDHN COC(=O)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cc(OC)c(OC)cc1[O-] ZINC000877727026 597551526 /nfs/dbraw/zinc/55/15/26/597551526.db2.gz PJKLEYFNARHZLI-MEBBXXQBSA-N 0 3 325.361 1.077 20 10 EDCDHN CNS(=O)(=O)c1ccc(CC[NH2+]Cc2cccc(C)c2[O-])cc1 ZINC000877735102 597551960 /nfs/dbraw/zinc/55/19/60/597551960.db2.gz HWGNIRJODLWSIA-UHFFFAOYSA-N 0 3 334.441 1.941 20 10 EDCDHN C[C@@H]([NH2+]CC(=O)N1CCN(Cc2ccco2)CC1)c1ccccc1[O-] ZINC000879648249 597673821 /nfs/dbraw/zinc/67/38/21/597673821.db2.gz GPPMXKUETBFGGG-OAHLLOKOSA-N 0 3 343.427 1.980 20 10 EDCDHN CCOC(=O)[C@H]1CCCN(C(=O)C[NH2+][C@@H](C)c2ccccc2[O-])C1 ZINC000879651652 597674662 /nfs/dbraw/zinc/67/46/62/597674662.db2.gz FMLRGOQNAXTKON-KBPBESRZSA-N 0 3 334.416 1.845 20 10 EDCDHN CN(C)c1ccc(CN2CCN(C(=O)CN3CCCC3)CC2)cc1F ZINC000131154481 597676249 /nfs/dbraw/zinc/67/62/49/597676249.db2.gz DTDZFYCAZSRBNX-UHFFFAOYSA-N 0 3 348.466 1.632 20 10 EDCDHN CN1CCN(c2ccc(CNC(=O)CCCn3ccnc3)cc2)CC1 ZINC000881850823 597753870 /nfs/dbraw/zinc/75/38/70/597753870.db2.gz HIMFKIBFZPBDKJ-UHFFFAOYSA-N 0 3 341.459 1.732 20 10 EDCDHN COc1ccc(N2CCN(C(=O)CN3[C@@H](C)CC[C@H]3CO)CC2)cc1 ZINC000880441557 597936228 /nfs/dbraw/zinc/93/62/28/597936228.db2.gz ZYIGTJTZFUNGHH-RDJZCZTQSA-N 0 3 347.459 1.189 20 10 EDCDHN COc1ccc(N2CC[C@@H](NCc3cnc4n3CCOC4)C2)cc1 ZINC000922238066 710492414 /nfs/dbraw/zinc/49/24/14/710492414.db2.gz PZRKDWATEFCBOI-CQSZACIVSA-N 0 3 328.416 1.790 20 10 EDCDHN COCCN(C)CCNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000126712532 237177234 /nfs/dbraw/zinc/17/72/34/237177234.db2.gz ZXBMDTMHKZZVTL-UHFFFAOYSA-N 0 3 332.448 1.440 20 10 EDCDHN COC(=O)[C@]12CN(Cc3ccc(N(C)C)c(F)c3)C[C@H]1COCC2 ZINC000373486842 250238395 /nfs/dbraw/zinc/23/83/95/250238395.db2.gz UBGZSZBFIMENLU-KBXCAEBGSA-N 0 3 336.407 1.903 20 10 EDCDHN CN1CCCN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)CC1 ZINC000114675601 441673752 /nfs/dbraw/zinc/67/37/52/441673752.db2.gz HNQQQHZSDWYBHM-VMPITWQZSA-N 0 3 329.444 1.701 20 10 EDCDHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)c1 ZINC000179894351 442516340 /nfs/dbraw/zinc/51/63/40/442516340.db2.gz OFEFNJQBFULZIV-HNNXBMFYSA-N 0 3 348.443 1.862 20 10 EDCDHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)c1 ZINC000179894351 442516344 /nfs/dbraw/zinc/51/63/44/442516344.db2.gz OFEFNJQBFULZIV-HNNXBMFYSA-N 0 3 348.443 1.862 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1C[C@@H]3[C@H](C1)C3(C)C)cc2=O ZINC000172971262 442574718 /nfs/dbraw/zinc/57/47/18/442574718.db2.gz IHNHYZRMGAPCRM-BETUJISGSA-N 0 3 330.388 1.699 20 10 EDCDHN COC[C@H](NCC(=O)N1CCN(c2ccc(OC)cc2)CC1)C1CC1 ZINC000181576796 442705110 /nfs/dbraw/zinc/70/51/10/442705110.db2.gz YFCQLPBVGKHIQA-SFHVURJKSA-N 0 3 347.459 1.358 20 10 EDCDHN COc1ccc([O-])c(C[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)c1 ZINC000182631105 442798688 /nfs/dbraw/zinc/79/86/88/442798688.db2.gz LUDQUSIIJSPXJA-UHFFFAOYSA-N 0 3 340.445 1.447 20 10 EDCDHN COC[C@H]1CCN(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000265744406 442904231 /nfs/dbraw/zinc/90/42/31/442904231.db2.gz CXXKZXSLHZFSEJ-INIZCTEOSA-N 0 3 347.459 1.312 20 10 EDCDHN CC[C@@H](CO)N1CCN(Cc2cc(Cl)cc(OC)c2O)CC1 ZINC000184699789 443061826 /nfs/dbraw/zinc/06/18/26/443061826.db2.gz UDQOJMXEZCUGOF-AWEZNQCLSA-N 0 3 328.840 1.943 20 10 EDCDHN CN(CCNC(=O)NCc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000264882041 443465582 /nfs/dbraw/zinc/46/55/82/443465582.db2.gz RBFURTXDWCSTMR-UHFFFAOYSA-N 0 3 332.448 1.417 20 10 EDCDHN Cc1cccc(CN2CCN(c3ccc(C(N)=O)cn3)CC2)c1O ZINC000271727611 443510802 /nfs/dbraw/zinc/51/08/02/443510802.db2.gz MDQGTPMYSGYACG-UHFFFAOYSA-N 0 3 326.400 1.517 20 10 EDCDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H](O)CN2CCCCC2)c1 ZINC000273409668 443571415 /nfs/dbraw/zinc/57/14/15/443571415.db2.gz PJHDXQZPSCZERZ-ZFWWWQNUSA-N 0 3 336.432 1.676 20 10 EDCDHN COC(=O)c1ccc([O-])c([C@H](C)NC[C@H](O)C[NH+]2CCCCC2)c1 ZINC000273409668 443571416 /nfs/dbraw/zinc/57/14/16/443571416.db2.gz PJHDXQZPSCZERZ-ZFWWWQNUSA-N 0 3 336.432 1.676 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@H](C)[C@H]1CCCO1)cc2=O ZINC000273421848 443571547 /nfs/dbraw/zinc/57/15/47/443571547.db2.gz RHCVJHKSMUFHCK-ZWNOBZJWSA-N 0 3 334.376 1.269 20 10 EDCDHN COc1cccc(C[NH2+]C[C@@H]2C[C@H](F)CN2Cc2nccn2C)c1[O-] ZINC000279802744 443629986 /nfs/dbraw/zinc/62/99/86/443629986.db2.gz DPBGFIJOTPPNRH-GJZGRUSLSA-N 0 3 348.422 1.837 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN(C)[C@H](C)C(C)(C)O)cc2=O ZINC000295118097 444165817 /nfs/dbraw/zinc/16/58/17/444165817.db2.gz IKIKUDQAUPCXME-SNVBAGLBSA-N 0 3 336.392 1.203 20 10 EDCDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)c1 ZINC000289649472 444186163 /nfs/dbraw/zinc/18/61/63/444186163.db2.gz MSINCTCOVWJAHO-PXAZEXFGSA-N 0 3 333.388 1.353 20 10 EDCDHN COc1ccc([O-])c(C[N@H+]2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)c1 ZINC000289649472 444186165 /nfs/dbraw/zinc/18/61/65/444186165.db2.gz MSINCTCOVWJAHO-PXAZEXFGSA-N 0 3 333.388 1.353 20 10 EDCDHN CN(C)c1ccc(C[N@@H+]2CCC[C@@H]2C[C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000289969842 444225272 /nfs/dbraw/zinc/22/52/72/444225272.db2.gz ZJSUFWVYIWOLMX-CRAIPNDOSA-N 0 3 330.432 1.705 20 10 EDCDHN CN(C)c1ccc(C[N@H+]2CCC[C@@H]2C[C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000289969842 444225273 /nfs/dbraw/zinc/22/52/73/444225273.db2.gz ZJSUFWVYIWOLMX-CRAIPNDOSA-N 0 3 330.432 1.705 20 10 EDCDHN CN1CCc2cc(CN[C@@H]3CCCN(S(=O)(=O)C4CC4)C3)ccc21 ZINC000375767629 447034134 /nfs/dbraw/zinc/03/41/34/447034134.db2.gz GZAARPQOLZNGES-MRXNPFEDSA-N 0 3 349.500 1.725 20 10 EDCDHN CCN(CC)C(=O)CN1CCCN(Cc2cccc(OC)c2O)CC1 ZINC000129247682 528019911 /nfs/dbraw/zinc/01/99/11/528019911.db2.gz LLCLQGUQFYZJLE-UHFFFAOYSA-N 0 3 349.475 1.777 20 10 EDCDHN COc1cc(Br)cc(C[NH2+]C[C@]2(O)CCN(C)C2)c1[O-] ZINC000762567291 578655962 /nfs/dbraw/zinc/65/59/62/578655962.db2.gz CSUDJMSLDPRJDY-CQSZACIVSA-N 0 3 345.237 1.320 20 10 EDCDHN COC(=O)c1cn([C@@H]2CCN(Cc3c(O)cccc3OC)C2)nn1 ZINC000761225994 580052242 /nfs/dbraw/zinc/05/22/42/580052242.db2.gz LTXFBYODTPNZLY-LLVKDONJSA-N 0 3 332.360 1.226 20 10 EDCDHN COc1cccc([O-])c1C[NH2+]C[C@H]1CCC[C@@]12NC(=O)N(C)C2=O ZINC000748098420 579669475 /nfs/dbraw/zinc/66/94/75/579669475.db2.gz CFNZOYHIVAWCSB-PIGZYNQJSA-N 0 3 333.388 1.211 20 10 EDCDHN C[C@@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@H]1CCCO1 ZINC000753664913 579884597 /nfs/dbraw/zinc/88/45/97/579884597.db2.gz RANVMUKBMBTQPX-RHSMWYFYSA-N 0 3 338.473 1.579 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@@H](COC)C(C)C)cc2=O ZINC000754372030 579902039 /nfs/dbraw/zinc/90/20/39/579902039.db2.gz AAYCDRYXAVZKNU-ZDUSSCGKSA-N 0 3 336.392 1.372 20 10 EDCDHN CNC(=O)CN1CCC([NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)CC1 ZINC000756402581 579949412 /nfs/dbraw/zinc/94/94/12/579949412.db2.gz VGDNCTDXJJNSKI-SMDDNHRTSA-N 0 3 335.423 1.880 20 10 EDCDHN C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768461842 580213713 /nfs/dbraw/zinc/21/37/13/580213713.db2.gz GCHUZXSDOVXQGL-HAYUQVRISA-N 0 3 348.443 1.502 20 10 EDCDHN COc1cccc(O)c1CN1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000772602190 580316656 /nfs/dbraw/zinc/31/66/56/580316656.db2.gz WXNIUIDFZURTKY-LBPRGKRZSA-N 0 3 328.434 1.162 20 10 EDCDHN CCN(C)c1ccc(CN2CCN(CCC(=O)N(C)C)CC2)cc1 ZINC000773766598 580345703 /nfs/dbraw/zinc/34/57/03/580345703.db2.gz TYOWXQUHCBWVKL-UHFFFAOYSA-N 0 3 332.492 1.739 20 10 EDCDHN CCOc1ccc(C[NH2+][C@H]2CCOC[C@@H]2OCCOC)c([O-])c1 ZINC000776812610 580429419 /nfs/dbraw/zinc/42/94/19/580429419.db2.gz LULVMYVJKXHMOL-RDJZCZTQSA-N 0 3 325.405 1.701 20 10 EDCDHN CCOc1cccc(C[NH2+][C@@H]2CCOC[C@@H]2OCCOC)c1[O-] ZINC000776812827 580429555 /nfs/dbraw/zinc/42/95/55/580429555.db2.gz NLDQUOBDEVOQBO-ZBFHGGJFSA-N 0 3 325.405 1.701 20 10 EDCDHN CC[C@@H]1C(=O)N(CC)CCN1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000779214615 580481272 /nfs/dbraw/zinc/48/12/72/580481272.db2.gz CKWDOWUGOJEYMA-LJQANCHMSA-N 0 3 344.503 1.881 20 10 EDCDHN CN(C)C(=O)CC1CC[NH+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000781148689 580543261 /nfs/dbraw/zinc/54/32/61/580543261.db2.gz NJZDPVXYUGXYHL-MRXNPFEDSA-N 0 3 334.416 1.508 20 10 EDCDHN CN(C)c1ccc(CN(C)C(=O)CN2CC[C@@H]3CN(C)C[C@H]32)cc1 ZINC000794926600 580908336 /nfs/dbraw/zinc/90/83/36/580908336.db2.gz CNEOEYDLLRBDHT-SJLPKXTDSA-N 0 3 330.476 1.347 20 10 EDCDHN COc1ccc(CN2CCN([C@@H]3CCC[C@@H]3O)CC2)c(O)c1OC ZINC000891925028 590691797 /nfs/dbraw/zinc/69/17/97/590691797.db2.gz QSIWPTKRAHBRSZ-CABCVRRESA-N 0 3 336.432 1.440 20 10 EDCDHN COc1ccc(C[N@@H+]2CC[C@H](CN3CCOCC3)C2)c([O-])c1OC ZINC000892115698 590807565 /nfs/dbraw/zinc/80/75/65/590807565.db2.gz RLRVIBRGULZPPV-CQSZACIVSA-N 0 3 336.432 1.564 20 10 EDCDHN COc1ccc(C[N@H+]2CC[C@H](CN3CCOCC3)C2)c([O-])c1OC ZINC000892115698 590807570 /nfs/dbraw/zinc/80/75/70/590807570.db2.gz RLRVIBRGULZPPV-CQSZACIVSA-N 0 3 336.432 1.564 20 10 EDCDHN COc1ccc(CN2CCC(Cn3ccnn3)CC2)c(O)c1OC ZINC000892242302 590883180 /nfs/dbraw/zinc/88/31/80/590883180.db2.gz PUFMIHJOVGROCV-UHFFFAOYSA-N 0 3 332.404 1.913 20 10 EDCDHN C[C@H](CCCO)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000893590967 590994959 /nfs/dbraw/zinc/99/49/59/590994959.db2.gz ROLHZHWVITURTF-RHSMWYFYSA-N 0 3 336.480 1.816 20 10 EDCDHN CCN1CCN(c2ccc(CNc3ccncc3CO)cc2F)CC1 ZINC000892402852 591012770 /nfs/dbraw/zinc/01/27/70/591012770.db2.gz SNHOXTAEKAHQGQ-UHFFFAOYSA-N 0 3 344.434 1.889 20 10 EDCDHN COC(=O)N(C)CC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891256245 591022318 /nfs/dbraw/zinc/02/23/18/591022318.db2.gz WEUKFDJXXKSZQN-OAHLLOKOSA-N 0 3 336.436 1.170 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)C2(n3cccn3)CC2)N(C)C)cc1 ZINC000891257501 591022664 /nfs/dbraw/zinc/02/26/64/591022664.db2.gz HRCFJDFTBAJXRJ-KRWDZBQOSA-N 0 3 341.459 1.857 20 10 EDCDHN COc1ccc(C[NH2+][C@@H]2CCCN(c3ncccn3)C2)c([O-])c1OC ZINC000892609869 591094323 /nfs/dbraw/zinc/09/43/23/591094323.db2.gz CJWALISQADIASY-CQSZACIVSA-N 0 3 344.415 1.958 20 10 EDCDHN COc1ccc(N2CCC(N[C@H]3CS(=O)(=O)C3(C)C)CC2)cc1 ZINC000895981767 591317632 /nfs/dbraw/zinc/31/76/32/591317632.db2.gz JFLJKBSORQHIQN-INIZCTEOSA-N 0 3 338.473 1.829 20 10 EDCDHN COCCn1cc(CNC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cn1 ZINC000898450145 591353694 /nfs/dbraw/zinc/35/36/94/591353694.db2.gz OMXHCWPQOUYLOZ-IBGZPJMESA-N 0 3 345.491 1.988 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)NCc2cncn2C)N(C)C)cc1 ZINC000894912513 591472010 /nfs/dbraw/zinc/47/20/10/591472010.db2.gz DWEYHEDYHKRVRT-QGZVFWFLSA-N 0 3 344.463 1.588 20 10 EDCDHN CN(C)c1cc(NCc2ccc(N3CCN(C)CC3)cc2)ncn1 ZINC000895144464 591616045 /nfs/dbraw/zinc/61/60/45/591616045.db2.gz KGKONGVAEUXJSZ-UHFFFAOYSA-N 0 3 326.448 1.907 20 10 EDCDHN COc1ccc(C[NH2+]CC[S@](=O)CC(F)(F)F)c([O-])c1OC ZINC000895313541 591710470 /nfs/dbraw/zinc/71/04/70/591710470.db2.gz JOOVBJVNEAVUDQ-QFIPXVFZSA-N 0 3 341.351 1.810 20 10 EDCDHN COC(=O)c1c(CNC[C@H]2COCCN2C)c2cc(F)ccc2n1C ZINC000895401899 591743668 /nfs/dbraw/zinc/74/36/68/591743668.db2.gz DHKCXWWSCYBLEY-ZDUSSCGKSA-N 0 3 349.406 1.524 20 10 EDCDHN O=C1N[C@@H](C2CC[NH+](Cc3cc4c(cc3[O-])OC[C@@H]4O)CC2)CO1 ZINC000902514228 592008161 /nfs/dbraw/zinc/00/81/61/592008161.db2.gz MRMXFNKPQUZPTR-HIFRSBDPSA-N 0 3 334.372 1.138 20 10 EDCDHN COc1cccc([C@H](C)NC[C@]2(OC)CCS(=O)(=O)C2)c1O ZINC000903362482 592158523 /nfs/dbraw/zinc/15/85/23/592158523.db2.gz GHBGVKZYXZAJKQ-XHDPSFHLSA-N 0 3 329.418 1.255 20 10 EDCDHN C[C@@](O)(CNCc1ccc(N2CCC(O)CC2)c(F)c1)C(F)F ZINC000905146208 592437545 /nfs/dbraw/zinc/43/75/45/592437545.db2.gz QZBRCDFSDYOOED-MRXNPFEDSA-N 0 3 332.366 1.893 20 10 EDCDHN Cn1ccc([C@H]2CCC[N@H+](Cc3cc4c(cc3[O-])OC[C@@H]4O)C2)n1 ZINC000905716794 592622298 /nfs/dbraw/zinc/62/22/98/592622298.db2.gz WXMSAOYJIGCDHT-SJCJKPOMSA-N 0 3 329.400 1.931 20 10 EDCDHN Cn1ccc([C@H]2CCC[N@@H+](Cc3cc4c(cc3[O-])OC[C@@H]4O)C2)n1 ZINC000905716794 592622300 /nfs/dbraw/zinc/62/23/00/592622300.db2.gz WXMSAOYJIGCDHT-SJCJKPOMSA-N 0 3 329.400 1.931 20 10 EDCDHN Cc1sc(CN)nc1C(=O)NC[C@H](N)c1ccc(N(C)C)cc1 ZINC000911668277 592974303 /nfs/dbraw/zinc/97/43/03/592974303.db2.gz XOSAMKIXNVAMHK-ZDUSSCGKSA-N 0 3 333.461 1.406 20 10 EDCDHN CNC(=O)[C@H]1CC[N@H+](Cc2c([O-])c(C(=O)OC)cc3ccccc32)C1 ZINC000817369481 593596514 /nfs/dbraw/zinc/59/65/14/593596514.db2.gz AVDXFULKNRAKCC-ZDUSSCGKSA-N 0 3 342.395 1.900 20 10 EDCDHN CNC(=O)[C@H]1CC[N@@H+](Cc2c([O-])c(C(=O)OC)cc3ccccc32)C1 ZINC000817369481 593596515 /nfs/dbraw/zinc/59/65/15/593596515.db2.gz AVDXFULKNRAKCC-ZDUSSCGKSA-N 0 3 342.395 1.900 20 10 EDCDHN CCN(CC)c1ccc(CN(C)C(=O)[C@H](N)CCC(=O)OC)cc1 ZINC000826020351 594307613 /nfs/dbraw/zinc/30/76/13/594307613.db2.gz RTIGTGMBIULCBE-MRXNPFEDSA-N 0 3 335.448 1.772 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)CS(=O)(=O)C(C)(C)C)cc1 ZINC000832266678 594739049 /nfs/dbraw/zinc/73/90/49/594739049.db2.gz HXXPMLCYDLOKTI-AWEZNQCLSA-N 0 3 341.477 1.082 20 10 EDCDHN COC(=O)[C@H]1CC[C@H](C(=O)NC[C@H](N)c2ccc(N(C)C)cc2)CC1 ZINC000832286321 594740458 /nfs/dbraw/zinc/74/04/58/594740458.db2.gz XZTONOCTXVKOIB-ZOBUZTSGSA-N 0 3 347.459 1.848 20 10 EDCDHN COc1cc([O-])c(C[NH2+]CC2(CS(C)(=O)=O)CCC2)cc1OC ZINC000840974676 594834502 /nfs/dbraw/zinc/83/45/02/594834502.db2.gz DWKCDPAGTGGVER-UHFFFAOYSA-N 0 3 343.445 1.714 20 10 EDCDHN CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc(N)cc1)Cc1ccccc1 ZINC000841001952 594837562 /nfs/dbraw/zinc/83/75/62/594837562.db2.gz XOZXXZUOBKUNGI-QGZVFWFLSA-N 0 3 340.427 1.496 20 10 EDCDHN C[C@H](NC(=O)N1C[C@@H](C)NC[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000841740022 594945810 /nfs/dbraw/zinc/94/58/10/594945810.db2.gz DEGPMLKOHVLGCS-PMPSAXMXSA-N 0 3 346.475 1.976 20 10 EDCDHN COc1c([O-])c(CN2C[C@H](C)N(CCO)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000841890387 594975023 /nfs/dbraw/zinc/97/50/23/594975023.db2.gz AKFMJIQBMJRZSN-NWDGAFQWSA-N 0 3 339.392 1.196 20 10 EDCDHN COc1c([O-])c(CN2C[C@H](C)[N@H+](CCO)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000841890387 594975024 /nfs/dbraw/zinc/97/50/24/594975024.db2.gz AKFMJIQBMJRZSN-NWDGAFQWSA-N 0 3 339.392 1.196 20 10 EDCDHN COc1c([O-])c(CN2C[C@H](C)[N@@H+](CCO)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000841890387 594975025 /nfs/dbraw/zinc/97/50/25/594975025.db2.gz AKFMJIQBMJRZSN-NWDGAFQWSA-N 0 3 339.392 1.196 20 10 EDCDHN [NH3+]C1(CNC(=O)NCc2cc(Br)ccc2[O-])CCC1 ZINC000841966682 594991128 /nfs/dbraw/zinc/99/11/28/594991128.db2.gz FNYJDZJTALMGPL-UHFFFAOYSA-N 0 3 328.210 1.835 20 10 EDCDHN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H](CN)CC(C)C ZINC000842152257 595024223 /nfs/dbraw/zinc/02/42/23/595024223.db2.gz FNVVSPHVWPTPLD-OAHLLOKOSA-N 0 3 334.464 1.167 20 10 EDCDHN O=C(NC1CNC1)C(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000842234955 595048054 /nfs/dbraw/zinc/04/80/54/595048054.db2.gz ISZWFXMZSTUCHG-UHFFFAOYSA-N 0 3 331.416 1.142 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNC(=O)c2cc(C(N)=O)cs2)cc1 ZINC000843299858 595066932 /nfs/dbraw/zinc/06/69/32/595066932.db2.gz YAGGMEVOUGPUNY-CYBMUJFWSA-N 0 3 332.429 1.343 20 10 EDCDHN COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000843489020 595127250 /nfs/dbraw/zinc/12/72/50/595127250.db2.gz AVQRWAFFIMZDAS-UWVGGRQHSA-N 0 3 328.796 1.531 20 10 EDCDHN COc1cccc([C@H](C)[NH2+]C[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)c1[O-] ZINC000846161436 595162320 /nfs/dbraw/zinc/16/23/20/595162320.db2.gz ZCBSWIUBHAEGMN-OAVHHTNSSA-N 0 3 347.415 1.772 20 10 EDCDHN C[C@@H](NCc1cc2c(cc1O)OCO2)C(=O)NCCc1ccccc1 ZINC000835072184 595257473 /nfs/dbraw/zinc/25/74/73/595257473.db2.gz CJROLYJBLWPTCN-CYBMUJFWSA-N 0 3 342.395 1.958 20 10 EDCDHN N[C@@H](CC(F)F)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000844174309 595292081 /nfs/dbraw/zinc/29/20/81/595292081.db2.gz VEJICJTUYXFKRQ-HNNXBMFYSA-N 0 3 341.402 1.494 20 10 EDCDHN NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CCCCN3)cc2)C1 ZINC000844175817 595292439 /nfs/dbraw/zinc/29/24/39/595292439.db2.gz JWTKITFLYFSVFE-RDJZCZTQSA-N 0 3 344.459 1.147 20 10 EDCDHN NC[C@H](NC(=O)NCc1ccc(N2CCCC2)cc1)C(F)(F)F ZINC000848595566 595413500 /nfs/dbraw/zinc/41/35/00/595413500.db2.gz LXJDNKAIANSZMF-ZDUSSCGKSA-N 0 3 330.354 1.976 20 10 EDCDHN Cc1ccncc1S(=O)(=O)NC[C@H](N)c1ccc(N(C)C)cc1 ZINC000850586899 595539360 /nfs/dbraw/zinc/53/93/60/595539360.db2.gz JZMUNCMBCYCXLM-HNNXBMFYSA-N 0 3 334.445 1.434 20 10 EDCDHN CN(C)c1ccc(CN(C)C(=O)CN2CC[C@@H]3CC[C@@H](O)[C@@H]32)cc1 ZINC000860125883 595588782 /nfs/dbraw/zinc/58/87/82/595588782.db2.gz DCTBUWNCFGAILQ-KVSKMBFKSA-N 0 3 331.460 1.556 20 10 EDCDHN CNS(=O)(=O)C[C@@H]1CCCN(Cc2ccc(N(C)C)cc2)C1 ZINC000860194857 595609154 /nfs/dbraw/zinc/60/91/54/595609154.db2.gz YTIOGYOOXBWLGJ-OAHLLOKOSA-N 0 3 325.478 1.514 20 10 EDCDHN COc1ccc(N2CC[C@H](NC(=O)C[C@H]3CSCCN3)C2)cc1 ZINC000851640556 595864854 /nfs/dbraw/zinc/86/48/54/595864854.db2.gz YBKUIHYKFYMKLH-KBPBESRZSA-N 0 3 335.473 1.485 20 10 EDCDHN COc1ccc(N2CC[C@@H](NC(=O)C[C@H]3CSCCN3)C2)cc1 ZINC000851640557 595865104 /nfs/dbraw/zinc/86/51/04/595865104.db2.gz YBKUIHYKFYMKLH-KGLIPLIRSA-N 0 3 335.473 1.485 20 10 EDCDHN C[C@H](NCCN1C(=O)CN(C)C1=O)c1ccc(N2CCOCC2)cc1 ZINC000851898666 595967961 /nfs/dbraw/zinc/96/79/61/595967961.db2.gz XAPKOSKLDIXUGM-AWEZNQCLSA-N 0 3 346.431 1.068 20 10 EDCDHN [O-]c1ccc(F)cc1C[NH2+][C@H]1CCN(c2ccc3nncn3n2)C1 ZINC000862482519 596334736 /nfs/dbraw/zinc/33/47/36/596334736.db2.gz UWLIUGAPOQWVCB-ZDUSSCGKSA-N 0 3 328.351 1.338 20 10 EDCDHN CN(C)CCn1cc(C(=O)NCc2ccc(N(C)C)c(F)c2)cn1 ZINC000865051051 596455419 /nfs/dbraw/zinc/45/54/19/596455419.db2.gz IDFPRYMWFNBBON-UHFFFAOYSA-N 0 3 333.411 1.580 20 10 EDCDHN COc1ccc(N2CCN(C(=O)CN(C)C(C)C)CC2)c(OC)c1 ZINC000870163791 596782594 /nfs/dbraw/zinc/78/25/94/596782594.db2.gz GHXWDZSAHCMYFL-UHFFFAOYSA-N 0 3 335.448 1.693 20 10 EDCDHN COc1ccc(CNC[C@@H]2CN(C)CCN2C)cc1Cn1cccn1 ZINC000873051232 597171942 /nfs/dbraw/zinc/17/19/42/597171942.db2.gz FWMQDSJSNWHZAP-GOSISDBHSA-N 0 3 343.475 1.275 20 10 EDCDHN C[C@@H]1C[C@@H]1N1C[C@H](NCc2ccc(N3CCC(O)CC3)cc2)CC1=O ZINC000877064350 597425136 /nfs/dbraw/zinc/42/51/36/597425136.db2.gz RZGDBMMEOCJIOX-OGWOLHLISA-N 0 3 343.471 1.747 20 10 EDCDHN COc1ccc(O)c(CN2CCc3c(CC(N)=O)cccc3C2)c1 ZINC000877679927 597547288 /nfs/dbraw/zinc/54/72/88/597547288.db2.gz MOGCDLUVSLZJBU-UHFFFAOYSA-N 0 3 326.396 1.987 20 10 EDCDHN C[C@H]([NH2+]CC(=O)N1CCN(c2cnccn2)CC1)c1ccccc1[O-] ZINC000879650935 597674996 /nfs/dbraw/zinc/67/49/96/597674996.db2.gz YMXHGYBECSRFCM-AWEZNQCLSA-N 0 3 341.415 1.182 20 10 EDCDHN CC[C@@H](CN1CC(CNC(=O)c2ccc(N=NC(N)=O)cc2)C1)OC ZINC001032218787 704616470 /nfs/dbraw/zinc/61/64/70/704616470.db2.gz DJCIIAFQGUDBRZ-HNNXBMFYSA-N 0 3 347.419 1.936 20 10 EDCDHN CN(C)[C@H]1CCCN(C(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000105179499 237063657 /nfs/dbraw/zinc/06/36/57/237063657.db2.gz OZZWOPWIBNHUDI-SFHVURJKSA-N 0 3 346.475 1.759 20 10 EDCDHN C[C@H]([NH2+]C[C@@H]1CC(=O)N(C)[C@H]1c1cnn(C)c1)c1ccccc1[O-] ZINC000372886965 250227385 /nfs/dbraw/zinc/22/73/85/250227385.db2.gz ZTLJICWJCCSTBH-ZJNRKIDTSA-N 0 3 328.416 1.996 20 10 EDCDHN C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1NC(=O)Cc1ccc(N)cc1 ZINC000378206154 250298320 /nfs/dbraw/zinc/29/83/20/250298320.db2.gz PDTIGDSWYNFDJK-JLSDUUJJSA-N 0 3 331.460 1.817 20 10 EDCDHN NC(=O)c1cccc(CNCc2ccc(N3CCOCC3)cc2)c1 ZINC000078967062 442000531 /nfs/dbraw/zinc/00/05/31/442000531.db2.gz LGYGEGHCVWEGOJ-UHFFFAOYSA-N 0 3 325.412 1.912 20 10 EDCDHN CN(C)c1ccc(CN(Cc2cn(C)c(=O)n(C)c2=O)C2CC2)cc1 ZINC000271058357 443488487 /nfs/dbraw/zinc/48/84/87/443488487.db2.gz VFATUHDNTYNTBJ-UHFFFAOYSA-N 0 3 342.443 1.315 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCC[C@@H]1C[C@H](C)O)cc2=O ZINC000269850616 443454261 /nfs/dbraw/zinc/45/42/61/443454261.db2.gz TWVCJFCKKOGQQA-WCQYABFASA-N 0 3 348.403 1.347 20 10 EDCDHN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCCN2CCN(C)CC2)c1 ZINC000273432954 443572771 /nfs/dbraw/zinc/57/27/71/443572771.db2.gz WIMJEQMQCJTESS-CQSZACIVSA-N 0 3 335.448 1.467 20 10 EDCDHN CN(C)c1ccc(C[N@@H+]2CCC[C@@H]2C[C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000289969848 444225050 /nfs/dbraw/zinc/22/50/50/444225050.db2.gz ZJSUFWVYIWOLMX-QAPCUYQASA-N 0 3 330.432 1.705 20 10 EDCDHN CN(C)c1ccc(C[N@H+]2CCC[C@@H]2C[C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000289969848 444225052 /nfs/dbraw/zinc/22/50/52/444225052.db2.gz ZJSUFWVYIWOLMX-QAPCUYQASA-N 0 3 330.432 1.705 20 10 EDCDHN COc1cc(O)c(CN[C@H]2COc3ccccc3[C@H]2O)cc1OC ZINC000290117549 444244923 /nfs/dbraw/zinc/24/49/23/444244923.db2.gz IRKSADIPAPDWDC-SCLBCKFNSA-N 0 3 331.368 1.994 20 10 EDCDHN COc1ccc(O)c(CNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c1 ZINC000365281498 446122842 /nfs/dbraw/zinc/12/28/42/446122842.db2.gz VTULHRRDDIKZHX-DZGCQCFKSA-N 0 3 335.404 1.063 20 10 EDCDHN CN(C)c1ccc(CN(C)C(=O)CN2CC[C@H]3CCN(C)[C@@H]3C2)cc1 ZINC000375039451 446534903 /nfs/dbraw/zinc/53/49/03/446534903.db2.gz NANSKZLAWUMODX-IEBWSBKVSA-N 0 3 344.503 1.737 20 10 EDCDHN CCOc1ccc([O-])c(C[NH2+][C@@H]2CCC(=O)N[C@H]2[C@H]2CCCO2)c1 ZINC000368081845 446628500 /nfs/dbraw/zinc/62/85/00/446628500.db2.gz PUHWPQVKGHBZIH-QGPMSJSTSA-N 0 3 334.416 1.707 20 10 EDCDHN CN(C)c1ccc(CNC(=O)CN2CC[C@@H](O)C23CCCC3)cc1 ZINC000298336188 522192253 /nfs/dbraw/zinc/19/22/53/522192253.db2.gz LUHCTLWBZDYRRA-QGZVFWFLSA-N 0 3 331.460 1.748 20 10 EDCDHN CCN(C)c1ccc([C@@H](C)NCCOCCS(C)(=O)=O)cc1 ZINC000090103440 527869999 /nfs/dbraw/zinc/86/99/99/527869999.db2.gz JEPNRELLCYMZNX-CQSZACIVSA-N 0 3 328.478 1.855 20 10 EDCDHN COCCO[C@@H]1COCC[C@H]1[NH2+]Cc1cc(OC)c(OC)cc1[O-] ZINC000777221061 580437491 /nfs/dbraw/zinc/43/74/91/580437491.db2.gz YNPAGATYTBMBHR-CXAGYDPISA-N 0 3 341.404 1.320 20 10 EDCDHN COc1cc(C)cc(CN2CCN([C@H]3CCCN(C)C3)CC2)c1O ZINC000754732932 579910384 /nfs/dbraw/zinc/91/03/84/579910384.db2.gz XIBVCAXDEXMUKK-KRWDZBQOSA-N 0 3 333.476 1.921 20 10 EDCDHN Cn1ccc(CNCc2ccc(N3CCS(=O)(=O)CC3)cc2)c1 ZINC000763471424 580100560 /nfs/dbraw/zinc/10/05/60/580100560.db2.gz AGRDKJWVAPYZLS-UHFFFAOYSA-N 0 3 333.457 1.550 20 10 EDCDHN COc1cc(CN2CCC[C@H](CNS(C)(=O)=O)C2)c(O)cc1C ZINC000768439864 580212752 /nfs/dbraw/zinc/21/27/52/580212752.db2.gz OGMCWFQIAWVBII-CYBMUJFWSA-N 0 3 342.461 1.470 20 10 EDCDHN [O-]c1cc2c(cc1C[NH+]1CCC(OC[C@@H]3CCCO3)CC1)[C@@H](O)CO2 ZINC000768463015 580213838 /nfs/dbraw/zinc/21/38/38/580213838.db2.gz DZNKDKIRJJBEID-YJBOKZPZSA-N 0 3 349.427 1.978 20 10 EDCDHN COCCN1CC[C@H](NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000773315278 580333696 /nfs/dbraw/zinc/33/36/96/580333696.db2.gz PIPVCVFGQDUFSW-HOCLYGCPSA-N 0 3 334.464 1.834 20 10 EDCDHN COC(=O)CCCN1CCC([NH2+]Cc2cc(OC)ccc2[O-])CC1 ZINC000775633622 580395799 /nfs/dbraw/zinc/39/57/99/580395799.db2.gz QUBYXIDSWBRDJV-UHFFFAOYSA-N 0 3 336.432 1.908 20 10 EDCDHN COc1ccc(O)c(CN[C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)c1 ZINC000776225811 580411866 /nfs/dbraw/zinc/41/18/66/580411866.db2.gz ZPTRQUCEEMWXBX-ABAIWWIYSA-N 0 3 330.388 1.418 20 10 EDCDHN CN1CCN(c2ccc(CN3CCC[C@@]34CCOC4=O)cc2)CC1 ZINC000779199320 580480846 /nfs/dbraw/zinc/48/08/46/580480846.db2.gz XVNQAKNNVYKFOB-IBGZPJMESA-N 0 3 329.444 1.720 20 10 EDCDHN Cc1cccc(C[NH2+][C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c1[O-] ZINC000779432695 580485608 /nfs/dbraw/zinc/48/56/08/580485608.db2.gz ZTVDJTMBPUJHFM-HOCLYGCPSA-N 0 3 325.430 1.527 20 10 EDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)c1 ZINC000797097847 580968154 /nfs/dbraw/zinc/96/81/54/580968154.db2.gz YVIDHWGIDHNLLB-OLZOCXBDSA-N 0 3 342.461 1.866 20 10 EDCDHN COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CNC(=O)C2)c([O-])c1OC ZINC000892246346 590885451 /nfs/dbraw/zinc/88/54/51/590885451.db2.gz LVNICGCVWZXQQH-ZIAGYGMSSA-N 0 3 334.416 1.900 20 10 EDCDHN COc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CNC(=O)C2)c([O-])c1OC ZINC000892246346 590885455 /nfs/dbraw/zinc/88/54/55/590885455.db2.gz LVNICGCVWZXQQH-ZIAGYGMSSA-N 0 3 334.416 1.900 20 10 EDCDHN COc1ccc(CNCc2ccc3c(c2)C(=O)NCC3)c(O)c1OC ZINC000893564098 590962961 /nfs/dbraw/zinc/96/29/61/590962961.db2.gz ZEINZQYTADEFDK-UHFFFAOYSA-N 0 3 342.395 1.985 20 10 EDCDHN CCOC(=O)NCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891256542 591022189 /nfs/dbraw/zinc/02/21/89/591022189.db2.gz ZKEJLBWRWYNKJN-OAHLLOKOSA-N 0 3 336.436 1.218 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)/C=C/c2cnn(C)c2)N(C)C)cc1 ZINC000891256681 591022247 /nfs/dbraw/zinc/02/22/47/591022247.db2.gz ZUIMBOYNWDHOEX-PMQIGOLDSA-N 0 3 341.459 1.918 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)NCCn2ccnc2)N(C)C)cc1 ZINC000891558687 591125266 /nfs/dbraw/zinc/12/52/66/591125266.db2.gz VPXOEMGFBUOMEJ-QGZVFWFLSA-N 0 3 344.463 1.551 20 10 EDCDHN COc1ccc(C[NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)c([O-])c1OC ZINC000893002527 591251831 /nfs/dbraw/zinc/25/18/31/591251831.db2.gz UPVMWNOBJZLPRD-STQMWFEESA-N 0 3 343.445 1.855 20 10 EDCDHN COc1cc(C)cc(CN[C@H]2CCN(c3cnn(C)c3)C2=O)c1O ZINC000894277355 591262070 /nfs/dbraw/zinc/26/20/70/591262070.db2.gz UCKARPMEKCXEOF-AWEZNQCLSA-N 0 3 330.388 1.338 20 10 EDCDHN COc1ccc(C[NH2+]C[C@H]2CCCS(=O)(=O)C2)c([O-])c1OC ZINC000894507114 591329152 /nfs/dbraw/zinc/32/91/52/591329152.db2.gz VUVJDEODVDEWSI-LLVKDONJSA-N 0 3 329.418 1.324 20 10 EDCDHN COc1ccc(CN2CCC[C@@H](n3cc(CO)nn3)C2)c(O)c1OC ZINC000894622318 591369445 /nfs/dbraw/zinc/36/94/45/591369445.db2.gz GXOFTDGPDOWJHH-CQSZACIVSA-N 0 3 348.403 1.330 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)NC2(CO)CCCC2)N(C)C)cc1 ZINC000899103240 591683674 /nfs/dbraw/zinc/68/36/74/591683674.db2.gz YAUALEBSHCTGIH-KRWDZBQOSA-N 0 3 348.491 1.960 20 10 EDCDHN [O-]c1cc2c(cc1C[N@H+]1CC3(CCOCC3)CC[C@@H]1CO)OCO2 ZINC000897173428 591757354 /nfs/dbraw/zinc/75/73/54/591757354.db2.gz SULQPZAWCDWPNC-CQSZACIVSA-N 0 3 335.400 1.874 20 10 EDCDHN [O-]c1cc2c(cc1C[N@@H+]1CC3(CCOCC3)CC[C@@H]1CO)OCO2 ZINC000897173428 591757357 /nfs/dbraw/zinc/75/73/57/591757357.db2.gz SULQPZAWCDWPNC-CQSZACIVSA-N 0 3 335.400 1.874 20 10 EDCDHN COc1ccc(C[NH2+]C2CCN([C@H]3CCOC3)CC2)c([O-])c1OC ZINC000895437438 591757894 /nfs/dbraw/zinc/75/78/94/591757894.db2.gz VMHGEXBATZJRBB-HNNXBMFYSA-N 0 3 336.432 1.752 20 10 EDCDHN CC(=O)N1C[C@H]2CN(Cc3ccc(N4CCOCC4)c(F)c3)C[C@H]2C1 ZINC000895576580 591806000 /nfs/dbraw/zinc/80/60/00/591806000.db2.gz NRHDVVZIDXCICK-CALCHBBNSA-N 0 3 347.434 1.572 20 10 EDCDHN CCC1(CC)CNC(=O)[C@H]1NCc1ccc(N2CCN(C)CC2)cc1 ZINC000897346024 591872078 /nfs/dbraw/zinc/87/20/78/591872078.db2.gz PZKSYVXATLNYPS-GOSISDBHSA-N 0 3 344.503 1.833 20 10 EDCDHN CN(C)c1ccc([C@H](CN2C(=O)[C@H]3CCCN3C2=O)N(C)C)cc1 ZINC000900186044 591933306 /nfs/dbraw/zinc/93/33/06/591933306.db2.gz VHXJSZSBSRKQMQ-CVEARBPZSA-N 0 3 330.432 1.782 20 10 EDCDHN Cc1nsc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)n1 ZINC000903044645 592112963 /nfs/dbraw/zinc/11/29/63/592112963.db2.gz CNCUKGUGRRIJGJ-AWEZNQCLSA-N 0 3 333.461 1.945 20 10 EDCDHN COc1cccc([C@@H](C)NCCS(=O)(=O)N2CCCC2)c1O ZINC000903290971 592153936 /nfs/dbraw/zinc/15/39/36/592153936.db2.gz KQPDZPAYTNRCRQ-GFCCVEGCSA-N 0 3 328.434 1.477 20 10 EDCDHN COc1ccc(O)c([C@H](C)NC(=O)c2ccnn2CCN(C)C)c1 ZINC000901126249 592243285 /nfs/dbraw/zinc/24/32/85/592243285.db2.gz BZELYVKTFGXSJC-LBPRGKRZSA-N 0 3 332.404 1.650 20 10 EDCDHN C[C@@H](NC(=O)C(=O)N1C[C@H](N)C(C)(C)C1)c1ccc(N(C)C)cc1 ZINC000911225293 592968924 /nfs/dbraw/zinc/96/89/24/592968924.db2.gz FOTUXWJWSLMBSE-DOMZBBRYSA-N 0 3 332.448 1.126 20 10 EDCDHN C[C@@H]1C[C@H](NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)CCN1C ZINC000806041144 593182385 /nfs/dbraw/zinc/18/23/85/593182385.db2.gz SYIFOFUVTOAUTA-GDBMZVCRSA-N 0 3 346.475 1.310 20 10 EDCDHN CC(=O)C(=O)COC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000808511248 593263657 /nfs/dbraw/zinc/26/36/57/593263657.db2.gz YDRGVTJLTXQTDJ-UHFFFAOYSA-N 0 3 332.400 1.532 20 10 EDCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CC2(O)CCS(=O)(=O)CC2)c1[O-] ZINC000808699504 593282259 /nfs/dbraw/zinc/28/22/59/593282259.db2.gz ZCUICDZTTBPGEE-NSHDSACASA-N 0 3 347.864 1.944 20 10 EDCDHN CN(CCNC(=O)OC(C)(C)C)Cc1cc2c(cc1O)OC[C@H]2O ZINC000840157284 593315502 /nfs/dbraw/zinc/31/55/02/593315502.db2.gz FQONYNDILHNSNI-CQSZACIVSA-N 0 3 338.404 1.775 20 10 EDCDHN COC(=O)[C@@H]1CSCC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000840185945 593363996 /nfs/dbraw/zinc/36/39/96/593363996.db2.gz JIHOWJVRXCOPSP-FZMZJTMJSA-N 0 3 339.413 1.156 20 10 EDCDHN COC(=O)[C@@H]1CSCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000840185945 593363999 /nfs/dbraw/zinc/36/39/99/593363999.db2.gz JIHOWJVRXCOPSP-FZMZJTMJSA-N 0 3 339.413 1.156 20 10 EDCDHN CCS(=O)(=O)N1CCC(C[NH2+]Cc2cc(OC)ccc2[O-])CC1 ZINC000758056674 593392339 /nfs/dbraw/zinc/39/23/39/593392339.db2.gz OZWPWFSVCLGBKZ-UHFFFAOYSA-N 0 3 342.461 1.552 20 10 EDCDHN CON(C)C(=O)C1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000812779288 593509106 /nfs/dbraw/zinc/50/91/06/593509106.db2.gz KYQQHXLVALUWCP-UHFFFAOYSA-N 0 3 347.459 1.755 20 10 EDCDHN NC(=O)[C@@H]1CCCN(CCC[NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816548429 593531191 /nfs/dbraw/zinc/53/11/91/593531191.db2.gz HOKAQHVQBYTDIP-LLVKDONJSA-N 0 3 343.830 1.862 20 10 EDCDHN NC(=O)[C@@H]1CCC[N@H+](CCCNCc2cc(Cl)c(F)cc2[O-])C1 ZINC000816548429 593531192 /nfs/dbraw/zinc/53/11/92/593531192.db2.gz HOKAQHVQBYTDIP-LLVKDONJSA-N 0 3 343.830 1.862 20 10 EDCDHN NC(=O)[C@@H]1CCC[N@@H+](CCCNCc2cc(Cl)c(F)cc2[O-])C1 ZINC000816548429 593531194 /nfs/dbraw/zinc/53/11/94/593531194.db2.gz HOKAQHVQBYTDIP-LLVKDONJSA-N 0 3 343.830 1.862 20 10 EDCDHN CC(C)(C)OC(=O)NC[C@](C)(O)CNCc1ccc2c(c1)CCO2 ZINC000818996579 593733007 /nfs/dbraw/zinc/73/30/07/593733007.db2.gz ITBPIPMVOZVCEO-GOSISDBHSA-N 0 3 336.432 1.987 20 10 EDCDHN C[C@H]1C[C@@H](N2C(=O)CN(Cc3ccccc3O)C2=O)CN1C1CC1 ZINC000819170601 593742431 /nfs/dbraw/zinc/74/24/31/593742431.db2.gz JLFYYLJRIYYWQC-SWLSCSKDSA-N 0 3 329.400 1.782 20 10 EDCDHN CN(C)C(=O)N(C)[C@@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000827544724 594229564 /nfs/dbraw/zinc/22/95/64/594229564.db2.gz IYDRKGYNAPHXAI-GOSISDBHSA-N 0 3 346.475 1.711 20 10 EDCDHN [O-]c1cc(Br)ccc1CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000826535420 594521084 /nfs/dbraw/zinc/52/10/84/594521084.db2.gz WQSFFFHHNGPTLZ-QWHCGFSZSA-N 0 3 327.222 1.406 20 10 EDCDHN [O-]c1cc(Br)ccc1CN1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000826535420 594521086 /nfs/dbraw/zinc/52/10/86/594521086.db2.gz WQSFFFHHNGPTLZ-QWHCGFSZSA-N 0 3 327.222 1.406 20 10 EDCDHN CN1CC[C@@H](CNC(=O)c2csc(Cc3ccc(N)cc3)n2)C1 ZINC000827485228 594676426 /nfs/dbraw/zinc/67/64/26/594676426.db2.gz ODVAVIRHCQTOOG-ZDUSSCGKSA-N 0 3 330.457 1.998 20 10 EDCDHN CN(C)c1ccc(CN(C)C(=O)CN2CC[C@@H](CCCO)C2)cc1 ZINC000832781365 594776333 /nfs/dbraw/zinc/77/63/33/594776333.db2.gz BJOIICOUQQXDNE-MRXNPFEDSA-N 0 3 333.476 1.805 20 10 EDCDHN Cc1cc(N(C)C)ccc1CNCCS(=O)(=O)NC(C)(C)C ZINC000840932737 594829839 /nfs/dbraw/zinc/82/98/39/594829839.db2.gz IXJHZBASXPBXSO-UHFFFAOYSA-N 0 3 327.494 1.869 20 10 EDCDHN CCS(=O)(=O)CCCNCc1ccc(N2CCN(C)CC2)cc1 ZINC000840973716 594834461 /nfs/dbraw/zinc/83/44/61/594834461.db2.gz SXZKRWSDEJUZDA-UHFFFAOYSA-N 0 3 339.505 1.353 20 10 EDCDHN C[C@H](NC(=O)C(=O)N[C@H](CN)C1CCCC1)c1ccc(N(C)C)cc1 ZINC000842203668 595037645 /nfs/dbraw/zinc/03/76/45/595037645.db2.gz VTWNVJUFULMFIJ-SUMWQHHRSA-N 0 3 346.475 1.564 20 10 EDCDHN CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H](CN)CC(C)C)cc1 ZINC000842207102 595038893 /nfs/dbraw/zinc/03/88/93/595038893.db2.gz KLXSYUKESLUZKQ-MRXNPFEDSA-N 0 3 348.491 1.639 20 10 EDCDHN CCOCc1cc(CN[C@@H]2CCN(S(C)(=O)=O)C2)ccc1OC ZINC000846034861 595127825 /nfs/dbraw/zinc/12/78/25/595127825.db2.gz QVQZLRIHQXCLPA-OAHLLOKOSA-N 0 3 342.461 1.355 20 10 EDCDHN Cn1ccnc1CN1CCC[C@@H]([NH2+][C@@H]2CCc3cccc([O-])c32)C1=O ZINC000834759800 595205480 /nfs/dbraw/zinc/20/54/80/595205480.db2.gz FWTCIYFELMTBKL-HUUCEWRRSA-N 0 3 340.427 1.894 20 10 EDCDHN CN(C)C(=O)[C@@H]1CC[C@@H](CNC/C=C/c2ccc(N(C)C)cc2)O1 ZINC000835043746 595252428 /nfs/dbraw/zinc/25/24/28/595252428.db2.gz YLVRPBILUJBGBI-ZBKUBXTQSA-N 0 3 331.460 1.991 20 10 EDCDHN [NH3+]CCNC(=O)[C@H]1CCCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000843048137 595273740 /nfs/dbraw/zinc/27/37/40/595273740.db2.gz OYBJXBJYIQALKJ-JTQLQIEISA-N 0 3 329.803 1.472 20 10 EDCDHN COCCC[N@H+](C)CCNC(=O)NCc1cc(Cl)ccc1[O-] ZINC000845011189 595426444 /nfs/dbraw/zinc/42/64/44/595426444.db2.gz ODHCJWLFQCBHLN-UHFFFAOYSA-N 0 3 329.828 1.813 20 10 EDCDHN COCCC[N@@H+](C)CCNC(=O)NCc1cc(Cl)ccc1[O-] ZINC000845011189 595426445 /nfs/dbraw/zinc/42/64/45/595426445.db2.gz ODHCJWLFQCBHLN-UHFFFAOYSA-N 0 3 329.828 1.813 20 10 EDCDHN CN(C)c1cc(F)c(CNC[C@]2(OCCO)CCOC2)cc1F ZINC000858188491 595724352 /nfs/dbraw/zinc/72/43/52/595724352.db2.gz UNVSHQOPEUNKPF-MRXNPFEDSA-N 0 3 330.375 1.288 20 10 EDCDHN COc1cc(Br)cc(C[NH2+]CCN2CC[C@H](O)C2)c1[O-] ZINC000858338008 595768048 /nfs/dbraw/zinc/76/80/48/595768048.db2.gz AHASKOPYWIYSOM-LBPRGKRZSA-N 0 3 345.237 1.320 20 10 EDCDHN CN1CCN(c2ccc(CN[C@@H]3CCN(C4CCC4)C3=O)cc2)CC1 ZINC000858342560 595769533 /nfs/dbraw/zinc/76/95/33/595769533.db2.gz NMFKDEUYLMOFRF-LJQANCHMSA-N 0 3 342.487 1.681 20 10 EDCDHN COc1cc(O)c(CN2CC[C@@H](N(C)C(=O)N(C)C)C2)cc1OC ZINC000853585180 595814749 /nfs/dbraw/zinc/81/47/49/595814749.db2.gz VXPZGIMOQHZCDO-CYBMUJFWSA-N 0 3 337.420 1.597 20 10 EDCDHN NC1(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC2(CCC2)C1 ZINC000851629832 595861253 /nfs/dbraw/zinc/86/12/53/595861253.db2.gz BEXSSVSOOWDZEL-UHFFFAOYSA-N 0 3 347.434 1.940 20 10 EDCDHN COc1ccc(N2CCCN(C[C@@H](O)CC3(O)CCC3)CC2)cc1 ZINC000859086796 595971761 /nfs/dbraw/zinc/97/17/61/595971761.db2.gz OKEXAQXTCXAVBK-KRWDZBQOSA-N 0 3 334.460 1.873 20 10 EDCDHN CCc1cccc(C[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)c1[O-] ZINC000862485013 596335651 /nfs/dbraw/zinc/33/56/51/596335651.db2.gz GGIMHWHXKQHYHJ-HUUCEWRRSA-N 0 3 326.462 1.905 20 10 EDCDHN CNS(=O)(=O)C[C@H]1CCCN(Cc2cccc(OC)c2O)C1 ZINC000862550993 596344715 /nfs/dbraw/zinc/34/47/15/596344715.db2.gz IYOJQLKXHLRWLQ-LBPRGKRZSA-N 0 3 328.434 1.162 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)CCCOC2CCOCC2)cc1 ZINC000870932324 596410657 /nfs/dbraw/zinc/41/06/57/596410657.db2.gz DAHSJLFZXWYHMD-SFHVURJKSA-N 0 3 349.475 1.844 20 10 EDCDHN COc1ccc(CNCCNC(=O)C2CC2)cc1Cn1cccn1 ZINC000873007843 597158705 /nfs/dbraw/zinc/15/87/05/597158705.db2.gz HFHNOGOHBNEILX-UHFFFAOYSA-N 0 3 328.416 1.556 20 10 EDCDHN CN(C)C[C@H](N)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC000876873206 597364283 /nfs/dbraw/zinc/36/42/83/597364283.db2.gz YGDHACYLYIHNQT-MSOLQXFVSA-N 0 3 348.491 1.149 20 10 EDCDHN CCS(=O)(=O)N1CCC(C[NH2+]Cc2c(C)cccc2[O-])CC1 ZINC000877340067 597495458 /nfs/dbraw/zinc/49/54/58/597495458.db2.gz JHMRKZKKVCHDDQ-UHFFFAOYSA-N 0 3 326.462 1.852 20 10 EDCDHN CCS(=O)(=O)CCCNCc1ccc(N2CCC(O)CC2)cc1 ZINC000877592904 597539962 /nfs/dbraw/zinc/53/99/62/597539962.db2.gz VWLAZQVDWFRWCZ-UHFFFAOYSA-N 0 3 340.489 1.562 20 10 EDCDHN CN(C)c1ccc(CN2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1 ZINC000093820863 529780257 /nfs/dbraw/zinc/78/02/57/529780257.db2.gz YFBDTXMFGMHCLP-GOSISDBHSA-N 0 3 330.476 1.491 20 10 EDCDHN C[C@@H]1CN(C[C@@H]2CN(C)CCO2)CCN1Cc1cc(F)ccc1O ZINC000361054710 250168804 /nfs/dbraw/zinc/16/88/04/250168804.db2.gz VADDDQFVZSCLIT-PBHICJAKSA-N 0 3 337.439 1.368 20 10 EDCDHN Cc1nccc(CN2CCC[C@@H]([NH2+]Cc3ccccc3[O-])C2=O)n1 ZINC000371951037 250215939 /nfs/dbraw/zinc/21/59/39/250215939.db2.gz ZPJCAJTYUGWGAD-MRXNPFEDSA-N 0 3 326.400 1.771 20 10 EDCDHN CN(C)c1ccc(CNC(=O)CN[C@@H]2CCC(=O)N[C@@H]2C2CC2)cc1 ZINC000375300578 250281093 /nfs/dbraw/zinc/28/10/93/250281093.db2.gz BRHJDGWCWYDWFN-VQIMIIECSA-N 0 3 344.459 1.016 20 10 EDCDHN COC(=O)CNC(=O)CCN1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000374328388 250259354 /nfs/dbraw/zinc/25/93/54/250259354.db2.gz ZIYPERBKKYHIFT-UHFFFAOYSA-N 0 3 331.416 1.131 20 10 EDCDHN CN(C)c1ccc(CNC(=O)CN2CC[C@@H]([C@H]3CCOC3)C2)cc1 ZINC000378234248 250298392 /nfs/dbraw/zinc/29/83/92/250298392.db2.gz LYFDCPWTGHCHGT-SJORKVTESA-N 0 3 331.460 1.727 20 10 EDCDHN CN(C)c1ccc(CN2CCC(NC(=O)c3cnn(C)c3)CC2)cc1 ZINC000092073975 441770986 /nfs/dbraw/zinc/77/09/86/441770986.db2.gz BGZYSYOZPUZRCR-UHFFFAOYSA-N 0 3 341.459 1.881 20 10 EDCDHN COc1ccc(O)c([C@H](C)N[C@H]2CCCN(c3ccn(C)n3)C2=O)c1 ZINC000182466356 442772298 /nfs/dbraw/zinc/77/22/98/442772298.db2.gz ZSKDFRKBUBLMOL-WFASDCNBSA-N 0 3 344.415 1.981 20 10 EDCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CC(=O)N(CCN3CCOCC3)C2)c([O-])c1 ZINC000186064009 443305175 /nfs/dbraw/zinc/30/51/75/443305175.db2.gz RIPFZFTZAMUXCN-JKSUJKDBSA-N 0 3 347.459 1.284 20 10 EDCDHN CCOc1ccc(O)c(CN2CCC[C@@H](CNS(C)(=O)=O)C2)c1 ZINC000269496890 443326916 /nfs/dbraw/zinc/32/69/16/443326916.db2.gz PRXJATYATHQOLE-ZDUSSCGKSA-N 0 3 342.461 1.552 20 10 EDCDHN O=C(NCc1ccc(N2CCOCC2)cc1)[C@H]1CCCN1C1CC1 ZINC000278532120 443355517 /nfs/dbraw/zinc/35/55/17/443355517.db2.gz ZXVBSUYQCASSLA-GOSISDBHSA-N 0 3 329.444 1.766 20 10 EDCDHN CCOc1ccc([O-])c(C[N@H+]2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)c1 ZINC000278558247 443361600 /nfs/dbraw/zinc/36/16/00/443361600.db2.gz ASDFOAFCDUHQJD-RDJZCZTQSA-N 0 3 331.416 1.732 20 10 EDCDHN CCOc1ccc([O-])c(C[N@@H+]2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)c1 ZINC000278558247 443361602 /nfs/dbraw/zinc/36/16/02/443361602.db2.gz ASDFOAFCDUHQJD-RDJZCZTQSA-N 0 3 331.416 1.732 20 10 EDCDHN CC(C)OCCOC[C@H](O)CN(C)Cc1cc2c(cc1O)OCO2 ZINC000271125327 443491433 /nfs/dbraw/zinc/49/14/33/443491433.db2.gz HBILZNROALECBV-CQSZACIVSA-N 0 3 341.404 1.355 20 10 EDCDHN CC(C)OCCOC[C@H](O)C[N@H+](C)Cc1cc2c(cc1[O-])OCO2 ZINC000271125327 443491435 /nfs/dbraw/zinc/49/14/35/443491435.db2.gz HBILZNROALECBV-CQSZACIVSA-N 0 3 341.404 1.355 20 10 EDCDHN CC(C)OCCOC[C@H](O)C[N@@H+](C)Cc1cc2c(cc1[O-])OCO2 ZINC000271125327 443491438 /nfs/dbraw/zinc/49/14/38/443491438.db2.gz HBILZNROALECBV-CQSZACIVSA-N 0 3 341.404 1.355 20 10 EDCDHN COc1ccc([O-])c(C[N@@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)c1 ZINC000275161753 443622279 /nfs/dbraw/zinc/62/22/79/443622279.db2.gz YOFRFHKEAGDPCS-SNVBAGLBSA-N 0 3 332.322 1.901 20 10 EDCDHN COc1ccc([O-])c(C[N@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)c1 ZINC000275161753 443622283 /nfs/dbraw/zinc/62/22/83/443622283.db2.gz YOFRFHKEAGDPCS-SNVBAGLBSA-N 0 3 332.322 1.901 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@@H]1CCCC[C@H]1OC)cc2=O ZINC000275201819 443623058 /nfs/dbraw/zinc/62/30/58/443623058.db2.gz IAYJZNJVBMIUCN-ZIAGYGMSSA-N 0 3 348.403 1.659 20 10 EDCDHN COCCOCCOCCC[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000274437781 443605772 /nfs/dbraw/zinc/60/57/72/443605772.db2.gz TXWXMGXXIROPSX-UHFFFAOYSA-N 0 3 327.377 1.280 20 10 EDCDHN CN(CCN(C)C1CC1)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000274556476 443608042 /nfs/dbraw/zinc/60/80/42/443608042.db2.gz YWSHLEKVIXTAGC-UHFFFAOYSA-N 0 3 346.475 1.759 20 10 EDCDHN CCN1CCN(CCC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)CC1 ZINC000274921208 443615991 /nfs/dbraw/zinc/61/59/91/443615991.db2.gz LIKIDSOIBCLWEB-AWEZNQCLSA-N 0 3 335.448 1.173 20 10 EDCDHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000283535142 443655799 /nfs/dbraw/zinc/65/57/99/443655799.db2.gz POHKPWQASCSZKP-RHSMWYFYSA-N 0 3 344.459 1.064 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCC[C@](C)(O)CC1)cc2=O ZINC000280218076 443676285 /nfs/dbraw/zinc/67/62/85/443676285.db2.gz VKBQDGGOXAHBFC-KRWDZBQOSA-N 0 3 348.403 1.349 20 10 EDCDHN CCN(CC)CCNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000283715485 443697096 /nfs/dbraw/zinc/69/70/96/443697096.db2.gz KDAVNTRSIQHQHU-UHFFFAOYSA-N 0 3 344.459 1.137 20 10 EDCDHN CCCN(Cc1ccccc1O)C(=O)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000298546378 443796575 /nfs/dbraw/zinc/79/65/75/443796575.db2.gz BWZWAWRUVDHSGS-MRXNPFEDSA-N 0 3 347.459 1.683 20 10 EDCDHN COC(=O)c1cn([C@@H]2CCN(Cc3cc(OC)ccc3O)C2)nn1 ZINC000363904919 445883794 /nfs/dbraw/zinc/88/37/94/445883794.db2.gz BSBZSZNDHCEAGE-GFCCVEGCSA-N 0 3 332.360 1.226 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCC3(CC3)CC1)cc2=O ZINC000364631382 445939623 /nfs/dbraw/zinc/93/96/23/445939623.db2.gz ORYUYGGNEOWYAJ-UHFFFAOYSA-N 0 3 330.388 1.988 20 10 EDCDHN COCCN(C)CCCNC(=O)NCc1ccc2c(c1)CCN2C ZINC000369956050 446169582 /nfs/dbraw/zinc/16/95/82/446169582.db2.gz YMJIVUXKKNVJDB-UHFFFAOYSA-N 0 3 334.464 1.446 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCC[C@H](OC)CC1)cc2=O ZINC000376285480 446413893 /nfs/dbraw/zinc/41/38/93/446413893.db2.gz MXGOJBCRQVVSPW-ZDUSSCGKSA-N 0 3 348.403 1.613 20 10 EDCDHN CN(C)c1ccc(CN(C(=O)[C@@H]2CN3CCN2CCC3)C2CC2)cc1 ZINC000376615677 446606166 /nfs/dbraw/zinc/60/61/66/446606166.db2.gz REPJLJFISHFBTA-IBGZPJMESA-N 0 3 342.487 1.634 20 10 EDCDHN Cn1ccnc(N2CCC([NH2+]Cc3cc(F)ccc3[O-])CC2)c1=O ZINC000376678345 446645781 /nfs/dbraw/zinc/64/57/81/446645781.db2.gz HPNIWXGPIOMFNO-UHFFFAOYSA-N 0 3 332.379 1.384 20 10 EDCDHN O=C1NCCCN1C1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000371398344 446830805 /nfs/dbraw/zinc/83/08/05/446830805.db2.gz LKKGHWGIIIVJGI-UHFFFAOYSA-N 0 3 333.388 1.501 20 10 EDCDHN C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC000375678738 446970486 /nfs/dbraw/zinc/97/04/86/446970486.db2.gz MTPLCMPZEWCRFY-UMVBOHGHSA-N 0 3 334.416 1.717 20 10 EDCDHN C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC000375678738 446970492 /nfs/dbraw/zinc/97/04/92/446970492.db2.gz MTPLCMPZEWCRFY-UMVBOHGHSA-N 0 3 334.416 1.717 20 10 EDCDHN NC(=O)[C@H]1Cc2ccccc2N(C(=O)c2cccc3c2CCNC3)C1 ZINC000662565723 453293175 /nfs/dbraw/zinc/29/31/75/453293175.db2.gz HDHPQHVYTTYBLQ-HNNXBMFYSA-N 0 3 335.407 1.637 20 10 EDCDHN COc1ccc(N2CCN(CCCNCc3cc[nH]n3)CC2)cc1 ZINC000237271462 536696261 /nfs/dbraw/zinc/69/62/61/536696261.db2.gz PFVUPOQTGRQLEG-UHFFFAOYSA-N 0 3 329.448 1.720 20 10 EDCDHN COc1cccc(CN[C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)c1O ZINC000742390243 579450482 /nfs/dbraw/zinc/45/04/82/579450482.db2.gz DEERNTYLIIJFCA-RISCZKNCSA-N 0 3 330.388 1.418 20 10 EDCDHN Cc1nnc2n1C[C@@H](NCc1ccc(N3CCOCC3)c(F)c1)CC2 ZINC000727469740 578529618 /nfs/dbraw/zinc/52/96/18/578529618.db2.gz FAPWEHVGTDVOFD-HNNXBMFYSA-N 0 3 345.422 1.667 20 10 EDCDHN CC(=O)N1CCN(CC[NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)CC1 ZINC000756410849 579949676 /nfs/dbraw/zinc/94/96/76/579949676.db2.gz KLTDFFYURGBZKA-SWLSCSKDSA-N 0 3 335.423 1.833 20 10 EDCDHN C[C@@H]1C[C@@H]([NH2+]CCOCCS(C)(=O)=O)c2c1c(F)ccc2[O-] ZINC000756734801 579956248 /nfs/dbraw/zinc/95/62/48/579956248.db2.gz ZTRLVKSLABZELB-ZYHUDNBSSA-N 0 3 331.409 1.730 20 10 EDCDHN CCN(CC)c1ccc(CNC(=O)NC[C@]2(O)CCN(C)C2)cc1 ZINC000763010430 580089628 /nfs/dbraw/zinc/08/96/28/580089628.db2.gz CMJRYTXQBGUGAH-GOSISDBHSA-N 0 3 334.464 1.399 20 10 EDCDHN CN1CCN(C(=O)C[N@H+](Cc2ccccc2[O-])C2CCCC2)CC1 ZINC000772179696 580304706 /nfs/dbraw/zinc/30/47/06/580304706.db2.gz ZXJCRWFMDGNQPQ-UHFFFAOYSA-N 0 3 331.460 1.911 20 10 EDCDHN CN1CCN(C(=O)C[N@@H+](Cc2ccccc2[O-])C2CCCC2)CC1 ZINC000772179696 580304707 /nfs/dbraw/zinc/30/47/07/580304707.db2.gz ZXJCRWFMDGNQPQ-UHFFFAOYSA-N 0 3 331.460 1.911 20 10 EDCDHN COc1ccc(O)c([C@@H](C)N[C@H]2CCN(C3CCOCC3)C2=O)c1 ZINC000775374737 580389647 /nfs/dbraw/zinc/38/96/47/580389647.db2.gz DIJWXMRNAWWZCQ-WBMJQRKESA-N 0 3 334.416 1.831 20 10 EDCDHN CN1CCN(c2ccc(CN3CCCN(C(N)=O)CC3)cc2)CC1 ZINC000775668751 580396762 /nfs/dbraw/zinc/39/67/62/580396762.db2.gz KFGNHXRIQSTPRF-UHFFFAOYSA-N 0 3 331.464 1.025 20 10 EDCDHN CCCN1CCCN(Cc2ccc(N3CCN(C)CC3)cc2)CC1=O ZINC000788268598 580715418 /nfs/dbraw/zinc/71/54/18/580715418.db2.gz DUEAWFCBZONAAC-UHFFFAOYSA-N 0 3 344.503 1.883 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)c2csc(CO)n2)N(C)C)cc1 ZINC000891250242 591019668 /nfs/dbraw/zinc/01/96/68/591019668.db2.gz VSHJJWJTBUCRRC-OAHLLOKOSA-N 0 3 348.472 1.734 20 10 EDCDHN Cc1nnccc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891252714 591020434 /nfs/dbraw/zinc/02/04/34/591020434.db2.gz MWSSBWHFYXRTET-KRWDZBQOSA-N 0 3 327.432 1.884 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cccc(=O)n2C)N(C)C)cc1 ZINC000891251550 591020472 /nfs/dbraw/zinc/02/04/72/591020472.db2.gz GNPWOFWAKZXMNV-QGZVFWFLSA-N 0 3 342.443 1.484 20 10 EDCDHN Cc1c(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cnn1C ZINC000891256288 591022299 /nfs/dbraw/zinc/02/22/99/591022299.db2.gz XCOAHWYAZHKNLW-KRWDZBQOSA-N 0 3 329.448 1.827 20 10 EDCDHN CCNC(=O)[C@H](C)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891600077 591145715 /nfs/dbraw/zinc/14/57/15/591145715.db2.gz PWWWENRENIGRMN-XJKSGUPXSA-N 0 3 349.479 1.179 20 10 EDCDHN OCc1cnccc1NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000894151366 591209330 /nfs/dbraw/zinc/20/93/30/591209330.db2.gz NHPKATCZASNSJG-UHFFFAOYSA-N 0 3 335.354 1.723 20 10 EDCDHN COC[C@@](C)(O)CNCc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000894251146 591247111 /nfs/dbraw/zinc/24/71/11/591247111.db2.gz NDGSAOKIAYKEAY-KRWDZBQOSA-N 0 3 338.379 1.591 20 10 EDCDHN COc1ccc(C[NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)c([O-])c1OC ZINC000893002526 591251556 /nfs/dbraw/zinc/25/15/56/591251556.db2.gz UPVMWNOBJZLPRD-QWHCGFSZSA-N 0 3 343.445 1.855 20 10 EDCDHN CNC(=O)C1([NH2+]Cc2cc(Cl)cc(OC)c2[O-])CCOCC1 ZINC000895884644 591296647 /nfs/dbraw/zinc/29/66/47/591296647.db2.gz LZHSQPUNADGKKQ-UHFFFAOYSA-N 0 3 328.796 1.439 20 10 EDCDHN CN(C)c1ccc([C@H](CNc2nccn3nnnc23)N(C)C)cc1 ZINC000897524640 591526863 /nfs/dbraw/zinc/52/68/63/591526863.db2.gz BIHRHPQZXCHPSV-AWEZNQCLSA-N 0 3 326.408 1.300 20 10 EDCDHN CC[N@H+](CCC(N)=O)Cc1cc(Br)cc(OC)c1[O-] ZINC000896715550 591592458 /nfs/dbraw/zinc/59/24/58/591592458.db2.gz UKSFIVRBXGVDCI-UHFFFAOYSA-N 0 3 331.210 1.861 20 10 EDCDHN CC[N@@H+](CCC(N)=O)Cc1cc(Br)cc(OC)c1[O-] ZINC000896715550 591592462 /nfs/dbraw/zinc/59/24/62/591592462.db2.gz UKSFIVRBXGVDCI-UHFFFAOYSA-N 0 3 331.210 1.861 20 10 EDCDHN COC[C@H]1CCN1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899101269 591681817 /nfs/dbraw/zinc/68/18/17/591681817.db2.gz GWXHADNELFYLLE-IAGOWNOFSA-N 0 3 334.464 1.786 20 10 EDCDHN CN(C)c1ccc(/C=C\CN2CCC3(CC2)C[C@@H](O)CNC3=O)cc1 ZINC000897047732 591721059 /nfs/dbraw/zinc/72/10/59/591721059.db2.gz XPWLMPDRVRKDST-DDKKJVIOSA-N 0 3 343.471 1.729 20 10 EDCDHN O[C@H](CNCc1ccc(N2CCSCC2)cc1)C1(O)CCCC1 ZINC000905052496 592381964 /nfs/dbraw/zinc/38/19/64/592381964.db2.gz QXAGIKVVFDTHMI-QGZVFWFLSA-N 0 3 336.501 1.995 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)Cc2csc(CN)n2)cc1 ZINC000911667328 592973969 /nfs/dbraw/zinc/97/39/69/592973969.db2.gz PZHZWENRCVSVSE-AWEZNQCLSA-N 0 3 333.461 1.027 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)c2c3c(nn2C)CCC3)cc1 ZINC000911667333 592974027 /nfs/dbraw/zinc/97/40/27/592974027.db2.gz QBILFCIEJFLNGD-HNNXBMFYSA-N 0 3 327.432 1.405 20 10 EDCDHN COc1ccc(N2CC[C@H](NC(=O)C[C@]3(O)CCCN(C)C3)C2)cc1 ZINC000912293224 593083551 /nfs/dbraw/zinc/08/35/51/593083551.db2.gz WHBQHKUYLLLMEY-HNAYVOBHSA-N 0 3 347.459 1.237 20 10 EDCDHN C[C@@H](NC(=O)C(=O)NCC1(N(C)C)CCC1)c1ccc(N(C)C)cc1 ZINC000807028023 593135959 /nfs/dbraw/zinc/13/59/59/593135959.db2.gz QFYOMCKVGVIHMG-CQSZACIVSA-N 0 3 346.475 1.530 20 10 EDCDHN Cc1ccc([O-])c(C[NH2+][C@@H]2CCCN(S(=O)(=O)N(C)C)C2)c1 ZINC000808424735 593258151 /nfs/dbraw/zinc/25/81/51/593258151.db2.gz UWUBTHRUDUFHGY-CQSZACIVSA-N 0 3 327.450 1.061 20 10 EDCDHN CC(C)S(=O)(=O)CCNCc1ccc(N2CCN(C)CC2)cc1 ZINC000809791192 593358896 /nfs/dbraw/zinc/35/88/96/593358896.db2.gz XGJYZYIBZFSNQU-UHFFFAOYSA-N 0 3 339.505 1.351 20 10 EDCDHN CCCCN(C)CCNC(=O)C(=O)NCc1ccc(N(C)C)cc1C ZINC000804031973 593382613 /nfs/dbraw/zinc/38/26/13/593382613.db2.gz ZOFCFAYSTWVQOS-UHFFFAOYSA-N 0 3 348.491 1.525 20 10 EDCDHN COc1ccc(-n2c(C)cc(C(=O)NC[C@H]3CNCCO3)c2C)cc1 ZINC000818008052 593656667 /nfs/dbraw/zinc/65/66/67/593656667.db2.gz OAQBKVYMHOLVPV-QGZVFWFLSA-N 0 3 343.427 1.821 20 10 EDCDHN COc1ccc(N2CCN(CCNC[C@@H](O)C(F)(F)F)CC2)cc1 ZINC000818982388 593732129 /nfs/dbraw/zinc/73/21/29/593732129.db2.gz LNLNQQDJGNNMDJ-OAHLLOKOSA-N 0 3 347.381 1.330 20 10 EDCDHN CON(C)C(=O)CCNCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000819120444 593739967 /nfs/dbraw/zinc/73/99/67/593739967.db2.gz BPPKCJJASPVWDZ-UHFFFAOYSA-N 0 3 339.411 1.286 20 10 EDCDHN CN1CCN(c2ccc(CNCc3nnc(C4CC4)[nH]3)cc2)CC1 ZINC000824603570 594046118 /nfs/dbraw/zinc/04/61/18/594046118.db2.gz VAWUOVIZYRQEQU-UHFFFAOYSA-N 0 3 326.448 1.724 20 10 EDCDHN CN1CCN(c2ccc(CNCc3n[nH]c(C4CC4)n3)cc2)CC1 ZINC000824603570 594046120 /nfs/dbraw/zinc/04/61/20/594046120.db2.gz VAWUOVIZYRQEQU-UHFFFAOYSA-N 0 3 326.448 1.724 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@H](CO)[C@@H]1CC)cc2=O ZINC000830715127 594463073 /nfs/dbraw/zinc/46/30/73/594463073.db2.gz VTRYBRHDARAUTN-RISCZKNCSA-N 0 3 348.403 1.204 20 10 EDCDHN Fc1cc(CN2CC[C@H](Cn3ccnn3)C2)ccc1N1CCOCC1 ZINC000826846677 594587719 /nfs/dbraw/zinc/58/77/19/594587719.db2.gz XKAVXEHGZKJSOJ-INIZCTEOSA-N 0 3 345.422 1.776 20 10 EDCDHN Cc1cc(CN2CCC(O)(C(N)=O)CC2)ccc1N1CCCCC1 ZINC000829506337 594627933 /nfs/dbraw/zinc/62/79/33/594627933.db2.gz SFPCMQDSXXHDKQ-UHFFFAOYSA-N 0 3 331.460 1.798 20 10 EDCDHN C[C@H](OC[C@@H]1CCCCO1)C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1 ZINC000832281618 594740060 /nfs/dbraw/zinc/74/00/60/594740060.db2.gz VCICZQFSVNVAOG-JCGIZDLHSA-N 0 3 349.475 1.843 20 10 EDCDHN CCCNC(=O)CCCC(=O)NC[C@@H](N)c1ccc(N(C)C)cc1 ZINC000832285169 594740439 /nfs/dbraw/zinc/74/04/39/594740439.db2.gz PCJRTJWKKWTITE-MRXNPFEDSA-N 0 3 334.464 1.565 20 10 EDCDHN Cc1cc(N(C)C)ccc1CN[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000840929584 594829477 /nfs/dbraw/zinc/82/94/77/594829477.db2.gz BOSKZYLGEOONJX-OAHLLOKOSA-N 0 3 325.478 1.575 20 10 EDCDHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccc(N)cc1 ZINC000841019469 594840130 /nfs/dbraw/zinc/84/01/30/594840130.db2.gz IHKCPKRBEPSULD-QGZVFWFLSA-N 0 3 340.427 1.496 20 10 EDCDHN Nc1ccc(CCNC(=O)C(=O)N2CCC[C@H](N3CCCC3)C2)cc1 ZINC000842237524 595049035 /nfs/dbraw/zinc/04/90/35/595049035.db2.gz DIYWLMMCAQAWNR-KRWDZBQOSA-N 0 3 344.459 1.014 20 10 EDCDHN CCON(C)C(=O)CNCc1cc(Br)cc(C)c1O ZINC000846066438 595134372 /nfs/dbraw/zinc/13/43/72/595134372.db2.gz YHOUQZMPAPLSAQ-UHFFFAOYSA-N 0 3 331.210 1.963 20 10 EDCDHN COc1cccc(CNC[C@H]2CS(=O)(=O)c3ccccc3O2)c1O ZINC000842721959 595180543 /nfs/dbraw/zinc/18/05/43/595180543.db2.gz NCOACALKKQAIDZ-ZDUSSCGKSA-N 0 3 349.408 1.725 20 10 EDCDHN COCC[C@H](C)S(=O)(=O)NC[C@@H](N)c1ccc(N(C)C)cc1 ZINC000842785111 595197248 /nfs/dbraw/zinc/19/72/48/595197248.db2.gz OXVQVHRPSBYOQQ-SWLSCSKDSA-N 0 3 329.466 1.097 20 10 EDCDHN CC[C@@H](CS(=O)(=O)NC[C@H](N)c1ccc(N(C)C)cc1)OC ZINC000842786323 595198120 /nfs/dbraw/zinc/19/81/20/595198120.db2.gz WSHWSBKBKYKOHL-GJZGRUSLSA-N 0 3 329.466 1.097 20 10 EDCDHN COCC(COC)N[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000834891206 595237023 /nfs/dbraw/zinc/23/70/23/595237023.db2.gz NPKITURLIXEMKE-CYBMUJFWSA-N 0 3 326.412 1.974 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNC(=O)c2cnc3c(cnn3C)c2)cc1 ZINC000844162680 595287831 /nfs/dbraw/zinc/28/78/31/595287831.db2.gz LWWKGJXPMZKSBK-MRXNPFEDSA-N 0 3 338.415 1.464 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNC(=O)Cc2cn3ccccc3n2)cc1 ZINC000844162684 595287902 /nfs/dbraw/zinc/28/79/02/595287902.db2.gz LYULZDGBJBMAMS-QGZVFWFLSA-N 0 3 337.427 1.759 20 10 EDCDHN Cn1ccnc1[C@H]1CNCCN1Cc1ccc(N2CCOCC2)cc1 ZINC000843122294 595292461 /nfs/dbraw/zinc/29/24/61/595292461.db2.gz QIGWFBMECCCKAQ-GOSISDBHSA-N 0 3 341.459 1.403 20 10 EDCDHN O=C(NCc1ccc(N2CCCC2)cc1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000847287881 595387810 /nfs/dbraw/zinc/38/78/10/595387810.db2.gz NIKQIGWVYKHTBO-ZWKOTPCHSA-N 0 3 344.459 1.247 20 10 EDCDHN C[C@@H](NC(=O)N1CCN2C[C@H](O)C[C@H]2C1)c1ccc(N(C)C)cc1 ZINC000847357527 595403275 /nfs/dbraw/zinc/40/32/75/595403275.db2.gz ZCCJDXFMYNZWQJ-XOKHGSTOSA-N 0 3 332.448 1.274 20 10 EDCDHN O=C(NCc1cc(Cl)ccc1O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000844954248 595419280 /nfs/dbraw/zinc/41/92/80/595419280.db2.gz PKEPTWSBRWZMOV-KGLIPLIRSA-N 0 3 339.823 1.708 20 10 EDCDHN CCc1cccc(C[NH2+][C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c1[O-] ZINC000848900560 595464793 /nfs/dbraw/zinc/46/47/93/595464793.db2.gz NXCJEDZMVNBZNK-WBVHZDCISA-N 0 3 339.457 1.781 20 10 EDCDHN CC(=O)N[C@@H](CCC(C)C)C(=O)NC[C@H](N)c1ccc(N(C)C)cc1 ZINC000852792015 595544993 /nfs/dbraw/zinc/54/49/93/595544993.db2.gz OXEMRKCKDLVFJR-ROUUACIJSA-N 0 3 348.491 1.810 20 10 EDCDHN CN(C)c1ccc(CN(C)C(=O)CN2CC[C@@H]3COC[C@@H]3C2)cc1 ZINC000852669124 596224291 /nfs/dbraw/zinc/22/42/91/596224291.db2.gz MMWJPEZVWKGCSI-SJORKVTESA-N 0 3 331.460 1.679 20 10 EDCDHN COc1ccc(N2CCN(C[C@H]3CCC4(CNC4)O3)CC2)cc1F ZINC000852746648 596237662 /nfs/dbraw/zinc/23/76/62/596237662.db2.gz NSEVTWGNSQBVGU-OAHLLOKOSA-N 0 3 335.423 1.477 20 10 EDCDHN COC(=O)[C@@]1(OC)CCN(Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000862475674 596334390 /nfs/dbraw/zinc/33/43/90/596334390.db2.gz SQGACFMEZYLKJH-LJQANCHMSA-N 0 3 347.459 1.202 20 10 EDCDHN CCO[C@@H]1COCC[C@@H]1CC(=O)NC[C@@H](N)c1ccc(N(C)C)cc1 ZINC000870932528 596410797 /nfs/dbraw/zinc/41/07/97/596410797.db2.gz HIWGQWKVIFZLSH-KBAYOESNSA-N 0 3 349.475 1.700 20 10 EDCDHN CC(C)(O)C[C@H](O)CNCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000872203205 596833942 /nfs/dbraw/zinc/83/39/42/596833942.db2.gz DBVCRYSAQXKYNI-HNNXBMFYSA-N 0 3 340.439 1.398 20 10 EDCDHN CC(=O)N[C@H](CC(C)C)C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1 ZINC000876507136 597224677 /nfs/dbraw/zinc/22/46/77/597224677.db2.gz WHORKZYNJLIOER-IAGOWNOFSA-N 0 3 334.464 1.419 20 10 EDCDHN C[C@H](NC(=O)c1c(CN)cnn1C)c1ccc(N2CCOCC2)cc1 ZINC000876740619 597316758 /nfs/dbraw/zinc/31/67/58/597316758.db2.gz JVKSYAQNOQBZFL-ZDUSSCGKSA-N 0 3 343.431 1.206 20 10 EDCDHN Cc1ccc(C[NH2+]C2CCN(CCS(C)(=O)=O)CC2)c([O-])c1 ZINC000877008456 597410590 /nfs/dbraw/zinc/41/05/90/597410590.db2.gz LCLWADGISUPBGL-UHFFFAOYSA-N 0 3 326.462 1.299 20 10 EDCDHN Cc1ccc(C[NH2+][C@@H]2CCCN(S(=O)(=O)N(C)C)C2)c([O-])c1 ZINC000877522545 597530158 /nfs/dbraw/zinc/53/01/58/597530158.db2.gz CCXDFMVSIIYVCG-CQSZACIVSA-N 0 3 327.450 1.061 20 10 EDCDHN CCOC(=O)[C@@H]1CCCCN1C(=O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000879647646 597673881 /nfs/dbraw/zinc/67/38/81/597673881.db2.gz HENPSZZJICDAIH-HIFRSBDPSA-N 0 3 334.416 1.987 20 10 EDCDHN COc1cccc(CN2CCN(C[C@@H]3CN(C)CCO3)C[C@H]2C)c1O ZINC000372417997 250219127 /nfs/dbraw/zinc/21/91/27/250219127.db2.gz ZSHDFPLDGXZGKP-WBVHZDCISA-N 0 3 349.475 1.238 20 10 EDCDHN CCn1ccnc(N2CCC([NH2+]Cc3ccccc3[O-])CC2)c1=O ZINC000375280352 250280272 /nfs/dbraw/zinc/28/02/72/250280272.db2.gz TZEAXAHYPGHSDM-UHFFFAOYSA-N 0 3 328.416 1.727 20 10 EDCDHN CCOc1cccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2[C@@H]2CCCO2)c1[O-] ZINC000377716280 250290105 /nfs/dbraw/zinc/29/01/05/250290105.db2.gz BNUWMOWCTSRYHS-JKIFEVAISA-N 0 3 334.416 1.707 20 10 EDCDHN O=C(C1CCN(Cc2cc3c(cc2O)OCO3)CC1)N1CCOCC1 ZINC000042912785 441798158 /nfs/dbraw/zinc/79/81/58/441798158.db2.gz ZZKVJTLJTDTAHZ-UHFFFAOYSA-N 0 3 348.399 1.192 20 10 EDCDHN C[C@H]([NH2+][C@H]1CCCN(CCN2CCOCC2)C1=O)c1ccccc1[O-] ZINC000378632911 447448125 /nfs/dbraw/zinc/44/81/25/447448125.db2.gz NHLGQAUEXICLPT-RDJZCZTQSA-N 0 3 347.459 1.366 20 10 EDCDHN COc1cc(O)c(CN[C@@H](C)C(=O)NCc2ccco2)cc1OC ZINC000181200417 442684191 /nfs/dbraw/zinc/68/41/91/442684191.db2.gz BHYPUCIAHLJVKV-NSHDSACASA-N 0 3 334.372 1.797 20 10 EDCDHN C[C@@H](NC[C@H](O)c1cnn(C)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000268865813 443131289 /nfs/dbraw/zinc/13/12/89/443131289.db2.gz GDOBHWFVVCZGFW-ACJLOTCBSA-N 0 3 348.422 1.780 20 10 EDCDHN COCCN(C)CCCNC(=O)NCc1cccc(OC)c1O ZINC000266672239 443204207 /nfs/dbraw/zinc/20/42/07/443204207.db2.gz NUSDAEWRMYIWDX-UHFFFAOYSA-N 0 3 325.409 1.168 20 10 EDCDHN COCCO[C@H]1C[C@@H](CO)CN(Cc2cccc(OC)c2O)C1 ZINC000278661811 443393829 /nfs/dbraw/zinc/39/38/29/443393829.db2.gz KRHZPSNMROJCEJ-HIFRSBDPSA-N 0 3 325.405 1.247 20 10 EDCDHN COc1ccc(N2CCN(CCN[C@H](C)c3cn[nH]c3)CC2)cc1 ZINC000284279354 443771689 /nfs/dbraw/zinc/77/16/89/443771689.db2.gz XHGIDXCMKDXNST-OAHLLOKOSA-N 0 3 329.448 1.891 20 10 EDCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)cc1C ZINC000289842823 444210448 /nfs/dbraw/zinc/21/04/48/444210448.db2.gz URBQCMQFQSATHH-KSSFIOAISA-N 0 3 331.416 1.962 20 10 EDCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)cc1C ZINC000289842823 444210450 /nfs/dbraw/zinc/21/04/50/444210450.db2.gz URBQCMQFQSATHH-KSSFIOAISA-N 0 3 331.416 1.962 20 10 EDCDHN CCN(CC)c1ccc(CNC(=O)[C@H](N)CCC(=O)OC)cc1F ZINC000289721633 444195241 /nfs/dbraw/zinc/19/52/41/444195241.db2.gz GDPLDVOCYUBZQZ-CQSZACIVSA-N 0 3 339.411 1.569 20 10 EDCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCN(CCN3CCOCC3)C2)c1 ZINC000359957146 445503807 /nfs/dbraw/zinc/50/38/07/445503807.db2.gz GNOHXFGAOUHVHW-IAGOWNOFSA-N 0 3 333.476 1.758 20 10 EDCDHN CCOc1cccc(CN2CCC[C@@H](n3cnc(C(N)=O)n3)C2)c1O ZINC000364677195 445944545 /nfs/dbraw/zinc/94/45/45/445944545.db2.gz YWTHXGCPMJEKGZ-CYBMUJFWSA-N 0 3 345.403 1.318 20 10 EDCDHN CN(C)c1ccc(CN2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)cc1F ZINC000365137270 446047513 /nfs/dbraw/zinc/04/75/13/446047513.db2.gz MIGBGAZHCAJXDK-HOTGVXAUSA-N 0 3 332.423 1.833 20 10 EDCDHN NC(=O)c1cc(OC2CC[NH+](Cc3ccccc3[O-])CC2)ccn1 ZINC000368052443 446623168 /nfs/dbraw/zinc/62/31/68/446623168.db2.gz WBHDYNITJNIFSA-UHFFFAOYSA-N 0 3 327.384 1.930 20 10 EDCDHN CN(C)c1ccc(CNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1 ZINC000727471878 578529486 /nfs/dbraw/zinc/52/94/86/578529486.db2.gz POYUZLVDWNJGIW-DLBZAZTESA-N 0 3 332.448 1.415 20 10 EDCDHN COC[C@@](C)(CO)[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000777483599 580442290 /nfs/dbraw/zinc/44/22/90/580442290.db2.gz WGEOGHYEKAUFQS-CYBMUJFWSA-N 0 3 334.210 1.650 20 10 EDCDHN CCOc1ccc(C[NH2+]C[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)c([O-])c1 ZINC000748099455 579669672 /nfs/dbraw/zinc/66/96/72/579669672.db2.gz WXTMXSJUKFOYCI-SCLBCKFNSA-N 0 3 347.415 1.601 20 10 EDCDHN CCCCNC(=O)C1CC[NH+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000768438605 580212720 /nfs/dbraw/zinc/21/27/20/580212720.db2.gz COUDFBCCCOYZMN-KRWDZBQOSA-N 0 3 348.443 1.946 20 10 EDCDHN [O-]c1cc2c(cc1C[NH+]1CCC(CN3CCOCC3)CC1)[C@H](O)CO2 ZINC000768440841 580212810 /nfs/dbraw/zinc/21/28/10/580212810.db2.gz ZSIDFNUHCBPRDA-GOSISDBHSA-N 0 3 348.443 1.362 20 10 EDCDHN C[C@H]([NH2+]CCNS(=O)(=O)Cc1ccon1)c1ccccc1[O-] ZINC000783521498 580600815 /nfs/dbraw/zinc/60/08/15/580600815.db2.gz ZVNKWEXEOFZHFX-NSHDSACASA-N 0 3 325.390 1.150 20 10 EDCDHN COC[C@H](NCc1ccc(N2CCN(C)CC2)cc1)[C@H]1CCCO1 ZINC000788535108 580724000 /nfs/dbraw/zinc/72/40/00/580724000.db2.gz KAQFPZMQXDUYGM-RBUKOAKNSA-N 0 3 333.476 1.722 20 10 EDCDHN O=C1N[C@H]2CCN(Cc3ccc(N4CCOCC4)c(F)c3)C[C@@H]2CO1 ZINC000798957523 581012326 /nfs/dbraw/zinc/01/23/26/581012326.db2.gz FNZWBFGPGOTJBM-ZBFHGGJFSA-N 0 3 349.406 1.593 20 10 EDCDHN CN1CCN(CCNC(=O)/C=C\c2ccc(O)c(O)c2)CC1(C)C ZINC000799743156 581035840 /nfs/dbraw/zinc/03/58/40/581035840.db2.gz XSJQANFXUOMTNY-ALCCZGGFSA-N 0 3 333.432 1.253 20 10 EDCDHN CCOc1ccc([O-])c(C[NH2+][C@@H]2CCC[C@H]2CNS(C)(=O)=O)c1 ZINC000800310281 581050331 /nfs/dbraw/zinc/05/03/31/581050331.db2.gz VRGRFYKYLOTKMQ-SWLSCSKDSA-N 0 3 342.461 1.598 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)N[C@@H]2C=C[C@H](CO)C2)N(C)C)cc1 ZINC000893400098 590846873 /nfs/dbraw/zinc/84/68/73/590846873.db2.gz CIJIHEBNYBOLMB-YXJHDRRASA-N 0 3 346.475 1.592 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCC(=O)N2C)N(C)C)cc1 ZINC000891243309 591013720 /nfs/dbraw/zinc/01/37/20/591013720.db2.gz LLCUVVJEAJWKFV-HZPDHXFCSA-N 0 3 332.448 1.092 20 10 EDCDHN Cc1nnc(CCC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)o1 ZINC000891245760 591014991 /nfs/dbraw/zinc/01/49/91/591014991.db2.gz ITGQSZVEXATFTI-MRXNPFEDSA-N 0 3 345.447 1.796 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)c2coc(CO)c2)N(C)C)cc1 ZINC000891245551 591015248 /nfs/dbraw/zinc/01/52/48/591015248.db2.gz GJKKSJZCVADLGF-KRWDZBQOSA-N 0 3 331.416 1.871 20 10 EDCDHN CC(C)C[C@H](C(N)=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891246606 591016346 /nfs/dbraw/zinc/01/63/46/591016346.db2.gz BYKDWWFXEAQAMK-SJORKVTESA-N 0 3 348.491 1.619 20 10 EDCDHN Cc1nnc(CC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)s1 ZINC000891248486 591017002 /nfs/dbraw/zinc/01/70/02/591017002.db2.gz NHBNBQXIFQPWEZ-OAHLLOKOSA-N 0 3 347.488 1.874 20 10 EDCDHN Cc1nccn1CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891250295 591019809 /nfs/dbraw/zinc/01/98/09/591019809.db2.gz WIWZIJDSMGLBJV-KRWDZBQOSA-N 0 3 329.448 1.677 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)Cn2ccccc2=O)N(C)C)cc1 ZINC000891256526 591022209 /nfs/dbraw/zinc/02/22/09/591022209.db2.gz YZPJSNOHIRYFDE-KRWDZBQOSA-N 0 3 342.443 1.333 20 10 EDCDHN CN(C)c1ccc(/C=C/CN[C@H]2C(=O)NCC23CCOCC3)cc1 ZINC000895769112 591268823 /nfs/dbraw/zinc/26/88/23/591268823.db2.gz MUKAACUQCRNYPS-IDOMTICXSA-N 0 3 329.444 1.651 20 10 EDCDHN CCOc1cccc(CN2CCC(O)(COCCO)CC2)c1O ZINC000895826990 591278296 /nfs/dbraw/zinc/27/82/96/591278296.db2.gz HAABDRSIUIXOGS-UHFFFAOYSA-N 0 3 325.405 1.127 20 10 EDCDHN COc1ccc(CN[C@H]2COc3ccccc3[C@H]2O)c(O)c1OC ZINC000894526817 591333296 /nfs/dbraw/zinc/33/32/96/591333296.db2.gz HPQKXUNMJCQCIZ-SUMWQHHRSA-N 0 3 331.368 1.994 20 10 EDCDHN CC(C)[C@H]([NH3+])CNC(=O)NCc1cc(Br)ccc1[O-] ZINC000841942736 591348886 /nfs/dbraw/zinc/34/88/86/591348886.db2.gz AICRTFKUUNBHHS-LLVKDONJSA-N 0 3 330.226 1.937 20 10 EDCDHN CCN1CC[C@H]1CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000896457141 591472907 /nfs/dbraw/zinc/47/29/07/591472907.db2.gz ABVOTEDLUIZFNJ-ZWKOTPCHSA-N 0 3 347.507 1.749 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)N[C@H]2C[C@@H](CO)C2)N(C)C)cc1 ZINC000899097962 591677339 /nfs/dbraw/zinc/67/73/39/591677339.db2.gz JLRWXTIWRSTKFT-UKPHBRMFSA-N 0 3 334.464 1.425 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)NCC2(O)CCCC2)N(C)C)cc1 ZINC000899101278 591682068 /nfs/dbraw/zinc/68/20/68/591682068.db2.gz HXSNSKMYPDMYGX-QGZVFWFLSA-N 0 3 348.491 1.960 20 10 EDCDHN COC(=O)[C@]1(OC)CCN(Cc2ccc(OC)c(OC)c2O)C1 ZINC000895580296 591812578 /nfs/dbraw/zinc/81/25/78/591812578.db2.gz IHOQVECQSPIPKY-INIZCTEOSA-N 0 3 325.361 1.173 20 10 EDCDHN Cc1nnc(CNC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)[nH]1 ZINC000898344625 591879279 /nfs/dbraw/zinc/87/92/79/591879279.db2.gz JLZQPQJAUHSIJX-OAHLLOKOSA-N 0 3 345.451 1.281 20 10 EDCDHN CCOC(=O)N1C[C@H](NC/C=C\c2ccc(N(C)C)cc2)[C@@H](CO)C1 ZINC000898352418 591884918 /nfs/dbraw/zinc/88/49/18/591884918.db2.gz ZPXJHVPEDLETAX-ROEZOGTPSA-N 0 3 347.459 1.805 20 10 EDCDHN CN1CCC[C@@](O)(CC(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC000901130561 592249954 /nfs/dbraw/zinc/24/99/54/592249954.db2.gz CZJQEYQHMQFODU-LJQANCHMSA-N 0 3 332.444 1.734 20 10 EDCDHN OCC1CCN(c2ccc(CNC[C@H](O)C3(O)CCCC3)cc2)CC1 ZINC000905340656 592511415 /nfs/dbraw/zinc/51/14/15/592511415.db2.gz IRMJEKXHWCFCTE-IBGZPJMESA-N 0 3 348.487 1.651 20 10 EDCDHN CN(C)C(=O)[C@@H]1CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000839640736 593361698 /nfs/dbraw/zinc/36/16/98/593361698.db2.gz QHJYRODMDVHFLY-MRXNPFEDSA-N 0 3 346.475 1.121 20 10 EDCDHN COc1cc(Br)cc(C[N@H+](C[C@@H](O)CO)C(C)C)c1[O-] ZINC000817417785 593603462 /nfs/dbraw/zinc/60/34/62/593603462.db2.gz PMYUBXAVMIEYMG-GFCCVEGCSA-N 0 3 348.237 1.727 20 10 EDCDHN COc1cc(Br)cc(C[N@@H+](C[C@@H](O)CO)C(C)C)c1[O-] ZINC000817417785 593603464 /nfs/dbraw/zinc/60/34/64/593603464.db2.gz PMYUBXAVMIEYMG-GFCCVEGCSA-N 0 3 348.237 1.727 20 10 EDCDHN C[C@@H](NC(=O)C(=O)N(C)C[C@@H]1CCCN1C)c1ccc(N(C)C)cc1 ZINC000817832176 593638639 /nfs/dbraw/zinc/63/86/39/593638639.db2.gz APIGSHZRUPLROK-PBHICJAKSA-N 0 3 346.475 1.482 20 10 EDCDHN CCN(CC)c1ccc(CN(C)C(=O)C(=O)N(C)[C@@H](C)CN)cc1 ZINC000817993144 593654498 /nfs/dbraw/zinc/65/44/98/593654498.db2.gz AFKMAGXADDXRDL-AWEZNQCLSA-N 0 3 334.464 1.297 20 10 EDCDHN Cc1cc(O)c(CN2CCN([C@@H]3CCNC(=O)CC3)CC2)cc1C ZINC000825148676 594136572 /nfs/dbraw/zinc/13/65/72/594136572.db2.gz ZJSWVCSKANIHAS-KRWDZBQOSA-N 0 3 331.460 1.795 20 10 EDCDHN CCN(Cc1cc(Br)ccc1[O-])C(=O)COCC[NH3+] ZINC000830802940 594482265 /nfs/dbraw/zinc/48/22/65/594482265.db2.gz FBOUGDDRJHFCJY-UHFFFAOYSA-N 0 3 331.210 1.479 20 10 EDCDHN CCN(CC)C(=O)CCCC(=O)NC[C@@H](N)c1ccc(N(C)C)cc1 ZINC000832279623 594739950 /nfs/dbraw/zinc/73/99/50/594739950.db2.gz KWRKAILNCDPNQI-QGZVFWFLSA-N 0 3 348.491 1.907 20 10 EDCDHN COc1cccc(C(=O)NC[C@H](N)c2ccc(N(C)C)cc2)c1O ZINC000832284380 594740231 /nfs/dbraw/zinc/74/02/31/594740231.db2.gz JYPGTJCHODYXIY-HNNXBMFYSA-N 0 3 329.400 1.897 20 10 EDCDHN Cc1ccc([C@@H](C)[NH2+]CCCCn2cc(C(N)=O)nn2)c([O-])c1C ZINC000840896464 594824475 /nfs/dbraw/zinc/82/44/75/594824475.db2.gz JTVVODVQPLBSOM-CYBMUJFWSA-N 0 3 331.420 1.830 20 10 EDCDHN CN(C)c1ccc2c(c1)OCCN2C[C@H]1CCCN(C(=O)CN)C1 ZINC000841012151 594838908 /nfs/dbraw/zinc/83/89/08/594838908.db2.gz ZDEDNJQCJNFUPL-CQSZACIVSA-N 0 3 332.448 1.149 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNC(=O)[C@H](N)c2c(F)cccc2F)cc1 ZINC000841846690 594963756 /nfs/dbraw/zinc/96/37/56/594963756.db2.gz SJOQOXHNCWJQQO-NVXWUHKLSA-N 0 3 348.397 1.847 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNC(=O)[C@@H](N)Cc2ccccc2)cc1 ZINC000841846789 594964432 /nfs/dbraw/zinc/96/44/32/594964432.db2.gz UZYMYBKDHKHRJA-ZWKOTPCHSA-N 0 3 326.444 1.439 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNC(=O)[C@@H]2CCCN2C(=O)C2CC2)cc1 ZINC000843297360 595066110 /nfs/dbraw/zinc/06/61/10/595066110.db2.gz HMYRJCOKZMWNJT-SJORKVTESA-N 0 3 344.459 1.270 20 10 EDCDHN COc1cccc([C@H](C)N[C@H]2CCN(C3CCOCC3)C2=O)c1O ZINC000846152804 595158506 /nfs/dbraw/zinc/15/85/06/595158506.db2.gz DEMCWWNRNSXQFE-WFASDCNBSA-N 0 3 334.416 1.831 20 10 EDCDHN C[C@H](C1CC1)N(C)S(=O)(=O)NC[C@@H](N)c1ccc(N(C)C)cc1 ZINC000842783939 595197274 /nfs/dbraw/zinc/19/72/74/595197274.db2.gz FVPQTTLNKWYESY-MLGOLLRUSA-N 0 3 340.493 1.317 20 10 EDCDHN O=C1[C@H](NCc2ccc(N3CCOCC3)cc2)C[C@@H]2CCCCN12 ZINC000835074157 595257528 /nfs/dbraw/zinc/25/75/28/595257528.db2.gz QMTGKHXBYCYJMU-ZWKOTPCHSA-N 0 3 329.444 1.766 20 10 EDCDHN Cc1cc(C)n([C@@H](C)C(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)n1 ZINC000844163296 595288063 /nfs/dbraw/zinc/28/80/63/595288063.db2.gz XQSCEFNSLCBLQU-WMLDXEAASA-N 0 3 329.448 1.943 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNC(=O)c2conc2C(C)(C)N)cc1 ZINC000848393100 595372967 /nfs/dbraw/zinc/37/29/67/595372967.db2.gz PUUIKZWTPVJTCW-CQSZACIVSA-N 0 3 331.420 1.364 20 10 EDCDHN Nc1ccc(CCNC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)cc1 ZINC000848613106 595417902 /nfs/dbraw/zinc/41/79/02/595417902.db2.gz CZYUJZARGZSZAV-IAGOWNOFSA-N 0 3 344.459 1.061 20 10 EDCDHN CCOC(=O)CNC(=O)C1CC[NH+](Cc2cccc(CC)c2[O-])CC1 ZINC000848891531 595463482 /nfs/dbraw/zinc/46/34/82/595463482.db2.gz ZTDQDTOCLLUJPT-UHFFFAOYSA-N 0 3 348.443 1.846 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)c2ccnc3c2CC(=O)N3)cc1 ZINC000852791739 595545040 /nfs/dbraw/zinc/54/50/40/595545040.db2.gz LHXBIMNNXSFEPU-HNNXBMFYSA-N 0 3 339.399 1.072 20 10 EDCDHN CNC(=O)NC(=O)CCN(Cc1ccco1)Cc1ccccc1O ZINC000109760917 595732803 /nfs/dbraw/zinc/73/28/03/595732803.db2.gz SYMXLDITGKDLDZ-UHFFFAOYSA-N 0 3 331.372 1.833 20 10 EDCDHN C[N@H+](CCC(=O)Nc1ccc(C(N)=O)cc1)Cc1ccccc1[O-] ZINC000109769275 595734295 /nfs/dbraw/zinc/73/42/95/595734295.db2.gz PBAUQCXVXVGDFI-UHFFFAOYSA-N 0 3 327.384 1.952 20 10 EDCDHN C[N@@H+](CCC(=O)Nc1ccc(C(N)=O)cc1)Cc1ccccc1[O-] ZINC000109769275 595734297 /nfs/dbraw/zinc/73/42/97/595734297.db2.gz PBAUQCXVXVGDFI-UHFFFAOYSA-N 0 3 327.384 1.952 20 10 EDCDHN CC(C)N(CCN1C(=O)CN(C)C1=O)Cc1ccc(N(C)C)cc1 ZINC000851731953 595900415 /nfs/dbraw/zinc/90/04/15/595900415.db2.gz DUCIQHSVCYXWLV-UHFFFAOYSA-N 0 3 332.448 1.857 20 10 EDCDHN C[C@@H](NC[C@@](O)(C(N)=O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000851950864 595982724 /nfs/dbraw/zinc/98/27/24/595982724.db2.gz TUBPRIBLIVICPR-KUHUBIRLSA-N 0 3 327.428 1.776 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1C[C@@H]3COC[C@]3(C)C1)cc2=O ZINC000852534404 596192595 /nfs/dbraw/zinc/19/25/95/596192595.db2.gz LVKSRASHFJAXJA-DIFFPNOSSA-N 0 3 346.387 1.080 20 10 EDCDHN CN(Cc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCC(=O)N(C)C1 ZINC000862428926 596327164 /nfs/dbraw/zinc/32/71/64/596327164.db2.gz WVUDMDYSIBLFBR-OAHLLOKOSA-N 0 3 335.423 1.715 20 10 EDCDHN O=C(CNCc1ccc(N2CCC(O)CC2)cc1)NCC(F)F ZINC000877494372 597524802 /nfs/dbraw/zinc/52/48/02/597524802.db2.gz KOSNRNYLFWMMGB-UHFFFAOYSA-N 0 3 327.375 1.119 20 10 EDCDHN CCOC(=O)C1CCN(C(=O)C[NH2+][C@H](C)c2ccccc2[O-])CC1 ZINC000879648059 597674088 /nfs/dbraw/zinc/67/40/88/597674088.db2.gz XHVNRKTVFZQECN-CYBMUJFWSA-N 0 3 334.416 1.845 20 10 EDCDHN CO[C@@H](CN)C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000884194421 598022688 /nfs/dbraw/zinc/02/26/88/598022688.db2.gz IXXAXZJIVAZYGB-OZVIIMIRSA-N 0 3 339.411 1.029 20 10 EDCDHN CN(C)C(=O)CN1CCCN(Cc2cc(Cl)ccc2O)CC1 ZINC000129375040 237203472 /nfs/dbraw/zinc/20/34/72/237203472.db2.gz CKRUUZKYGBSWOL-UHFFFAOYSA-N 0 3 325.840 1.642 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCC[C@@H](COC)C1)cc2=O ZINC000264927418 249338646 /nfs/dbraw/zinc/33/86/46/249338646.db2.gz ORRISTXDHSKROZ-GFCCVEGCSA-N 0 3 348.403 1.470 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@@]3(CCOC3)C1)cc2=O ZINC000370376994 250206207 /nfs/dbraw/zinc/20/62/07/250206207.db2.gz KFULMZVNJLGNIT-QGZVFWFLSA-N 0 3 346.387 1.224 20 10 EDCDHN CN(C)c1ccc(CN2CCC[C@@H](C(=O)N3CCOCC3)C2)cc1F ZINC000374316606 250259033 /nfs/dbraw/zinc/25/90/33/250259033.db2.gz INAWNLDAJKPKBZ-MRXNPFEDSA-N 0 3 349.450 1.963 20 10 EDCDHN COc1ccc([O-])c(C[NH2+][C@H]2CCCN(Cc3noc(C)n3)C2)c1 ZINC000378461060 447431946 /nfs/dbraw/zinc/43/19/46/447431946.db2.gz YAJZEQKBRYUMCH-AWEZNQCLSA-N 0 3 332.404 1.846 20 10 EDCDHN O=S(=O)(NCCNCc1ccc2c(c1)CCO2)c1cccs1 ZINC000122235400 441840372 /nfs/dbraw/zinc/84/03/72/441840372.db2.gz UMQWJPDBGOOVDU-UHFFFAOYSA-N 0 3 338.454 1.751 20 10 EDCDHN CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@@H](N(C)C)C2)cc1 ZINC000078642413 441957442 /nfs/dbraw/zinc/95/74/42/441957442.db2.gz DFXZWNFTSFMYFW-GOSISDBHSA-N 0 3 332.492 1.737 20 10 EDCDHN CC[C@]1(CO)CCCN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000189630947 442986590 /nfs/dbraw/zinc/98/65/90/442986590.db2.gz ABKHZMHLYYNQJC-LJQANCHMSA-N 0 3 333.476 1.948 20 10 EDCDHN CNC(=O)NC(=O)CC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000264628418 443353846 /nfs/dbraw/zinc/35/38/46/443353846.db2.gz UENIGHZUBRGESK-AWEZNQCLSA-N 0 3 335.404 1.219 20 10 EDCDHN CNC(=O)NC(=O)CC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000264628418 443353850 /nfs/dbraw/zinc/35/38/50/443353850.db2.gz UENIGHZUBRGESK-AWEZNQCLSA-N 0 3 335.404 1.219 20 10 EDCDHN COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2cccc(OC)c2[O-])C1 ZINC000271126383 443491384 /nfs/dbraw/zinc/49/13/84/443491384.db2.gz HLVRTDBSGHNXBY-DZGCQCFKSA-N 0 3 336.432 1.764 20 10 EDCDHN COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2cccc(OC)c2[O-])C1 ZINC000271126383 443491388 /nfs/dbraw/zinc/49/13/88/443491388.db2.gz HLVRTDBSGHNXBY-DZGCQCFKSA-N 0 3 336.432 1.764 20 10 EDCDHN CCOc1ccc(O)c(CN2C[C@@H](CO)C[C@H](OCCOC)C2)c1 ZINC000278806257 443446689 /nfs/dbraw/zinc/44/66/89/443446689.db2.gz YFFKURFEBKGYKD-YOEHRIQHSA-N 0 3 339.432 1.637 20 10 EDCDHN COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000271763593 443513197 /nfs/dbraw/zinc/51/31/97/443513197.db2.gz ZNOSUWMCJHMCOK-KBPBESRZSA-N 0 3 336.432 1.764 20 10 EDCDHN COCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000271763593 443513199 /nfs/dbraw/zinc/51/31/99/443513199.db2.gz ZNOSUWMCJHMCOK-KBPBESRZSA-N 0 3 336.432 1.764 20 10 EDCDHN CCC[C@](C)(N)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000272303952 443586268 /nfs/dbraw/zinc/58/62/68/443586268.db2.gz HMWYJESBXMOQBT-SFHVURJKSA-N 0 3 337.439 1.921 20 10 EDCDHN COc1cccc(CN[C@H]2CCCN(c3nccn(C)c3=O)C2)c1O ZINC000275574651 443631417 /nfs/dbraw/zinc/63/14/17/443631417.db2.gz OPDCTSZLKIMARI-AWEZNQCLSA-N 0 3 344.415 1.253 20 10 EDCDHN COc1cc(Cl)cc(CN2CCN(C[C@H](C)O)C[C@@H]2C)c1O ZINC000284260518 443771039 /nfs/dbraw/zinc/77/10/39/443771039.db2.gz GGROUHXKAJXETR-RYUDHWBXSA-N 0 3 328.840 1.941 20 10 EDCDHN CCOc1ccc(O)c(CN[C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)c1 ZINC000284518236 443777952 /nfs/dbraw/zinc/77/79/52/443777952.db2.gz LREZNOHMKZRBDO-RDTXWAMCSA-N 0 3 344.415 1.586 20 10 EDCDHN CN1CCCN(C(=O)NCc2ccc(N3CCOCC3)cc2)CC1 ZINC000299107982 443956897 /nfs/dbraw/zinc/95/68/97/443956897.db2.gz OAOXFGNRDAGVMJ-UHFFFAOYSA-N 0 3 332.448 1.370 20 10 EDCDHN CN(C)c1ccc(CNC(=O)CN2CCC[C@@]2(C)CCCO)cc1 ZINC000299530745 444071151 /nfs/dbraw/zinc/07/11/51/444071151.db2.gz DSCKCMRWAQFHLB-IBGZPJMESA-N 0 3 333.476 1.996 20 10 EDCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N(C)CCN(C)C ZINC000297806240 444337030 /nfs/dbraw/zinc/33/70/30/444337030.db2.gz KOMRNMOUHXPRMX-UHFFFAOYSA-N 0 3 334.464 1.121 20 10 EDCDHN CCOc1cccc(CN2CC[C@H](n3cc(C(=O)OC)nn3)C2)c1O ZINC000363919491 445884632 /nfs/dbraw/zinc/88/46/32/445884632.db2.gz JWPNBZKQVNYWML-ZDUSSCGKSA-N 0 3 346.387 1.616 20 10 EDCDHN COC(=O)c1cn([C@H]2CC[N@H+](Cc3cc(C)c(C)cc3[O-])C2)nn1 ZINC000373375697 446188481 /nfs/dbraw/zinc/18/84/81/446188481.db2.gz DQAYWVTVKXSEJX-AWEZNQCLSA-N 0 3 330.388 1.834 20 10 EDCDHN COC(=O)c1cn([C@H]2CC[N@@H+](Cc3cc(C)c(C)cc3[O-])C2)nn1 ZINC000373375697 446188489 /nfs/dbraw/zinc/18/84/89/446188489.db2.gz DQAYWVTVKXSEJX-AWEZNQCLSA-N 0 3 330.388 1.834 20 10 EDCDHN COC(=O)c1cn([C@H]2CCN(Cc3cc(C)c(C)cc3O)C2)nn1 ZINC000373375697 446188495 /nfs/dbraw/zinc/18/84/95/446188495.db2.gz DQAYWVTVKXSEJX-AWEZNQCLSA-N 0 3 330.388 1.834 20 10 EDCDHN Cc1cc(O)c(CN2CC[C@]3(C2)NC(=O)N(C(C)C)C3=O)cc1C ZINC000366538001 446253860 /nfs/dbraw/zinc/25/38/60/446253860.db2.gz VFTSJXCPVODJGC-GOSISDBHSA-N 0 3 331.416 1.914 20 10 EDCDHN CN(C)c1ccc(CN(C)C(=O)CN2CC[C@](O)(C3CC3)C2)cc1 ZINC000365848178 446369738 /nfs/dbraw/zinc/36/97/38/446369738.db2.gz NHBCKMMMVYLQKR-LJQANCHMSA-N 0 3 331.460 1.558 20 10 EDCDHN CN(C)S(=O)(=O)NCC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000298126318 521962880 /nfs/dbraw/zinc/96/28/80/521962880.db2.gz PQUZHWHWIIWPRM-UHFFFAOYSA-N 0 3 349.456 1.545 20 10 EDCDHN CCN(CC)c1ccc(CNC(=O)NC2CCN(CCO)CC2)cc1 ZINC000732451482 578712916 /nfs/dbraw/zinc/71/29/16/578712916.db2.gz WLAZZLUBWRODPU-UHFFFAOYSA-N 0 3 348.491 1.789 20 10 EDCDHN COc1ccc(O)c([C@@H](C)NC(=O)NC2CCN(CCO)CC2)c1 ZINC000732465636 578714110 /nfs/dbraw/zinc/71/41/10/578714110.db2.gz FERPVSCZZJQBNL-GFCCVEGCSA-N 0 3 337.420 1.218 20 10 EDCDHN COc1cccc([O-])c1C[NH2+]C1CCN(S(=O)(=O)C2CC2)CC1 ZINC000754046367 579894678 /nfs/dbraw/zinc/89/46/78/579894678.db2.gz LJLNDGIQNUEPKW-UHFFFAOYSA-N 0 3 340.445 1.447 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCN(CC)[C@H](C)C1)cc2=O ZINC000754385593 579902479 /nfs/dbraw/zinc/90/24/79/579902479.db2.gz JBBCBCNDKMRZSB-GFCCVEGCSA-N 0 3 347.419 1.138 20 10 EDCDHN CNS(=O)(=O)C[C@H]1CCCN1Cc1cc2c(cc1O)CCCC2 ZINC000768464445 580213968 /nfs/dbraw/zinc/21/39/68/580213968.db2.gz RMFCJOLFFCEFKM-MRXNPFEDSA-N 0 3 338.473 1.785 20 10 EDCDHN COc1ccc(N2CCN(C3CCN(C(C)=O)CC3)CC2)cc1F ZINC000770303691 580257715 /nfs/dbraw/zinc/25/77/15/580257715.db2.gz YCMKGJZXYWYYIM-UHFFFAOYSA-N 0 3 335.423 1.967 20 10 EDCDHN CCOc1ccc(C[N@@H+]2C[C@H](CO)C[C@H](OCCOC)C2)c([O-])c1 ZINC000775206695 580385683 /nfs/dbraw/zinc/38/56/83/580385683.db2.gz XQUIDMLDHONXPA-PBHICJAKSA-N 0 3 339.432 1.637 20 10 EDCDHN CCOc1ccc(C[N@H+]2C[C@H](CO)C[C@H](OCCOC)C2)c([O-])c1 ZINC000775206695 580385684 /nfs/dbraw/zinc/38/56/84/580385684.db2.gz XQUIDMLDHONXPA-PBHICJAKSA-N 0 3 339.432 1.637 20 10 EDCDHN Cc1cc(C)c(O)c(CN2CCC[C@@H](S(=O)(=O)N(C)C)C2)c1 ZINC000795654633 580932949 /nfs/dbraw/zinc/93/29/49/580932949.db2.gz UQYFIJJKFNGYFQ-OAHLLOKOSA-N 0 3 326.462 1.865 20 10 EDCDHN COc1ccc(O)c([C@H](C)NS(=O)(=O)CCCN2CCCC2)c1 ZINC000866841543 590627533 /nfs/dbraw/zinc/62/75/33/590627533.db2.gz FYKQZKZWUBBKEH-ZDUSSCGKSA-N 0 3 342.461 1.867 20 10 EDCDHN COCc1nc2n(n1)C[C@@H]([NH2+]Cc1ccc(OC)c(OC)c1[O-])CC2 ZINC000893133486 590675441 /nfs/dbraw/zinc/67/54/41/590675441.db2.gz BUCQMMVDBWJIFG-LBPRGKRZSA-N 0 3 348.403 1.252 20 10 EDCDHN COCCOC[C@@H]1CC[N@H+](Cc2ccc(OC)c(OC)c2[O-])C1 ZINC000892132899 590816148 /nfs/dbraw/zinc/81/61/48/590816148.db2.gz BAESOBKBSQGIDM-CYBMUJFWSA-N 0 3 325.405 1.894 20 10 EDCDHN COCCOC[C@@H]1CC[N@@H+](Cc2ccc(OC)c(OC)c2[O-])C1 ZINC000892132899 590816150 /nfs/dbraw/zinc/81/61/50/590816150.db2.gz BAESOBKBSQGIDM-CYBMUJFWSA-N 0 3 325.405 1.894 20 10 EDCDHN COC[C@@](C)(CC(=O)OC)NCc1ccc(OC)c(OC)c1O ZINC000893557930 590959259 /nfs/dbraw/zinc/95/92/59/590959259.db2.gz IUQOATKWBISYPD-MRXNPFEDSA-N 0 3 327.377 1.467 20 10 EDCDHN Cc1ccnn1CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891246044 591015458 /nfs/dbraw/zinc/01/54/58/591015458.db2.gz LRYDXCGGXCUVRA-KRWDZBQOSA-N 0 3 329.448 1.677 20 10 EDCDHN Cc1cnc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cn1 ZINC000891258575 591022823 /nfs/dbraw/zinc/02/28/23/591022823.db2.gz UVIIPLOJCLKWSR-QGZVFWFLSA-N 0 3 327.432 1.884 20 10 EDCDHN Cc1ccc(C[NH2+][C@@H]2CCCN(CCN3CCOCC3)C2)c([O-])c1 ZINC000895686506 591248799 /nfs/dbraw/zinc/24/87/99/591248799.db2.gz SSBGDVJJILIBMO-GOSISDBHSA-N 0 3 333.476 1.587 20 10 EDCDHN COc1cc(C)cc(CN2CCC[C@H](n3cc(CO)nn3)C2)c1O ZINC000894859393 591448113 /nfs/dbraw/zinc/44/81/13/591448113.db2.gz IHODLSUDJHQLDV-HNNXBMFYSA-N 0 3 332.404 1.630 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)N(C)Cc2c[nH]cn2)N(C)C)cc1 ZINC000899099217 591689431 /nfs/dbraw/zinc/68/94/31/591689431.db2.gz XAGAQVDLMYQPQZ-KRWDZBQOSA-N 0 3 344.463 1.920 20 10 EDCDHN COc1ccc(CN2CCC3(CCNC(=O)O3)CC2)c(O)c1OC ZINC000897010782 591714429 /nfs/dbraw/zinc/71/44/29/591714429.db2.gz OACLOKNKIJDSND-UHFFFAOYSA-N 0 3 336.388 1.874 20 10 EDCDHN CN(C)c1ccc([C@H](CN2C(=O)N[C@@]3(CCOC3)C2=O)N(C)C)cc1 ZINC000900185556 591932685 /nfs/dbraw/zinc/93/26/85/591932685.db2.gz ORAYLBQEDCWTHX-MAUKXSAKSA-N 0 3 346.431 1.066 20 10 EDCDHN CN(C)c1ccc([C@H](CN2C(=O)[C@H]3COCCN3C2=O)N(C)C)cc1 ZINC000900185877 591933073 /nfs/dbraw/zinc/93/30/73/591933073.db2.gz UCTNLUZWHBIIAO-JKSUJKDBSA-N 0 3 346.431 1.018 20 10 EDCDHN C[C@@H](NC(=O)C12CCN(CC1)C2)c1ccc(N2CCOCC2)cc1 ZINC000900386665 592003025 /nfs/dbraw/zinc/00/30/25/592003025.db2.gz BWQBKEDRWLTVFW-OAHLLOKOSA-N 0 3 329.444 1.796 20 10 EDCDHN COc1ccc(N2CCN(C[C@H](O)CNC/C=C\Cl)CC2)cc1 ZINC000905708689 592618778 /nfs/dbraw/zinc/61/87/78/592618778.db2.gz RPXXBOAUMSUIGA-CGGYKVPPSA-N 0 3 339.867 1.520 20 10 EDCDHN COc1ccc(N2CCN(C[C@H](O)CNC/C=C/Cl)CC2)cc1 ZINC000905708690 592619094 /nfs/dbraw/zinc/61/90/94/592619094.db2.gz RPXXBOAUMSUIGA-MPUHIQPUSA-N 0 3 339.867 1.520 20 10 EDCDHN O=C(NCc1ccc(O)cc1O)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000910950824 592903831 /nfs/dbraw/zinc/90/38/31/592903831.db2.gz JSDJABSXWHXUPW-IBGZPJMESA-N 0 3 342.395 1.351 20 10 EDCDHN C[C@@H](NC(=O)C(=O)N1C[C@@H](N)C(C)(C)C1)c1ccc(N(C)C)cc1 ZINC000911225294 592969042 /nfs/dbraw/zinc/96/90/42/592969042.db2.gz FOTUXWJWSLMBSE-IUODEOHRSA-N 0 3 332.448 1.126 20 10 EDCDHN C[C@H](N)c1nc(C(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)cs1 ZINC000911665950 592973516 /nfs/dbraw/zinc/97/35/16/592973516.db2.gz GDPHXLMZGABPNG-GXFFZTMASA-N 0 3 333.461 1.659 20 10 EDCDHN CC(C)(C[C@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1)C(N)=O ZINC000840109457 593190692 /nfs/dbraw/zinc/19/06/92/593190692.db2.gz OVECOOZPBYXKRL-MLGOLLRUSA-N 0 3 348.443 1.932 20 10 EDCDHN CC(C)(C[C@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1)C(N)=O ZINC000840109457 593190693 /nfs/dbraw/zinc/19/06/93/593190693.db2.gz OVECOOZPBYXKRL-MLGOLLRUSA-N 0 3 348.443 1.932 20 10 EDCDHN COCCCNC(=O)CN[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000839540525 593337490 /nfs/dbraw/zinc/33/74/90/593337490.db2.gz AUWAJZLEPIHOLL-HNNXBMFYSA-N 0 3 335.448 1.327 20 10 EDCDHN COc1ccc(N2CC[C@@H](CN[C@H](C)CS(C)(=O)=O)C2)cc1 ZINC000818341785 593693865 /nfs/dbraw/zinc/69/38/65/593693865.db2.gz GHOMUAQAUJGVJD-KGLIPLIRSA-N 0 3 326.462 1.544 20 10 EDCDHN COC[C@H](O)CNCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000818964044 593730846 /nfs/dbraw/zinc/73/08/46/593730846.db2.gz IWIUHZYVABNVKR-CQSZACIVSA-N 0 3 348.365 1.639 20 10 EDCDHN CC1CCN(c2ccc(CNC[C@@H](O)CN3CCOCC3)cc2)CC1 ZINC000819039503 593735132 /nfs/dbraw/zinc/73/51/32/593735132.db2.gz RDLZQHADUXLFRY-HXUWFJFHSA-N 0 3 347.503 1.706 20 10 EDCDHN COC1CCN(c2ccc(CN(C)[C@]3(CO)CCOC3)cc2)CC1 ZINC000828762492 594497326 /nfs/dbraw/zinc/49/73/26/594497326.db2.gz YKESXUIUMDLHLC-IBGZPJMESA-N 0 3 334.460 1.885 20 10 EDCDHN O=C1OCCN1[C@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000826995712 594619561 /nfs/dbraw/zinc/61/95/61/594619561.db2.gz ZOLBHHIUAJCQBA-KRWDZBQOSA-N 0 3 331.416 1.550 20 10 EDCDHN NC(C(=O)NCc1ccc(N2CCSCC2)cc1)C(F)(F)F ZINC000827321044 594660801 /nfs/dbraw/zinc/66/08/01/594660801.db2.gz SSSFWSJEAOLHSG-LBPRGKRZSA-N 0 3 333.379 1.746 20 10 EDCDHN NC(C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)C(F)(F)F ZINC000827364311 594665022 /nfs/dbraw/zinc/66/50/22/594665022.db2.gz HLHSPTDQUDQSOM-ZDUSSCGKSA-N 0 3 349.328 1.293 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNC(=O)[C@H]2CSCCS2)cc1 ZINC000832265886 594738937 /nfs/dbraw/zinc/73/89/37/594738937.db2.gz AXKFAOSQITVUAI-ZIAGYGMSSA-N 0 3 325.503 1.717 20 10 EDCDHN C[C@H](NC(=O)C1CCCC1)C(=O)NC[C@H](N)c1ccc(N(C)C)cc1 ZINC000832273317 594739706 /nfs/dbraw/zinc/73/97/06/594739706.db2.gz NHUCUKAQDNJUFB-GUYCJALGSA-N 0 3 346.475 1.564 20 10 EDCDHN C[C@@H]1CCCN(C(=O)C(=O)NC[C@H](N)c2ccc(N(C)C)cc2)C1 ZINC000832283949 594740273 /nfs/dbraw/zinc/74/02/73/594740273.db2.gz DMLXDJXTOUCJQJ-CJNGLKHVSA-N 0 3 332.448 1.127 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)[C@H]2COc3ccccc3O2)cc1 ZINC000832293586 594740733 /nfs/dbraw/zinc/74/07/33/594740733.db2.gz YEGDNYHDACVVIF-MAUKXSAKSA-N 0 3 341.411 1.709 20 10 EDCDHN CCN1C(=O)[C@@H]2CN(Cc3ccc(N(C)C)cc3C)CCN2C1=O ZINC000840923904 594828685 /nfs/dbraw/zinc/82/86/85/594828685.db2.gz WSQCXBLVZULIAR-INIZCTEOSA-N 0 3 330.432 1.529 20 10 EDCDHN CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000841018578 594840208 /nfs/dbraw/zinc/84/02/08/594840208.db2.gz XBNXTXKRLRRULU-UHFFFAOYSA-N 0 3 339.395 1.635 20 10 EDCDHN CCCC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1 ZINC000843298474 595065832 /nfs/dbraw/zinc/06/58/32/595065832.db2.gz NGBYDVQKSKNHNA-IAGOWNOFSA-N 0 3 346.475 1.660 20 10 EDCDHN COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)CC[C@H](C)[NH3+] ZINC000843489072 595127429 /nfs/dbraw/zinc/12/74/29/595127429.db2.gz CQSWEOLWJATOEJ-JTQLQIEISA-N 0 3 328.796 1.675 20 10 EDCDHN COc1cccc([C@@H](C)[NH2+]CCCCn2cc(C(N)=O)nn2)c1[O-] ZINC000846175473 595165369 /nfs/dbraw/zinc/16/53/69/595165369.db2.gz ZYMGBQIXWUEHHC-LLVKDONJSA-N 0 3 333.392 1.222 20 10 EDCDHN [O-]c1cccc2c1[C@H]([NH2+][C@@H]1CCN(CCN3CCOCC3)C1)CC2 ZINC000834590128 595169868 /nfs/dbraw/zinc/16/98/68/595169868.db2.gz RBDWXPVKYHIRRR-IAGOWNOFSA-N 0 3 331.460 1.376 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNS(=O)(=O)c2cncc(F)c2)cc1 ZINC000842785507 595198244 /nfs/dbraw/zinc/19/82/44/595198244.db2.gz SLFUSFLDAXLVDX-HNNXBMFYSA-N 0 3 338.408 1.265 20 10 EDCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@]2(O)CCS(=O)(=O)C2)c1[O-] ZINC000834871819 595236513 /nfs/dbraw/zinc/23/65/13/595236513.db2.gz SZFZZEFKJKUAPN-YGRLFVJLSA-N 0 3 333.837 1.554 20 10 EDCDHN CN(C)CCN1C[C@H](C(=O)NCc2cc(Cl)ccc2O)CC1=O ZINC000846474716 595244435 /nfs/dbraw/zinc/24/44/35/595244435.db2.gz ASBNCLGKJPQCHL-GFCCVEGCSA-N 0 3 339.823 1.072 20 10 EDCDHN Cc1c(CCC(=O)NC[C@H](N)c2ccc(N(C)C)cc2)cnn1C ZINC000844162648 595288011 /nfs/dbraw/zinc/28/80/11/595288011.db2.gz KTNIJPJENWBRFT-KRWDZBQOSA-N 0 3 329.448 1.543 20 10 EDCDHN COc1ccc(N2CC[C@H](CNC(=O)CN3CC[C@H](C)C3)C2)cc1 ZINC000848229077 595342823 /nfs/dbraw/zinc/34/28/23/595342823.db2.gz GNHXTOMXXJFUQX-JKSUJKDBSA-N 0 3 331.460 1.980 20 10 EDCDHN CCc1cccc(C[NH+]2CCC(C(=O)N3CCN(C)CC3)CC2)c1[O-] ZINC000848910907 595466438 /nfs/dbraw/zinc/46/64/38/595466438.db2.gz OGAPHPHKLCPSAO-UHFFFAOYSA-N 0 3 345.487 1.941 20 10 EDCDHN CN(C)c1ccc(CN(C)C(=O)CN(C)[C@H](CN)C(F)(F)F)cc1 ZINC000852762365 595532507 /nfs/dbraw/zinc/53/25/07/595532507.db2.gz KYLMETLGOSQBNH-CQSZACIVSA-N 0 3 346.397 1.532 20 10 EDCDHN COc1cccc(C[NH2+]C[C@@H]2CN(Cc3ccncc3)CCO2)c1[O-] ZINC000858306965 595759970 /nfs/dbraw/zinc/75/99/70/595759970.db2.gz XFGIGRIKXROMRR-QGZVFWFLSA-N 0 3 343.427 1.786 20 10 EDCDHN COc1cc(CN[C@@H]2CCC(=O)N(C)C2=O)c(O)c(C(C)(C)C)c1 ZINC000850332893 595811096 /nfs/dbraw/zinc/81/10/96/595811096.db2.gz YJRPMUAPDXYGQZ-CQSZACIVSA-N 0 3 334.416 1.935 20 10 EDCDHN COc1ccc(O)c(CNC(=O)NC2CCN([C@@H]3CCOC3)CC2)c1 ZINC000853736660 595867053 /nfs/dbraw/zinc/86/70/53/595867053.db2.gz JOJOPOJJQSLWAG-OAHLLOKOSA-N 0 3 349.431 1.453 20 10 EDCDHN COc1ccc(N2CCCN(C[C@H](O)CC3(O)CCC3)CC2)cc1 ZINC000859086797 595971819 /nfs/dbraw/zinc/97/18/19/595971819.db2.gz OKEXAQXTCXAVBK-QGZVFWFLSA-N 0 3 334.460 1.873 20 10 EDCDHN Cc1ccc(C(=O)N2CCC([N@@H+]3CCCOCC3)CC2)c([O-])c1O ZINC000861985636 596170450 /nfs/dbraw/zinc/17/04/50/596170450.db2.gz ZMQXHYCJRZIHDW-UHFFFAOYSA-N 0 3 334.416 1.733 20 10 EDCDHN Cc1ccc(C(=O)N2CCC([N@H+]3CCCOCC3)CC2)c([O-])c1O ZINC000861985636 596170452 /nfs/dbraw/zinc/17/04/52/596170452.db2.gz ZMQXHYCJRZIHDW-UHFFFAOYSA-N 0 3 334.416 1.733 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNS(=O)(=O)C[C@H]2CCC2(F)F)cc1 ZINC000866756965 596325152 /nfs/dbraw/zinc/32/51/52/596325152.db2.gz FAZVLEQJDTWKCE-TZMCWYRMSA-N 0 3 347.431 1.717 20 10 EDCDHN C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@H](C)c1ccccc1O ZINC000868509159 596865991 /nfs/dbraw/zinc/86/59/91/596865991.db2.gz BFDJSRUACKSTRD-HUUCEWRRSA-N 0 3 334.464 1.778 20 10 EDCDHN COC[C@]1(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CCCCN1 ZINC000876959870 597397598 /nfs/dbraw/zinc/39/75/98/597397598.db2.gz QGYWFNMJZQJUML-KXBFYZLASA-N 0 3 347.459 1.549 20 10 EDCDHN CN(Cc1ccc(N2CCC(O)CC2)cc1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000877557582 597535012 /nfs/dbraw/zinc/53/50/12/597535012.db2.gz USFOXHYQHYINKP-UXHICEINSA-N 0 3 345.487 1.553 20 10 EDCDHN C[C@@H]1CN(Cc2ccc(N3CCC(O)CC3)cc2)[C@H](C)CN1CCO ZINC000877591934 597539631 /nfs/dbraw/zinc/53/96/31/597539631.db2.gz BLFNHUDNKMLDAH-IAGOWNOFSA-N 0 3 347.503 1.535 20 10 EDCDHN CCOC(=O)[C@@H]1CCCN(C(=O)C[NH2+][C@H](C)c2ccccc2[O-])C1 ZINC000879648875 597673918 /nfs/dbraw/zinc/67/39/18/597673918.db2.gz FMLRGOQNAXTKON-ZIAGYGMSSA-N 0 3 334.416 1.845 20 10 EDCDHN CC[C@H](N)c1cn(CC(=O)N(C)Cc2ccc(N(C)C)cc2)nn1 ZINC000881083943 598069755 /nfs/dbraw/zinc/06/97/55/598069755.db2.gz OAGVFWJHQYIMGO-HNNXBMFYSA-N 0 3 330.436 1.413 20 10 EDCDHN CC(C)N(CC(=O)NC(=O)NC1CC1)Cc1ccc(N(C)C)cc1 ZINC000917074625 696908971 /nfs/dbraw/zinc/90/89/71/696908971.db2.gz DDINNULEAKCQCD-UHFFFAOYSA-N 0 3 332.448 1.951 20 10 EDCDHN C[C@H]1[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CCCN1CCO ZINC000994495353 696935326 /nfs/dbraw/zinc/93/53/26/696935326.db2.gz NZMGGPOWAJFCIF-FZMZJTMJSA-N 0 3 333.392 1.424 20 10 EDCDHN CS(=O)(=O)Nc1ccc(O)c(C(=O)OCCN2CCCCC2)c1 ZINC000920636857 697457133 /nfs/dbraw/zinc/45/71/33/697457133.db2.gz OHNFLXGMAMARQZ-UHFFFAOYSA-N 0 3 342.417 1.406 20 10 EDCDHN CCN1CCN([C@H](C)CNC(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000180776619 699006407 /nfs/dbraw/zinc/00/64/07/699006407.db2.gz LCVANZKIIDITFP-HZRUHFOJSA-N 0 3 333.432 1.253 20 10 EDCDHN CCS(=O)(=O)C[C@@H](C)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000089634282 237005099 /nfs/dbraw/zinc/00/50/99/237005099.db2.gz ONJZDYUIYBWQJU-CABCVRRESA-N 0 3 340.489 1.997 20 10 EDCDHN CN1CCC(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)CC1 ZINC000266899906 249350307 /nfs/dbraw/zinc/35/03/07/249350307.db2.gz PFRYKDRSDVFLBO-UHFFFAOYSA-N 0 3 345.487 1.853 20 10 EDCDHN CCc1nc(CN2C[C@@H]3C[N@@H+](Cc4ccccc4[O-])C[C@@H]3C2)no1 ZINC000378500336 447435534 /nfs/dbraw/zinc/43/55/34/447435534.db2.gz UEJBXXBXCOSUDY-GASCZTMLSA-N 0 3 328.416 1.901 20 10 EDCDHN CCc1nc(CN2C[C@@H]3C[N@H+](Cc4ccccc4[O-])C[C@@H]3C2)no1 ZINC000378500336 447435541 /nfs/dbraw/zinc/43/55/41/447435541.db2.gz UEJBXXBXCOSUDY-GASCZTMLSA-N 0 3 328.416 1.901 20 10 EDCDHN [O-]c1ccccc1C[N@H+](C[C@H](O)Cn1cccn1)C[C@H]1CCCO1 ZINC000171922966 442391235 /nfs/dbraw/zinc/39/12/35/442391235.db2.gz VGWVBEDTTOYNKY-DLBZAZTESA-N 0 3 331.416 1.631 20 10 EDCDHN [O-]c1ccccc1C[N@@H+](C[C@H](O)Cn1cccn1)C[C@H]1CCCO1 ZINC000171922966 442391237 /nfs/dbraw/zinc/39/12/37/442391237.db2.gz VGWVBEDTTOYNKY-DLBZAZTESA-N 0 3 331.416 1.631 20 10 EDCDHN C[C@H](NC[C@@H](O)c1cnn(C)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000268865821 443131372 /nfs/dbraw/zinc/13/13/72/443131372.db2.gz GDOBHWFVVCZGFW-SCLBCKFNSA-N 0 3 348.422 1.780 20 10 EDCDHN CCC[C@H](N)C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000272467204 443328626 /nfs/dbraw/zinc/32/86/26/443328626.db2.gz PPJVAIOEJBLJLW-KRWDZBQOSA-N 0 3 334.464 1.061 20 10 EDCDHN CCN1CCN(c2ccc(CNC(=O)c3nnc[nH]3)cc2F)CC1 ZINC000269558347 443347926 /nfs/dbraw/zinc/34/79/26/443347926.db2.gz QDBQNGCFWCMAEC-UHFFFAOYSA-N 0 3 332.383 1.016 20 10 EDCDHN CCN1CCN(c2ccc(CNC(=O)c3ncn[nH]3)cc2F)CC1 ZINC000269558347 443347930 /nfs/dbraw/zinc/34/79/30/443347930.db2.gz QDBQNGCFWCMAEC-UHFFFAOYSA-N 0 3 332.383 1.016 20 10 EDCDHN CCN1CCN(c2ccc(CNC(=O)c3nc[nH]n3)cc2F)CC1 ZINC000269558347 443347933 /nfs/dbraw/zinc/34/79/33/443347933.db2.gz QDBQNGCFWCMAEC-UHFFFAOYSA-N 0 3 332.383 1.016 20 10 EDCDHN COc1c([O-])c(C[NH2+]C[C@H](O)CN2CCCCC2)ccc1[N+](=O)[O-] ZINC000278566877 443363547 /nfs/dbraw/zinc/36/35/47/443363547.db2.gz CAPVMQGDDKFQRJ-ZDUSSCGKSA-N 0 3 339.392 1.245 20 10 EDCDHN COc1c([O-])c(CNC[C@H](O)C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000278566877 443363551 /nfs/dbraw/zinc/36/35/51/443363551.db2.gz CAPVMQGDDKFQRJ-ZDUSSCGKSA-N 0 3 339.392 1.245 20 10 EDCDHN COCCOC[C@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2[O-])C1 ZINC000271066189 443489807 /nfs/dbraw/zinc/48/98/07/443489807.db2.gz CIYURZOFGCERGM-ZDUSSCGKSA-N 0 3 325.405 1.894 20 10 EDCDHN COCCOC[C@H]1CC[N@@H+](Cc2cc(OC)c(OC)cc2[O-])C1 ZINC000271066189 443489811 /nfs/dbraw/zinc/48/98/11/443489811.db2.gz CIYURZOFGCERGM-ZDUSSCGKSA-N 0 3 325.405 1.894 20 10 EDCDHN CCOC(=O)[C@@](C)(O)CN(C)Cc1ccc(N2CCOCC2)cc1 ZINC000274689803 443610001 /nfs/dbraw/zinc/61/00/01/443610001.db2.gz ZXYWDOQXNMFYAN-SFHVURJKSA-N 0 3 336.432 1.269 20 10 EDCDHN Cn1nccc1[C@H]1[C@H]([NH2+]Cc2cc(F)ccc2[O-])CCC(=O)N1C ZINC000284905094 443792948 /nfs/dbraw/zinc/79/29/48/443792948.db2.gz SDZBYTYFRFKBJS-CXAGYDPISA-N 0 3 332.379 1.717 20 10 EDCDHN COc1cccc(CNC[C@H](N2CCOCC2)C(F)(F)F)c1O ZINC000285643697 444058308 /nfs/dbraw/zinc/05/83/08/444058308.db2.gz ZLQQPRGPFCRDGS-ZDUSSCGKSA-N 0 3 334.338 1.754 20 10 EDCDHN CN(C)CC[N@H+](C)CCCN(C)C(=O)c1c([O-])c(O)ccc1F ZINC000295525021 444188176 /nfs/dbraw/zinc/18/81/76/444188176.db2.gz PREUAXIOPHAEDK-UHFFFAOYSA-N 0 3 327.400 1.192 20 10 EDCDHN CN(C)CC[N@@H+](C)CCCN(C)C(=O)c1c([O-])c(O)ccc1F ZINC000295525021 444188179 /nfs/dbraw/zinc/18/81/79/444188179.db2.gz PREUAXIOPHAEDK-UHFFFAOYSA-N 0 3 327.400 1.192 20 10 EDCDHN CN(CCCN(C)C(=O)c1c([O-])c(O)ccc1F)CC[NH+](C)C ZINC000295525021 444188181 /nfs/dbraw/zinc/18/81/81/444188181.db2.gz PREUAXIOPHAEDK-UHFFFAOYSA-N 0 3 327.400 1.192 20 10 EDCDHN CCN(Cc1cc(Br)ccc1O)C(=O)[C@H](CN)OC ZINC000290073606 444238548 /nfs/dbraw/zinc/23/85/48/444238548.db2.gz VOZMJCMCALFHJU-LBPRGKRZSA-N 0 3 331.210 1.477 20 10 EDCDHN CCCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@H](N(C)C)C1 ZINC000297975118 444373963 /nfs/dbraw/zinc/37/39/63/444373963.db2.gz HWMNKBNDGWXURZ-INIZCTEOSA-N 0 3 347.459 1.683 20 10 EDCDHN Cc1cc(N2CCC[C@H]([NH2+]Cc3cc4c(cc3[O-])OCO4)C2)n(C)n1 ZINC000365554254 446251848 /nfs/dbraw/zinc/25/18/48/446251848.db2.gz JXINTVFUUVPKJH-AWEZNQCLSA-N 0 3 344.415 1.921 20 10 EDCDHN COc1ccc(O)c(CN[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)c1 ZINC000367699902 446576730 /nfs/dbraw/zinc/57/67/30/446576730.db2.gz ATGCMNSXUUQIKS-CYBMUJFWSA-N 0 3 340.445 1.447 20 10 EDCDHN COc1ccc([O-])c(C[NH2+][C@@H]2CCCN(S(=O)(=O)C3CC3)C2)c1 ZINC000367699902 446576733 /nfs/dbraw/zinc/57/67/33/446576733.db2.gz ATGCMNSXUUQIKS-CYBMUJFWSA-N 0 3 340.445 1.447 20 10 EDCDHN C[C@]1(O)CCOC[C@H]1[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000375408075 446780268 /nfs/dbraw/zinc/78/02/68/446780268.db2.gz AJKBQGLKRRUCGD-DEYYWGMASA-N 0 3 335.400 1.873 20 10 EDCDHN C[C@]1(O)CCOC[C@H]1[C@@H]1CCC[N@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000375408075 446780271 /nfs/dbraw/zinc/78/02/71/446780271.db2.gz AJKBQGLKRRUCGD-DEYYWGMASA-N 0 3 335.400 1.873 20 10 EDCDHN CCN1CCO[C@H](CN2CCN(Cc3cc(OC)ccc3O)CC2)C1 ZINC000371422013 446845204 /nfs/dbraw/zinc/84/52/04/446845204.db2.gz CQBPJLXHCHURDH-SFHVURJKSA-N 0 3 349.475 1.239 20 10 EDCDHN Cc1nccc(CN2CCC[C@H]([NH2+]Cc3cc(F)ccc3[O-])C2=O)n1 ZINC000368626905 446989788 /nfs/dbraw/zinc/98/97/88/446989788.db2.gz VIFPVSRWOBUPLT-INIZCTEOSA-N 0 3 344.390 1.911 20 10 EDCDHN OCCn1ncc2c1CCC[C@H]2NCc1cc2c(cc1O)OCO2 ZINC000368787935 447107741 /nfs/dbraw/zinc/10/77/41/447107741.db2.gz GLYWDRYUJIWHJB-CYBMUJFWSA-N 0 3 331.372 1.477 20 10 EDCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@]2(CO)COCC3(CCC3)N2C)c([O-])c1 ZINC000527956545 448398896 /nfs/dbraw/zinc/39/88/96/448398896.db2.gz PYNDAXCJJSGAOS-DNVCBOLYSA-N 0 3 334.460 1.967 20 10 EDCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174374693 528147937 /nfs/dbraw/zinc/14/79/37/528147937.db2.gz GZPOHCHTOBESHJ-HNNXBMFYSA-N 0 3 334.376 1.770 20 10 EDCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174374693 528147941 /nfs/dbraw/zinc/14/79/41/528147941.db2.gz GZPOHCHTOBESHJ-HNNXBMFYSA-N 0 3 334.376 1.770 20 10 EDCDHN O=C(CNC1(C2CC2)CC1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000754356911 579901779 /nfs/dbraw/zinc/90/17/79/579901779.db2.gz APNPRFLFOUJODV-UHFFFAOYSA-N 0 3 347.434 1.811 20 10 EDCDHN COc1ccc(N2CCN(C(=O)CN[C@@]3(C)CCO[C@H]3C)CC2)cc1 ZINC000755167657 579921822 /nfs/dbraw/zinc/92/18/22/579921822.db2.gz DUOZUFVNFUVINT-KXBFYZLASA-N 0 3 347.459 1.501 20 10 EDCDHN C[C@@H]1C[C@H]([NH2+]CCOCCS(C)(=O)=O)c2c1c(F)ccc2[O-] ZINC000756734799 579956231 /nfs/dbraw/zinc/95/62/31/579956231.db2.gz ZTRLVKSLABZELB-PWSUYJOCSA-N 0 3 331.409 1.730 20 10 EDCDHN CCCN(CC[NH+](C)C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000763237243 580096040 /nfs/dbraw/zinc/09/60/40/580096040.db2.gz NGVRGLJFMJATIX-UHFFFAOYSA-N 0 3 343.449 1.178 20 10 EDCDHN C[C@@H](O)CNC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 ZINC000765533942 580145149 /nfs/dbraw/zinc/14/51/49/580145149.db2.gz AMTUSBGHZSKISX-OAHLLOKOSA-N 0 3 346.475 1.399 20 10 EDCDHN O=C(NC1CC[NH+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1)C1CC1 ZINC000768439021 580212731 /nfs/dbraw/zinc/21/27/31/580212731.db2.gz FGBKDXVRPWHZOX-INIZCTEOSA-N 0 3 332.400 1.309 20 10 EDCDHN [O-]c1cc2c(cc1C[NH+]1CCC(OC[C@H]3CCCO3)CC1)[C@@H](O)CO2 ZINC000768463014 580213870 /nfs/dbraw/zinc/21/38/70/580213870.db2.gz DZNKDKIRJJBEID-QAPCUYQASA-N 0 3 349.427 1.978 20 10 EDCDHN CCN1CCN(C(=O)[C@H](C)N[C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000775834928 580402164 /nfs/dbraw/zinc/40/21/64/580402164.db2.gz WBNYEIIKCPZREQ-CVEARBPZSA-N 0 3 332.492 1.956 20 10 EDCDHN CCO[C@@H]1C[C@@H](NCc2ccc(N3CCN(C)CC3)cc2)[C@H]1OC ZINC000775979236 580405685 /nfs/dbraw/zinc/40/56/85/580405685.db2.gz SVBCPWRPCUZSAZ-GUDVDZBRSA-N 0 3 333.476 1.720 20 10 EDCDHN CCOc1ccc([O-])c(C[NH2+][C@H]2CCOC[C@H]2OCCOC)c1 ZINC000776812808 580429447 /nfs/dbraw/zinc/42/94/47/580429447.db2.gz NFJMRHLIWJMOAR-DOTOQJQBSA-N 0 3 325.405 1.701 20 10 EDCDHN COC[C@H](C[NH2+]Cc1cc(Br)cc(OC)c1[O-])OC ZINC000781417302 580548985 /nfs/dbraw/zinc/54/89/85/580548985.db2.gz XVGONVPUHZLLMZ-NSHDSACASA-N 0 3 334.210 1.914 20 10 EDCDHN C[C@@H]([NH2+][C@H]1CCCN(Cc2nccn2C)C1=O)c1ccccc1[O-] ZINC000783535328 580601062 /nfs/dbraw/zinc/60/10/62/580601062.db2.gz LVQURFXMJJBAGF-HIFRSBDPSA-N 0 3 328.416 1.968 20 10 EDCDHN Cc1cc(C)c([C@H](C)[NH2+]CC2(O)CCS(=O)(=O)CC2)c([O-])c1 ZINC000788828638 580730677 /nfs/dbraw/zinc/73/06/77/580730677.db2.gz VIYUVDLHYZRBIF-ZDUSSCGKSA-N 0 3 327.446 1.599 20 10 EDCDHN COc1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)on1 ZINC000891247130 591016271 /nfs/dbraw/zinc/01/62/71/591016271.db2.gz FKNVPDRVJHAXIF-AWEZNQCLSA-N 0 3 332.404 1.782 20 10 EDCDHN COC1(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CCOCC1 ZINC000891247095 591016301 /nfs/dbraw/zinc/01/63/01/591016301.db2.gz HIIFTLSUGPYHKD-KRWDZBQOSA-N 0 3 349.475 1.667 20 10 EDCDHN Cc1c(CC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cnn1C ZINC000891247067 591016596 /nfs/dbraw/zinc/01/65/96/591016596.db2.gz HCBWTEMVGBUPGH-GOSISDBHSA-N 0 3 343.475 1.756 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)C[C@H]2CCCC(=O)N2)N(C)C)cc1 ZINC000891249210 591018538 /nfs/dbraw/zinc/01/85/38/591018538.db2.gz PHMJSQQWKSKHKX-WBVHZDCISA-N 0 3 346.475 1.530 20 10 EDCDHN CC[C@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C(=O)OC ZINC000891250044 591018831 /nfs/dbraw/zinc/01/88/31/591018831.db2.gz YLUSLQNFJPOFPS-CVEARBPZSA-N 0 3 335.448 1.671 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)N[C@H]2CCCOC2)N(C)C)cc1 ZINC000892857200 591205439 /nfs/dbraw/zinc/20/54/39/591205439.db2.gz TXPOLIVJTCIZCH-RDJZCZTQSA-N 0 3 334.464 1.834 20 10 EDCDHN CCN1CC[C@@H]1CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000896457139 591472929 /nfs/dbraw/zinc/47/29/29/591472929.db2.gz ABVOTEDLUIZFNJ-QZTJIDSGSA-N 0 3 347.507 1.749 20 10 EDCDHN CN(C)c1ccc([C@H](CNc2cncc(OCCO)n2)N(C)C)cc1 ZINC000897523205 591523757 /nfs/dbraw/zinc/52/37/57/591523757.db2.gz RNHKPUGPXPJWBQ-INIZCTEOSA-N 0 3 345.447 1.629 20 10 EDCDHN CNC(=O)C[C@@H](C)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000895224134 591664767 /nfs/dbraw/zinc/66/47/67/591664767.db2.gz DIIVDUUETRXUHB-CZUORRHYSA-N 0 3 349.479 1.179 20 10 EDCDHN CC[C@](C)(O)CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899102200 591682453 /nfs/dbraw/zinc/68/24/53/591682453.db2.gz OAUOXBSCGBWANY-AEFFLSMTSA-N 0 3 336.480 1.816 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)NC2(CO)CCC2)N(C)C)cc1 ZINC000899103632 591683477 /nfs/dbraw/zinc/68/34/77/591683477.db2.gz NQVDCYIYTCGHPZ-INIZCTEOSA-N 0 3 334.464 1.570 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2C[C@@H](O)C2(C)C)N(C)C)cc1 ZINC000899104201 591684159 /nfs/dbraw/zinc/68/41/59/591684159.db2.gz QTCVIWBGOOQHSZ-GVDBMIGSSA-N 0 3 348.491 1.814 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)N(C)[C@@H]2CCC[C@H]2O)N(C)C)cc1 ZINC000899098413 591688511 /nfs/dbraw/zinc/68/85/11/591688511.db2.gz NNFAELNLROCAKB-KZNAEPCWSA-N 0 3 348.491 1.910 20 10 EDCDHN COc1cc(Br)cc(CN[C@@]2(C)CCNC2=O)c1O ZINC000897872354 591701712 /nfs/dbraw/zinc/70/17/12/591701712.db2.gz SKBVKFZHNUHGIQ-ZDUSSCGKSA-N 0 3 329.194 1.532 20 10 EDCDHN Cc1cc(Br)cc(CN2C[C@H](O)C[C@]2(C)CO)c1O ZINC000895328933 591715579 /nfs/dbraw/zinc/71/55/79/591715579.db2.gz HVVBBSGIEQTTCE-TZMCWYRMSA-N 0 3 330.222 1.781 20 10 EDCDHN O=C1NCCC2(CC[NH+](Cc3cc4c(cc3[O-])OC[C@@H]4O)CC2)O1 ZINC000902509516 592004340 /nfs/dbraw/zinc/00/43/40/592004340.db2.gz JMORGEJYUOPTSN-AWEZNQCLSA-N 0 3 334.372 1.283 20 10 EDCDHN C[C@@H]([NH2+]C[C@]1(CO)COCCN1C)c1cc2c(cc1[O-])CCCC2 ZINC000903283096 592148434 /nfs/dbraw/zinc/14/84/34/592148434.db2.gz WRBGKWLFINWOPK-KUHUBIRLSA-N 0 3 334.460 1.615 20 10 EDCDHN CC1CCN(c2ccc(CNC[C@H](O)C[C@@]3(O)CCOC3)cc2)CC1 ZINC000905103559 592406649 /nfs/dbraw/zinc/40/66/49/592406649.db2.gz YFBQDTIYJFZDKH-UXHICEINSA-N 0 3 348.487 1.915 20 10 EDCDHN C[C@@]1([C@H]2CCC[N@H+](Cc3cc4c(cc3[O-])OCO4)C2)COC(=O)N1 ZINC000905708038 592617968 /nfs/dbraw/zinc/61/79/68/592617968.db2.gz MPJWLMNYXUDCSE-SJCJKPOMSA-N 0 3 334.372 1.831 20 10 EDCDHN C[C@@]1([C@H]2CCC[N@@H+](Cc3cc4c(cc3[O-])OCO4)C2)COC(=O)N1 ZINC000905708038 592617970 /nfs/dbraw/zinc/61/79/70/592617970.db2.gz MPJWLMNYXUDCSE-SJCJKPOMSA-N 0 3 334.372 1.831 20 10 EDCDHN Cc1cc(Br)cc(C[NH2+]C[C@@H](O)Cn2ccnn2)c1[O-] ZINC000839178644 593271451 /nfs/dbraw/zinc/27/14/51/593271451.db2.gz GPSAOCMELHMFIC-GFCCVEGCSA-N 0 3 341.209 1.205 20 10 EDCDHN CSC[C@H](O)CNCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000818968249 593731196 /nfs/dbraw/zinc/73/11/96/593731196.db2.gz OZOLADUBZNEXNI-GOEBONIOSA-N 0 3 337.489 1.202 20 10 EDCDHN O[C@@H](CNCc1ccc(N2CCOCC2)cc1)c1ccc(F)cn1 ZINC000818972045 593731378 /nfs/dbraw/zinc/73/13/78/593731378.db2.gz CAVMVQBWWYCBBU-SFHVURJKSA-N 0 3 331.391 1.881 20 10 EDCDHN COc1ccc(N2CC[C@@H](CNC(=O)Cc3nc[nH]c3C)C2)cc1 ZINC000819588672 593759948 /nfs/dbraw/zinc/75/99/48/593759948.db2.gz NNULBAQWYXPGGK-AWEZNQCLSA-N 0 3 328.416 1.912 20 10 EDCDHN CCN(C(=O)C(=O)NCc1ccc(N(C)C)cc1)[C@H]1CCN(CC)C1 ZINC000826707418 594561281 /nfs/dbraw/zinc/56/12/81/594561281.db2.gz UFHOPKZMQLSBSV-KRWDZBQOSA-N 0 3 346.475 1.312 20 10 EDCDHN CN1CCN(c2ccc(CN3CC[C@@H](N4CCOC4=O)C3)cc2)CC1 ZINC000826999715 594620341 /nfs/dbraw/zinc/62/03/41/594620341.db2.gz ACTGIOZMUBQNPD-GOSISDBHSA-N 0 3 344.459 1.465 20 10 EDCDHN Cc1cc([O-])c(CN(CC[NH+](C)C)CC(=O)N(C)C)c(Cl)c1 ZINC000827158031 594649050 /nfs/dbraw/zinc/64/90/50/594649050.db2.gz MEEPVUYHGYMOPG-UHFFFAOYSA-N 0 3 327.856 1.806 20 10 EDCDHN COC(=O)[C@@H]1CCCC[C@@H]1NCC(=O)NCc1ccc(N(C)C)cc1 ZINC000831670752 594691448 /nfs/dbraw/zinc/69/14/48/594691448.db2.gz QLESWMRZNMSACS-SJORKVTESA-N 0 3 347.459 1.690 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)[C@H]2CCc3c[nH]nc3C2)cc1 ZINC000832266744 594739033 /nfs/dbraw/zinc/73/90/33/594739033.db2.gz IGGNGPFGGTZTLR-BBRMVZONSA-N 0 3 327.432 1.397 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNC(=O)CCOC2CCOCC2)cc1 ZINC000832267578 594739042 /nfs/dbraw/zinc/73/90/42/594739042.db2.gz WHUBQKGRSLOXIO-QGZVFWFLSA-N 0 3 335.448 1.454 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNC(=O)CCOCC(F)(F)F)cc1 ZINC000832278455 594739810 /nfs/dbraw/zinc/73/98/10/594739810.db2.gz CIPOJXCETDPOLR-CYBMUJFWSA-N 0 3 333.354 1.838 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)c2cc(N(C)C)ccn2)cc1 ZINC000832281658 594740051 /nfs/dbraw/zinc/74/00/51/594740051.db2.gz VJHXXIOTQAFUCO-INIZCTEOSA-N 0 3 327.432 1.643 20 10 EDCDHN COc1ccc(OCC(=O)NC[C@H](N)c2ccc(N(C)C)cc2)cc1 ZINC000832293181 594740820 /nfs/dbraw/zinc/74/08/20/594740820.db2.gz QYOWAKAQRNNVNI-SFHVURJKSA-N 0 3 343.427 1.956 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1 ZINC000832300037 594741115 /nfs/dbraw/zinc/74/11/15/594741115.db2.gz LKXYQURSEGNYDD-GDBMZVCRSA-N 0 3 346.475 1.516 20 10 EDCDHN CCN(CC)c1ccc(CNC(=O)N2CCN(C)C[C@@H]2CN)cc1 ZINC000841718754 594942614 /nfs/dbraw/zinc/94/26/14/594942614.db2.gz AVUWENIZJHMLIY-KRWDZBQOSA-N 0 3 333.480 1.317 20 10 EDCDHN C[C@@H](CNC(=O)C(=O)NCCc1ccc(N)cc1)N1CCC(C)CC1 ZINC000842138694 595022440 /nfs/dbraw/zinc/02/24/40/595022440.db2.gz LYLBKAXEZWCTNW-HNNXBMFYSA-N 0 3 346.475 1.164 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNC(=O)[C@@H]2CCCc3n[nH]cc32)cc1 ZINC000843299532 595066827 /nfs/dbraw/zinc/06/68/27/595066827.db2.gz XJVZYFJGJPVCJZ-GDBMZVCRSA-N 0 3 327.432 1.712 20 10 EDCDHN C[C@@H]1CCCN1S(=O)(=O)NC[C@@H](N)c1ccc(N(C)C)cc1 ZINC000842785667 595198444 /nfs/dbraw/zinc/19/84/44/595198444.db2.gz PJTLKUDJMIHXLA-IUODEOHRSA-N 0 3 326.466 1.071 20 10 EDCDHN COc1ccc(N2CC[C@H](COC(=O)C3CCN(C)C3=O)C2)cc1 ZINC000842876793 595223017 /nfs/dbraw/zinc/22/30/17/595223017.db2.gz XINDQEMXWQWLAU-XJKSGUPXSA-N 0 3 332.400 1.543 20 10 EDCDHN CCN1CCN(CCC(=O)NCc2cc(Cl)ccc2O)CC1 ZINC000846474709 595244885 /nfs/dbraw/zinc/24/48/85/595244885.db2.gz ALZMNCXRFZONSK-UHFFFAOYSA-N 0 3 325.840 1.689 20 10 EDCDHN CC[C@H](CNS(C)(=O)=O)NC/C=C\c1ccc(N(C)C)cc1 ZINC000835053561 595253719 /nfs/dbraw/zinc/25/37/19/595253719.db2.gz DHYSEDGFEGUPRQ-IDTUSYRASA-N 0 3 325.478 1.683 20 10 EDCDHN CCN(CC)c1ccc(CN(C)C(=O)CNC(=O)[C@@H](N)C(C)C)cc1 ZINC000844166567 595288850 /nfs/dbraw/zinc/28/88/50/595288850.db2.gz DWJSJPUWEZNCBE-SFHVURJKSA-N 0 3 348.491 1.591 20 10 EDCDHN C[C@@H]1CCN[C@H](C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C1 ZINC000844173700 595291544 /nfs/dbraw/zinc/29/15/44/595291544.db2.gz RDEYIBUVKGCGEJ-BEFAXECRSA-N 0 3 345.487 1.900 20 10 EDCDHN Cc1cc(N(C)C)ccc1CNC(=O)c1ccn(CCN(C)C)n1 ZINC000847501096 595435673 /nfs/dbraw/zinc/43/56/73/595435673.db2.gz UBLKUJUBUOXSEC-UHFFFAOYSA-N 0 3 329.448 1.749 20 10 EDCDHN CCc1cccc(C[NH2+]C[C@H]2CCCCN2S(C)(=O)=O)c1[O-] ZINC000848910940 595466369 /nfs/dbraw/zinc/46/63/69/595466369.db2.gz OOBMEKPXAOAKJF-OAHLLOKOSA-N 0 3 326.462 1.858 20 10 EDCDHN CC1(C)C(=O)N[C@H]1C1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000848918791 595467590 /nfs/dbraw/zinc/46/75/90/595467590.db2.gz MFAUXJSRZNHQEJ-INIZCTEOSA-N 0 3 332.400 1.858 20 10 EDCDHN CN(C)c1ccc(CN(C)C(=O)CN(C)[C@@H](CN)C(F)(F)F)cc1 ZINC000852762364 595532386 /nfs/dbraw/zinc/53/23/86/595532386.db2.gz KYLMETLGOSQBNH-AWEZNQCLSA-N 0 3 346.397 1.532 20 10 EDCDHN Nc1ccc(CC(=O)NCc2ccc(CN3CC[C@@H](O)C3)cc2)cc1 ZINC000852902561 595606792 /nfs/dbraw/zinc/60/67/92/595606792.db2.gz ICKKIICMNJBYDC-LJQANCHMSA-N 0 3 339.439 1.694 20 10 EDCDHN Cc1cc([O-])c(C[NH2+][C@H]2CCN(c3ccc4nncn4n3)C2)cc1C ZINC000858243894 595741261 /nfs/dbraw/zinc/74/12/61/595741261.db2.gz QBFOZHFROYYFFR-HNNXBMFYSA-N 0 3 338.415 1.815 20 10 EDCDHN CCOc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)c([O-])c1 ZINC000858252989 595743537 /nfs/dbraw/zinc/74/35/37/595743537.db2.gz ZMMWBDRLHPHRBH-HUUCEWRRSA-N 0 3 342.461 1.741 20 10 EDCDHN CC[C@@H](NC1CN(S(=O)(=O)N(C)C)C1)c1ccc(C)cc1O ZINC000858572256 595832457 /nfs/dbraw/zinc/83/24/57/595832457.db2.gz RGBXYQSVCMYZBY-CQSZACIVSA-N 0 3 327.450 1.232 20 10 EDCDHN CN1CCC(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000856211563 595926725 /nfs/dbraw/zinc/92/67/25/595926725.db2.gz UZIZVFYSZJECAT-UHFFFAOYSA-N 0 3 331.460 1.606 20 10 EDCDHN COc1ccc(N2CC[C@H](NC(=O)NC(C)(C)CN(C)C)C2)cc1 ZINC000854296837 596024773 /nfs/dbraw/zinc/02/47/73/596024773.db2.gz HBGDZVFKMZQCFP-AWEZNQCLSA-N 0 3 334.464 1.913 20 10 EDCDHN C[C@@H]1C[C@H]([NH2+]C[C@]23COC(=O)N2CCOC3)c2c1c(F)ccc2[O-] ZINC000866520977 596239678 /nfs/dbraw/zinc/23/96/78/596239678.db2.gz JDZBXRQHAIEYRS-MOCULFSLSA-N 0 3 336.363 1.890 20 10 EDCDHN COc1ccc(CNC[C@H](O)c2cnn(C)c2)cc1Cn1cccn1 ZINC000873061083 597176356 /nfs/dbraw/zinc/17/63/56/597176356.db2.gz PWLYNBZPHFOLDR-KRWDZBQOSA-N 0 3 341.415 1.497 20 10 EDCDHN COc1ccc(CNC[C@@H]2COCCN2C)cc1Cn1cccn1 ZINC000873143371 597210265 /nfs/dbraw/zinc/21/02/65/597210265.db2.gz JSXJNAPFXPIKBF-QGZVFWFLSA-N 0 3 330.432 1.360 20 10 EDCDHN COC[C@]1(C(=O)NCc2ccc3c(c2)CCCN3C)CCCCN1 ZINC000876740435 597315745 /nfs/dbraw/zinc/31/57/45/597315745.db2.gz NEOBCNSPIHEGKQ-IBGZPJMESA-N 0 3 331.460 1.844 20 10 EDCDHN Cc1ccc(C[NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)c([O-])c1 ZINC000876970305 597402148 /nfs/dbraw/zinc/40/21/48/597402148.db2.gz OJDOAOZVVNNSKP-AWEZNQCLSA-N 0 3 331.368 1.959 20 10 EDCDHN CC[C@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)c1ccccc1[O-] ZINC000155194423 697403365 /nfs/dbraw/zinc/40/33/65/697403365.db2.gz KNPXFKKUIUYMBA-INIZCTEOSA-N 0 3 341.411 1.848 20 10 EDCDHN Cc1ccc(O)c(CNCC(=O)NCC(=O)NCc2ccccc2)c1 ZINC000922769191 704320328 /nfs/dbraw/zinc/32/03/28/704320328.db2.gz SHJNKIDWDMJEML-UHFFFAOYSA-N 0 3 341.411 1.223 20 10 EDCDHN CCC[C@](C)(N)C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000272493369 249466219 /nfs/dbraw/zinc/46/62/19/249466219.db2.gz UJAFJXKIXDJMBD-IBGZPJMESA-N 0 3 348.491 1.451 20 10 EDCDHN CCOc1cccc(C[NH2+][C@@H]2CCC(=O)N[C@@H]2[C@@H]2CCCO2)c1[O-] ZINC000377716282 250290411 /nfs/dbraw/zinc/29/04/11/250290411.db2.gz BNUWMOWCTSRYHS-KEYYUXOJSA-N 0 3 334.416 1.707 20 10 EDCDHN Cn1ccnc1[C@H]1OCC[C@@H]1NCc1ccc(N2CCOCC2)cc1 ZINC000328645658 258022277 /nfs/dbraw/zinc/02/22/77/258022277.db2.gz SFWJOVYDELCZJZ-ROUUACIJSA-N 0 3 342.443 1.877 20 10 EDCDHN COc1ccc(N2CCC(N(C)CCNS(C)(=O)=O)CC2)cc1 ZINC000072801294 441260833 /nfs/dbraw/zinc/26/08/33/441260833.db2.gz SLMYLUKZWXOIAK-UHFFFAOYSA-N 0 3 341.477 1.145 20 10 EDCDHN CCOCCNC(=O)CN(C)C1CCN(c2ccc(OC)cc2)CC1 ZINC000084696340 441414071 /nfs/dbraw/zinc/41/40/71/441414071.db2.gz IUHUVQCDLXZKTJ-UHFFFAOYSA-N 0 3 349.475 1.749 20 10 EDCDHN COc1cc(O)c(CN2CCN(CC(C)(C)O)C[C@@H]2C)cc1OC ZINC000188844901 442825910 /nfs/dbraw/zinc/82/59/10/442825910.db2.gz GPGPJNPKLADJJS-ZDUSSCGKSA-N 0 3 338.448 1.686 20 10 EDCDHN CCN1CCN(c2ccc(CN[C@H](C)CC(=O)NC)cc2F)CC1 ZINC000268927261 443149716 /nfs/dbraw/zinc/14/97/16/443149716.db2.gz YLRCUIVYLQKORA-CQSZACIVSA-N 0 3 336.455 1.582 20 10 EDCDHN COc1ccc(N2CCN(CCCNC(=O)C(C)(C)N)CC2)cc1 ZINC000269279607 443263939 /nfs/dbraw/zinc/26/39/39/443263939.db2.gz ZQBHWDNGGFHUBB-UHFFFAOYSA-N 0 3 334.464 1.061 20 10 EDCDHN Cc1cc(C(=O)NCC2(O)CCN(C)CC2)c(C)n1-c1ccccn1 ZINC000267200659 443376301 /nfs/dbraw/zinc/37/63/01/443376301.db2.gz XZAKBMOHUFICCK-UHFFFAOYSA-N 0 3 342.443 1.676 20 10 EDCDHN COCCO[C@H]1C[C@@H](CO)CN(Cc2cc(OC)ccc2O)C1 ZINC000278758168 443427560 /nfs/dbraw/zinc/42/75/60/443427560.db2.gz SWSQRPCJVIBZKU-CJNGLKHVSA-N 0 3 325.405 1.247 20 10 EDCDHN C[C@H](O)C[C@@H]1CCCN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000269786302 443440329 /nfs/dbraw/zinc/44/03/29/443440329.db2.gz HXGBEYLDNIHPSN-YJBOKZPZSA-N 0 3 333.476 1.946 20 10 EDCDHN C[C@@H]1CCC[C@@H](CO)N1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000269935810 443455970 /nfs/dbraw/zinc/45/59/70/443455970.db2.gz YJRDUPSCSVSZMS-QAPCUYQASA-N 0 3 333.476 1.946 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CNC(C)(C)C(C)(C)O)cc2=O ZINC000271618635 443507628 /nfs/dbraw/zinc/50/76/28/443507628.db2.gz LPTIJPVVTUFWJJ-UHFFFAOYSA-N 0 3 336.392 1.251 20 10 EDCDHN Cc1cc(Br)cc(C[N@@H+](C)CC(C)(CO)CO)c1[O-] ZINC000271866354 443516811 /nfs/dbraw/zinc/51/68/11/443516811.db2.gz RHYWQHWYDWGUEA-UHFFFAOYSA-N 0 3 332.238 1.886 20 10 EDCDHN Cc1cc(Br)cc(C[N@H+](C)CC(C)(CO)CO)c1[O-] ZINC000271866354 443516813 /nfs/dbraw/zinc/51/68/13/443516813.db2.gz RHYWQHWYDWGUEA-UHFFFAOYSA-N 0 3 332.238 1.886 20 10 EDCDHN CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1cc3c(cc1[O-])OCO3)CC2 ZINC000271197963 443494826 /nfs/dbraw/zinc/49/48/26/443494826.db2.gz OKRVAYFFPLCTQD-IAGOWNOFSA-N 0 3 335.400 1.873 20 10 EDCDHN CCO[C@@H]1C[C@@H](O)C12CCN(Cc1cc3c(cc1O)OCO3)CC2 ZINC000271197963 443494829 /nfs/dbraw/zinc/49/48/29/443494829.db2.gz OKRVAYFFPLCTQD-IAGOWNOFSA-N 0 3 335.400 1.873 20 10 EDCDHN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C2CCN(CCN(C)C)CC2)c1 ZINC000273428392 443571792 /nfs/dbraw/zinc/57/17/92/443571792.db2.gz UZDIMFUKBYRYNV-CQSZACIVSA-N 0 3 349.475 1.855 20 10 EDCDHN CCCCN(Cc1ccccc1O)C(=O)C(=O)NC1CCN(C)CC1 ZINC000283846207 443740351 /nfs/dbraw/zinc/74/03/51/443740351.db2.gz BJDYLSYFNNXTIF-UHFFFAOYSA-N 0 3 347.459 1.731 20 10 EDCDHN CN(C)[C@@H]1CCN(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000283888051 443756370 /nfs/dbraw/zinc/75/63/70/443756370.db2.gz FTPCMRHXPMIFHX-QGZVFWFLSA-N 0 3 344.459 1.066 20 10 EDCDHN COc1cc(O)c(CN2CC[C@@H](N3CCOCC3)[C@H]2C)cc1OC ZINC000291453343 443759276 /nfs/dbraw/zinc/75/92/76/443759276.db2.gz CRLQGAXLIPWJHJ-UKRRQHHQSA-N 0 3 336.432 1.704 20 10 EDCDHN COc1cc([O-])c(C[N@@H+]2CC[C@@H](N3CCOCC3)[C@H]2C)cc1OC ZINC000291453343 443759279 /nfs/dbraw/zinc/75/92/79/443759279.db2.gz CRLQGAXLIPWJHJ-UKRRQHHQSA-N 0 3 336.432 1.704 20 10 EDCDHN COc1cc([O-])c(C[N@H+]2CC[C@@H](N3CCOCC3)[C@H]2C)cc1OC ZINC000291453343 443759283 /nfs/dbraw/zinc/75/92/83/443759283.db2.gz CRLQGAXLIPWJHJ-UKRRQHHQSA-N 0 3 336.432 1.704 20 10 EDCDHN COc1cc(O)c(CN2C[C@@H](N3CCOCC3)C[C@@H]2C)cc1OC ZINC000285061202 443841159 /nfs/dbraw/zinc/84/11/59/443841159.db2.gz IIYHJRFDOMWOHK-ZFWWWQNUSA-N 0 3 336.432 1.704 20 10 EDCDHN COc1cc([O-])c(C[N@@H+]2C[C@@H](N3CCOCC3)C[C@@H]2C)cc1OC ZINC000285061202 443841163 /nfs/dbraw/zinc/84/11/63/443841163.db2.gz IIYHJRFDOMWOHK-ZFWWWQNUSA-N 0 3 336.432 1.704 20 10 EDCDHN COc1cc([O-])c(C[N@H+]2C[C@@H](N3CCOCC3)C[C@@H]2C)cc1OC ZINC000285061202 443841166 /nfs/dbraw/zinc/84/11/66/443841166.db2.gz IIYHJRFDOMWOHK-ZFWWWQNUSA-N 0 3 336.432 1.704 20 10 EDCDHN CCN(CC)CC(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000299398413 444037602 /nfs/dbraw/zinc/03/76/02/444037602.db2.gz VUVSUJDEUXWZGX-UHFFFAOYSA-N 0 3 348.491 1.275 20 10 EDCDHN CCC[C@]1(NCc2cc(=O)n3ncc(C(=O)OCC)c3[nH]2)CCOC1 ZINC000285540187 444021534 /nfs/dbraw/zinc/02/15/34/444021534.db2.gz LMFLBVAGXXCTAG-KRWDZBQOSA-N 0 3 348.403 1.660 20 10 EDCDHN O=C1COc2cc([N+](=O)[O-])c(N3CC[C@H](N4CCCC4)C3)cc2N1 ZINC000301623503 444182349 /nfs/dbraw/zinc/18/23/49/444182349.db2.gz ORXFBNBTHDXGNM-NSHDSACASA-N 0 3 332.360 1.600 20 10 EDCDHN CCOc1ccc(O)c(CN2CC[C@@]3(C2)NC(=O)N(C(C)C)C3=O)c1 ZINC000362797845 445554540 /nfs/dbraw/zinc/55/45/40/445554540.db2.gz QKSDZQHYTYQTRA-SFHVURJKSA-N 0 3 347.415 1.696 20 10 EDCDHN COc1ccc([O-])c(C[NH2+]C2CCN(c3nccn(C)c3=O)CC2)c1 ZINC000369889213 446165240 /nfs/dbraw/zinc/16/52/40/446165240.db2.gz QUEIWMYEZMPEMG-UHFFFAOYSA-N 0 3 344.415 1.253 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCCC[C@@H](CO)C1)cc2=O ZINC000374053915 446349358 /nfs/dbraw/zinc/34/93/58/446349358.db2.gz ZNQKKCRLZNXSPW-GFCCVEGCSA-N 0 3 348.403 1.206 20 10 EDCDHN Cc1c2ccccc2n(C)c1CNC(=O)N1CCN(C)C[C@@H]1CN ZINC000572136360 448299117 /nfs/dbraw/zinc/29/91/17/448299117.db2.gz UUVPVMVWTYCMBY-AWEZNQCLSA-N 0 3 329.448 1.271 20 10 EDCDHN O=C(NCCc1ccc(O)c(O)c1)Nc1ccc2c(c1)OCCNC2 ZINC000528716687 448642751 /nfs/dbraw/zinc/64/27/51/448642751.db2.gz BZFFCNPCWPBBNM-UHFFFAOYSA-N 0 3 343.383 1.944 20 10 EDCDHN CN(C)C(=O)CCN1CC[NH+](Cc2c([O-])ccc3ccncc32)CC1 ZINC000760415168 580030291 /nfs/dbraw/zinc/03/02/91/580030291.db2.gz RVBYEGQVBSJCFT-UHFFFAOYSA-N 0 3 342.443 1.536 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@@H](CC)[C@@H]1CCCO1)cc2=O ZINC000754515352 579905065 /nfs/dbraw/zinc/90/50/65/579905065.db2.gz MGNTZVLXXXHXIQ-KBPBESRZSA-N 0 3 348.403 1.659 20 10 EDCDHN COc1ccc(N2CCN(C[C@@H](O)CNCc3ccco3)CC2)cc1 ZINC000758178664 579976243 /nfs/dbraw/zinc/97/62/43/579976243.db2.gz NNIHFCLAEQRDTC-KRWDZBQOSA-N 0 3 345.443 1.561 20 10 EDCDHN CN1CCN(c2ccc(CNCC(=O)NCc3ccco3)cc2)CC1 ZINC000771824181 580295745 /nfs/dbraw/zinc/29/57/45/580295745.db2.gz TZZDNQAZZWTDFU-UHFFFAOYSA-N 0 3 342.443 1.437 20 10 EDCDHN COc1ccc(O)c([C@H](C)N[C@@H]2CCN(C3CCOCC3)C2=O)c1 ZINC000775374733 580389552 /nfs/dbraw/zinc/38/95/52/580389552.db2.gz DIJWXMRNAWWZCQ-BLLLJJGKSA-N 0 3 334.416 1.831 20 10 EDCDHN C[C@@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2)C[C@]2(CCOC2)O1 ZINC000793361280 580842847 /nfs/dbraw/zinc/84/28/47/580842847.db2.gz GNYKGFRFBQQTSE-XLIONFOSSA-N 0 3 345.487 1.818 20 10 EDCDHN COC(=O)[C@]12C[N@H+](Cc3cc4c(cc3[O-])CCC4)C[C@H]1COCC2 ZINC000794681554 580902706 /nfs/dbraw/zinc/90/27/06/580902706.db2.gz ADWGDYAJMCYYKI-QFBILLFUSA-N 0 3 331.412 1.892 20 10 EDCDHN COC(=O)[C@]12C[N@@H+](Cc3cc4c(cc3[O-])CCC4)C[C@H]1COCC2 ZINC000794681554 580902707 /nfs/dbraw/zinc/90/27/07/580902707.db2.gz ADWGDYAJMCYYKI-QFBILLFUSA-N 0 3 331.412 1.892 20 10 EDCDHN COc1cc(CN2CCC(CNS(C)(=O)=O)CC2)c(O)cc1C ZINC000795670369 580933504 /nfs/dbraw/zinc/93/35/04/580933504.db2.gz ITEBKIKZPQSHDY-UHFFFAOYSA-N 0 3 342.461 1.470 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)CCCn2cncn2)N(C)C)cc1 ZINC000891245793 591015272 /nfs/dbraw/zinc/01/52/72/591015272.db2.gz JIYNQKPVUOFLNK-KRWDZBQOSA-N 0 3 344.463 1.543 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)CCc2cnn(C)c2)N(C)C)cc1 ZINC000891251169 591019260 /nfs/dbraw/zinc/01/92/60/591019260.db2.gz AHSABDXCDPGNSE-GOSISDBHSA-N 0 3 343.475 1.838 20 10 EDCDHN CCN(C)C(=O)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000894290884 591267933 /nfs/dbraw/zinc/26/79/33/591267933.db2.gz WHWJYVUUJXQYCC-INIZCTEOSA-N 0 3 349.479 1.133 20 10 EDCDHN COC[C@@H]([NH2+]Cc1cc(OC)c(OC)cc1[O-])[C@H]1CCCOC1 ZINC000895854950 591288187 /nfs/dbraw/zinc/28/81/87/591288187.db2.gz OGIWWSYJWKDWIY-GXTWGEPZSA-N 0 3 325.405 1.941 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)N[C@@H](CCO)C2CC2)N(C)C)cc1 ZINC000899103328 591683379 /nfs/dbraw/zinc/68/33/79/591683379.db2.gz ZDIUXIMSALLKMK-ZWKOTPCHSA-N 0 3 348.491 1.816 20 10 EDCDHN C[C@@H](O)CCN(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899103865 591683384 /nfs/dbraw/zinc/68/33/84/591683384.db2.gz OHUAVHDWACFRDL-PBHICJAKSA-N 0 3 336.480 1.768 20 10 EDCDHN C[C@H](O)CCCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899104621 591684407 /nfs/dbraw/zinc/68/44/07/591684407.db2.gz RQJKWHWKRAUEKB-WMLDXEAASA-N 0 3 336.480 1.816 20 10 EDCDHN CCOc1cccc(C[NH+]2CCC3(CC2)C[C@H](O)CNC3=O)c1[O-] ZINC000897039666 591718390 /nfs/dbraw/zinc/71/83/90/591718390.db2.gz BJYJPYAUWPMBBP-AWEZNQCLSA-N 0 3 334.416 1.254 20 10 EDCDHN O=c1cc(N2CC[C@H]([NH2+]Cc3ccc4c(c3)CCCO4)C2)nc[n-]1 ZINC000898150437 591803777 /nfs/dbraw/zinc/80/37/77/591803777.db2.gz WXTBRVIAVUAMIR-HNNXBMFYSA-N 0 3 326.400 1.876 20 10 EDCDHN COc1cc(Cl)cc(C[NH2+]CCCn2ccc(=O)[nH]c2=O)c1[O-] ZINC000898329059 591855506 /nfs/dbraw/zinc/85/55/06/591855506.db2.gz PMFKQTOFNREKFZ-UHFFFAOYSA-N 0 3 339.779 1.496 20 10 EDCDHN CN(C)c1ccc([C@@H](CN2C(=O)N3CC4CC3(C4)C2=O)N(C)C)cc1 ZINC000900185400 591932414 /nfs/dbraw/zinc/93/24/14/591932414.db2.gz MKGGNIHACACFHG-ZHTDJMBKSA-N 0 3 342.443 1.782 20 10 EDCDHN NC(=O)C1CCN(c2ccc(CNC[C@@H](O)C(F)(F)F)cc2)CC1 ZINC000905481571 592538304 /nfs/dbraw/zinc/53/83/04/592538304.db2.gz OFDOMKTZXDFNRK-CQSZACIVSA-N 0 3 345.365 1.401 20 10 EDCDHN Cc1nc2n(n1)C[C@@H](C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1)CC2 ZINC000911667391 592974123 /nfs/dbraw/zinc/97/41/23/592974123.db2.gz QKDGJLMWXJBXFQ-GOEBONIOSA-N 0 3 342.447 1.031 20 10 EDCDHN C[C@@H](NC(=O)C(=O)N(C)CCN1CCCC1)c1ccc(N(C)C)cc1 ZINC000807675531 593189938 /nfs/dbraw/zinc/18/99/38/593189938.db2.gz AVJCRXOXVAOYOV-OAHLLOKOSA-N 0 3 346.475 1.484 20 10 EDCDHN CN(C)CCN(CCN(C)C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000103174081 593208621 /nfs/dbraw/zinc/20/86/21/593208621.db2.gz OVBNLGKLQRCFFH-UHFFFAOYSA-N 0 3 335.496 1.387 20 10 EDCDHN CCOC(=O)[C@@H](F)C1CN(Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000816635183 593536470 /nfs/dbraw/zinc/53/64/70/593536470.db2.gz GGIINWFBRBXKLP-SFHVURJKSA-N 0 3 349.450 1.771 20 10 EDCDHN O=C1CN(Cc2ccccc2O)C(=O)N1C[C@@H]1CCN(C2CC2)C1 ZINC000819165520 593742196 /nfs/dbraw/zinc/74/21/96/593742196.db2.gz WOOFOWWCXXECBX-CYBMUJFWSA-N 0 3 329.400 1.641 20 10 EDCDHN C[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)C[C@H](C)N1CCO ZINC000824925959 594098356 /nfs/dbraw/zinc/09/83/56/594098356.db2.gz JAYVKHWKJNNUFE-CALCHBBNSA-N 0 3 333.476 1.410 20 10 EDCDHN CC[C@H](O)CC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 ZINC000828259749 594376691 /nfs/dbraw/zinc/37/66/91/594376691.db2.gz SLKAHHSQASCMLV-IBGZPJMESA-N 0 3 345.487 1.996 20 10 EDCDHN O=C(CCOC1CNC1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000829003503 594546787 /nfs/dbraw/zinc/54/67/87/594546787.db2.gz OSXLQZOLFYIJTL-OAHLLOKOSA-N 0 3 334.416 1.278 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@@H]1COCC1(C)C)cc2=O ZINC000832170803 594732042 /nfs/dbraw/zinc/73/20/42/594732042.db2.gz VGASBZNZGYTDEM-GFCCVEGCSA-N 0 3 334.376 1.126 20 10 EDCDHN COc1ccc(CC(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)nc1 ZINC000832284820 594740410 /nfs/dbraw/zinc/74/04/10/594740410.db2.gz MUTQACCEYZDLOI-QGZVFWFLSA-N 0 3 328.416 1.515 20 10 EDCDHN COC(=O)[C@@H]1CN(C)CCN(C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000840958655 594832931 /nfs/dbraw/zinc/83/29/31/594832931.db2.gz QZJQBFMDZDLWGJ-KEGWNNHHSA-N 0 3 331.460 1.802 20 10 EDCDHN CCN(Cc1cc(Br)ccc1[O-])C(=O)NCC1C[NH2+]C1 ZINC000841964409 594990910 /nfs/dbraw/zinc/99/09/10/594990910.db2.gz FUVDQMYWYDDWMW-UHFFFAOYSA-N 0 3 342.237 1.906 20 10 EDCDHN COc1ccc(O)c([C@@H](C)NC(=O)N[C@H]2CNCCC2(F)F)c1 ZINC000842003657 594999833 /nfs/dbraw/zinc/99/98/33/594999833.db2.gz ODLLYNHBTWCSGO-RNCFNFMXSA-N 0 3 329.347 1.758 20 10 EDCDHN Cc1nccc(CCC(=O)NC[C@H](N)c2ccc(N(C)C)cc2)n1 ZINC000843298944 595066623 /nfs/dbraw/zinc/06/66/23/595066623.db2.gz RNUZIKGBFMVCRK-KRWDZBQOSA-N 0 3 327.432 1.600 20 10 EDCDHN COc1cccc([C@@H](C)[NH2+]C2CCN(CC(=O)N(C)C)CC2)c1[O-] ZINC000846147131 595157154 /nfs/dbraw/zinc/15/71/54/595157154.db2.gz TYPYPMUQHYSXBA-CYBMUJFWSA-N 0 3 335.448 1.604 20 10 EDCDHN C[C@H]([NH2+][C@H]1CCN(S(C)(=O)=O)C1)c1cc2c(cc1[O-])CCCC2 ZINC000846186917 595167933 /nfs/dbraw/zinc/16/79/33/595167933.db2.gz HLTMVPVBQKAKEE-WFASDCNBSA-N 0 3 338.473 1.956 20 10 EDCDHN NC1(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)CCCC1 ZINC000844173786 595291954 /nfs/dbraw/zinc/29/19/54/595291954.db2.gz XRJDQWWJJPXKDF-UHFFFAOYSA-N 0 3 331.460 1.783 20 10 EDCDHN COc1ccc(N(C)CCN(C)CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000844400664 595337298 /nfs/dbraw/zinc/33/72/98/595337298.db2.gz FVLFMFFYAYVODO-UHFFFAOYSA-N 0 3 333.392 1.868 20 10 EDCDHN CN(C)CCn1ccc(C(=O)NCc2ccc(N(C)C)c(F)c2)n1 ZINC000847405186 595411937 /nfs/dbraw/zinc/41/19/37/595411937.db2.gz AVNBRTZRHCJWJC-UHFFFAOYSA-N 0 3 333.411 1.580 20 10 EDCDHN CCc1cccc(C[NH2+][C@@H]2CCCN(Cc3nccn3C)C2=O)c1[O-] ZINC000848902128 595465142 /nfs/dbraw/zinc/46/51/42/595465142.db2.gz LCFWRGIJUOIGRR-MRXNPFEDSA-N 0 3 342.443 1.969 20 10 EDCDHN CCc1cccc(CN[C@@H]2CCCN(Cc3nccn3C)C2=O)c1O ZINC000848902128 595465143 /nfs/dbraw/zinc/46/51/43/595465143.db2.gz LCFWRGIJUOIGRR-MRXNPFEDSA-N 0 3 342.443 1.969 20 10 EDCDHN CSCC[C@H](N)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000852868441 595588727 /nfs/dbraw/zinc/58/87/27/595588727.db2.gz FLBLDYXXQMJYBZ-INIZCTEOSA-N 0 3 337.489 1.344 20 10 EDCDHN COc1ccc(N2CCN(CCNCc3cnc(C)n3C)CC2)cc1 ZINC000850089943 595735898 /nfs/dbraw/zinc/73/58/98/595735898.db2.gz JEDQLBBCUYXRDB-UHFFFAOYSA-N 0 3 343.475 1.649 20 10 EDCDHN COc1cccc(CNCC(=O)Nc2ccc3c(c2)OCCO3)c1O ZINC000858305265 595759113 /nfs/dbraw/zinc/75/91/13/595759113.db2.gz UTTLWYCDTLSABU-UHFFFAOYSA-N 0 3 344.367 1.900 20 10 EDCDHN COC(=O)CCNC(=O)CC[NH2+][C@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000858541579 595822723 /nfs/dbraw/zinc/82/27/23/595822723.db2.gz LYLXPLFOZBAGBN-CYBMUJFWSA-N 0 3 348.443 1.991 20 10 EDCDHN C[C@@H]1CN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)[C@H](C)CN1 ZINC000851682458 595882841 /nfs/dbraw/zinc/88/28/41/595882841.db2.gz WPOQBAPCWBHFDT-HUUCEWRRSA-N 0 3 346.475 1.540 20 10 EDCDHN CCOC(=O)[C@@H]1NCC[C@@H]1N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854218607 596005621 /nfs/dbraw/zinc/00/56/21/596005621.db2.gz ZEAKAFWWNUFQNP-XOKHGSTOSA-N 0 3 333.432 1.157 20 10 EDCDHN COc1ccc(N2CCN(C(=O)CN3CCC[C@@H]3[C@@H](C)O)CC2)cc1 ZINC000852560857 596198178 /nfs/dbraw/zinc/19/81/78/596198178.db2.gz FLXSFEPGPBCMNO-CRAIPNDOSA-N 0 3 347.459 1.189 20 10 EDCDHN COC[C@@]1(C)CN(Cc2ccc(N3CCN(C)CC3)cc2)CCO1 ZINC000862550555 596344636 /nfs/dbraw/zinc/34/46/36/596344636.db2.gz FKQHRAIPJDUGAO-LJQANCHMSA-N 0 3 333.476 1.676 20 10 EDCDHN O=[N+]([O-])c1cc(CN[C@@H]2COCC[C@H]2O)ccc1N1CCCCC1 ZINC000865750251 596670537 /nfs/dbraw/zinc/67/05/37/596670537.db2.gz OUZVXRSIRJRVHF-RHSMWYFYSA-N 0 3 335.404 1.825 20 10 EDCDHN CC(C(=O)N(Cc1ccco1)Cc1ccccc1O)S(C)(=O)=O ZINC000125345003 597353267 /nfs/dbraw/zinc/35/32/67/597353267.db2.gz VBXLKFKPZUKFEN-GFCCVEGCSA-N 0 3 337.397 1.947 20 10 EDCDHN COC(=O)C1=NO[C@@]2(CCN(Cc3ccc(N(C)C)cc3C)C2)C1 ZINC000877711941 597549428 /nfs/dbraw/zinc/54/94/28/597549428.db2.gz CTUCNIZXUAAZTN-SFHVURJKSA-N 0 3 331.416 1.955 20 10 EDCDHN C[C@H]([NH2+]C1CCN(CCN2CCOCC2)CC1)c1ccccc1[O-] ZINC000877757398 597553395 /nfs/dbraw/zinc/55/33/95/597553395.db2.gz XMIKAVKWPRTZCG-INIZCTEOSA-N 0 3 333.476 1.839 20 10 EDCDHN COc1cc(C(=O)N[C@H]2CCCCN(C[C@H](C)O)C2)cc(OC)n1 ZINC001034289550 709713004 /nfs/dbraw/zinc/71/30/04/709713004.db2.gz YUJOOYCPTYNLRQ-JSGCOSHPSA-N 0 3 337.420 1.064 20 10 EDCDHN C[C@H]1CN(C[C@@H]2CN(C)CCO2)CCN1Cc1ccc(N(C)C)cc1 ZINC000372416650 250218681 /nfs/dbraw/zinc/21/86/81/250218681.db2.gz PXPBUXQKAFITBB-PXNSSMCTSA-N 0 3 346.519 1.589 20 10 EDCDHN CN(C)c1ccc(CN(C)C(=O)CN2CCCC[C@@H]2C(=N)NO)cc1 ZINC000374171898 250255779 /nfs/dbraw/zinc/25/57/79/250255779.db2.gz GRKBAYZXEGIVRE-MRXNPFEDSA-N 0 3 347.463 1.522 20 10 EDCDHN COCCCN(C)CCNC(=O)NCc1ccc2c(c1)CCN2C ZINC000373613581 292336754 /nfs/dbraw/zinc/33/67/54/292336754.db2.gz VYWJJUYIAOEHOF-UHFFFAOYSA-N 0 3 334.464 1.446 20 10 EDCDHN CC(C)[N@H+](C)CCCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000147463010 441908344 /nfs/dbraw/zinc/90/83/44/441908344.db2.gz MYTXTBDAYABURM-UHFFFAOYSA-N 0 3 343.449 1.224 20 10 EDCDHN CC(C)[N@@H+](C)CCCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000147463010 441908349 /nfs/dbraw/zinc/90/83/49/441908349.db2.gz MYTXTBDAYABURM-UHFFFAOYSA-N 0 3 343.449 1.224 20 10 EDCDHN CCN1CCN(C[C@@H](C)CNC(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000180777252 442658351 /nfs/dbraw/zinc/65/83/51/442658351.db2.gz ZRURTJJFADRZPY-ZKKXHLJNSA-N 0 3 347.459 1.501 20 10 EDCDHN CNS(=O)(=O)CCN[C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000187187870 442659004 /nfs/dbraw/zinc/65/90/04/442659004.db2.gz PJZADPCMKOZZJG-AWEZNQCLSA-N 0 3 325.478 1.877 20 10 EDCDHN COc1cc(N2CCN(CCC(C)(C)O)CC2)cc(OC)c1OC ZINC000273545339 443578921 /nfs/dbraw/zinc/57/89/21/443578921.db2.gz BEXMYPKDFOJASV-UHFFFAOYSA-N 0 3 338.448 1.995 20 10 EDCDHN C[C@@H]([NH2+]CCCN1CCCN(C)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273608552 443583467 /nfs/dbraw/zinc/58/34/67/443583467.db2.gz UYWTUTHJCFHTPG-CQSZACIVSA-N 0 3 336.436 1.979 20 10 EDCDHN CNC(=O)c1ccn([C@@H]2CCCN(Cc3cc(OC)ccc3O)C2)n1 ZINC000275671957 443636176 /nfs/dbraw/zinc/63/61/76/443636176.db2.gz VPFHQTGVMOIIFF-CQSZACIVSA-N 0 3 344.415 1.794 20 10 EDCDHN COc1cccc(CN2CC[C@H](N(C)Cc3nccc(N)n3)C2)c1O ZINC000275822508 443644350 /nfs/dbraw/zinc/64/43/50/443644350.db2.gz UUTWFSHRPLAXNK-AWEZNQCLSA-N 0 3 343.431 1.479 20 10 EDCDHN Cc1ccc([C@H](C)[NH2+]C[C@]2(CO)COCC3(CCC3)N2C)c([O-])c1 ZINC000527956552 320530365 /nfs/dbraw/zinc/53/03/65/320530365.db2.gz PYNDAXCJJSGAOS-KXBFYZLASA-N 0 3 334.460 1.967 20 10 EDCDHN CCN(CC)c1ccc(CNC(=O)C(=O)NCCN(C)C2CC2)cc1 ZINC000284018138 443760984 /nfs/dbraw/zinc/76/09/84/443760984.db2.gz KPHTUSMVQXVCMC-UHFFFAOYSA-N 0 3 346.475 1.359 20 10 EDCDHN Cn1nccc1[C@H]1[C@H](NCc2ccc3c(c2)CCO3)CC(=O)N1C ZINC000284490362 443777295 /nfs/dbraw/zinc/77/72/95/443777295.db2.gz JQBMFRNBWLYDIY-RDTXWAMCSA-N 0 3 326.400 1.417 20 10 EDCDHN COc1cccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2c2ccnn2C)c1[O-] ZINC000284523359 443777820 /nfs/dbraw/zinc/77/78/20/443777820.db2.gz LWZUSAQXDNZUOO-MLGOLLRUSA-N 0 3 330.388 1.244 20 10 EDCDHN Cc1cc(CN2CCC[C@H](CS(N)(=O)=O)C2)ccc1N(C)C ZINC000292884337 443868990 /nfs/dbraw/zinc/86/89/90/443868990.db2.gz UMWXUNSFKYUUJZ-HNNXBMFYSA-N 0 3 325.478 1.562 20 10 EDCDHN Cc1nc(CN2CCC[C@@H]([NH2+]Cc3cc4c(cc3[O-])OCO4)C2)no1 ZINC000377558167 447203467 /nfs/dbraw/zinc/20/34/67/447203467.db2.gz FXFWVMDIVDNTFC-CYBMUJFWSA-N 0 3 346.387 1.567 20 10 EDCDHN C[C@H]([NH2+]C[C@]1(CO)COCC2(CCC2)N1C)c1cc(F)ccc1[O-] ZINC000527954923 448396571 /nfs/dbraw/zinc/39/65/71/448396571.db2.gz NABOOSJHOHGGOK-UGSOOPFHSA-N 0 3 338.423 1.798 20 10 EDCDHN CCOc1ccc(O)c(CN[C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)c1 ZINC000742393533 579450759 /nfs/dbraw/zinc/45/07/59/579450759.db2.gz YIULWFJFABYVQA-BLLLJJGKSA-N 0 3 344.415 1.808 20 10 EDCDHN COC(=O)CNC(=O)CC[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000732205076 578697417 /nfs/dbraw/zinc/69/74/17/578697417.db2.gz ZXSHUTVEQOPJEM-UHFFFAOYSA-N 0 3 334.416 1.816 20 10 EDCDHN COC(=O)CNC(=O)CC[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000732205076 578697418 /nfs/dbraw/zinc/69/74/18/578697418.db2.gz ZXSHUTVEQOPJEM-UHFFFAOYSA-N 0 3 334.416 1.816 20 10 EDCDHN C[C@@H]([NH2+]C[C@]1(O)CCN(C)C1)c1cc(Br)ccc1[O-] ZINC000762786606 580083140 /nfs/dbraw/zinc/08/31/40/580083140.db2.gz JWVKZIYZGRYIQB-QMTHXVAHSA-N 0 3 329.238 1.872 20 10 EDCDHN O=C([C@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1)N1CCCC1 ZINC000768447383 580213283 /nfs/dbraw/zinc/21/32/83/580213283.db2.gz OQUFLGWLKKJRHV-SUMWQHHRSA-N 0 3 346.427 1.652 20 10 EDCDHN O=C([C@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1)N1CCCC1 ZINC000768447383 580213284 /nfs/dbraw/zinc/21/32/84/580213284.db2.gz OQUFLGWLKKJRHV-SUMWQHHRSA-N 0 3 346.427 1.652 20 10 EDCDHN CCCNC(=O)CN(C)C(=O)CN[C@@H](C)c1cc(OC)ccc1O ZINC000775369100 580389404 /nfs/dbraw/zinc/38/94/04/580389404.db2.gz JEJNFJOXTCXOEO-LBPRGKRZSA-N 0 3 337.420 1.036 20 10 EDCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H](O)COC[C@@H]2CCCO2)c1 ZINC000775373516 580389500 /nfs/dbraw/zinc/38/95/00/580389500.db2.gz SXJMDCIFYZVYMP-GUTXKFCHSA-N 0 3 325.405 1.608 20 10 EDCDHN CC[C@H](CO)N1CCN(Cc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC000775723544 580398520 /nfs/dbraw/zinc/39/85/20/580398520.db2.gz BFYCNLRTDNPPBN-LJQANCHMSA-N 0 3 346.519 1.327 20 10 EDCDHN CN(C)c1ccc(CNC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)cc1 ZINC000785428800 580643875 /nfs/dbraw/zinc/64/38/75/580643875.db2.gz RYNRWADVGAMDGM-KRWDZBQOSA-N 0 3 344.459 1.066 20 10 EDCDHN O=C(NCCF)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 ZINC000798098983 580987277 /nfs/dbraw/zinc/98/72/77/580987277.db2.gz HGKBYPFXYMLRIR-UHFFFAOYSA-N 0 3 334.439 1.987 20 10 EDCDHN CCN(CC)c1ccc(CNC2CC(NS(C)(=O)=O)C2)cc1F ZINC000800890480 581060971 /nfs/dbraw/zinc/06/09/71/581060971.db2.gz JMPCIJXHASQKQI-UHFFFAOYSA-N 0 3 343.468 1.842 20 10 EDCDHN CN1C[C@H]2CCN(C(=O)NCc3ccc(N4CC=CC4)cc3)[C@@H]2C1 ZINC000893135976 590675942 /nfs/dbraw/zinc/67/59/42/590675942.db2.gz RIXRXPREJFJNOA-SJLPKXTDSA-N 0 3 326.444 1.908 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)N(C)C)cc1 ZINC000891245773 591015006 /nfs/dbraw/zinc/01/50/06/591015006.db2.gz IZLOWUIFWKEIKN-JFIYKMOQSA-N 0 3 341.459 1.998 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)N(C)C)cc1 ZINC000891245773 591015010 /nfs/dbraw/zinc/01/50/10/591015010.db2.gz IZLOWUIFWKEIKN-JFIYKMOQSA-N 0 3 341.459 1.998 20 10 EDCDHN Cc1c(CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cnn1C ZINC000891247069 591016552 /nfs/dbraw/zinc/01/65/52/591016552.db2.gz HCBWTEMVGBUPGH-SFHVURJKSA-N 0 3 343.475 1.756 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cnn(CCF)c2)N(C)C)cc1 ZINC000891248844 591018912 /nfs/dbraw/zinc/01/89/12/591018912.db2.gz NOMQOPVGTDFTMJ-QGZVFWFLSA-N 0 3 347.438 1.951 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCCN2C=O)N(C)C)cc1 ZINC000891250255 591019829 /nfs/dbraw/zinc/01/98/29/591019829.db2.gz VVGZJQQUUYRZKK-IAGOWNOFSA-N 0 3 332.448 1.092 20 10 EDCDHN COc1cc(C)cc(CN2CCN(C(=O)[C@H]3CCCN3C)CC2)c1O ZINC000894084995 591184130 /nfs/dbraw/zinc/18/41/30/591184130.db2.gz RWISTGURSHOJEN-MRXNPFEDSA-N 0 3 347.459 1.448 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)NCc2cn(C)cn2)N(C)C)cc1 ZINC000898612158 591439118 /nfs/dbraw/zinc/43/91/18/591439118.db2.gz GXHWZXNPOXBMIC-KRWDZBQOSA-N 0 3 344.463 1.588 20 10 EDCDHN COC[C@@H]1CCN1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899101270 591681951 /nfs/dbraw/zinc/68/19/51/591681951.db2.gz GWXHADNELFYLLE-IRXDYDNUSA-N 0 3 334.464 1.786 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)NC[C@@](C)(O)C2CC2)N(C)C)cc1 ZINC000899101638 591682570 /nfs/dbraw/zinc/68/25/70/591682570.db2.gz KEMRPNZAGAMHED-PKOBYXMFSA-N 0 3 348.491 1.816 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)NC2(CO)CCCC2)N(C)C)cc1 ZINC000899103241 591683237 /nfs/dbraw/zinc/68/32/37/591683237.db2.gz YAUALEBSHCTGIH-QGZVFWFLSA-N 0 3 348.491 1.960 20 10 EDCDHN C[C@@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C1(CO)CC1 ZINC000899098447 591688461 /nfs/dbraw/zinc/68/84/61/591688461.db2.gz OMXVXJWVNQSANX-RHSMWYFYSA-N 0 3 348.491 1.816 20 10 EDCDHN CC(C)[C@H](O)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899100594 591690117 /nfs/dbraw/zinc/69/01/17/591690117.db2.gz AWXSDMJTNLYHLE-DLBZAZTESA-N 0 3 336.480 1.671 20 10 EDCDHN Cc1cc(Br)cc(CN2C[C@H](O)C[C@@]2(C)CO)c1O ZINC000895328932 591715687 /nfs/dbraw/zinc/71/56/87/591715687.db2.gz HVVBBSGIEQTTCE-OCCSQVGLSA-N 0 3 330.222 1.781 20 10 EDCDHN COC(=O)c1c(CNC[C@@H]2COCCN2C)c2cc(F)ccc2n1C ZINC000895401898 591743803 /nfs/dbraw/zinc/74/38/03/591743803.db2.gz DHKCXWWSCYBLEY-CYBMUJFWSA-N 0 3 349.406 1.524 20 10 EDCDHN Cc1noc(C[C@@H]2CCC[N@H+](Cc3cc4c(cc3[O-])OC[C@@H]4O)C2)n1 ZINC000902583353 592019509 /nfs/dbraw/zinc/01/95/09/592019509.db2.gz CEPJPNJYOIIXES-LRDDRELGSA-N 0 3 345.399 1.964 20 10 EDCDHN Cc1noc(C[C@@H]2CCC[N@@H+](Cc3cc4c(cc3[O-])OC[C@@H]4O)C2)n1 ZINC000902583353 592019512 /nfs/dbraw/zinc/01/95/12/592019512.db2.gz CEPJPNJYOIIXES-LRDDRELGSA-N 0 3 345.399 1.964 20 10 EDCDHN CCN(CC)c1ccc(CNCC[C@@H]2CNCCS2(=O)=O)cc1 ZINC000903968787 592402962 /nfs/dbraw/zinc/40/29/62/592402962.db2.gz ODHIIVIHXPKJHC-QGZVFWFLSA-N 0 3 339.505 1.399 20 10 EDCDHN COc1ncc(/C=C/C(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)cn1 ZINC000911665226 592973545 /nfs/dbraw/zinc/97/35/45/592973545.db2.gz BIDFGUNNZSOTBT-VCIFKONDSA-N 0 3 341.415 1.381 20 10 EDCDHN CN1CC[C@@H]2CN(C(=O)NCc3ccc4c(c3)CCCN4C)C[C@@H]21 ZINC000838031475 593079240 /nfs/dbraw/zinc/07/92/40/593079240.db2.gz IURJMPXQVGGSQP-AEFFLSMTSA-N 0 3 328.460 1.915 20 10 EDCDHN C[C@@H](NC(=O)N[C@H]1CCCN(CCCO)C1)c1ccc(N(C)C)cc1 ZINC000838559710 593187513 /nfs/dbraw/zinc/18/75/13/593187513.db2.gz OXDQYXHBEGDXBX-WBVHZDCISA-N 0 3 348.491 1.960 20 10 EDCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCNS(=O)(=O)NC(C)C)c1[O-] ZINC000808716522 593282567 /nfs/dbraw/zinc/28/25/67/593282567.db2.gz PEVXAHRNEPHFOT-LLVKDONJSA-N 0 3 349.884 1.837 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1C[C@H](CO)C[C@H](C)C1)cc2=O ZINC000817278166 593587810 /nfs/dbraw/zinc/58/78/10/593587810.db2.gz TYNMZTFEAPQJGH-NWDGAFQWSA-N 0 3 348.403 1.062 20 10 EDCDHN CCn1nc(C)c(CNCc2ccc(N3CCN(C)CC3)cc2)n1 ZINC000818220948 593684915 /nfs/dbraw/zinc/68/49/15/593684915.db2.gz LARBPCBPKLGEAQ-UHFFFAOYSA-N 0 3 328.464 1.648 20 10 EDCDHN COc1ccc(N2CC[C@@H](CNC(=O)C[C@H]3CSCCN3)C2)cc1 ZINC000818613009 593708004 /nfs/dbraw/zinc/70/80/04/593708004.db2.gz BAKGKRVLTDCYGH-GJZGRUSLSA-N 0 3 349.500 1.733 20 10 EDCDHN COc1ccc(N2CC[C@H](CNC(=O)N3CCN[C@@H](C)[C@@H]3C)C2)cc1 ZINC000818655457 593710569 /nfs/dbraw/zinc/71/05/69/593710569.db2.gz LXYQPCSAMBRALJ-HRCADAONSA-N 0 3 346.475 1.913 20 10 EDCDHN CC(C)OC[C@H](O)CNCc1ccc(N2CCOCC2)c(F)c1 ZINC000818967615 593730861 /nfs/dbraw/zinc/73/08/61/593730861.db2.gz XBXKRCZSQIEOJT-OAHLLOKOSA-N 0 3 326.412 1.538 20 10 EDCDHN CC[C@H](C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1)N1CCCC1=O ZINC000832274512 594739640 /nfs/dbraw/zinc/73/96/40/594739640.db2.gz UPXZBMSGUJKDPB-HZPDHXFCSA-N 0 3 332.448 1.270 20 10 EDCDHN CNc1snc(C)c1C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1 ZINC000832278874 594739745 /nfs/dbraw/zinc/73/97/45/594739745.db2.gz FLEPFRBIHQDXMG-CYBMUJFWSA-N 0 3 333.461 1.989 20 10 EDCDHN Cc1csc(=O)n1CCC(=O)NC[C@@H](N)c1ccc(N(C)C)cc1 ZINC000832292948 594740701 /nfs/dbraw/zinc/74/07/01/594740701.db2.gz NWDCGXRWGWNOLF-OAHLLOKOSA-N 0 3 348.472 1.491 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@@H]1CCC[C@H]1OCC)cc2=O ZINC000832573883 594760550 /nfs/dbraw/zinc/76/05/50/594760550.db2.gz AQEFMKOLHODRJP-ZIAGYGMSSA-N 0 3 348.403 1.659 20 10 EDCDHN C[C@@H]1C[C@@H]([NH2+]CCCCn2cc(C(N)=O)nn2)c2c1c(F)ccc2[O-] ZINC000840896455 594824512 /nfs/dbraw/zinc/82/45/12/594824512.db2.gz JFJSODLLAYSVHP-ZYHUDNBSSA-N 0 3 347.394 1.840 20 10 EDCDHN CNCc1cccc(NC(=O)C(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000841003653 594837788 /nfs/dbraw/zinc/83/77/88/594837788.db2.gz YYLJWFHQDBCFMH-UHFFFAOYSA-N 0 3 340.427 1.727 20 10 EDCDHN COc1cc(Cl)cc(CN2C[C@@H](C)N(CCO)C[C@H]2C)c1O ZINC000841890406 594974955 /nfs/dbraw/zinc/97/49/55/594974955.db2.gz AKRKGSLDPDPDPE-VXGBXAGGSA-N 0 3 328.840 1.941 20 10 EDCDHN C[C@H]1CCn2ncc(C(=O)NC[C@H](N)c3ccc(N(C)C)cc3)c2C1 ZINC000843296576 595065485 /nfs/dbraw/zinc/06/54/85/595065485.db2.gz BEXHVAQWCUOOJM-GUYCJALGSA-N 0 3 341.459 1.961 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNC(=O)CCCn2ccccc2=O)cc1 ZINC000843298412 595066065 /nfs/dbraw/zinc/06/60/65/595066065.db2.gz OEJKZKFQMGPGQP-QGZVFWFLSA-N 0 3 342.443 1.511 20 10 EDCDHN C[C@@H]1CCCN(S(=O)(=O)NC[C@H](N)c2ccc(N(C)C)cc2)C1 ZINC000842783911 595196655 /nfs/dbraw/zinc/19/66/55/595196655.db2.gz FJXYQZQWSHPHMK-CJNGLKHVSA-N 0 3 340.493 1.319 20 10 EDCDHN C[C@@H]1C[C@H](S(=O)(=O)NC[C@H](N)c2ccc(N(C)C)cc2)CCO1 ZINC000842785494 595197815 /nfs/dbraw/zinc/19/78/15/595197815.db2.gz NXFKSOULLOYZHS-WQVCFCJDSA-N 0 3 341.477 1.239 20 10 EDCDHN CC[C@@H](N)C(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000844192340 595298328 /nfs/dbraw/zinc/29/83/28/595298328.db2.gz MAFZISRAMIYFNF-QGZVFWFLSA-N 0 3 334.464 1.061 20 10 EDCDHN CN(C)c1ccc(CNC(=O)CN(C)[C@H](CN)C(F)(F)F)cc1 ZINC000852762812 595532433 /nfs/dbraw/zinc/53/24/33/595532433.db2.gz XGUSBXKJYLJGHR-CYBMUJFWSA-N 0 3 332.370 1.190 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@@H]1[C@H](C)O[C@H](C)[C@H]1C)cc2=O ZINC000859827997 596204001 /nfs/dbraw/zinc/20/40/01/596204001.db2.gz VMKPJVUPPFZVBN-OZWUEAAUSA-N 0 3 348.403 1.513 20 10 EDCDHN COc1ccc([O-])c(C[NH2+][C@H]2CCN(c3ccc4nncn4n3)C2)c1 ZINC000862482360 596334675 /nfs/dbraw/zinc/33/46/75/596334675.db2.gz SIFUJKKEYYYPJJ-ZDUSSCGKSA-N 0 3 340.387 1.207 20 10 EDCDHN Cc1cc(Br)cc(C[NH2+]C[C@H]2COCCN2C)c1[O-] ZINC000862508527 596338891 /nfs/dbraw/zinc/33/88/91/596338891.db2.gz SWZVIKAOQCYHQB-ZDUSSCGKSA-N 0 3 329.238 1.883 20 10 EDCDHN Cc1ccn(C[C@H](C)C(=O)NC[C@H](N)c2ccc(N(C)C)cc2)n1 ZINC000870933668 596411124 /nfs/dbraw/zinc/41/11/24/596411124.db2.gz STNRFNUZPZIRKT-GUYCJALGSA-N 0 3 329.448 1.710 20 10 EDCDHN [NH3+]Cc1cc(=O)[n-]c(CNCc2ccc(N3CCCCC3)cc2)n1 ZINC000863649215 596644600 /nfs/dbraw/zinc/64/46/00/596644600.db2.gz WTFWHKXJWFCRMQ-UHFFFAOYSA-N 0 3 327.432 1.921 20 10 EDCDHN COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000866441331 596887578 /nfs/dbraw/zinc/88/75/78/596887578.db2.gz ZOGIVOFJEZYMQL-FYLLDIAZSA-N 0 3 338.379 1.735 20 10 EDCDHN COc1ccc(CN[C@H]2CCC(=O)N(C)C2=O)cc1Cn1cccn1 ZINC000873134077 597207247 /nfs/dbraw/zinc/20/72/47/597207247.db2.gz NJBDBKCJZQRGOD-HNNXBMFYSA-N 0 3 342.399 1.177 20 10 EDCDHN CCOC(=O)CNC(=O)C1CC[NH+](Cc2ccc(C)cc2[O-])CC1 ZINC000876811056 597349164 /nfs/dbraw/zinc/34/91/64/597349164.db2.gz GNMBEGBNVSWUKW-UHFFFAOYSA-N 0 3 334.416 1.592 20 10 EDCDHN CC[C@@H](C)[C@H](N)C(=O)N1CCN(c2ccc(OC)cc2OC)CC1 ZINC000877227500 597467762 /nfs/dbraw/zinc/46/77/62/597467762.db2.gz LDEDXZGVTGZOGH-DYVFJYSZSA-N 0 3 335.448 1.726 20 10 EDCDHN O=C1NCC2(CCN(Cc3ccc(N4CCC(O)CC4)cc3)CC2)O1 ZINC000877461028 597518994 /nfs/dbraw/zinc/51/89/94/597518994.db2.gz WPAZFTAJIWWVMO-UHFFFAOYSA-N 0 3 345.443 1.722 20 10 EDCDHN COCCN(CCN(C)C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877526141 597530814 /nfs/dbraw/zinc/53/08/14/597530814.db2.gz QEKUOEOXIKGFTN-UHFFFAOYSA-N 0 3 335.492 1.658 20 10 EDCDHN COC(=O)[C@H](C)NC(=O)[C@H](C)NCc1cc(Cl)cc(OC)c1O ZINC000877679253 597547196 /nfs/dbraw/zinc/54/71/96/597547196.db2.gz MFMOETYCJHBUAJ-IUCAKERBSA-N 0 3 344.795 1.210 20 10 EDCDHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000879647396 597674038 /nfs/dbraw/zinc/67/40/38/597674038.db2.gz BPMBYEPJLITKPY-UPJWGTAASA-N 0 3 340.445 1.077 20 10 EDCDHN CC(C)[C@H](N)c1cn(CC(=O)NCc2ccc(N(C)C)cc2)nn1 ZINC000881093727 598074124 /nfs/dbraw/zinc/07/41/24/598074124.db2.gz GUJIKCVHCIQRFV-KRWDZBQOSA-N 0 3 330.436 1.316 20 10 EDCDHN C[C@H](NC(=O)N1CCCN(C)CC1)c1ccc(N2CCOCC2)cc1 ZINC000920921879 697491315 /nfs/dbraw/zinc/49/13/15/697491315.db2.gz YCMXQEXUYOCZJD-INIZCTEOSA-N 0 3 346.475 1.931 20 10 EDCDHN Cc1cccc(CN2CCC(N[C@@H]3CCS(=O)(=O)C3)CC2)c1O ZINC000372813028 250226441 /nfs/dbraw/zinc/22/64/41/250226441.db2.gz SGBRZCCRCOGWKT-MRXNPFEDSA-N 0 3 338.473 1.442 20 10 EDCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC1CCN(C)CC1 ZINC000285148980 285100418 /nfs/dbraw/zinc/10/04/18/285100418.db2.gz ZACLUJSGJURRJC-UHFFFAOYSA-N 0 3 346.475 1.312 20 10 EDCDHN CCN(CCO)CCNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000187316473 442669092 /nfs/dbraw/zinc/66/90/92/442669092.db2.gz OGRIURDEYGNQHW-UHFFFAOYSA-N 0 3 332.448 1.176 20 10 EDCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCN(C)CCOC ZINC000263727196 443236994 /nfs/dbraw/zinc/23/69/94/443236994.db2.gz FFFNENGIZWSWAQ-UHFFFAOYSA-N 0 3 336.480 1.862 20 10 EDCDHN CCS(=O)(=O)NCCN(Cc1ccc(N(C)C)cc1)C(C)C ZINC000264562156 443326879 /nfs/dbraw/zinc/32/68/79/443326879.db2.gz PNPNNXIPRQVXRP-UHFFFAOYSA-N 0 3 327.494 1.902 20 10 EDCDHN COc1cc([O-])c(C[NH2+][C@@H]2CCCN(c3ccnn3C)C2)cc1OC ZINC000278567203 443364117 /nfs/dbraw/zinc/36/41/17/443364117.db2.gz BNCGALIVXJLWHF-CQSZACIVSA-N 0 3 346.431 1.902 20 10 EDCDHN O=C(NCc1ccc(N2CCOCC2)cc1)C12CCCN1CCC2 ZINC000278808428 443447701 /nfs/dbraw/zinc/44/77/01/443447701.db2.gz HXOIRVVVEHNOER-UHFFFAOYSA-N 0 3 329.444 1.768 20 10 EDCDHN COc1cccc(CN(C)C[C@@H](O)COCCOC(C)C)c1O ZINC000271139671 443492484 /nfs/dbraw/zinc/49/24/84/443492484.db2.gz OHTYESPETAQBSO-OAHLLOKOSA-N 0 3 327.421 1.635 20 10 EDCDHN COc1cccc(C[N@H+](C)C[C@@H](O)COCCOC(C)C)c1[O-] ZINC000271139671 443492487 /nfs/dbraw/zinc/49/24/87/443492487.db2.gz OHTYESPETAQBSO-OAHLLOKOSA-N 0 3 327.421 1.635 20 10 EDCDHN COc1cccc(C[N@@H+](C)C[C@@H](O)COCCOC(C)C)c1[O-] ZINC000271139671 443492492 /nfs/dbraw/zinc/49/24/92/443492492.db2.gz OHTYESPETAQBSO-OAHLLOKOSA-N 0 3 327.421 1.635 20 10 EDCDHN Cn1cc([C@H]2OCCC[C@@H]2[NH2+]Cc2cc3c(cc2[O-])OCO3)cn1 ZINC000275517065 443630106 /nfs/dbraw/zinc/63/01/06/443630106.db2.gz KUSHPNSWYSEJKL-SUMWQHHRSA-N 0 3 331.372 1.864 20 10 EDCDHN CNC(=O)c1ccn([C@H]2CCCN(Cc3cc(OC)ccc3O)C2)n1 ZINC000275671950 443636149 /nfs/dbraw/zinc/63/61/49/443636149.db2.gz VPFHQTGVMOIIFF-AWEZNQCLSA-N 0 3 344.415 1.794 20 10 EDCDHN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)CCN2CCN(C)CC2)c1 ZINC000274613153 443608533 /nfs/dbraw/zinc/60/85/33/443608533.db2.gz KOJSKBWHZUCORN-LSDHHAIUSA-N 0 3 349.475 1.855 20 10 EDCDHN Cn1cc([C@@H]2NC(=O)CC[C@H]2NCc2ccc3c(c2)CCO3)cn1 ZINC000275732365 443640331 /nfs/dbraw/zinc/64/03/31/443640331.db2.gz ZYLLFTWYVRMTRD-QAPCUYQASA-N 0 3 326.400 1.465 20 10 EDCDHN Cc1ccc([O-])c(C[N@H+]2CC[C@H](N(C)Cc3nccc(N)n3)C2)c1 ZINC000275830975 443644429 /nfs/dbraw/zinc/64/44/29/443644429.db2.gz VIRJFYRHLSLKDZ-HNNXBMFYSA-N 0 3 327.432 1.779 20 10 EDCDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@H](N(C)Cc3nccc(N)n3)C2)c1 ZINC000275830975 443644430 /nfs/dbraw/zinc/64/44/30/443644430.db2.gz VIRJFYRHLSLKDZ-HNNXBMFYSA-N 0 3 327.432 1.779 20 10 EDCDHN CC[C@H](C)N(CCO)CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000286728420 443722619 /nfs/dbraw/zinc/72/26/19/443722619.db2.gz BLCYHDWHUJCXNA-INIZCTEOSA-N 0 3 349.475 1.437 20 10 EDCDHN C[C@@H]1CCCN(CCNC(=O)C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000283840062 443737998 /nfs/dbraw/zinc/73/79/98/443737998.db2.gz CJRSPERTHXACTB-OAHLLOKOSA-N 0 3 346.475 1.217 20 10 EDCDHN C[C@@H]1NCCN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)[C@H]1C ZINC000277436450 443986903 /nfs/dbraw/zinc/98/69/03/443986903.db2.gz CYMVQVOKXQUWII-TWZSPHTKSA-N 0 3 329.444 1.745 20 10 EDCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H](n3cnc(C(N)=O)n3)C2)cc1C ZINC000364670837 445942656 /nfs/dbraw/zinc/94/26/56/445942656.db2.gz FCZPZNBTZAURQO-CQSZACIVSA-N 0 3 329.404 1.537 20 10 EDCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@@H](n3cnc(C(N)=O)n3)C2)cc1C ZINC000364670837 445942661 /nfs/dbraw/zinc/94/26/61/445942661.db2.gz FCZPZNBTZAURQO-CQSZACIVSA-N 0 3 329.404 1.537 20 10 EDCDHN Cc1cc(O)c(CN2CCC[C@@H](n3cnc(C(N)=O)n3)C2)cc1C ZINC000364670837 445942666 /nfs/dbraw/zinc/94/26/66/445942666.db2.gz FCZPZNBTZAURQO-CQSZACIVSA-N 0 3 329.404 1.537 20 10 EDCDHN CN(C)c1ccc(CN2CC[C@H](N(C)Cc3nccc(N)n3)C2)cc1 ZINC000369510234 446126902 /nfs/dbraw/zinc/12/69/02/446126902.db2.gz PBLXUPRLYURCEJ-KRWDZBQOSA-N 0 3 340.475 1.831 20 10 EDCDHN Cc1cc(Cl)cc(C[NH2+][C@H]2CCN(c3ccn(C)n3)C2=O)c1[O-] ZINC000362035327 446169699 /nfs/dbraw/zinc/16/96/99/446169699.db2.gz ZTPKWLWJHBEHRL-ZDUSSCGKSA-N 0 3 334.807 1.983 20 10 EDCDHN COc1ccc(N2CCCN(C(=O)C[C@@H]3CSCCN3)CC2)cc1 ZINC000237263966 536671632 /nfs/dbraw/zinc/67/16/32/536671632.db2.gz QSYQDVJIISHXCF-OAHLLOKOSA-N 0 3 349.500 1.829 20 10 EDCDHN CCOc1ccc(C[NH2+][C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)c([O-])c1 ZINC000742390472 579450489 /nfs/dbraw/zinc/45/04/89/579450489.db2.gz ICOBLOZXRQFYOK-LRDDRELGSA-N 0 3 344.415 1.808 20 10 EDCDHN O=C([C@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1)N1CCCC1 ZINC000732192448 578696783 /nfs/dbraw/zinc/69/67/83/578696783.db2.gz YVNZXCLNSAHRBZ-ZDUSSCGKSA-N 0 3 332.400 1.955 20 10 EDCDHN O=C([C@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OCO3)C1)N1CCCC1 ZINC000732192448 578696785 /nfs/dbraw/zinc/69/67/85/578696785.db2.gz YVNZXCLNSAHRBZ-ZDUSSCGKSA-N 0 3 332.400 1.955 20 10 EDCDHN COc1cc(Br)cc(C[NH2+]C2(CO)CCOCC2)c1[O-] ZINC000734845316 578839867 /nfs/dbraw/zinc/83/98/67/578839867.db2.gz NVAXHWFNVZWWQU-UHFFFAOYSA-N 0 3 346.221 1.794 20 10 EDCDHN COc1ccc(N2CCN(C[C@H](O)CN3CCC3(C)C)CC2)cc1 ZINC000754066923 579895367 /nfs/dbraw/zinc/89/53/67/579895367.db2.gz NBLDDAWLXRTPRN-KRWDZBQOSA-N 0 3 333.476 1.662 20 10 EDCDHN COc1cccc([O-])c1C[NH+]1CCC(C(=O)N2CCOCC2)CC1 ZINC000768193719 580208625 /nfs/dbraw/zinc/20/86/25/580208625.db2.gz JWPXMVXFUMRQKA-UHFFFAOYSA-N 0 3 334.416 1.472 20 10 EDCDHN COc1cc([O-])c(C[NH2+]C2CCN(C(=O)C3CC3)CC2)cc1OC ZINC000775637572 580395884 /nfs/dbraw/zinc/39/58/84/580395884.db2.gz SDRZEBIFDYPSCL-UHFFFAOYSA-N 0 3 334.416 1.900 20 10 EDCDHN CCOc1ccc(C[NH2+][C@H]2CCOC[C@H]2OCCOC)c([O-])c1 ZINC000776812608 580429425 /nfs/dbraw/zinc/42/94/25/580429425.db2.gz LULVMYVJKXHMOL-DOTOQJQBSA-N 0 3 325.405 1.701 20 10 EDCDHN CN1CCN(CCNC(=O)/C=C/c2ccc(O)c(O)c2)CC1(C)C ZINC000799743157 581035825 /nfs/dbraw/zinc/03/58/25/581035825.db2.gz XSJQANFXUOMTNY-FNORWQNLSA-N 0 3 333.432 1.253 20 10 EDCDHN CCOc1ccc([O-])c(C[NH2+][C@H]2CCC[C@@H]2CNS(C)(=O)=O)c1 ZINC000800310279 581050329 /nfs/dbraw/zinc/05/03/29/581050329.db2.gz VRGRFYKYLOTKMQ-DOMZBBRYSA-N 0 3 342.461 1.598 20 10 EDCDHN COc1cccc(CNS(=O)(=O)CCCN2CCCC2)c1O ZINC000866840497 590627040 /nfs/dbraw/zinc/62/70/40/590627040.db2.gz HDJBLXVRAKTAGT-UHFFFAOYSA-N 0 3 328.434 1.306 20 10 EDCDHN CN1CCN(C2CCN(C(=O)NCCc3ccc(N)cc3)CC2)CC1 ZINC000892038244 590764067 /nfs/dbraw/zinc/76/40/67/590764067.db2.gz BRHFOLQOQRODSG-UHFFFAOYSA-N 0 3 345.491 1.233 20 10 EDCDHN CC1(C)OC[C@H](CNCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)O1 ZINC000893328145 590782363 /nfs/dbraw/zinc/78/23/63/590782363.db2.gz JPHCOYJRFSOTAM-WBVHZDCISA-N 0 3 347.459 1.629 20 10 EDCDHN CNC(=O)CCCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000892233619 590878463 /nfs/dbraw/zinc/87/84/63/590878463.db2.gz HBXJLUKTQQWMPC-MRXNPFEDSA-N 0 3 349.479 1.181 20 10 EDCDHN COCc1nc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)no1 ZINC000891247180 591016398 /nfs/dbraw/zinc/01/63/98/591016398.db2.gz GRROQDGVUHTUJO-AWEZNQCLSA-N 0 3 347.419 1.315 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)CC2OCCCO2)N(C)C)cc1 ZINC000891248825 591019052 /nfs/dbraw/zinc/01/90/52/591019052.db2.gz OGOLFRYABWXRHF-INIZCTEOSA-N 0 3 335.448 1.625 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)c2nccnc2N)N(C)C)cc1 ZINC000891251517 591020134 /nfs/dbraw/zinc/02/01/34/591020134.db2.gz FUIHLRICKSWHGP-AWEZNQCLSA-N 0 3 328.420 1.158 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cc[nH]c(=O)c2)N(C)C)cc1 ZINC000891251498 591020524 /nfs/dbraw/zinc/02/05/24/591020524.db2.gz FKESMWHNHINVDV-MRXNPFEDSA-N 0 3 328.416 1.886 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)CCN2CCOCC2)N(C)C)cc1 ZINC000891254543 591021639 /nfs/dbraw/zinc/02/16/39/591021639.db2.gz ZHWLKWDCRCYYKV-SFHVURJKSA-N 0 3 348.491 1.194 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)CCN2CCOC2=O)N(C)C)cc1 ZINC000891255990 591021867 /nfs/dbraw/zinc/02/18/67/591021867.db2.gz USLHHBKGIOCSBQ-INIZCTEOSA-N 0 3 348.447 1.314 20 10 EDCDHN COc1ccc(CN2CCC[C@@H](N3CCNC3=O)C2)c(O)c1OC ZINC000891746296 591207650 /nfs/dbraw/zinc/20/76/50/591207650.db2.gz SJNVWJLNEWEGMA-CYBMUJFWSA-N 0 3 335.404 1.399 20 10 EDCDHN COCCO[C@H]1C[C@H](CO)CN(Cc2cc(C)cc(OC)c2O)C1 ZINC000894581045 591352167 /nfs/dbraw/zinc/35/21/67/591352167.db2.gz IJJFDCYTQFGXNP-HOCLYGCPSA-N 0 3 339.432 1.555 20 10 EDCDHN CNC(=O)C[C@@H](C)NCc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000894918524 591474631 /nfs/dbraw/zinc/47/46/31/591474631.db2.gz WMBXPVWYNLAZIJ-SNVBAGLBSA-N 0 3 335.379 1.718 20 10 EDCDHN CCOc1cccc(C[N@@H+]2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)c1[O-] ZINC000897609459 591585226 /nfs/dbraw/zinc/58/52/26/591585226.db2.gz HISLBWVALRPHLO-YPMHNXCESA-N 0 3 328.434 1.147 20 10 EDCDHN CCOc1cccc(C[N@H+]2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)c1[O-] ZINC000897609459 591585228 /nfs/dbraw/zinc/58/52/28/591585228.db2.gz HISLBWVALRPHLO-YPMHNXCESA-N 0 3 328.434 1.147 20 10 EDCDHN COc1ccc(CN2CCC(Cn3cnnc3)CC2)c(O)c1OC ZINC000895153742 591622031 /nfs/dbraw/zinc/62/20/31/591622031.db2.gz LNYNSSWDQXOBGI-UHFFFAOYSA-N 0 3 332.404 1.913 20 10 EDCDHN CCO[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-])CN(C)C ZINC000896879986 591645072 /nfs/dbraw/zinc/64/50/72/591645072.db2.gz KORKUAVILISRRQ-GFCCVEGCSA-N 0 3 327.381 1.365 20 10 EDCDHN CCO[C@H](CNCc1ccc([N+](=O)[O-])c(OC)c1[O-])C[NH+](C)C ZINC000896879986 591645076 /nfs/dbraw/zinc/64/50/76/591645076.db2.gz KORKUAVILISRRQ-GFCCVEGCSA-N 0 3 327.381 1.365 20 10 EDCDHN C[C@H](CCO)N(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899098012 591687248 /nfs/dbraw/zinc/68/72/48/591687248.db2.gz KLBATPGSPNEEIJ-RHSMWYFYSA-N 0 3 336.480 1.768 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)N2CCC[C@](C)(O)C2)N(C)C)cc1 ZINC000899100616 591690124 /nfs/dbraw/zinc/69/01/24/591690124.db2.gz AYXMWDVYGOZTAJ-HKUYNNGSSA-N 0 3 348.491 1.912 20 10 EDCDHN COc1ccc(CN2CCN(Cc3n[nH]c(C)n3)CC2)c(O)c1OC ZINC000895374336 591734284 /nfs/dbraw/zinc/73/42/84/591734284.db2.gz WJGWVHRAEJNSQJ-UHFFFAOYSA-N 0 3 347.419 1.154 20 10 EDCDHN CCOC(=O)N1C[C@H](CO)[C@H](NCc2ccc(N(C)C)cc2C)C1 ZINC000898350914 591883541 /nfs/dbraw/zinc/88/35/41/591883541.db2.gz NCYHBYOOGRQCKY-NVXWUHKLSA-N 0 3 335.448 1.600 20 10 EDCDHN CCN(CC)c1ccc(CNC(=O)C[C@@]2(O)CCCN(C)C2)cc1 ZINC000900260315 591963665 /nfs/dbraw/zinc/96/36/65/591963665.db2.gz BXAPLSRJZCEONY-IBGZPJMESA-N 0 3 333.476 1.996 20 10 EDCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1C[C@@H](N)C(C)(C)C1 ZINC000903715112 592291203 /nfs/dbraw/zinc/29/12/03/592291203.db2.gz BBSYNUKEPRXPSR-MRXNPFEDSA-N 0 3 346.475 1.297 20 10 EDCDHN COC(=O)c1nc(C(=O)NC[C@H](N)c2ccc(N(C)C)cc2)cs1 ZINC000911668518 592974409 /nfs/dbraw/zinc/97/44/09/592974409.db2.gz YRXKHTBAAIAQTH-LBPRGKRZSA-N 0 3 348.428 1.426 20 10 EDCDHN C[C@@H](NC(=O)NC[C@@H]1CCCN1CCCO)c1ccc(N(C)C)cc1 ZINC000838558959 593187469 /nfs/dbraw/zinc/18/74/69/593187469.db2.gz IXLWTSQYUCKKBC-QAPCUYQASA-N 0 3 348.491 1.960 20 10 EDCDHN CO[C@H]1C[C@H](NCC(=O)NCc2ccc(N(C)C)cc2)C12CCC2 ZINC000839191352 593272925 /nfs/dbraw/zinc/27/29/25/593272925.db2.gz OGHOUDWGOKQYFQ-IRXDYDNUSA-N 0 3 331.460 1.916 20 10 EDCDHN CN(C)c1ccc(CN(C)C(=O)C(=O)N(C)C[C@@H]2CCCN2C)cc1 ZINC000817761528 593629030 /nfs/dbraw/zinc/62/90/30/593629030.db2.gz MFFHTFRIKKEPCL-KRWDZBQOSA-N 0 3 346.475 1.264 20 10 EDCDHN CCN1CCN(c2ccc(CNC[C@H](O)CSC)cc2F)CC1 ZINC000819033879 593734953 /nfs/dbraw/zinc/73/49/53/593734953.db2.gz TVQBTEJDCOFISK-HNNXBMFYSA-N 0 3 341.496 1.781 20 10 EDCDHN CCOC(=O)[C@@H]1CN(Cc2cc(OCC)ccc2O)CC12COC2 ZINC000824489271 594023849 /nfs/dbraw/zinc/02/38/49/594023849.db2.gz IWKXJLYHIMDSJD-HNNXBMFYSA-N 0 3 335.400 1.802 20 10 EDCDHN CCOC(=O)[C@H]1CN(Cc2cc(OCC)ccc2O)CC12COC2 ZINC000824489272 594023957 /nfs/dbraw/zinc/02/39/57/594023957.db2.gz IWKXJLYHIMDSJD-OAHLLOKOSA-N 0 3 335.400 1.802 20 10 EDCDHN COc1ccc(N2CC[C@@H](CNC(=O)N[C@@H]3CCCN(C)C3)C2)cc1 ZINC000823248833 594175465 /nfs/dbraw/zinc/17/54/65/594175465.db2.gz USVDAVWHUXMYCS-JKSUJKDBSA-N 0 3 346.475 1.915 20 10 EDCDHN CNC(=O)c1cccc(C(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)c1 ZINC000832272657 594739466 /nfs/dbraw/zinc/73/94/66/594739466.db2.gz IDSBENVNFIDQRS-QGZVFWFLSA-N 0 3 340.427 1.542 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNC(=O)c2cn3c(n2)CCCC3)cc1 ZINC000832284054 594740229 /nfs/dbraw/zinc/74/02/29/594740229.db2.gz HDUXQAJOHYPRCN-OAHLLOKOSA-N 0 3 327.432 1.715 20 10 EDCDHN CC(=O)Nc1nc(C(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)cs1 ZINC000832299845 594741208 /nfs/dbraw/zinc/74/12/08/594741208.db2.gz KFAHOTRHNSOYRM-CYBMUJFWSA-N 0 3 347.444 1.597 20 10 EDCDHN Cc1cc(N(C)C)ccc1CNC[C@H]1CCCCN1S(C)(=O)=O ZINC000840947509 594831405 /nfs/dbraw/zinc/83/14/05/594831405.db2.gz XBWGVQKRVGWHMP-QGZVFWFLSA-N 0 3 339.505 1.965 20 10 EDCDHN C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(N)cc1 ZINC000841021213 594840881 /nfs/dbraw/zinc/84/08/81/594840881.db2.gz DUBDDQYFLMNYGN-MGPQQGTHSA-N 0 3 332.448 1.690 20 10 EDCDHN CC(C)C(=O)N1CCC[C@H]1C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1 ZINC000843296669 595065335 /nfs/dbraw/zinc/06/53/35/595065335.db2.gz CZSXOFOCKOWJQA-SJORKVTESA-N 0 3 346.475 1.516 20 10 EDCDHN CCC[NH2+][C@H](C)C(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1[O-] ZINC000843489236 595127895 /nfs/dbraw/zinc/12/78/95/595127895.db2.gz JMYCRZJYRYAVOV-LLVKDONJSA-N 0 3 342.823 1.935 20 10 EDCDHN CCS(=O)(=O)N(C)CCC[NH2+][C@@H](C)c1cccc(OC)c1[O-] ZINC000846140281 595155206 /nfs/dbraw/zinc/15/52/06/595155206.db2.gz MFVHYEBZMYFUCR-LBPRGKRZSA-N 0 3 330.450 1.723 20 10 EDCDHN Cc1cc(N(C)C)ccc1C[C@@H](C)NS(=O)(=O)CCCN(C)C ZINC000867409908 595197942 /nfs/dbraw/zinc/19/79/42/595197942.db2.gz RJQALJGUHILFSI-OAHLLOKOSA-N 0 3 341.521 1.863 20 10 EDCDHN CN(C)c1ccc(/C=C/CNCCC(=O)N2CCN(C)CC2)cc1 ZINC000835038239 595251181 /nfs/dbraw/zinc/25/11/81/595251181.db2.gz PHYPRZNFXSCFGC-SNAWJCMRSA-N 0 3 330.476 1.520 20 10 EDCDHN CC1(C)CN[C@@H]1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000844174354 595291808 /nfs/dbraw/zinc/29/18/08/595291808.db2.gz XMVCCSHPGRJAKM-QGZVFWFLSA-N 0 3 331.460 1.510 20 10 EDCDHN CNS(=O)(=O)CCCN(C)CCN(C)c1ccc(OC)cc1 ZINC000844400365 595337676 /nfs/dbraw/zinc/33/76/76/595337676.db2.gz AVXBJJYHJJUKIG-UHFFFAOYSA-N 0 3 329.466 1.003 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)c2conc2C(C)(C)N)cc1 ZINC000848393099 595372975 /nfs/dbraw/zinc/37/29/75/595372975.db2.gz PUUIKZWTPVJTCW-AWEZNQCLSA-N 0 3 331.420 1.364 20 10 EDCDHN CN(C)c1ccc(CNC(=O)CN(C)[C@@H](CN)C(F)(F)F)cc1 ZINC000852762813 595532538 /nfs/dbraw/zinc/53/25/38/595532538.db2.gz XGUSBXKJYLJGHR-ZDUSSCGKSA-N 0 3 332.370 1.190 20 10 EDCDHN Cc1ccncc1S(=O)(=O)NC[C@@H](N)c1ccc(N(C)C)cc1 ZINC000850586900 595539155 /nfs/dbraw/zinc/53/91/55/595539155.db2.gz JZMUNCMBCYCXLM-OAHLLOKOSA-N 0 3 334.445 1.434 20 10 EDCDHN CC[C@@H]1C[C@@H](NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CO1 ZINC000850135933 595749984 /nfs/dbraw/zinc/74/99/84/595749984.db2.gz SKPOQPYPISMCBB-NVXWUHKLSA-N 0 3 338.473 1.579 20 10 EDCDHN CN1c2ccccc2C[C@@H](NCc2cc3c(cc2O)OCO3)C1=O ZINC000850352824 595815880 /nfs/dbraw/zinc/81/58/80/595815880.db2.gz JGRNTBGITWKEQA-CYBMUJFWSA-N 0 3 326.352 1.798 20 10 EDCDHN CC(C)[C@@H](C(=O)NCc1ccc(N2CCC(O)CC2)cc1)N(C)C ZINC000856211561 595926863 /nfs/dbraw/zinc/92/68/63/595926863.db2.gz USASPCSLSPEUGE-SFHVURJKSA-N 0 3 333.476 1.850 20 10 EDCDHN C[C@@H](NC[C@H](O)CC1(O)CCC1)c1ccc(N2CCOCC2)cc1 ZINC000859230353 596011481 /nfs/dbraw/zinc/01/14/81/596011481.db2.gz VEAFOFDRBKJDHP-CRAIPNDOSA-N 0 3 334.460 1.840 20 10 EDCDHN CCc1noc(C[C@@]2(O)CCCN(Cc3cc(OC)ccc3O)C2)n1 ZINC000856595053 596027452 /nfs/dbraw/zinc/02/74/52/596027452.db2.gz NAWBJUDOGOJIHZ-SFHVURJKSA-N 0 3 347.415 1.916 20 10 EDCDHN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@H](CO)CN(C)C)c1 ZINC000861717206 596078618 /nfs/dbraw/zinc/07/86/18/596078618.db2.gz CUQJQGMZJUOCKS-KRWDZBQOSA-N 0 3 343.427 1.559 20 10 EDCDHN Cn1nccc1[C@@H](O)C1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000857061155 596150272 /nfs/dbraw/zinc/15/02/72/596150272.db2.gz KUXNSSUXISVFMR-SFHVURJKSA-N 0 3 345.399 1.800 20 10 EDCDHN CC(C)C1(S(=O)(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)CC1 ZINC000866756998 596324667 /nfs/dbraw/zinc/32/46/67/596324667.db2.gz GKICQUPKOZBHJR-OAHLLOKOSA-N 0 3 325.478 1.860 20 10 EDCDHN CN(C)c1cc(F)c(CNCC(C)(C)CS(N)(=O)=O)cc1F ZINC000865814682 596694926 /nfs/dbraw/zinc/69/49/26/596694926.db2.gz YNVSZVLWDGWKMM-UHFFFAOYSA-N 0 3 335.420 1.435 20 10 EDCDHN CN(Cc1ccc(N2CCOCC2)cc1)C[C@@H](O)C[C@@](C)(O)C1CC1 ZINC000863968188 596736440 /nfs/dbraw/zinc/73/64/40/596736440.db2.gz FKRFWXHPMFURPI-VQTJNVASSA-N 0 3 348.487 1.867 20 10 EDCDHN CN(C)c1ccc(CN(CCO)CCN2CCOCC2)cc1F ZINC000124133297 596960665 /nfs/dbraw/zinc/96/06/65/596960665.db2.gz MYXNDJDDGNULSU-UHFFFAOYSA-N 0 3 325.428 1.018 20 10 EDCDHN COc1ccc(CNC[C@H](O)C2CCOCC2)cc1Cn1cccn1 ZINC000873055033 597173530 /nfs/dbraw/zinc/17/35/30/597173530.db2.gz BNPJCICTBIZAIN-SFHVURJKSA-N 0 3 345.443 1.817 20 10 EDCDHN COc1ccc(CNCCN2CCC(O)CC2)cc1Cn1cccn1 ZINC000873129049 597205974 /nfs/dbraw/zinc/20/59/74/597205974.db2.gz GDAHCEVMONPANF-UHFFFAOYSA-N 0 3 344.459 1.486 20 10 EDCDHN CCN1C[C@@H](NCc2ccc(OC)c(Cn3cccn3)c2)CC1=O ZINC000873131859 597206445 /nfs/dbraw/zinc/20/64/45/597206445.db2.gz XTYZLDXCDNECCJ-INIZCTEOSA-N 0 3 328.416 1.650 20 10 EDCDHN CCOCCN1CCN(Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876563571 597241908 /nfs/dbraw/zinc/24/19/08/597241908.db2.gz AWGNNNGXWQPDPB-UHFFFAOYSA-N 0 3 347.503 1.802 20 10 EDCDHN Oc1cc(OCc2ccccc2)ccc1CN1CC[C@@H](O)[C@@H](O)C1 ZINC000877748910 597553047 /nfs/dbraw/zinc/55/30/47/597553047.db2.gz DWKLAYKYBVLJNJ-MJGOQNOKSA-N 0 3 329.396 1.899 20 10 EDCDHN C[C@H](NC(=O)N[C@H]1CCN(C)[C@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000914400716 695388654 /nfs/dbraw/zinc/38/86/54/695388654.db2.gz RWLCZMHGQKZSLK-MPGHIAIKSA-N 0 3 346.475 1.976 20 10 EDCDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181045577 699089126 /nfs/dbraw/zinc/08/91/26/699089126.db2.gz HGGLDHUEXNTRRK-PMGBHYCQSA-N 0 3 334.416 1.680 20 10 EDCDHN CCN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@H]1CCN(CCCO)C1 ZINC001034051833 709280835 /nfs/dbraw/zinc/28/08/35/709280835.db2.gz BCKJECOFMIDNEJ-HNNXBMFYSA-N 0 3 347.419 1.768 20 10 EDCDHN Cn1ccnc(N2CCC[C@H]([NH2+][C@@H]3CCc4cccc([O-])c43)C2)c1=O ZINC000296351476 282735322 /nfs/dbraw/zinc/73/53/22/282735322.db2.gz HMNJKQLKTNLBJW-LSDHHAIUSA-N 0 3 340.427 1.732 20 10 EDCDHN CCC[C@@H](N)C(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000269240714 249377901 /nfs/dbraw/zinc/37/79/01/249377901.db2.gz BEEBGXRPGWNSCD-GOSISDBHSA-N 0 3 348.491 1.451 20 10 EDCDHN O=C(NCc1ccc(O)c(O)c1)c1cnn(CCN2CCCCC2)c1 ZINC000367907162 250197416 /nfs/dbraw/zinc/19/74/16/250197416.db2.gz SLAUZTOAXFCOPV-UHFFFAOYSA-N 0 3 344.415 1.710 20 10 EDCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2[C@H]2CCCO2)c1 ZINC000377746437 250292580 /nfs/dbraw/zinc/29/25/80/250292580.db2.gz OUHCUCBSQXICKQ-KHXXDLOKSA-N 0 3 334.416 1.878 20 10 EDCDHN Cn1cc([C@@H](O)C[C@@H]2CCC[N@H+]2Cc2cc3c(cc2[O-])OCO3)cn1 ZINC000378381214 447423482 /nfs/dbraw/zinc/42/34/82/447423482.db2.gz WQRAGWDQDMBBNR-GJZGRUSLSA-N 0 3 345.399 1.943 20 10 EDCDHN Cn1cc([C@@H](O)C[C@@H]2CCC[N@@H+]2Cc2cc3c(cc2[O-])OCO3)cn1 ZINC000378381214 447423476 /nfs/dbraw/zinc/42/34/76/447423476.db2.gz WQRAGWDQDMBBNR-GJZGRUSLSA-N 0 3 345.399 1.943 20 10 EDCDHN COCCN(C)CCNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000171198064 442326071 /nfs/dbraw/zinc/32/60/71/442326071.db2.gz ODQLZYVOCPBUQM-UHFFFAOYSA-N 0 3 334.464 1.664 20 10 EDCDHN COc1ccc(N2CCN(C(=O)[C@@H](N)CCSC)CC2)cc1F ZINC000178867611 442507782 /nfs/dbraw/zinc/50/77/82/442507782.db2.gz RHNKZMJXRQITCK-AWEZNQCLSA-N 0 3 341.452 1.563 20 10 EDCDHN COc1ccc(N2CCN(CCN[C@H](C)c3cnccn3)CC2)cc1 ZINC000268853194 443127346 /nfs/dbraw/zinc/12/73/46/443127346.db2.gz UALCCCBNULDEAH-MRXNPFEDSA-N 0 3 341.459 1.958 20 10 EDCDHN COc1ccc([O-])c([C@H](C)[NH2+]CC2(OCCO)CCOCC2)c1 ZINC000282461744 443346724 /nfs/dbraw/zinc/34/67/24/443346724.db2.gz FZBBXBUCMSRZKY-ZDUSSCGKSA-N 0 3 325.405 1.610 20 10 EDCDHN Cc1ccc(O)c(CN2CCN(c3nccn4cnnc34)[C@H](C)C2)c1 ZINC000271312912 443500716 /nfs/dbraw/zinc/50/07/16/443500716.db2.gz XHEDYBGYHQSSNI-CQSZACIVSA-N 0 3 338.415 1.849 20 10 EDCDHN Cc1cc(Cl)cc(CN2CCN(CCC(=O)N(C)C)CC2)c1O ZINC000271802268 443514125 /nfs/dbraw/zinc/51/41/25/443514125.db2.gz KXTANWULPHWYGD-UHFFFAOYSA-N 0 3 339.867 1.950 20 10 EDCDHN C[C@H]([NH2+]C1CCN(CCN(C)C)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273423170 443572058 /nfs/dbraw/zinc/57/20/58/443572058.db2.gz SOSYEYWCRMAERV-ZDUSSCGKSA-N 0 3 336.436 1.977 20 10 EDCDHN COC1CCN(c2ccc(CN3CCCN(C=O)CC3)cc2)CC1 ZINC000298203233 443719397 /nfs/dbraw/zinc/71/93/97/443719397.db2.gz YDHQGNRLRMCQAU-UHFFFAOYSA-N 0 3 331.460 1.966 20 10 EDCDHN CCC[C@@]1(NCc2cc(=O)n3ncc(C(=O)OCC)c3[nH]2)CCOC1 ZINC000285540190 444021788 /nfs/dbraw/zinc/02/17/88/444021788.db2.gz LMFLBVAGXXCTAG-QGZVFWFLSA-N 0 3 348.403 1.660 20 10 EDCDHN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@@]1(F)CCNC1 ZINC000370763629 446423178 /nfs/dbraw/zinc/42/31/78/446423178.db2.gz NBNJJICSYQNFDO-GOSISDBHSA-N 0 3 335.423 1.213 20 10 EDCDHN COc1cccc(C[NH2+]C[C@H]2CCC[C@]23NC(=O)N(C)C3=O)c1[O-] ZINC000371083962 446618088 /nfs/dbraw/zinc/61/80/88/446618088.db2.gz FJMAWXZVPNGIMT-PXAZEXFGSA-N 0 3 333.388 1.211 20 10 EDCDHN CN1CCCc2cc(CNC(=O)[C@@H]3CN4CCN3CCC4)ccc21 ZINC000372358350 447048168 /nfs/dbraw/zinc/04/81/68/447048168.db2.gz RGGAWQMYFIZNBP-SFHVURJKSA-N 0 3 328.460 1.075 20 10 EDCDHN COc1ccc([O-])c([C@@H](C)[NH+]2CCC(N3CCN(C)CC3=O)CC2)c1 ZINC000372500342 447092305 /nfs/dbraw/zinc/09/23/05/447092305.db2.gz BRMCEKWVTOVZKV-CQSZACIVSA-N 0 3 347.459 1.700 20 10 EDCDHN COc1ccc(O)c([C@@H](C)N2CCC(N3CCN(C)CC3=O)CC2)c1 ZINC000372500342 447092309 /nfs/dbraw/zinc/09/23/09/447092309.db2.gz BRMCEKWVTOVZKV-CQSZACIVSA-N 0 3 347.459 1.700 20 10 EDCDHN O=C(NCc1ccccc1O)NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000734272605 578804121 /nfs/dbraw/zinc/80/41/21/578804121.db2.gz NDZNQUKDMNQSSE-INIZCTEOSA-N 0 3 333.432 1.835 20 10 EDCDHN COc1ccc(N2CCN(C(=O)CN[C@@H](CCO)C3CC3)CC2)cc1 ZINC000763065072 580091650 /nfs/dbraw/zinc/09/16/50/580091650.db2.gz KKPBGMBIQVCROJ-SFHVURJKSA-N 0 3 347.459 1.094 20 10 EDCDHN COc1cc([O-])c(C[NH2+][C@H](CCO)C2CCOCC2)cc1OC ZINC000764680138 580126347 /nfs/dbraw/zinc/12/63/47/580126347.db2.gz ZEIOKYXYCRWWMJ-CQSZACIVSA-N 0 3 325.405 1.677 20 10 EDCDHN CC[C@H](C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)N(C)C ZINC000764970482 580132374 /nfs/dbraw/zinc/13/23/74/580132374.db2.gz OPZXBKRPXWLJDD-NVXWUHKLSA-N 0 3 346.475 1.345 20 10 EDCDHN COC[C@@](C)(O)CN[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000765939963 580154310 /nfs/dbraw/zinc/15/43/10/580154310.db2.gz USXKTGJZYXNKOD-DYVFJYSZSA-N 0 3 326.412 1.710 20 10 EDCDHN CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768445113 580213094 /nfs/dbraw/zinc/21/30/94/580213094.db2.gz QDJLDJDROYNXSE-DYVFJYSZSA-N 0 3 348.443 1.946 20 10 EDCDHN CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768445113 580213095 /nfs/dbraw/zinc/21/30/95/580213095.db2.gz QDJLDJDROYNXSE-DYVFJYSZSA-N 0 3 348.443 1.946 20 10 EDCDHN O=C([C@@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1)N1CCCC1 ZINC000768447373 580213252 /nfs/dbraw/zinc/21/32/52/580213252.db2.gz OQUFLGWLKKJRHV-CXAGYDPISA-N 0 3 346.427 1.652 20 10 EDCDHN O=C([C@@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1)N1CCCC1 ZINC000768447373 580213253 /nfs/dbraw/zinc/21/32/53/580213253.db2.gz OQUFLGWLKKJRHV-CXAGYDPISA-N 0 3 346.427 1.652 20 10 EDCDHN CCOc1cccc(CN2CCC[C@H]2CS(=O)(=O)NC)c1O ZINC000769534580 580239459 /nfs/dbraw/zinc/23/94/59/580239459.db2.gz WPTRYCDXYDXCEX-ZDUSSCGKSA-N 0 3 328.434 1.305 20 10 EDCDHN COCCO[C@@H]1C[C@@H](CO)C[N@H+](Cc2c([O-])cccc2OC)C1 ZINC000775201188 580385558 /nfs/dbraw/zinc/38/55/58/580385558.db2.gz CLJBJQREQHFBKU-ZIAGYGMSSA-N 0 3 325.405 1.247 20 10 EDCDHN COCCO[C@@H]1C[C@@H](CO)C[N@@H+](Cc2c([O-])cccc2OC)C1 ZINC000775201188 580385559 /nfs/dbraw/zinc/38/55/59/580385559.db2.gz CLJBJQREQHFBKU-ZIAGYGMSSA-N 0 3 325.405 1.247 20 10 EDCDHN CN(C)C(=O)NCCN(C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000779432547 580485553 /nfs/dbraw/zinc/48/55/53/580485553.db2.gz USSJJPUVWINHEV-UHFFFAOYSA-N 0 3 333.480 1.141 20 10 EDCDHN CC(C)CN(CCN(C)C)C(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000785427228 580643809 /nfs/dbraw/zinc/64/38/09/580643809.db2.gz AXQWNZMIIZHXPT-UHFFFAOYSA-N 0 3 348.491 1.415 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@@H]1CSC[C@@H]1C)cc2=O ZINC000796403357 580953176 /nfs/dbraw/zinc/95/31/76/580953176.db2.gz OTWUNWRZHJZPPW-JOYOIKCWSA-N 0 3 336.417 1.453 20 10 EDCDHN C[C@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1cc(F)ccc1[O-] ZINC000797121494 580968598 /nfs/dbraw/zinc/96/85/98/580968598.db2.gz ZWJFMNOEQISJMW-AAEUAGOBSA-N 0 3 330.425 1.996 20 10 EDCDHN COc1ccc(C[NH2+]C[C@H]2COC3(CCOCC3)O2)c([O-])c1OC ZINC000893321272 590777851 /nfs/dbraw/zinc/77/78/51/590777851.db2.gz XVAJDSBKIGBYJR-ZDUSSCGKSA-N 0 3 339.388 1.421 20 10 EDCDHN COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CNC(=O)C2)c([O-])c1OC ZINC000892246345 590885640 /nfs/dbraw/zinc/88/56/40/590885640.db2.gz LVNICGCVWZXQQH-UONOGXRCSA-N 0 3 334.416 1.900 20 10 EDCDHN COc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CNC(=O)C2)c([O-])c1OC ZINC000892246345 590885643 /nfs/dbraw/zinc/88/56/43/590885643.db2.gz LVNICGCVWZXQQH-UONOGXRCSA-N 0 3 334.416 1.900 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)c2c[nH]c(=S)[nH]2)N(C)C)cc1 ZINC000891247568 591017107 /nfs/dbraw/zinc/01/71/07/591017107.db2.gz IEVKSBLIMNXVLX-CQSZACIVSA-N 0 3 333.461 1.797 20 10 EDCDHN COc1ccc(CNCCS(=O)(=O)NC(C)(C)C)c(O)c1OC ZINC000892703013 591138211 /nfs/dbraw/zinc/13/82/11/591138211.db2.gz IAGWWTSENFAONV-UHFFFAOYSA-N 0 3 346.449 1.217 20 10 EDCDHN COc1ccc(CN2CCC(N3CN=NC3=O)CC2)c(O)c1OC ZINC000894157963 591211327 /nfs/dbraw/zinc/21/13/27/591211327.db2.gz JPNOYIPZUOBLMU-UHFFFAOYSA-N 0 3 334.376 1.544 20 10 EDCDHN COC(=O)c1c(CNC[C@@]2(C)CCC(=O)N2)c2cc(F)ccc2n1C ZINC000894967729 591501633 /nfs/dbraw/zinc/50/16/33/591501633.db2.gz QSPPDZWPTCKGKT-GOSISDBHSA-N 0 3 347.390 1.862 20 10 EDCDHN C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)N1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000895119068 591598808 /nfs/dbraw/zinc/59/88/08/591598808.db2.gz UPYTWMJZSRDTJW-ARFHVFGLSA-N 0 3 330.476 1.536 20 10 EDCDHN CC(C)[C@@H](CO)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899101827 591682670 /nfs/dbraw/zinc/68/26/70/591682670.db2.gz MPBVDJXLNHLXRM-SJORKVTESA-N 0 3 336.480 1.671 20 10 EDCDHN CCOC(=O)N1C[C@H](CO)[C@H](NCc2ccc3c(c2)CCCO3)C1 ZINC000898348632 591881110 /nfs/dbraw/zinc/88/11/10/591881110.db2.gz QPXNJFWNAXNOFJ-HZPDHXFCSA-N 0 3 334.416 1.550 20 10 EDCDHN O=C1NCCN1CC1CC[NH+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000902585792 592019952 /nfs/dbraw/zinc/01/99/52/592019952.db2.gz HCOZQWQJQKRBOQ-INIZCTEOSA-N 0 3 347.415 1.055 20 10 EDCDHN CC(C)N1CCN(CCC(=O)NCCc2ccc(O)c(O)c2)CC1 ZINC000901121797 592240623 /nfs/dbraw/zinc/24/06/23/592240623.db2.gz JCMGXFXZMNSKOM-UHFFFAOYSA-N 0 3 335.448 1.173 20 10 EDCDHN Cc1nc2n(n1)C[C@H](C(=O)NC[C@H](N)c1ccc(N(C)C)cc1)CC2 ZINC000911667393 592974226 /nfs/dbraw/zinc/97/42/26/592974226.db2.gz QKDGJLMWXJBXFQ-ZBFHGGJFSA-N 0 3 342.447 1.031 20 10 EDCDHN Cc1ccc(C(=O)N2CCC(CO)([NH2+]CC(C)C)CC2)c([O-])c1O ZINC000912586351 593106512 /nfs/dbraw/zinc/10/65/12/593106512.db2.gz BCWILTHPXKMUKL-UHFFFAOYSA-N 0 3 336.432 1.619 20 10 EDCDHN CON1CCC(N(C)CC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000839618522 593351963 /nfs/dbraw/zinc/35/19/63/593351963.db2.gz LEACKUNFXCTXEZ-UHFFFAOYSA-N 0 3 334.464 1.326 20 10 EDCDHN COC(=O)[C@@H](NC(=O)CN[C@H](C)c1ccc(N(C)C)cc1)C(C)C ZINC000809980147 593373747 /nfs/dbraw/zinc/37/37/47/593373747.db2.gz KCNFBXCCMUYRSJ-DYVFJYSZSA-N 0 3 335.448 1.717 20 10 EDCDHN COc1ccc(N2CCN(C(=O)CN3CC[C@@H](O)C3(C)C)CC2)cc1 ZINC000812864280 593511338 /nfs/dbraw/zinc/51/13/38/593511338.db2.gz CWVSWLHFSWSDBV-QGZVFWFLSA-N 0 3 347.459 1.189 20 10 EDCDHN C[C@H](N[C@@H]1CCC(=O)N(C)C1=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000818360719 593694574 /nfs/dbraw/zinc/69/45/74/593694574.db2.gz BRWHZSARQNIGLG-SWLSCSKDSA-N 0 3 349.406 1.460 20 10 EDCDHN CCN(CC)c1ccc(CNC[C@H](O)CN2CCN(C)CC2)cc1 ZINC000818965151 593730760 /nfs/dbraw/zinc/73/07/60/593730760.db2.gz QDBXTFCEPZDAAV-IBGZPJMESA-N 0 3 334.508 1.231 20 10 EDCDHN CON(C)C(=O)CCNCc1ccc(N2CCOCC2)c(F)c1 ZINC000818965953 593731012 /nfs/dbraw/zinc/73/10/12/593731012.db2.gz DYGNQIOHZWDTDW-UHFFFAOYSA-N 0 3 325.384 1.162 20 10 EDCDHN O=C(C[C@H]1CNCCO1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000829003791 594546996 /nfs/dbraw/zinc/54/69/96/594546996.db2.gz REEXFFIXAMGDDJ-HOTGVXAUSA-N 0 3 334.416 1.278 20 10 EDCDHN CC[C@@H](C)[C@H](N)C(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1 ZINC000832173196 594732265 /nfs/dbraw/zinc/73/22/65/594732265.db2.gz NSWXFTRNZWYCNW-KDOFPFPSSA-N 0 3 346.475 1.345 20 10 EDCDHN COCCNCCNC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000841849541 594965323 /nfs/dbraw/zinc/96/53/23/594965323.db2.gz ZUQSQNSXNQQQCU-UHFFFAOYSA-N 0 3 334.445 1.282 20 10 EDCDHN CN1CCN(CCNC(=O)NCCc2ccc(N)cc2)CC1(C)C ZINC000841895653 594975892 /nfs/dbraw/zinc/97/58/92/594975892.db2.gz HCCCCLRWPWGCJJ-UHFFFAOYSA-N 0 3 333.480 1.137 20 10 EDCDHN CN1CCCc2cc(CNC(=O)C(=O)N3CCCC[C@@H]3CN)ccc21 ZINC000842150435 595023896 /nfs/dbraw/zinc/02/38/96/595023896.db2.gz SEDFUTIEMUWKTJ-MRXNPFEDSA-N 0 3 344.459 1.025 20 10 EDCDHN CCN(CC)c1ccc(CNC(=O)C(=O)N2CCCC[C@@H]2CN)cc1 ZINC000842207595 595039532 /nfs/dbraw/zinc/03/95/32/595039532.db2.gz OAEMGUXCVXAOTA-QGZVFWFLSA-N 0 3 346.475 1.489 20 10 EDCDHN C[C@@H](CNC(=O)C(=O)NCCc1ccc(N)cc1)N1CCC[C@@H](C)C1 ZINC000842237279 595049510 /nfs/dbraw/zinc/04/95/10/595049510.db2.gz CFWRPUUFODSOKF-CABCVRRESA-N 0 3 346.475 1.164 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNC(=O)c2cn(C3CCC3)nn2)cc1 ZINC000843296928 595065648 /nfs/dbraw/zinc/06/56/48/595065648.db2.gz CUGRMSRYSPDLCO-OAHLLOKOSA-N 0 3 328.420 1.499 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNC(=O)[C@H]2CCCc3n[nH]cc32)cc1 ZINC000843299533 595066432 /nfs/dbraw/zinc/06/64/32/595066432.db2.gz XJVZYFJGJPVCJZ-GOEBONIOSA-N 0 3 327.432 1.712 20 10 EDCDHN Cc1cc(C(=O)N2CCN(C)C[C@H]2CN)c(C)n1-c1ccc(F)cc1 ZINC000843357145 595086525 /nfs/dbraw/zinc/08/65/25/595086525.db2.gz DVJPSWIMQHNHIO-QGZVFWFLSA-N 0 3 344.434 1.948 20 10 EDCDHN COCCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)c1cccc(OC)c1[O-] ZINC000846162129 595162426 /nfs/dbraw/zinc/16/24/26/595162426.db2.gz BCRNUMYXIIGNEG-JGGQBBKZSA-N 0 3 325.405 1.872 20 10 EDCDHN CN(C)c1ccc(/C=C/CN2CCC[C@@H](N3CCNCC3=O)C2)cc1 ZINC000843063366 595277583 /nfs/dbraw/zinc/27/75/83/595277583.db2.gz ABDHNHMPXMQJDY-MEDHRJKHSA-N 0 3 342.487 1.662 20 10 EDCDHN O=[N+]([O-])c1cc(Cl)cc(CN2CC[C@H](N3CC[NH2+]CC3)C2)c1[O-] ZINC000843121489 595291904 /nfs/dbraw/zinc/29/19/04/595291904.db2.gz HXWXUFYMZDABMV-ZDUSSCGKSA-N 0 3 340.811 1.433 20 10 EDCDHN CCNCC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000844188374 595296997 /nfs/dbraw/zinc/29/69/97/595296997.db2.gz RVHUNAHUIMILFD-GFCCVEGCSA-N 0 3 327.375 1.983 20 10 EDCDHN COC(=O)[C@]12C[N@H+](Cc3cc4c(cc3[O-])OC[C@H]4O)C[C@H]1CCCC2 ZINC000848491555 595395259 /nfs/dbraw/zinc/39/52/59/595395259.db2.gz WBXGRYOCURYZRB-VVFCZOMOSA-N 0 3 347.411 1.983 20 10 EDCDHN COC(=O)[C@]12C[N@@H+](Cc3cc4c(cc3[O-])OC[C@H]4O)C[C@H]1CCCC2 ZINC000848491555 595395261 /nfs/dbraw/zinc/39/52/61/595395261.db2.gz WBXGRYOCURYZRB-VVFCZOMOSA-N 0 3 347.411 1.983 20 10 EDCDHN CN(Cc1ccccc1O)C(=O)[C@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC000849561195 595568457 /nfs/dbraw/zinc/56/84/57/595568457.db2.gz HRAHDYUGYRPBRH-IRXDYDNUSA-N 0 3 342.443 1.820 20 10 EDCDHN CCN(C(=O)NCc1ccc(N2CCOCC2)cc1)[C@H]1CCN(C)C1 ZINC000853474486 595762020 /nfs/dbraw/zinc/76/20/20/595762020.db2.gz JJEDALPGLLVLLU-SFHVURJKSA-N 0 3 346.475 1.759 20 10 EDCDHN C[C@H](NC[C@@H](O)[C@@H]1CCCO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000858469671 595804023 /nfs/dbraw/zinc/80/40/23/595804023.db2.gz XXALTDHPLAGWHO-VHSSKADRSA-N 0 3 338.423 1.853 20 10 EDCDHN C[C@@H]1CN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@@]1(C)CO ZINC000852700023 596229801 /nfs/dbraw/zinc/22/98/01/596229801.db2.gz AWEIYAKUAPJLHT-BEFAXECRSA-N 0 3 333.476 1.661 20 10 EDCDHN Cc1ccc(O)c(CNC(=O)C(C)S(=O)(=O)C2CCOCC2)c1 ZINC000862758041 596406012 /nfs/dbraw/zinc/40/60/12/596406012.db2.gz MUZGYFVPWBUJDK-GFCCVEGCSA-N 0 3 341.429 1.299 20 10 EDCDHN O=C(N1Cc2cccc(O)c2C1)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000871202211 596496998 /nfs/dbraw/zinc/49/69/98/596496998.db2.gz AHIKJSQOTDFVQG-HXUWFJFHSA-N 0 3 338.407 1.871 20 10 EDCDHN CNS(=O)(=O)C[C@@H]1CCCN(Cc2cc(C)cc(OC)c2O)C1 ZINC000863340119 596556629 /nfs/dbraw/zinc/55/66/29/596556629.db2.gz IDHRCDSKSJUPRU-CYBMUJFWSA-N 0 3 342.461 1.470 20 10 EDCDHN Cc1cc(CC(=O)NCCN2CC[C@H](O)C2)c(C)n1-c1ccccc1 ZINC000863834988 596701534 /nfs/dbraw/zinc/70/15/34/596701534.db2.gz PAQIWAOAGXTREO-IBGZPJMESA-N 0 3 341.455 1.819 20 10 EDCDHN Cc1cc(N(C)C)ccc1CNC(=O)c1cnn(CCN(C)C)c1 ZINC000865905069 596717032 /nfs/dbraw/zinc/71/70/32/596717032.db2.gz WMKMDFFFCFFWCS-UHFFFAOYSA-N 0 3 329.448 1.749 20 10 EDCDHN O=S1(=O)C[C@@H]2CC[N@@H+](Cc3c([O-])ccc4ccncc43)C[C@@H]2C1 ZINC000872797279 597074566 /nfs/dbraw/zinc/07/45/66/597074566.db2.gz YIDXLURQWYOMNT-UONOGXRCSA-N 0 3 332.425 1.807 20 10 EDCDHN O=S1(=O)C[C@@H]2CC[N@H+](Cc3c([O-])ccc4ccncc43)C[C@@H]2C1 ZINC000872797279 597074570 /nfs/dbraw/zinc/07/45/70/597074570.db2.gz YIDXLURQWYOMNT-UONOGXRCSA-N 0 3 332.425 1.807 20 10 EDCDHN COc1ccc(CN[C@@H]2C(=O)NCC[C@H]2C)cc1Cn1cccn1 ZINC000873122784 597203687 /nfs/dbraw/zinc/20/36/87/597203687.db2.gz WFPAOWNZQCHDCX-DYVFJYSZSA-N 0 3 328.416 1.554 20 10 EDCDHN COC[C@H](NCc1ccc(N2CCC(O)CC2)cc1)[C@@H]1CCCO1 ZINC000877489346 597524203 /nfs/dbraw/zinc/52/42/03/597524203.db2.gz MXTOIIDLRUKPOE-OALUTQOASA-N 0 3 334.460 1.931 20 10 EDCDHN C[C@@H]1CN(Cc2ccc(N3CCC(O)CC3)cc2)C[C@H](C)N1CCO ZINC000877568513 597537415 /nfs/dbraw/zinc/53/74/15/597537415.db2.gz PXBLHTUBZSLNNV-CALCHBBNSA-N 0 3 347.503 1.535 20 10 EDCDHN O=C1[C@@H](NCc2ccc(N3CCC(O)CC3)cc2)C[C@@H]2CCCCN12 ZINC000877579218 597537951 /nfs/dbraw/zinc/53/79/51/597537951.db2.gz OSTDTPYCYQHRAB-HKUYNNGSSA-N 0 3 343.471 1.891 20 10 EDCDHN COc1cccc(O)c1CN1CCc2c(CC(N)=O)cccc2C1 ZINC000877680518 597547212 /nfs/dbraw/zinc/54/72/12/597547212.db2.gz ZDHFOBFJJQXCHB-UHFFFAOYSA-N 0 3 326.396 1.987 20 10 EDCDHN CCOC(=O)[C@@H]1CCCN(C(=O)C[NH2+][C@@H](C)c2ccccc2[O-])C1 ZINC000879651653 597674620 /nfs/dbraw/zinc/67/46/20/597674620.db2.gz FMLRGOQNAXTKON-UONOGXRCSA-N 0 3 334.416 1.845 20 10 EDCDHN COCc1cc(CNCc2ccc(N3CCN(C)CC3)cc2)no1 ZINC000883283576 597699663 /nfs/dbraw/zinc/69/96/63/597699663.db2.gz KPHCJFMWLWYDOH-UHFFFAOYSA-N 0 3 330.432 1.863 20 10 EDCDHN C[C@@H]([NH2+][C@@H]1CCCN(CCN2CCOCC2)C1)c1ccccc1[O-] ZINC000883371086 597725750 /nfs/dbraw/zinc/72/57/50/597725750.db2.gz YOSDZKRCIRXOQA-IAGOWNOFSA-N 0 3 333.476 1.839 20 10 EDCDHN CO[C@]1(CNC/C=C/c2ccc(N(C)C)cc2)CCS(=O)(=O)C1 ZINC000922617684 704152245 /nfs/dbraw/zinc/15/22/45/704152245.db2.gz UPVLHIAMYSNZPW-BDUNBXCCSA-N 0 3 338.473 1.559 20 10 EDCDHN CCOCc1cc(CNC(C)(C)CNS(C)(=O)=O)ccc1OC ZINC000922637401 704166708 /nfs/dbraw/zinc/16/67/08/704166708.db2.gz CATXLVOWJZFUJQ-UHFFFAOYSA-N 0 3 344.477 1.649 20 10 EDCDHN CN(C)c1ccc(CNC(=O)[C@H](N)CN(C)Cc2ccccc2)cc1 ZINC000702368375 709503700 /nfs/dbraw/zinc/50/37/00/709503700.db2.gz APKYYBMSIVFTRT-LJQANCHMSA-N 0 3 340.471 1.828 20 10 EDCDHN C[C@@H](N[C@@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(N(C)C)cc1 ZINC000090017882 237009572 /nfs/dbraw/zinc/00/95/72/237009572.db2.gz VNKAKZUNONTCJP-CXAGYDPISA-N 0 3 327.432 1.942 20 10 EDCDHN Cc1ccc(O)c(CN2CCN(C[C@H]3CN(C)CCO3)C[C@@H]2C)c1 ZINC000372416130 250220139 /nfs/dbraw/zinc/22/01/39/250220139.db2.gz MRORPXHOKSAXFU-FUHWJXTLSA-N 0 3 333.476 1.537 20 10 EDCDHN C[C@@H]1C[C@H]1N1C[C@@H](NCc2ccc(N3CCOCC3)cc2)CC1=O ZINC000377836589 250293780 /nfs/dbraw/zinc/29/37/80/250293780.db2.gz CKHBMGUSMHAMRT-UWWQBHOKSA-N 0 3 329.444 1.622 20 10 EDCDHN COc1ccc(O)c(CN2CCN(C[C@H]3CN(C)CCO3)C[C@H]2C)c1 ZINC000378437503 447427197 /nfs/dbraw/zinc/42/71/97/447427197.db2.gz GQACAVGLAIHKHL-CRAIPNDOSA-N 0 3 349.475 1.238 20 10 EDCDHN COc1cc([O-])c(C[N@@H+]2CC[C@H](CN3CCOCC3)C2)cc1OC ZINC000160294502 441871159 /nfs/dbraw/zinc/87/11/59/441871159.db2.gz OBSHHUCQHDTDMV-CQSZACIVSA-N 0 3 336.432 1.564 20 10 EDCDHN COc1cc([O-])c(C[N@H+]2CC[C@H](CN3CCOCC3)C2)cc1OC ZINC000160294502 441871160 /nfs/dbraw/zinc/87/11/60/441871160.db2.gz OBSHHUCQHDTDMV-CQSZACIVSA-N 0 3 336.432 1.564 20 10 EDCDHN CN(C)c1ccc(CNCCS(=O)(=O)NCc2ccccc2)cc1 ZINC000069065303 441885524 /nfs/dbraw/zinc/88/55/24/441885524.db2.gz DBOMUMFCRQDKDD-UHFFFAOYSA-N 0 3 347.484 1.962 20 10 EDCDHN O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cccc(O)c1[O-] ZINC000189911222 443028115 /nfs/dbraw/zinc/02/81/15/443028115.db2.gz IZSWWIPDZRJOLX-GJZGRUSLSA-N 0 3 334.416 1.596 20 10 EDCDHN C[C@@H]([NH2+]CCCNS(C)(=O)=O)c1cc2c(cc1[O-])CCCC2 ZINC000184921206 443098607 /nfs/dbraw/zinc/09/86/07/443098607.db2.gz YSRIKYOKIKQMMT-GFCCVEGCSA-N 0 3 326.462 1.861 20 10 EDCDHN N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000237810398 443183556 /nfs/dbraw/zinc/18/35/56/443183556.db2.gz SLTWRYMUIXFXIE-IBGZPJMESA-N 0 3 339.439 1.709 20 10 EDCDHN COc1cccc(CNCc2ccc(OCC(N)=O)c(OC)c2)c1O ZINC000263729265 443237061 /nfs/dbraw/zinc/23/70/61/443237061.db2.gz XUSPPUWZDIRMSL-UHFFFAOYSA-N 0 3 346.383 1.563 20 10 EDCDHN CCC[C@@H](N)C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000272467207 443328711 /nfs/dbraw/zinc/32/87/11/443328711.db2.gz PPJVAIOEJBLJLW-QGZVFWFLSA-N 0 3 334.464 1.061 20 10 EDCDHN CN(C)CCN(C)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000267111632 443345041 /nfs/dbraw/zinc/34/50/41/443345041.db2.gz YSDZTQMPWWTHAH-UHFFFAOYSA-N 0 3 338.427 1.365 20 10 EDCDHN C[C@@H](O)C[C@@H]1CCCN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000269786300 443440464 /nfs/dbraw/zinc/44/04/64/443440464.db2.gz HXGBEYLDNIHPSN-QAPCUYQASA-N 0 3 333.476 1.946 20 10 EDCDHN CN1CCC[C@@H]1CNC(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000264888480 443468244 /nfs/dbraw/zinc/46/82/44/443468244.db2.gz JJGAGVSHJCBYJV-AHKGRUIUSA-N 0 3 329.444 1.747 20 10 EDCDHN C[C@@H]([NH2+][C@@H]1CCCN(c2nccn(C)c2=O)C1)c1ccccc1[O-] ZINC000278882998 443471618 /nfs/dbraw/zinc/47/16/18/443471618.db2.gz CUIIPLXJOPFALO-ZIAGYGMSSA-N 0 3 328.416 1.806 20 10 EDCDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)c([O-])c1C ZINC000273542090 443579115 /nfs/dbraw/zinc/57/91/15/443579115.db2.gz YLDILGQWASDIOG-UONOGXRCSA-N 0 3 326.462 1.941 20 10 EDCDHN CCOC(=O)[C@@H](C)[C@H](C)NCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000273973326 443589186 /nfs/dbraw/zinc/58/91/86/443589186.db2.gz HSEXYMOIGIYNMA-GJZGRUSLSA-N 0 3 349.475 1.888 20 10 EDCDHN O=C(NCC(F)(F)F)[C@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000275012759 443618105 /nfs/dbraw/zinc/61/81/05/443618105.db2.gz NRZPQUVPKXEZEU-VIFPVBQESA-N 0 3 346.305 1.621 20 10 EDCDHN O=C(NCC(F)(F)F)[C@H]1CC[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000275012759 443618108 /nfs/dbraw/zinc/61/81/08/443618108.db2.gz NRZPQUVPKXEZEU-VIFPVBQESA-N 0 3 346.305 1.621 20 10 EDCDHN COC(=O)c1cn(CC[NH2+][C@@H](C)c2cc3c(cc2[O-])CCCC3)nn1 ZINC000284335690 443773253 /nfs/dbraw/zinc/77/32/53/443773253.db2.gz LCMSVRKAODCJGK-LBPRGKRZSA-N 0 3 344.415 2.000 20 10 EDCDHN CO[C@H]1C[C@@H](CN(C)CC(=O)NCc2ccc(N(C)C)cc2)N(C)C1 ZINC000285013894 443821880 /nfs/dbraw/zinc/82/18/80/443821880.db2.gz ZSZTYQYOBZHLGF-ROUUACIJSA-N 0 3 348.491 1.020 20 10 EDCDHN COc1ccc(N2CCN(CCNC(=O)[C@H](C)NC3CC3)CC2)cc1 ZINC000295268646 444174188 /nfs/dbraw/zinc/17/41/88/444174188.db2.gz VLKAFOXMPFYQGM-HNNXBMFYSA-N 0 3 346.475 1.074 20 10 EDCDHN C[C@@]1(C[C@H]2CCC[N@@H+]2Cc2cc3c(cc2[O-])OCO3)NC(=O)NC1=O ZINC000289629026 444183052 /nfs/dbraw/zinc/18/30/52/444183052.db2.gz LXJOXGGJVJUNOV-DIFFPNOSSA-N 0 3 347.371 1.074 20 10 EDCDHN C[C@@]1(C[C@H]2CCC[N@H+]2Cc2cc3c(cc2[O-])OCO3)NC(=O)NC1=O ZINC000289629026 444183054 /nfs/dbraw/zinc/18/30/54/444183054.db2.gz LXJOXGGJVJUNOV-DIFFPNOSSA-N 0 3 347.371 1.074 20 10 EDCDHN C[C@@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)CCN(C2CC2)C1 ZINC000296720645 444249604 /nfs/dbraw/zinc/24/96/04/444249604.db2.gz NAKMVVHHQBCHSG-MRXNPFEDSA-N 0 3 344.503 1.785 20 10 EDCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(CCN3CCOCC3)C2)c([O-])c1 ZINC000359955039 445503076 /nfs/dbraw/zinc/50/30/76/445503076.db2.gz AQALRGFXVWHXPA-DLBZAZTESA-N 0 3 333.476 1.758 20 10 EDCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)c1 ZINC000363857542 445879659 /nfs/dbraw/zinc/87/96/59/445879659.db2.gz QKJPBGYELLMNCO-PZROIBLQSA-N 0 3 347.415 1.772 20 10 EDCDHN O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1CN2CCN1CCC2 ZINC000367059836 446494675 /nfs/dbraw/zinc/49/46/75/446494675.db2.gz LHLQTHSBCUSFNY-QGZVFWFLSA-N 0 3 329.444 1.277 20 10 EDCDHN CCN(CC)c1ccc(CNC(=O)[C@H]2CN3CCN2CCC3)cc1 ZINC000371239811 446709061 /nfs/dbraw/zinc/70/90/61/446709061.db2.gz QWIYUUJQOGKFLR-GOSISDBHSA-N 0 3 330.476 1.539 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCC[C@H]1C1CC1)cc2=O ZINC000377542220 447193606 /nfs/dbraw/zinc/19/36/06/447193606.db2.gz FODITWQYFZSQFF-AWEZNQCLSA-N 0 3 330.388 1.986 20 10 EDCDHN C[C@@H](O)C[C@@H]1CCCCN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000298622602 525821345 /nfs/dbraw/zinc/82/13/45/525821345.db2.gz VBNQZLSVJQETJJ-QAPCUYQASA-N 0 3 333.476 1.994 20 10 EDCDHN COc1cc(N2CCN(C[C@@H]3CCOC3)CC2)cc(OC)c1OC ZINC000759879412 580017756 /nfs/dbraw/zinc/01/77/56/580017756.db2.gz VEUYPRYBTGOWRN-AWEZNQCLSA-N 0 3 336.432 1.871 20 10 EDCDHN CC(C)NS(=O)(=O)NCC[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000760047551 580022104 /nfs/dbraw/zinc/02/21/04/580022104.db2.gz PIUXVDJONDBIHO-ZYHUDNBSSA-N 0 3 345.440 1.502 20 10 EDCDHN C[C@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@@H]1CCCO1 ZINC000753664915 579884549 /nfs/dbraw/zinc/88/45/49/579884549.db2.gz RANVMUKBMBTQPX-YOEHRIQHSA-N 0 3 338.473 1.579 20 10 EDCDHN C[C@H](NCCn1nc2ccccn2c1=O)c1ccc(N(C)C)cc1 ZINC000765399119 580141075 /nfs/dbraw/zinc/14/10/75/580141075.db2.gz AVUGHFZAHLVXRZ-AWEZNQCLSA-N 0 3 325.416 1.913 20 10 EDCDHN Cc1noc([C@H]2CCC[N@H+](Cc3cc4c(cc3[O-])OC[C@H]4O)C2)n1 ZINC000768438987 580212687 /nfs/dbraw/zinc/21/26/87/580212687.db2.gz CSDHEPPJUPAYNX-XHDPSFHLSA-N 0 3 331.372 1.889 20 10 EDCDHN Cc1noc([C@H]2CCC[N@@H+](Cc3cc4c(cc3[O-])OC[C@H]4O)C2)n1 ZINC000768438987 580212688 /nfs/dbraw/zinc/21/26/88/580212688.db2.gz CSDHEPPJUPAYNX-XHDPSFHLSA-N 0 3 331.372 1.889 20 10 EDCDHN CNS(=O)(=O)[C@H]1CCCN(Cc2cc3c(cc2O)CCCC3)C1 ZINC000768445833 580213090 /nfs/dbraw/zinc/21/30/90/580213090.db2.gz IMQARHWQLVRKQR-INIZCTEOSA-N 0 3 338.473 1.785 20 10 EDCDHN COCCCS(=O)(=O)NCCN[C@@H](C)c1cc(OC)ccc1O ZINC000775376077 580389625 /nfs/dbraw/zinc/38/96/25/580389625.db2.gz RVXVJBLVHYEHTP-LBPRGKRZSA-N 0 3 346.449 1.007 20 10 EDCDHN O=C(/C=C\c1ccc(O)c(O)c1)NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000779516948 580487675 /nfs/dbraw/zinc/48/76/75/580487675.db2.gz KXGRSVDWNMXWKU-LEXSJLIMSA-N 0 3 346.427 1.871 20 10 EDCDHN CC[C@@]1(NCC(=O)N2CCN(c3ccc(OC)cc3)CC2)CCOC1 ZINC000792417647 580819589 /nfs/dbraw/zinc/81/95/89/580819589.db2.gz HTPYIODRLVYAKQ-LJQANCHMSA-N 0 3 347.459 1.503 20 10 EDCDHN COc1ccc(N2CCN(CCNc3ccncc3CO)CC2)cc1 ZINC000892084968 590791425 /nfs/dbraw/zinc/79/14/25/590791425.db2.gz WXUVRLCEBKFCIN-UHFFFAOYSA-N 0 3 342.443 1.239 20 10 EDCDHN C[C@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)n1cncn1 ZINC000891247195 591016288 /nfs/dbraw/zinc/01/62/88/591016288.db2.gz GWUDUONCDHHNCM-CJNGLKHVSA-N 0 3 330.436 1.324 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)CCc2cncn2C)N(C)C)cc1 ZINC000891247108 591016505 /nfs/dbraw/zinc/01/65/05/591016505.db2.gz FCWHVFPRQHOQNX-GOSISDBHSA-N 0 3 343.475 1.838 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)CCN2CCOC2=O)N(C)C)cc1 ZINC000891255991 591021539 /nfs/dbraw/zinc/02/15/39/591021539.db2.gz USLHHBKGIOCSBQ-MRXNPFEDSA-N 0 3 348.447 1.314 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)c2ccn(C)c(=O)c2)N(C)C)cc1 ZINC000891256235 591022547 /nfs/dbraw/zinc/02/25/47/591022547.db2.gz VYTOOQUWRWSLPA-QGZVFWFLSA-N 0 3 342.443 1.484 20 10 EDCDHN COc1ccc(CN2CCC(c3nncn3C)CC2)c(O)c1OC ZINC000891693953 591187775 /nfs/dbraw/zinc/18/77/75/591187775.db2.gz JPHPZOKLZQJDPJ-UHFFFAOYSA-N 0 3 332.404 1.918 20 10 EDCDHN COc1cc(C)cc(CN[C@@H]2CCN(c3cnn(C)c3)C2=O)c1O ZINC000894277356 591262062 /nfs/dbraw/zinc/26/20/62/591262062.db2.gz UCKARPMEKCXEOF-CQSZACIVSA-N 0 3 330.388 1.338 20 10 EDCDHN COc1cc(C)cc(CN2CCC[C@@H](n3cc(CO)nn3)C2)c1O ZINC000894859418 591447777 /nfs/dbraw/zinc/44/77/77/591447777.db2.gz IHODLSUDJHQLDV-OAHLLOKOSA-N 0 3 332.404 1.630 20 10 EDCDHN C[C@@H]1COC[C@@H]1NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000896642158 591560754 /nfs/dbraw/zinc/56/07/54/591560754.db2.gz WRSSHPCEQQCTSZ-XOKHGSTOSA-N 0 3 334.464 1.689 20 10 EDCDHN COc1cc(O)c(CN2CCC(CN3CCNC3=O)CC2)cc1OC ZINC000897583040 591566385 /nfs/dbraw/zinc/56/63/85/591566385.db2.gz LTHRZZLBNVGKHJ-UHFFFAOYSA-N 0 3 349.431 1.647 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)N[C@H]2CC23CC(O)C3)N(C)C)cc1 ZINC000899095441 591677226 /nfs/dbraw/zinc/67/72/26/591677226.db2.gz KSSZRQGTULVOBC-ISXWCOSWSA-N 0 3 346.475 1.568 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)N2CC[C@@]3(O)C[C@H]3C2)N(C)C)cc1 ZINC000899097682 591678367 /nfs/dbraw/zinc/67/83/67/591678367.db2.gz DZQSQVXNZTYILF-VDZJLULYSA-N 0 3 346.475 1.522 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)NCCCCCO)N(C)C)cc1 ZINC000899101894 591681908 /nfs/dbraw/zinc/68/19/08/591681908.db2.gz JBGUHGMNQSRMKJ-QGZVFWFLSA-N 0 3 336.480 1.817 20 10 EDCDHN CC(C)[C@@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C(N)=O ZINC000899104180 591684203 /nfs/dbraw/zinc/68/42/03/591684203.db2.gz QJGMOXBEWVKLPR-HZPDHXFCSA-N 0 3 349.479 1.164 20 10 EDCDHN C[C@H](CCO)N(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899098011 591687154 /nfs/dbraw/zinc/68/71/54/591687154.db2.gz KLBATPGSPNEEIJ-PBHICJAKSA-N 0 3 336.480 1.768 20 10 EDCDHN CCOc1ccc([O-])c(C[NH+]2CCC3(CC2)C[C@H](O)CNC3=O)c1 ZINC000897041363 591722315 /nfs/dbraw/zinc/72/23/15/591722315.db2.gz LNXZTMDGINBWEH-AWEZNQCLSA-N 0 3 334.416 1.254 20 10 EDCDHN CN(C)c1ccc(C[NH2+][C@H]2CCN(c3cc(=O)[n-]cn3)C2)cc1F ZINC000898155559 591805583 /nfs/dbraw/zinc/80/55/83/591805583.db2.gz PFFILZFNFFFLDM-ZDUSSCGKSA-N 0 3 331.395 1.756 20 10 EDCDHN CCOC(=O)N1C[C@H](CO)[C@H](NC/C=C\c2ccc(N(C)C)cc2)C1 ZINC000898352417 591884827 /nfs/dbraw/zinc/88/48/27/591884827.db2.gz ZPXJHVPEDLETAX-GOVFWEMJSA-N 0 3 347.459 1.805 20 10 EDCDHN COC[C@@H]1CNCCN1c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] ZINC000900450292 592020912 /nfs/dbraw/zinc/02/09/12/592020912.db2.gz LTRRCOIWWQVVIN-AGLBCWCQSA-N 0 3 335.360 1.206 20 10 EDCDHN CCN(CC)c1ccc(CNC[C@@H](O)C[C@@]2(O)CCOC2)cc1F ZINC000905105556 592408475 /nfs/dbraw/zinc/40/84/75/592408475.db2.gz LSPQQLOLGBAXIR-YJBOKZPZSA-N 0 3 340.439 1.664 20 10 EDCDHN C[C@H](NC(=O)C(=O)N[C@@H]1CCN(C)[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000806043282 593182681 /nfs/dbraw/zinc/18/26/81/593182681.db2.gz ZMGDLSUQZAGPIW-OFQRWUPVSA-N 0 3 346.475 1.529 20 10 EDCDHN COc1ccc(-n2c(C)cc(C(=O)N[C@H](CO)CN(C)C)c2C)cc1 ZINC000808174504 593234197 /nfs/dbraw/zinc/23/41/97/593234197.db2.gz SYWYJYCXPXBOEG-HNNXBMFYSA-N 0 3 345.443 1.755 20 10 EDCDHN OCC(CO)NCc1ccc(N2CCCCC2)c(Br)c1 ZINC000838967174 593244437 /nfs/dbraw/zinc/24/44/37/593244437.db2.gz QLLRXKHIMNGMTJ-UHFFFAOYSA-N 0 3 343.265 1.882 20 10 EDCDHN CON1CCC(N(C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000839129318 593267550 /nfs/dbraw/zinc/26/75/50/593267550.db2.gz JZRWCRPYRZJRBX-UHFFFAOYSA-N 0 3 348.491 1.669 20 10 EDCDHN C[C@@H](CN(C)C)NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000806541255 593457135 /nfs/dbraw/zinc/45/71/35/593457135.db2.gz IEFGMHQDGKWFRC-GJZGRUSLSA-N 0 3 334.464 1.834 20 10 EDCDHN COc1cc(Br)cc(C[NH2+]C2COCCOC2)c1[O-] ZINC000813789749 593555315 /nfs/dbraw/zinc/55/53/15/593555315.db2.gz YOSAXMJGSDWMLM-UHFFFAOYSA-N 0 3 332.194 1.668 20 10 EDCDHN CC[C@@H]([NH2+]CC(=O)N1CCNCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000817945593 593651047 /nfs/dbraw/zinc/65/10/47/593651047.db2.gz HNQOCJZTHOHAJA-CYBMUJFWSA-N 0 3 345.365 1.884 20 10 EDCDHN CC1(C)CN[C@H]1C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000827469498 594675158 /nfs/dbraw/zinc/67/51/58/594675158.db2.gz ZLIJEOVMNGOGGD-HOCLYGCPSA-N 0 3 344.459 1.003 20 10 EDCDHN COc1ccc(N2CC[C@H](CNC(=O)C[C@H]3CNCCO3)C2)cc1 ZINC000831749090 594699137 /nfs/dbraw/zinc/69/91/37/594699137.db2.gz XXFQIFMBWNVWBP-PBHICJAKSA-N 0 3 333.432 1.016 20 10 EDCDHN CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H](C)NC3CC3)cc2)CC1 ZINC000832173210 594732381 /nfs/dbraw/zinc/73/23/81/594732381.db2.gz NXQWPHBPQWWTHC-CQSZACIVSA-N 0 3 344.459 1.112 20 10 EDCDHN COc1cc(Br)cc(CN2CCCO[C@H](C[NH3+])C2)c1[O-] ZINC000841101554 594851317 /nfs/dbraw/zinc/85/13/17/594851317.db2.gz YINNAVNLRJLWSW-GFCCVEGCSA-N 0 3 345.237 1.713 20 10 EDCDHN Nc1ccc(CCNC(=O)C(=O)N2CCC[C@H]2CN2CCCC2)cc1 ZINC000842241949 595051906 /nfs/dbraw/zinc/05/19/06/595051906.db2.gz MGBVHYFHRXAGMO-KRWDZBQOSA-N 0 3 344.459 1.014 20 10 EDCDHN CCCC(=O)N1CCC[C@@H]1C(=O)NC[C@H](N)c1ccc(N(C)C)cc1 ZINC000843298472 595066226 /nfs/dbraw/zinc/06/62/26/595066226.db2.gz NGBYDVQKSKNHNA-DLBZAZTESA-N 0 3 346.475 1.660 20 10 EDCDHN COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)[C@@H]1CCC[NH2+]C1 ZINC000843490427 595128113 /nfs/dbraw/zinc/12/81/13/595128113.db2.gz YYLXEZYARJRBRQ-LLVKDONJSA-N 0 3 340.807 1.547 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNS(=O)(=O)N2CCCCCC2)cc1 ZINC000842786259 595197995 /nfs/dbraw/zinc/19/79/95/595197995.db2.gz OTTOQBXLXNRJRA-MRXNPFEDSA-N 0 3 340.493 1.463 20 10 EDCDHN CN(C)c1ccc(/C=C\CN2CCC(C(=O)NCCCO)CC2)cc1 ZINC000835026694 595247430 /nfs/dbraw/zinc/24/74/30/595247430.db2.gz ZSMDJOQYFLIMGW-HYXAFXHYSA-N 0 3 345.487 1.976 20 10 EDCDHN CN(C)c1ccc(/C=C\CN2CCC[C@@H](CS(N)(=O)=O)C2)cc1 ZINC000835029777 595248206 /nfs/dbraw/zinc/24/82/06/595248206.db2.gz SFHWNXRZRJZJNZ-OICCZTGUSA-N 0 3 337.489 1.766 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNC(=O)c2cccnc2N(C)C)cc1 ZINC000844162977 595287934 /nfs/dbraw/zinc/28/79/34/595287934.db2.gz QFJBZDIXUWBVGV-MRXNPFEDSA-N 0 3 327.432 1.643 20 10 EDCDHN CCS(=O)(=O)NCCCN(C)CCN(C)c1ccc(OC)cc1 ZINC000844400977 595337443 /nfs/dbraw/zinc/33/74/43/595337443.db2.gz JBJAKQTZAGSGBP-UHFFFAOYSA-N 0 3 343.493 1.393 20 10 EDCDHN COc1ccc(N2CC[C@@H](CNC(=O)CN3CC[C@H](C)C3)C2)cc1 ZINC000848229073 595342949 /nfs/dbraw/zinc/34/29/49/595342949.db2.gz GNHXTOMXXJFUQX-HOTGVXAUSA-N 0 3 331.460 1.980 20 10 EDCDHN CN(C)CCn1ccc(C(=O)NCCCSc2nccs2)n1 ZINC000847487345 595432058 /nfs/dbraw/zinc/43/20/58/595432058.db2.gz CHZXIIZFDBULNL-UHFFFAOYSA-N 0 3 339.490 1.813 20 10 EDCDHN C[C@@H](CNCc1cc(F)c(N(C)C)cc1F)N1CCN(C)CC1 ZINC000858127334 595707001 /nfs/dbraw/zinc/70/70/01/595707001.db2.gz YKQLBTLRGFXOOQ-ZDUSSCGKSA-N 0 3 326.435 1.756 20 10 EDCDHN CN(C)c1ccc(CN2CCOC3(CNC3)C2)c(C(F)(F)F)c1 ZINC000853249115 595719569 /nfs/dbraw/zinc/71/95/69/595719569.db2.gz NGBROMMMCOFDPD-UHFFFAOYSA-N 0 3 329.366 1.946 20 10 EDCDHN COc1cccc([O-])c1C[NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1 ZINC000858244612 595741062 /nfs/dbraw/zinc/74/10/62/595741062.db2.gz XUPUDPVJOAAWSF-GFCCVEGCSA-N 0 3 340.387 1.207 20 10 EDCDHN O=C(NCc1ccc(N2CCC(O)CC2)cc1)N1CCCNCC1 ZINC000851679534 595882359 /nfs/dbraw/zinc/88/23/59/595882359.db2.gz CIPYYDWJTPNOQD-UHFFFAOYSA-N 0 3 332.448 1.153 20 10 EDCDHN COC(=O)CCN1CC[C@H](N[C@@H](C)c2cc(OC)ccc2O)C1=O ZINC000851899877 595968627 /nfs/dbraw/zinc/96/86/27/595968627.db2.gz JKICXJFBPPLXQW-FZMZJTMJSA-N 0 3 336.388 1.215 20 10 EDCDHN C[C@@H]1CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@@H]1CO ZINC000856790700 596083579 /nfs/dbraw/zinc/08/35/79/596083579.db2.gz JXQVDENYAJWJBB-NVXWUHKLSA-N 0 3 333.476 1.661 20 10 EDCDHN CN1CCC[C@@H]1[C@H]1COCCN1C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000854642375 596145651 /nfs/dbraw/zinc/14/56/51/596145651.db2.gz LEOLDMROUBRLNM-JFOCPDPESA-N 0 3 332.400 1.433 20 10 EDCDHN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC(N2CCCOCC2)CC1 ZINC000861984542 596170444 /nfs/dbraw/zinc/17/04/44/596170444.db2.gz GWWRSNVLMSQXJX-HWKANZROSA-N 0 3 346.427 1.824 20 10 EDCDHN COC(=O)[C@]1(OC)CCN(Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000862475673 596334909 /nfs/dbraw/zinc/33/49/09/596334909.db2.gz SQGACFMEZYLKJH-IBGZPJMESA-N 0 3 347.459 1.202 20 10 EDCDHN Cc1ccc(O)c(CNC(=O)[C@H]2CCN(C)C[C@H]2c2cnn(C)c2)c1 ZINC000862754314 596404738 /nfs/dbraw/zinc/40/47/38/596404738.db2.gz XLABVOUEJIPQFT-IRXDYDNUSA-N 0 3 342.443 1.786 20 10 EDCDHN C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)CNCC2)c1ccccc1O ZINC000868309416 596782435 /nfs/dbraw/zinc/78/24/35/596782435.db2.gz IEYIKWVRUAHRTQ-LBPRGKRZSA-N 0 3 339.395 1.854 20 10 EDCDHN CNS(=O)(=O)CCC[NH2+][C@@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000866457324 596889510 /nfs/dbraw/zinc/88/95/10/596889510.db2.gz MIURZMJXJIMGND-LBPRGKRZSA-N 0 3 326.462 1.861 20 10 EDCDHN CN(C)CCCS(=O)(=O)NCc1ccc(N2CCCC2)cc1 ZINC000866484806 596892274 /nfs/dbraw/zinc/89/22/74/596892274.db2.gz DZDXOLPEUYBZHO-UHFFFAOYSA-N 0 3 325.478 1.658 20 10 EDCDHN O=C1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)CCCCCCN1 ZINC000872667553 597022573 /nfs/dbraw/zinc/02/25/73/597022573.db2.gz JTPQFAYSDDLFBQ-MRXNPFEDSA-N 0 3 334.416 1.700 20 10 EDCDHN O=C1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)CCCCCCN1 ZINC000872667553 597022575 /nfs/dbraw/zinc/02/25/75/597022575.db2.gz JTPQFAYSDDLFBQ-MRXNPFEDSA-N 0 3 334.416 1.700 20 10 EDCDHN COc1ccc(CNCCN2CCO[C@H](C)C2)cc1Cn1cccn1 ZINC000873044343 597169812 /nfs/dbraw/zinc/16/98/12/597169812.db2.gz KONYZHHIQSKONA-MRXNPFEDSA-N 0 3 344.459 1.750 20 10 EDCDHN COc1ccc(CN[C@H]2CCCN(C)C2=O)cc1Cn1cccn1 ZINC000873072162 597180882 /nfs/dbraw/zinc/18/08/82/597180882.db2.gz UXVGYJYYLVILFC-INIZCTEOSA-N 0 3 328.416 1.650 20 10 EDCDHN Cc1ccc(O)c(CNC(=O)NC2CCN(CCN(C)C)CC2)c1 ZINC000875057307 597264271 /nfs/dbraw/zinc/26/42/71/597264271.db2.gz SBAWLPADSXMEBK-UHFFFAOYSA-N 0 3 334.464 1.526 20 10 EDCDHN CO[C@@]1(CO)CCCN(Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877624372 597542314 /nfs/dbraw/zinc/54/23/14/597542314.db2.gz OJPWGIRIKBFKSP-IBGZPJMESA-N 0 3 334.460 1.621 20 10 EDCDHN CC(C)[C@@H](N)c1cn(CC(=O)N(C)Cc2ccc(N(C)C)cc2)nn1 ZINC000881083858 598069503 /nfs/dbraw/zinc/06/95/03/598069503.db2.gz KNAHGACLEQPIFG-GOSISDBHSA-N 0 3 344.463 1.659 20 10 EDCDHN COc1ccc(CNS(=O)(=O)C[C@@]23CCN(C2)CCC3)c(O)c1 ZINC000915165061 695754515 /nfs/dbraw/zinc/75/45/15/695754515.db2.gz RFVSWKNDABYJAJ-INIZCTEOSA-N 0 3 340.445 1.306 20 10 EDCDHN CN(C)[C@@H]1CCN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)C1 ZINC000108807045 237101342 /nfs/dbraw/zinc/10/13/42/237101342.db2.gz YNCUJGQUUOLIGV-KRZKXXONSA-N 0 3 329.444 1.699 20 10 EDCDHN CCOc1cccc(CN2CCC(S(=O)(=O)NC)CC2)c1O ZINC000372399268 250220067 /nfs/dbraw/zinc/22/00/67/250220067.db2.gz GFJNOUHJYNHAOE-UHFFFAOYSA-N 0 3 328.434 1.305 20 10 EDCDHN CCC[NH+]1CCC(N2CCN(C(=O)c3cccc(O)c3[O-])CC2)CC1 ZINC000370499590 250207000 /nfs/dbraw/zinc/20/70/00/250207000.db2.gz MZSKPQPNCOXHNZ-UHFFFAOYSA-N 0 3 347.459 1.730 20 10 EDCDHN COC(=O)c1cn([C@@H]2CCCN(Cc3cccc(OC)c3O)C2)nn1 ZINC000375178167 250279287 /nfs/dbraw/zinc/27/92/87/250279287.db2.gz STCJIJNVAGAOOA-CYBMUJFWSA-N 0 3 346.387 1.616 20 10 EDCDHN O=C1CC2(CN1)CCN(Cc1ccc(N3CCOCC3)cc1)CC2 ZINC000378331549 447419163 /nfs/dbraw/zinc/41/91/63/447419163.db2.gz FBJHWEPTYVAPOD-UHFFFAOYSA-N 0 3 329.444 1.625 20 10 EDCDHN Cc1cccc(CN2CCN(C[C@@H]3CN(C)CCO3)C[C@@H]2C)c1O ZINC000378436739 447427809 /nfs/dbraw/zinc/42/78/09/447427809.db2.gz DBNDUSKVAANUHR-WMZOPIPTSA-N 0 3 333.476 1.537 20 10 EDCDHN CCc1nc(CN2C[C@@H]3C[NH+](Cc4ccccc4[O-])C[C@H]3C2)no1 ZINC000378500339 447436003 /nfs/dbraw/zinc/43/60/03/447436003.db2.gz UEJBXXBXCOSUDY-GJZGRUSLSA-N 0 3 328.416 1.901 20 10 EDCDHN O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CCCN1C1CCOCC1 ZINC000122206782 441839065 /nfs/dbraw/zinc/83/90/65/441839065.db2.gz XXYWVYMLAAZXTL-HNNXBMFYSA-N 0 3 334.416 1.400 20 10 EDCDHN C[C@@H]([NH2+]CCOCCS(C)(=O)=O)c1cc2c(cc1[O-])CCCC2 ZINC000186077887 442458183 /nfs/dbraw/zinc/45/81/83/442458183.db2.gz YIQRHRYJOZSCNL-CYBMUJFWSA-N 0 3 341.473 1.983 20 10 EDCDHN Cn1cc(C(=O)NCC2CC[NH+](Cc3cc(F)ccc3[O-])CC2)cn1 ZINC000180025521 442530504 /nfs/dbraw/zinc/53/05/04/442530504.db2.gz PNWBFBNLJXBSQR-UHFFFAOYSA-N 0 3 346.406 1.907 20 10 EDCDHN COc1ccc(O)c([C@H](C)N[C@@H]2CCCN(c3cnn(C)c3)C2=O)c1 ZINC000182466144 442771100 /nfs/dbraw/zinc/77/11/00/442771100.db2.gz JZQVQWRVKISSOE-BLLLJJGKSA-N 0 3 344.415 1.981 20 10 EDCDHN C[C@H](NC[C@H]1CCS(=O)(=O)C1)c1ccc(N2CCOCC2)cc1 ZINC000268776846 443105095 /nfs/dbraw/zinc/10/50/95/443105095.db2.gz WDNCMHWFYFWBJH-LSDHHAIUSA-N 0 3 338.473 1.609 20 10 EDCDHN CCOc1cccc(C[NH2+]CCCN(CC)S(C)(=O)=O)c1[O-] ZINC000236882742 443151263 /nfs/dbraw/zinc/15/12/63/443151263.db2.gz NPYROTQPJYTJLW-UHFFFAOYSA-N 0 3 330.450 1.552 20 10 EDCDHN COc1cc([O-])c(C[NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)cc1OC ZINC000284284021 443771755 /nfs/dbraw/zinc/77/17/55/443771755.db2.gz ATHTUWDNLDYQLJ-MLGOLLRUSA-N 0 3 327.421 1.657 20 10 EDCDHN CN(C)c1ccc(CN(Cc2cc(=O)n(C)c(=O)n2C)C2CC2)cc1 ZINC000298737519 443854327 /nfs/dbraw/zinc/85/43/27/443854327.db2.gz VQBWAXIZXOIRAM-UHFFFAOYSA-N 0 3 342.443 1.315 20 10 EDCDHN CCOc1ccc([O-])c(C[NH2+]C2CCC3(CC2)NC(=O)NC3=O)c1 ZINC000285611464 444048241 /nfs/dbraw/zinc/04/82/41/444048241.db2.gz XJDACWWLCONHQW-UHFFFAOYSA-N 0 3 333.388 1.401 20 10 EDCDHN COc1ccc(N2CCN(CCNCc3conc3C)CC2)cc1 ZINC000293462373 444024775 /nfs/dbraw/zinc/02/47/75/444024775.db2.gz DFKRUOWYKABXJO-UHFFFAOYSA-N 0 3 330.432 1.903 20 10 EDCDHN CC(C)[C@H](CNC(=O)NCc1ccccc1O)N1CCN(C)CC1 ZINC000299478424 444057758 /nfs/dbraw/zinc/05/77/58/444057758.db2.gz GIFXGMPWLHOOHU-INIZCTEOSA-N 0 3 334.464 1.463 20 10 EDCDHN O=C(NC[C@@H](O)CN1CCc2ccccc2C1)c1cccc(O)c1O ZINC000294030310 444099929 /nfs/dbraw/zinc/09/99/29/444099929.db2.gz FPWXDLXCJOMCAJ-OAHLLOKOSA-N 0 3 342.395 1.247 20 10 EDCDHN CN(C)c1ccc(CN(C)C(=O)C(=O)N2CCC[C@H](N(C)C)C2)cc1 ZINC000297756817 444329474 /nfs/dbraw/zinc/32/94/74/444329474.db2.gz HJAIZFQDLLEZKN-KRWDZBQOSA-N 0 3 346.475 1.264 20 10 EDCDHN COc1cccc(CNC(=O)NC[C@H]2CN3CCC[C@H]3CO2)c1O ZINC000369856511 446161543 /nfs/dbraw/zinc/16/15/43/446161543.db2.gz CGMJCBJKOIEXCY-KBPBESRZSA-N 0 3 335.404 1.063 20 10 EDCDHN Cn1cc([C@H]2[C@H](C[NH2+]Cc3cc(F)ccc3[O-])CC(=O)N2C)cn1 ZINC000370616450 446358903 /nfs/dbraw/zinc/35/89/03/446358903.db2.gz AOLDVTKHDUTZAT-YVEFUNNKSA-N 0 3 332.379 1.574 20 10 EDCDHN COCCn1c(C)c(C)c2cc(C(=O)N[C@H](CO)CN(C)C)ccc21 ZINC000673520391 487045069 /nfs/dbraw/zinc/04/50/69/487045069.db2.gz DXLCRDMXWBFDRJ-INIZCTEOSA-N 0 3 347.459 1.557 20 10 EDCDHN C[C@@H](CO)N(CC(=O)NCc1ccc(N(C)C)cc1)CC1CCC1 ZINC000298512924 524788212 /nfs/dbraw/zinc/78/82/12/524788212.db2.gz KRWHJYHFJSURER-HNNXBMFYSA-N 0 3 333.476 1.852 20 10 EDCDHN CCN(CC)CC(=O)N1CCN(Cc2cc(C)c(C)cc2O)CC1 ZINC000103461772 528084178 /nfs/dbraw/zinc/08/41/78/528084178.db2.gz KWLZMAUUONWLNZ-UHFFFAOYSA-N 0 3 333.476 1.995 20 10 EDCDHN C[C@@H]1C[C@H](NC(=O)NCc2ccc(N3CCOCC3)cc2)CCN1C ZINC000745750643 579561251 /nfs/dbraw/zinc/56/12/51/579561251.db2.gz UIARCLLEAOEIMM-NVXWUHKLSA-N 0 3 346.475 1.805 20 10 EDCDHN C[C@@H]1C[C@@H](NC(=O)NCc2ccc(N3CCOCC3)cc2)CCN1C ZINC000745750645 579561276 /nfs/dbraw/zinc/56/12/76/579561276.db2.gz UIARCLLEAOEIMM-WBVHZDCISA-N 0 3 346.475 1.805 20 10 EDCDHN C[C@@H](NC(=O)N(C)CCN(C)C)c1ccc(N2CCOCC2)cc1 ZINC000747579256 579649648 /nfs/dbraw/zinc/64/96/48/579649648.db2.gz BXOXCSNDDZAZBO-OAHLLOKOSA-N 0 3 334.464 1.787 20 10 EDCDHN CN(C)Cc1cccc(NC(=O)C(=O)NCc2ccccc2O)c1 ZINC000748482158 579689519 /nfs/dbraw/zinc/68/95/19/579689519.db2.gz QQZKWSXXHDVPOR-UHFFFAOYSA-N 0 3 327.384 1.709 20 10 EDCDHN COc1cc(O)c(CNC[C@@H]2CCCCS2(=O)=O)cc1OC ZINC000753568787 579882921 /nfs/dbraw/zinc/88/29/21/579882921.db2.gz SVBWFMSRCXRQPE-LBPRGKRZSA-N 0 3 329.418 1.466 20 10 EDCDHN Cc1cc(Br)cc(C[NH2+]C[C@@]2(O)CCN(C)C2)c1[O-] ZINC000762792020 580083447 /nfs/dbraw/zinc/08/34/47/580083447.db2.gz ZELRSMLPTYKGAK-AWEZNQCLSA-N 0 3 329.238 1.619 20 10 EDCDHN CNC(=O)[C@H]1CCC[C@H]1NCc1ccc(N2CCOCC2)c(F)c1 ZINC000765796075 580151534 /nfs/dbraw/zinc/15/15/34/580151534.db2.gz MMBMMZJGTXIFBO-GOEBONIOSA-N 0 3 335.423 1.667 20 10 EDCDHN C[C@@H](N[C@@H](C)C(=O)N1CCC[C@H](C(N)=O)C1)c1ccc(N(C)C)cc1 ZINC000774483887 580363296 /nfs/dbraw/zinc/36/32/96/580363296.db2.gz MJPKAVVEJOHREN-YCPHGPKFSA-N 0 3 346.475 1.516 20 10 EDCDHN CCOCCN1CCN(Cc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC000775647894 580396210 /nfs/dbraw/zinc/39/62/10/580396210.db2.gz GSXLNCAJYPJQGB-UHFFFAOYSA-N 0 3 346.519 1.593 20 10 EDCDHN CC(=O)N(C)C1CCN(Cc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC000775664916 580396701 /nfs/dbraw/zinc/39/67/01/580396701.db2.gz REAAOTHIVWBZHQ-UHFFFAOYSA-N 0 3 344.503 1.881 20 10 EDCDHN COC[C@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2)C[C@@H](C)O1 ZINC000784668630 580625857 /nfs/dbraw/zinc/62/58/57/580625857.db2.gz SFKUEZGISDHFKP-VQIMIIECSA-N 0 3 333.476 1.674 20 10 EDCDHN CN1CCN(c2ccc(CN3C[C@@H]4CCC[C@H]4[C@H]3C(N)=O)cc2)CC1 ZINC000787423446 580695137 /nfs/dbraw/zinc/69/51/37/580695137.db2.gz NEOKVHKLRSNUFT-UHOSZYNNSA-N 0 3 342.487 1.524 20 10 EDCDHN COc1ccc(N2CCN(C[C@H](O)CN3[C@H](C)C[C@@H]3C)CC2)cc1 ZINC000791567308 580795646 /nfs/dbraw/zinc/79/56/46/580795646.db2.gz JJPWVWLWELRDGQ-JZXOWHBKSA-N 0 3 333.476 1.661 20 10 EDCDHN C[C@H](NC(=O)C(=O)NCCN(C)C1CC1)c1ccc(N(C)C)cc1 ZINC000793939577 580861229 /nfs/dbraw/zinc/86/12/29/580861229.db2.gz WXWPJNGBHDGOFT-ZDUSSCGKSA-N 0 3 332.448 1.140 20 10 EDCDHN COC[C@](C)(CC(=O)OC)NCc1ccc(OC)c(OC)c1O ZINC000893557929 590959097 /nfs/dbraw/zinc/95/90/97/590959097.db2.gz IUQOATKWBISYPD-INIZCTEOSA-N 0 3 327.377 1.467 20 10 EDCDHN Cc1ncc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c(N)n1 ZINC000891246827 591015661 /nfs/dbraw/zinc/01/56/61/591015661.db2.gz PYKNPXOTCHWYRA-INIZCTEOSA-N 0 3 342.447 1.466 20 10 EDCDHN CCn1nncc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891246965 591016660 /nfs/dbraw/zinc/01/66/60/591016660.db2.gz FWCKHSMPQBUWPB-HNNXBMFYSA-N 0 3 330.436 1.397 20 10 EDCDHN Cc1ccnc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)n1 ZINC000891248346 591017170 /nfs/dbraw/zinc/01/71/70/591017170.db2.gz KWFSYIWTFWJNFI-MRXNPFEDSA-N 0 3 327.432 1.884 20 10 EDCDHN CCN1CCOC[C@H]1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891249344 591017711 /nfs/dbraw/zinc/01/77/11/591017711.db2.gz REYHDLPDGKKYRF-ROUUACIJSA-N 0 3 348.491 1.192 20 10 EDCDHN CC[C@]1(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CCNC1=O ZINC000891248205 591017717 /nfs/dbraw/zinc/01/77/17/591017717.db2.gz WWYDTEZOUKRLET-LPHOPBHVSA-N 0 3 346.475 1.388 20 10 EDCDHN CSCC[C@@H](O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891249370 591017824 /nfs/dbraw/zinc/01/78/24/591017824.db2.gz RSVOWVLENPXPAJ-HZPDHXFCSA-N 0 3 339.505 1.586 20 10 EDCDHN CCN(CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C1CC1 ZINC000891252333 591020729 /nfs/dbraw/zinc/02/07/29/591020729.db2.gz JNOAHHPHKMKACP-SFHVURJKSA-N 0 3 332.492 1.956 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)CN2CCCC2=O)N(C)C)cc1 ZINC000891256551 591022565 /nfs/dbraw/zinc/02/25/65/591022565.db2.gz ZOQZRQYOHCQJFT-MRXNPFEDSA-N 0 3 332.448 1.094 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)c2ccc(=O)n(C)c2)N(C)C)cc1 ZINC000891255778 591022920 /nfs/dbraw/zinc/02/29/20/591022920.db2.gz RWMFHQUMMNQPJP-QGZVFWFLSA-N 0 3 342.443 1.484 20 10 EDCDHN COc1cc(C)cc(C[NH2+]C[C@H]2CCC[C@@H]2NS(C)(=O)=O)c1[O-] ZINC000894396406 591301336 /nfs/dbraw/zinc/30/13/36/591301336.db2.gz KICIKGXEYBTRTM-OCCSQVGLSA-N 0 3 342.461 1.517 20 10 EDCDHN CN(C)c1ccc([C@H](CNC2CC(S(C)(=O)=O)C2)N(C)C)cc1 ZINC000898448770 591352982 /nfs/dbraw/zinc/35/29/82/591352982.db2.gz WXRKBYCGHVYECM-PREGVCBESA-N 0 3 339.505 1.521 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)NCC[C@H](O)C2CC2)N(C)C)cc1 ZINC000899095432 591677454 /nfs/dbraw/zinc/67/74/54/591677454.db2.gz KJVMUZHQRDGHMZ-ROUUACIJSA-N 0 3 348.491 1.816 20 10 EDCDHN C[C@@H]1[C@H](O)CCCN1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899097732 591678236 /nfs/dbraw/zinc/67/82/36/591678236.db2.gz GBKAYPAWMQIGRJ-ZTFGCOKTSA-N 0 3 348.491 1.910 20 10 EDCDHN CCOC(=O)N1C[C@@H](CO)[C@@H](NCc2cc(C)cc(OC)c2O)C1 ZINC000898349247 591881924 /nfs/dbraw/zinc/88/19/24/591881924.db2.gz XYCOXKSIFOVSLK-KBPBESRZSA-N 0 3 338.404 1.248 20 10 EDCDHN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CC[C@@H]2CC[C@@]21CN ZINC000911123794 592929419 /nfs/dbraw/zinc/92/94/19/592929419.db2.gz KBLLEKVJIPPNTB-HNAYVOBHSA-N 0 3 344.459 1.017 20 10 EDCDHN Cc1occc(=O)c1OCC(=O)NC[C@H](N)c1ccc(N(C)C)cc1 ZINC000911668206 592974520 /nfs/dbraw/zinc/97/45/20/592974520.db2.gz WHFPWPNYKYWBGK-HNNXBMFYSA-N 0 3 345.399 1.209 20 10 EDCDHN CC(C)(C[C@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1)C(N)=O ZINC000840109461 593190549 /nfs/dbraw/zinc/19/05/49/593190549.db2.gz OVECOOZPBYXKRL-WBMJQRKESA-N 0 3 348.443 1.932 20 10 EDCDHN CC(C)(C[C@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1)C(N)=O ZINC000840109461 593190551 /nfs/dbraw/zinc/19/05/51/593190551.db2.gz OVECOOZPBYXKRL-WBMJQRKESA-N 0 3 348.443 1.932 20 10 EDCDHN Cc1cc([O-])c(C[NH2+]CC2(N3CCOCC3)CCOCC2)cc1C ZINC000839165849 593269806 /nfs/dbraw/zinc/26/98/06/593269806.db2.gz RSVQBWMLSZPGME-UHFFFAOYSA-N 0 3 334.460 1.980 20 10 EDCDHN COc1cc(Br)cc(C[NH2+]C[C@H]2CCCNC2=O)c1[O-] ZINC000839195436 593275350 /nfs/dbraw/zinc/27/53/50/593275350.db2.gz JFRIGEPTRHXGBJ-SECBINFHSA-N 0 3 343.221 1.779 20 10 EDCDHN CN(C)c1ccc(CNC(=O)CN[C@@H](CO)C2CCCCC2)cc1 ZINC000839547170 593338204 /nfs/dbraw/zinc/33/82/04/593338204.db2.gz DNDHZKONXWBRGS-SFHVURJKSA-N 0 3 333.476 1.900 20 10 EDCDHN CN(C)c1ccc(CNC(=O)CN[C@H](C2CC2)C(C)(C)CO)cc1 ZINC000839609305 593356618 /nfs/dbraw/zinc/35/66/18/593356618.db2.gz JFIMRKGCZKTMCZ-GOSISDBHSA-N 0 3 333.476 1.756 20 10 EDCDHN CC(C(=O)N[C@H](C)c1ccccc1O)S(=O)(=O)C1CCOCC1 ZINC000827937441 594306802 /nfs/dbraw/zinc/30/68/02/594306802.db2.gz WVCBNXKRWVKJGL-VXGBXAGGSA-N 0 3 341.429 1.552 20 10 EDCDHN COc1ccc(N2CCN(C[C@@H]3CCNC(=O)CC3)CC2)cc1F ZINC000828031933 594326383 /nfs/dbraw/zinc/32/63/83/594326383.db2.gz RFOVMTBMUNRHKR-AWEZNQCLSA-N 0 3 335.423 1.873 20 10 EDCDHN O=C(CCOC1CNC1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000829003501 594546710 /nfs/dbraw/zinc/54/67/10/594546710.db2.gz OSXLQZOLFYIJTL-HNNXBMFYSA-N 0 3 334.416 1.278 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)c2cnn3c2CCCC3)cc1 ZINC000832267403 594739047 /nfs/dbraw/zinc/73/90/47/594739047.db2.gz RPCNDFQLSQZNTF-INIZCTEOSA-N 0 3 327.432 1.715 20 10 EDCDHN Cc1cc([O-])c(C[NH2+]CCC(=O)N2CCN(C)CC2)c(Cl)c1 ZINC000840888576 594823607 /nfs/dbraw/zinc/82/36/07/594823607.db2.gz AZJGSKHLPZSZQF-UHFFFAOYSA-N 0 3 325.840 1.608 20 10 EDCDHN COc1cc([O-])c(C[N@H+](C)C(C)(C)CN2CCOCC2)cc1OC ZINC000840978699 594834846 /nfs/dbraw/zinc/83/48/46/594834846.db2.gz VBSVTLFIOWDILH-UHFFFAOYSA-N 0 3 338.448 1.952 20 10 EDCDHN COc1cc([O-])c(C[N@@H+](C)C(C)(C)CN2CCOCC2)cc1OC ZINC000840978699 594834847 /nfs/dbraw/zinc/83/48/47/594834847.db2.gz VBSVTLFIOWDILH-UHFFFAOYSA-N 0 3 338.448 1.952 20 10 EDCDHN CN(C)c1ccc(CNC(=O)NC[C@H]2CCCN2CCCO)cc1 ZINC000836222714 594940048 /nfs/dbraw/zinc/94/00/48/594940048.db2.gz FQDWKFOSPWLGNU-QGZVFWFLSA-N 0 3 334.464 1.399 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)[C@@H](N)Cc2ccccc2)cc1 ZINC000841846788 594964264 /nfs/dbraw/zinc/96/42/64/594964264.db2.gz UZYMYBKDHKHRJA-ROUUACIJSA-N 0 3 326.444 1.439 20 10 EDCDHN CC[NH2+][C@H](C)CNC(=O)NCc1cc(Br)ccc1[O-] ZINC000841984742 594995430 /nfs/dbraw/zinc/99/54/30/594995430.db2.gz HBBYFDRZUBGAQQ-SECBINFHSA-N 0 3 330.226 1.952 20 10 EDCDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCCc1ccc(N)cc1 ZINC000842053092 595010614 /nfs/dbraw/zinc/01/06/14/595010614.db2.gz IFSYOYFBIHLPEK-CABCVRRESA-N 0 3 346.475 1.164 20 10 EDCDHN C[C@H](CN)NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000842213234 595041100 /nfs/dbraw/zinc/04/11/00/595041100.db2.gz CTSQWFXXYOLEIF-CQSZACIVSA-N 0 3 332.448 1.003 20 10 EDCDHN CC(C)C[C@@H](CN)NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000842250042 595055291 /nfs/dbraw/zinc/05/52/91/595055291.db2.gz RSZQJEVNAIQIME-HNNXBMFYSA-N 0 3 334.464 1.201 20 10 EDCDHN COc1ccc(O)c(CNC[C@H]2CS(=O)(=O)c3ccccc3O2)c1 ZINC000843417550 595105752 /nfs/dbraw/zinc/10/57/52/595105752.db2.gz HWKHPSLWQFCPIG-AWEZNQCLSA-N 0 3 349.408 1.725 20 10 EDCDHN CO[C@H](CS(=O)(=O)NC[C@H](N)c1ccc(N(C)C)cc1)C1CC1 ZINC000842785000 595197490 /nfs/dbraw/zinc/19/74/90/595197490.db2.gz JWRXGEUHGJQUDJ-JKSUJKDBSA-N 0 3 341.477 1.097 20 10 EDCDHN CN1CCN(c2ccc(CN[C@@H]3C[C@H]4CCCCN4C3=O)cc2)CC1 ZINC000835074687 595257222 /nfs/dbraw/zinc/25/72/22/595257222.db2.gz SQDOWBNPSAGYPP-RTBURBONSA-N 0 3 342.487 1.681 20 10 EDCDHN O=C([C@H]1CCC[N@@H+](Cc2c([O-])cccc2Cl)C1)N1CCNCC1 ZINC000843047541 595273051 /nfs/dbraw/zinc/27/30/51/595273051.db2.gz VLXPTKPFIXSIBC-ZDUSSCGKSA-N 0 3 337.851 1.689 20 10 EDCDHN O=C([C@H]1CCC[N@H+](Cc2c([O-])cccc2Cl)C1)N1CCNCC1 ZINC000843047541 595273052 /nfs/dbraw/zinc/27/30/52/595273052.db2.gz VLXPTKPFIXSIBC-ZDUSSCGKSA-N 0 3 337.851 1.689 20 10 EDCDHN NC[C@@H](NC(=O)NCCCSc1nccs1)C(F)(F)F ZINC000848598350 595414872 /nfs/dbraw/zinc/41/48/72/595414872.db2.gz YNZKBWBAMJWXSQ-SSDOTTSWSA-N 0 3 328.385 1.814 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)c2c(C3CC3)cnn2C)cc1 ZINC000852792346 595544966 /nfs/dbraw/zinc/54/49/66/595544966.db2.gz WBYFQKBFXIQUCM-INIZCTEOSA-N 0 3 327.432 1.793 20 10 EDCDHN COc1cc(Br)cc(C[NH2+]C[C@H]2COCCN2C)c1[O-] ZINC000858275851 595749762 /nfs/dbraw/zinc/74/97/62/595749762.db2.gz GCKKGVLTVOYNKE-LBPRGKRZSA-N 0 3 345.237 1.584 20 10 EDCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@H]1CCN(c3ccc4nncn4n3)C1)CC2 ZINC000858490200 595808950 /nfs/dbraw/zinc/80/89/50/595808950.db2.gz VNGHISWVJGCGGA-KBPBESRZSA-N 0 3 336.399 1.686 20 10 EDCDHN O=C1CCCN1C[C@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000853593186 595820361 /nfs/dbraw/zinc/82/03/61/595820361.db2.gz KKYJIGUNOYECRU-LRDDRELGSA-N 0 3 332.400 1.262 20 10 EDCDHN O=C1CCCN1C[C@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000853593186 595820363 /nfs/dbraw/zinc/82/03/63/595820363.db2.gz KKYJIGUNOYECRU-LRDDRELGSA-N 0 3 332.400 1.262 20 10 EDCDHN C[C@H](Cn1cncn1)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000850424675 595831909 /nfs/dbraw/zinc/83/19/09/595831909.db2.gz GOZGEZIBSLWNMU-ZBFHGGJFSA-N 0 3 342.447 1.158 20 10 EDCDHN COc1ccc(O)c([C@@H](C)NC[C@](O)(C(N)=O)c2ccccc2)c1 ZINC000851903677 595969294 /nfs/dbraw/zinc/96/92/94/595969294.db2.gz YUQGJJGIIAVABD-KZULUSFZSA-N 0 3 330.384 1.425 20 10 EDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@](O)(C(N)=O)c2ccccc2)c1 ZINC000851903677 595969297 /nfs/dbraw/zinc/96/92/97/595969297.db2.gz YUQGJJGIIAVABD-KZULUSFZSA-N 0 3 330.384 1.425 20 10 EDCDHN CCCN1CC[C@H](NC(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000852003747 596003845 /nfs/dbraw/zinc/00/38/45/596003845.db2.gz AUTFMBIXEGOAQJ-KRWDZBQOSA-N 0 3 346.475 1.807 20 10 EDCDHN COc1ccc([O-])c(C[NH2+]C[C@H]2CN(Cc3ccncc3)CCO2)c1 ZINC000862535980 596341868 /nfs/dbraw/zinc/34/18/68/596341868.db2.gz BKFSKJIZHVZXFV-SFHVURJKSA-N 0 3 343.427 1.786 20 10 EDCDHN COC(=O)c1cn([C@@H]2CCC[N@H+](Cc3ccc(C)cc3[O-])C2)nn1 ZINC000877363768 597501909 /nfs/dbraw/zinc/50/19/09/597501909.db2.gz HPPDHIXGIRZEIY-CQSZACIVSA-N 0 3 330.388 1.916 20 10 EDCDHN COC(=O)c1cn([C@@H]2CCC[N@@H+](Cc3ccc(C)cc3[O-])C2)nn1 ZINC000877363768 597501910 /nfs/dbraw/zinc/50/19/10/597501910.db2.gz HPPDHIXGIRZEIY-CQSZACIVSA-N 0 3 330.388 1.916 20 10 EDCDHN O=C1[C@H](NCc2ccc(N3CCC(O)CC3)cc2)C[C@H]2CCCCN12 ZINC000877579219 597537912 /nfs/dbraw/zinc/53/79/12/597537912.db2.gz OSTDTPYCYQHRAB-IEBWSBKVSA-N 0 3 343.471 1.891 20 10 EDCDHN COC(=O)N(C)CCN(C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877631150 597542960 /nfs/dbraw/zinc/54/29/60/597542960.db2.gz GIYVIZSQOYSZCT-UHFFFAOYSA-N 0 3 335.448 1.778 20 10 EDCDHN C[C@@H]1C[C@H]([NH2+]CCN(C)CCOCCO)c2c1c(F)ccc2[O-] ZINC000883350520 597722787 /nfs/dbraw/zinc/72/27/87/597722787.db2.gz IFWQZQYELJKFEP-OCCSQVGLSA-N 0 3 326.412 1.610 20 10 EDCDHN CCN1[C@H](C)CN(CC(=O)NCc2ccc(N(C)C)cc2)C[C@@H]1C ZINC000878837525 597730438 /nfs/dbraw/zinc/73/04/38/597730438.db2.gz ZFOSSZIRMPWUIL-IYBDPMFKSA-N 0 3 332.492 1.783 20 10 EDCDHN N[C@@H](CC1CC1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000884194295 598022523 /nfs/dbraw/zinc/02/25/23/598022523.db2.gz FQMKWUNTKOLWQT-INIZCTEOSA-N 0 3 335.423 1.530 20 10 EDCDHN COc1ccc(CNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c(O)c1 ZINC000373399080 250238192 /nfs/dbraw/zinc/23/81/92/250238192.db2.gz JOWUXEIFADMZNG-DZGCQCFKSA-N 0 3 335.404 1.063 20 10 EDCDHN CCCN(CC(=O)N1CCC2(CC1)OCCO2)Cc1ccccc1O ZINC000068973600 441875815 /nfs/dbraw/zinc/87/58/15/441875815.db2.gz HMIWRKWBVFZJCF-UHFFFAOYSA-N 0 3 348.443 1.970 20 10 EDCDHN CCC[N@H+](CCc1cn(CC(=O)OC)nn1)Cc1ccccc1[O-] ZINC000154156937 442324297 /nfs/dbraw/zinc/32/42/97/442324297.db2.gz OHOXDVMACUHRFG-UHFFFAOYSA-N 0 3 332.404 1.611 20 10 EDCDHN CCC[N@@H+](CCc1cn(CC(=O)OC)nn1)Cc1ccccc1[O-] ZINC000154156937 442324300 /nfs/dbraw/zinc/32/43/00/442324300.db2.gz OHOXDVMACUHRFG-UHFFFAOYSA-N 0 3 332.404 1.611 20 10 EDCDHN CN1CCC(O)(CNC(=O)NCc2ccc3c(c2)CCCN3C)CC1 ZINC000265938230 442976226 /nfs/dbraw/zinc/97/62/26/442976226.db2.gz KPJYWBJOUNBLEV-UHFFFAOYSA-N 0 3 346.475 1.325 20 10 EDCDHN COc1c([O-])c(C[NH2+]CCCN2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000278524445 443352867 /nfs/dbraw/zinc/35/28/67/443352867.db2.gz SUCUGCSUJPGVGM-UHFFFAOYSA-N 0 3 338.408 1.036 20 10 EDCDHN C[C@@H]1CN(CCCNC(=O)/C=C/c2ccc(O)c(O)c2)CCCO1 ZINC000278664464 443395131 /nfs/dbraw/zinc/39/51/31/443395131.db2.gz TUTABUXOLVYHQR-HZRUHFOJSA-N 0 3 334.416 1.728 20 10 EDCDHN [O-]c1cc2c(cc1C[NH2+]C[C@@H]1CCC3(CCOCC3)[C@H]1O)OCO2 ZINC000282843846 443448559 /nfs/dbraw/zinc/44/85/59/443448559.db2.gz OZDUOVJQHWXDRV-SJCJKPOMSA-N 0 3 335.400 1.778 20 10 EDCDHN CCN(CC)c1ccc(CNC(=O)C(=O)N2CC[C@H](N(C)C)C2)cc1 ZINC000283996351 443760432 /nfs/dbraw/zinc/76/04/32/443760432.db2.gz JRQJMBIXXSVGRO-KRWDZBQOSA-N 0 3 346.475 1.312 20 10 EDCDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)c([O-])c1 ZINC000285437178 443983686 /nfs/dbraw/zinc/98/36/86/443983686.db2.gz YXBDRLLNOPBMCM-KGLIPLIRSA-N 0 3 326.462 1.941 20 10 EDCDHN COCCOC1(C[NH2+]Cc2cc3c(cc2[O-])OCO3)CCOCC1 ZINC000294746286 444140254 /nfs/dbraw/zinc/14/02/54/444140254.db2.gz HSUBAHVWTANIJE-UHFFFAOYSA-N 0 3 339.388 1.423 20 10 EDCDHN Cc1cccc(C[NH2+]C[C@H]2CCCC[C@@H]2NS(C)(=O)=O)c1[O-] ZINC000289511053 444162118 /nfs/dbraw/zinc/16/21/18/444162118.db2.gz GTOPOFWPSHRTGT-HIFRSBDPSA-N 0 3 326.462 1.898 20 10 EDCDHN COC[C@]1(C(=O)OC)CC[N@H+](Cc2cc(OC)c(OC)cc2[O-])C1 ZINC000295009975 444163483 /nfs/dbraw/zinc/16/34/83/444163483.db2.gz JJEQZBNZPDAGPY-KRWDZBQOSA-N 0 3 339.388 1.421 20 10 EDCDHN COC[C@]1(C(=O)OC)CC[N@@H+](Cc2cc(OC)c(OC)cc2[O-])C1 ZINC000295009975 444163487 /nfs/dbraw/zinc/16/34/87/444163487.db2.gz JJEQZBNZPDAGPY-KRWDZBQOSA-N 0 3 339.388 1.421 20 10 EDCDHN COC[C@]1(C(=O)OC)CCN(Cc2cc(OC)c(OC)cc2O)C1 ZINC000295009975 444163489 /nfs/dbraw/zinc/16/34/89/444163489.db2.gz JJEQZBNZPDAGPY-KRWDZBQOSA-N 0 3 339.388 1.421 20 10 EDCDHN COC1CCN(c2ccc(CN3CCN(C[C@H](C)O)CC3)cc2)CC1 ZINC000295818639 444193206 /nfs/dbraw/zinc/19/32/06/444193206.db2.gz UYNUPBBSSQGNHL-KRWDZBQOSA-N 0 3 347.503 1.800 20 10 EDCDHN Cc1c([C@H]2[C@H](NCc3ccc4c(c3)CCO4)CC(=O)N2C)cnn1C ZINC000328645365 444412329 /nfs/dbraw/zinc/41/23/29/444412329.db2.gz ZPNCAYNKBHWILR-APWZRJJASA-N 0 3 340.427 1.725 20 10 EDCDHN c1ncn(C[C@@H]2CCCN2Cc2ccc(N3CCOCC3)cc2)n1 ZINC000359976474 445511395 /nfs/dbraw/zinc/51/13/95/445511395.db2.gz HPSPNLBKPRCDOA-SFHVURJKSA-N 0 3 327.432 1.779 20 10 EDCDHN COc1cccc(CNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c1O ZINC000369856513 446161325 /nfs/dbraw/zinc/16/13/25/446161325.db2.gz CGMJCBJKOIEXCY-KGLIPLIRSA-N 0 3 335.404 1.063 20 10 EDCDHN O=C1CCCN1CC1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000369771302 446154324 /nfs/dbraw/zinc/15/43/24/446154324.db2.gz VCHIORSJKAFRJU-UHFFFAOYSA-N 0 3 332.400 1.955 20 10 EDCDHN COc1ccc(CNC(=O)[C@H]2CCCN2C2CCOCC2)c(O)c1 ZINC000366549191 446257681 /nfs/dbraw/zinc/25/76/81/446257681.db2.gz VNHCTSLSCHUTRN-MRXNPFEDSA-N 0 3 334.416 1.660 20 10 EDCDHN COC(=O)c1cn([C@@H]2CCCN(Cc3ccc(N(C)C)cc3)C2)nn1 ZINC000372039524 446985309 /nfs/dbraw/zinc/98/53/09/446985309.db2.gz TYUZRASVBZFZMV-MRXNPFEDSA-N 0 3 343.431 1.968 20 10 EDCDHN CCCN(C)CC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000730280449 578639026 /nfs/dbraw/zinc/63/90/26/578639026.db2.gz ULLRQCDGWYDTPI-MRXNPFEDSA-N 0 3 346.475 1.346 20 10 EDCDHN NC(=O)[C@H]1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000768138816 580207756 /nfs/dbraw/zinc/20/77/56/580207756.db2.gz UUARQFSLZBBBHD-AWEZNQCLSA-N 0 3 332.404 1.892 20 10 EDCDHN CCCNC(=O)[C@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768446558 580213221 /nfs/dbraw/zinc/21/32/21/580213221.db2.gz YUMAPXAHGULKSX-BLLLJJGKSA-N 0 3 334.416 1.556 20 10 EDCDHN CCCNC(=O)[C@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768446558 580213222 /nfs/dbraw/zinc/21/32/22/580213222.db2.gz YUMAPXAHGULKSX-BLLLJJGKSA-N 0 3 334.416 1.556 20 10 EDCDHN COC(=O)CCC1CC[NH+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000768462705 580213789 /nfs/dbraw/zinc/21/37/89/580213789.db2.gz CBVDRGWUJJNARF-INIZCTEOSA-N 0 3 335.400 1.983 20 10 EDCDHN COCCN1CC[C@@H](NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000773315275 580333790 /nfs/dbraw/zinc/33/37/90/580333790.db2.gz PIPVCVFGQDUFSW-GOEBONIOSA-N 0 3 334.464 1.834 20 10 EDCDHN CCN(CC)CCNC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000774436199 580362098 /nfs/dbraw/zinc/36/20/98/580362098.db2.gz NRRMOFJMMAQINX-AWEZNQCLSA-N 0 3 334.464 1.388 20 10 EDCDHN COc1ccc(O)c([C@H](C)N[C@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)c1 ZINC000775372462 580389492 /nfs/dbraw/zinc/38/94/92/580389492.db2.gz BQSKRRLCZBYRRB-YNEHKIRRSA-N 0 3 349.431 1.164 20 10 EDCDHN CN(CC(=O)N1CCCC1)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775644871 580396031 /nfs/dbraw/zinc/39/60/31/580396031.db2.gz SQKKPCZHONHQHB-UHFFFAOYSA-N 0 3 330.476 1.493 20 10 EDCDHN CCO[C@@H]1COCC[C@H]1NCC(=O)NCc1ccc(N(C)C)cc1 ZINC000776485984 580418357 /nfs/dbraw/zinc/41/83/57/580418357.db2.gz BYFIMFWOHRKGCA-IAGOWNOFSA-N 0 3 335.448 1.152 20 10 EDCDHN [O-]c1cc2c(cc1C[NH+]1CCC(OC[C@H]3CCOC3)CC1)[C@@H](O)CO2 ZINC000784001989 580611501 /nfs/dbraw/zinc/61/15/01/580611501.db2.gz RRNNLCNXDRBBLJ-UGSOOPFHSA-N 0 3 349.427 1.836 20 10 EDCDHN COC[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCCO1 ZINC000788534652 580723921 /nfs/dbraw/zinc/72/39/21/580723921.db2.gz HRJBWNNAVVSARQ-AEFFLSMTSA-N 0 3 338.423 1.946 20 10 EDCDHN COCCN1CCC[C@@H]1CNC(=O)NCc1ccc(OC)cc1O ZINC000792950068 580831706 /nfs/dbraw/zinc/83/17/06/580831706.db2.gz GRVOEQGOCNPKEZ-CQSZACIVSA-N 0 3 337.420 1.311 20 10 EDCDHN C[C@H](NCc1ccc(N2CCN(C)CC2)cc1)C(=O)N1CCCC1 ZINC000798501796 580999337 /nfs/dbraw/zinc/99/93/37/580999337.db2.gz OJUMZNAEIPJJBY-INIZCTEOSA-N 0 3 330.476 1.539 20 10 EDCDHN C[C@@H]1OCCO[C@@H]1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891242422 591013350 /nfs/dbraw/zinc/01/33/50/591013350.db2.gz GHBYRRSTYUPUCZ-JQFCIGGWSA-N 0 3 335.448 1.275 20 10 EDCDHN CC[C@H](NC(C)=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891245775 591014691 /nfs/dbraw/zinc/01/46/91/591014691.db2.gz IZPPCGRPJFGXRM-DLBZAZTESA-N 0 3 334.464 1.386 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)/C=C\Cn2cncn2)N(C)C)cc1 ZINC000891245955 591015756 /nfs/dbraw/zinc/01/57/56/591015756.db2.gz KPOBXKFBBXGIOH-OSJSJHBBSA-N 0 3 342.447 1.319 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)CCc2ccncn2)N(C)C)cc1 ZINC000891247439 591016769 /nfs/dbraw/zinc/01/67/69/591016769.db2.gz HIVVVDYHNZTOFN-SFHVURJKSA-N 0 3 341.459 1.894 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)C2(N(C)C)CCC2)N(C)C)cc1 ZINC000891248449 591017136 /nfs/dbraw/zinc/01/71/36/591017136.db2.gz LVPLGKKAUCMDCE-QGZVFWFLSA-N 0 3 332.492 1.956 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)CCc2cnn(C)n2)N(C)C)cc1 ZINC000891249546 591017965 /nfs/dbraw/zinc/01/79/65/591017965.db2.gz RMWQDGCBGVBNNN-KRWDZBQOSA-N 0 3 344.463 1.233 20 10 EDCDHN COc1cncc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)n1 ZINC000891250052 591018834 /nfs/dbraw/zinc/01/88/34/591018834.db2.gz YMQXTDAMEDNVPR-INIZCTEOSA-N 0 3 343.431 1.584 20 10 EDCDHN COc1ccc(CN2CCN(CC(C)(C)O)[C@H](C)C2)c(O)c1OC ZINC000893877354 591126537 /nfs/dbraw/zinc/12/65/37/591126537.db2.gz HHSMYWQCVARQQZ-CYBMUJFWSA-N 0 3 338.448 1.686 20 10 EDCDHN COc1cccc(CNC(=O)NC[C@@H]2Cc3ccccc3CN2)c1O ZINC000892805311 591187649 /nfs/dbraw/zinc/18/76/49/591187649.db2.gz RKTXCPSPKITKIU-INIZCTEOSA-N 0 3 341.411 1.915 20 10 EDCDHN CCN(CC)c1ccc(CN2CCC(O)(COCCO)CC2)cc1 ZINC000895827331 591278366 /nfs/dbraw/zinc/27/83/66/591278366.db2.gz NRSABTREWAFFOH-UHFFFAOYSA-N 0 3 336.476 1.869 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)NCc2cn(C)cn2)N(C)C)cc1 ZINC000898612159 591438916 /nfs/dbraw/zinc/43/89/16/591438916.db2.gz GXHWZXNPOXBMIC-QGZVFWFLSA-N 0 3 344.463 1.588 20 10 EDCDHN C[C@H](NCc1ccc(N2CCN(C)CC2)cc1)C1N=NC(=O)N1C ZINC000895176827 591642205 /nfs/dbraw/zinc/64/22/05/591642205.db2.gz PCCBLXLVFGIEQQ-ZDUSSCGKSA-N 0 3 330.436 1.123 20 10 EDCDHN CC1(C)CC(=O)NCCN1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000895400584 591745092 /nfs/dbraw/zinc/74/50/92/591745092.db2.gz TWVWKQCQNWTYEJ-UHFFFAOYSA-N 0 3 331.460 1.748 20 10 EDCDHN CCCN(C)CC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000899473124 591816019 /nfs/dbraw/zinc/81/60/19/591816019.db2.gz MHIREJYPCCCAAX-UHFFFAOYSA-N 0 3 346.475 1.346 20 10 EDCDHN CC1(C)CCN(CCN2C(=O)CN(Cc3ccccc3O)C2=O)C1 ZINC000900157898 591920400 /nfs/dbraw/zinc/92/04/00/591920400.db2.gz NXHROLIOHFPXHL-UHFFFAOYSA-N 0 3 331.416 1.888 20 10 EDCDHN CN1CCC[C@](O)(CC(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000900432792 592016442 /nfs/dbraw/zinc/01/64/42/592016442.db2.gz HPCZBZUCRQQVRD-IBGZPJMESA-N 0 3 331.460 1.532 20 10 EDCDHN O=C1NCCN1CC1CC[NH+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000902585793 592020198 /nfs/dbraw/zinc/02/01/98/592020198.db2.gz HCOZQWQJQKRBOQ-MRXNPFEDSA-N 0 3 347.415 1.055 20 10 EDCDHN COc1ccc(O)c([C@@H](C)NC(=O)CCN2CCN(C(C)C)CC2)c1 ZINC000901127886 592243151 /nfs/dbraw/zinc/24/31/51/592243151.db2.gz OKKTUNXHGMXOKO-OAHLLOKOSA-N 0 3 349.475 1.994 20 10 EDCDHN Cc1cc(Br)c([O-])c(CN2CCNCC[NH2+]CC2)c1 ZINC000904396981 592244240 /nfs/dbraw/zinc/24/42/40/592244240.db2.gz UNILCOZHQJDIMV-UHFFFAOYSA-N 0 3 328.254 1.458 20 10 EDCDHN CCN(CC)c1ccc(CNC[C@H](O)C2(O)CCOCC2)cc1F ZINC000905104058 592408192 /nfs/dbraw/zinc/40/81/92/592408192.db2.gz DFFHYRAZSWIJHH-KRWDZBQOSA-N 0 3 340.439 1.664 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)c2cc(C(F)F)n(C)n2)cc1 ZINC000911668555 592974503 /nfs/dbraw/zinc/97/45/03/592974503.db2.gz ZQRNMQPLQVCSOG-LBPRGKRZSA-N 0 3 337.374 1.854 20 10 EDCDHN C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000795689522 593190489 /nfs/dbraw/zinc/19/04/89/593190489.db2.gz HWZQLLXIBMLKKS-SUYBPPKGSA-N 0 3 334.416 1.113 20 10 EDCDHN C[C@@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000795689522 593190490 /nfs/dbraw/zinc/19/04/90/593190490.db2.gz HWZQLLXIBMLKKS-SUYBPPKGSA-N 0 3 334.416 1.113 20 10 EDCDHN CC(=O)NCC[C@@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000808216593 593241272 /nfs/dbraw/zinc/24/12/72/593241272.db2.gz BTRCEBOWFZAYGA-GUYCJALGSA-N 0 3 334.416 1.556 20 10 EDCDHN CC(=O)NCC[C@@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000808216593 593241274 /nfs/dbraw/zinc/24/12/74/593241274.db2.gz BTRCEBOWFZAYGA-GUYCJALGSA-N 0 3 334.416 1.556 20 10 EDCDHN CN(C)c1ccc(CN[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1 ZINC000808424550 593258263 /nfs/dbraw/zinc/25/82/63/593258263.db2.gz LBDROMOMMLCDMY-OAHLLOKOSA-N 0 3 340.493 1.113 20 10 EDCDHN CN(C)c1ccc(CNC(=O)CN2CCCC[C@@H]2C2(O)CC2)cc1 ZINC000839618517 593351581 /nfs/dbraw/zinc/35/15/81/593351581.db2.gz LAYRIBFNKNGLCS-QGZVFWFLSA-N 0 3 331.460 1.748 20 10 EDCDHN COCCOCCN(C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809789824 593358759 /nfs/dbraw/zinc/35/87/59/593358759.db2.gz IKGVEFBIBOWYKM-UHFFFAOYSA-N 0 3 326.412 1.757 20 10 EDCDHN C[C@@H]([NH2+]CC(=O)N1CCNCC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817945718 593651055 /nfs/dbraw/zinc/65/10/55/593651055.db2.gz KHPXEHVDJJUHOX-SECBINFHSA-N 0 3 332.231 1.781 20 10 EDCDHN COc1ccc(N2CC[C@H](CNC(=O)N3C[C@@H](C)NC[C@@H]3C)C2)cc1 ZINC000818656616 593710675 /nfs/dbraw/zinc/71/06/75/593710675.db2.gz ZMLUFRDEESWWCP-OWCLPIDISA-N 0 3 346.475 1.913 20 10 EDCDHN CN(C)c1ccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1F ZINC000818985393 593732439 /nfs/dbraw/zinc/73/24/39/593732439.db2.gz SPPFSYNIGHESCZ-ZDUSSCGKSA-N 0 3 337.355 1.147 20 10 EDCDHN CS(=O)(=O)CCNC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000819002404 593733289 /nfs/dbraw/zinc/73/32/89/593733289.db2.gz LDFBKLHUKTTXCX-UHFFFAOYSA-N 0 3 348.415 1.891 20 10 EDCDHN O=S1(=O)CC[C@@](O)(CNCc2ccc(N3CCCCC3)cc2)C1 ZINC000824608479 594046821 /nfs/dbraw/zinc/04/68/21/594046821.db2.gz GSYSWXHHKMSPAT-QGZVFWFLSA-N 0 3 338.473 1.316 20 10 EDCDHN CS[C@H]1CC[C@H]1NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000822455347 594051159 /nfs/dbraw/zinc/05/11/59/594051159.db2.gz DLJXVVAMABXUOC-CVEARBPZSA-N 0 3 340.514 1.905 20 10 EDCDHN CN1C(=O)NCC12CCN(Cc1ccc(N3CCOCC3)cc1)CC2 ZINC000822529742 594063021 /nfs/dbraw/zinc/06/30/21/594063021.db2.gz IJTFAVGSCXKGAE-UHFFFAOYSA-N 0 3 344.459 1.513 20 10 EDCDHN O=C(C[C@H]1CNCCO1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000829003790 594547002 /nfs/dbraw/zinc/54/70/02/594547002.db2.gz REEXFFIXAMGDDJ-CVEARBPZSA-N 0 3 334.416 1.278 20 10 EDCDHN CC[C@H](C)[C@H](N)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000827468929 594674996 /nfs/dbraw/zinc/67/49/96/594674996.db2.gz HEAKMDQJULROBH-LXZKKBNFSA-N 0 3 346.475 1.378 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNC(=O)C2(C(=O)NC3CC3)CCC2)cc1 ZINC000832274126 594739605 /nfs/dbraw/zinc/73/96/05/594739605.db2.gz SNYXMVVKNPXEBH-MRXNPFEDSA-N 0 3 344.459 1.318 20 10 EDCDHN C[C@@H](NC(=O)C(C)(C)C)C(=O)NC[C@H](N)c1ccc(N(C)C)cc1 ZINC000832293599 594740811 /nfs/dbraw/zinc/74/08/11/594740811.db2.gz YLTOIKFFOYQINK-DOMZBBRYSA-N 0 3 334.464 1.419 20 10 EDCDHN Cc1cc(N(C)C)ccc1CN1CCN(C(=O)CN2CCCC2)CC1 ZINC000840913610 594826669 /nfs/dbraw/zinc/82/66/69/594826669.db2.gz IRAXFTMEXYEGBV-UHFFFAOYSA-N 0 3 344.503 1.801 20 10 EDCDHN Cc1ccc(CN(CCN(C)C)C(=O)C(=O)Nc2ccc(N)cc2)o1 ZINC000841100024 594850908 /nfs/dbraw/zinc/85/09/08/594850908.db2.gz CPFNJCFGOCAHKF-UHFFFAOYSA-N 0 3 344.415 1.699 20 10 EDCDHN C[C@@H](NC(=O)N1C[C@@H](C)NC[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000841740020 594945775 /nfs/dbraw/zinc/94/57/75/594945775.db2.gz DEGPMLKOHVLGCS-OWCLPIDISA-N 0 3 346.475 1.976 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNC(=O)[C@H](N)Cc2ccccc2)cc1 ZINC000841846787 594964348 /nfs/dbraw/zinc/96/43/48/594964348.db2.gz UZYMYBKDHKHRJA-QZTJIDSGSA-N 0 3 326.444 1.439 20 10 EDCDHN O=C(NCc1cc(Br)ccc1[O-])NC[C@@H]1CCC[NH2+]C1 ZINC000841923505 594982582 /nfs/dbraw/zinc/98/25/82/594982582.db2.gz JDHLEWZHSYULAN-SNVBAGLBSA-N 0 3 342.237 1.954 20 10 EDCDHN CC(C)C[C@H](CN)NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000842150016 595023570 /nfs/dbraw/zinc/02/35/70/595023570.db2.gz LEVVSCDSVSTBGQ-MRXNPFEDSA-N 0 3 346.475 1.175 20 10 EDCDHN CC(=O)NCCCCCC(=O)NC[C@H](N)c1ccc(N(C)C)cc1 ZINC000843297443 595066285 /nfs/dbraw/zinc/06/62/85/595066285.db2.gz JGJLIFXKIZNXTR-KRWDZBQOSA-N 0 3 334.464 1.565 20 10 EDCDHN COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000843489118 595127394 /nfs/dbraw/zinc/12/73/94/595127394.db2.gz FOXGVWRCTOYKIU-WVSHTKLVSA-N 0 3 326.780 1.285 20 10 EDCDHN COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)CC[NH2+]C(C)C ZINC000843489399 595127830 /nfs/dbraw/zinc/12/78/30/595127830.db2.gz MQMDSMUGIWJCTJ-UHFFFAOYSA-N 0 3 342.823 1.935 20 10 EDCDHN COc1cccc([C@H](C)[NH2+]C[C@H]2CCC[C@]23NC(=O)N(C)C3=O)c1[O-] ZINC000846161435 595162155 /nfs/dbraw/zinc/16/21/55/595162155.db2.gz ZCBSWIUBHAEGMN-IUUKEHGRSA-N 0 3 347.415 1.772 20 10 EDCDHN O=C([C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1)N1CCNCC1 ZINC000843046967 595273125 /nfs/dbraw/zinc/27/31/25/595273125.db2.gz JKGJLOMAFGFQLV-CYBMUJFWSA-N 0 3 337.851 1.689 20 10 EDCDHN O=C([C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1)N1CCNCC1 ZINC000843046967 595273127 /nfs/dbraw/zinc/27/31/27/595273127.db2.gz JKGJLOMAFGFQLV-CYBMUJFWSA-N 0 3 337.851 1.689 20 10 EDCDHN COC(=O)[C@@H]1C[NH2+]CCCN1Cc1cc(Cl)cc(OC)c1[O-] ZINC000843123810 595292743 /nfs/dbraw/zinc/29/27/43/595292743.db2.gz PXANRETWOYBLGL-LBPRGKRZSA-N 0 3 328.796 1.391 20 10 EDCDHN COCCN1CC[C@@H](NC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000845004660 595425692 /nfs/dbraw/zinc/42/56/92/595425692.db2.gz RZPHUMLEVVIDTE-CYBMUJFWSA-N 0 3 327.812 1.566 20 10 EDCDHN COc1ccc(O)c([C@@H](C)NC(=O)c2ccn(CCN(C)C)n2)c1 ZINC000847588775 595453245 /nfs/dbraw/zinc/45/32/45/595453245.db2.gz BDWRAKQEIBGOEL-GFCCVEGCSA-N 0 3 332.404 1.650 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNC(=O)Cn2cc(C3CC3)cn2)cc1 ZINC000852792697 595545051 /nfs/dbraw/zinc/54/50/51/595545051.db2.gz ZUBPGJHBHSCHAJ-QGZVFWFLSA-N 0 3 327.432 1.643 20 10 EDCDHN COc1ccc(CN[C@@H]2CCCC[C@H]2NS(C)(=O)=O)cc1C ZINC000858252915 595743566 /nfs/dbraw/zinc/74/35/66/595743566.db2.gz XDOWRNQILAQLSK-HUUCEWRRSA-N 0 3 326.462 1.954 20 10 EDCDHN COc1cc(CNC[C@@H]2CC(C(N)=O)=NO2)c(O)c(C(C)(C)C)c1 ZINC000850279014 595795837 /nfs/dbraw/zinc/79/58/37/595795837.db2.gz MTNQXWYNQUCELA-LBPRGKRZSA-N 0 3 335.404 1.418 20 10 EDCDHN COC[C@]1(C)CN(Cc2ccc(N3CCN(C)CC3)cc2)CCO1 ZINC000862550554 596344830 /nfs/dbraw/zinc/34/48/30/596344830.db2.gz FKQHRAIPJDUGAO-IBGZPJMESA-N 0 3 333.476 1.676 20 10 EDCDHN CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2c([O-])cccc2OC)C1 ZINC000862552353 596345214 /nfs/dbraw/zinc/34/52/14/596345214.db2.gz WXFYIYFGQMPTLS-LBPRGKRZSA-N 0 3 328.434 1.162 20 10 EDCDHN CNS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2c([O-])cccc2OC)C1 ZINC000862552353 596345217 /nfs/dbraw/zinc/34/52/17/596345217.db2.gz WXFYIYFGQMPTLS-LBPRGKRZSA-N 0 3 328.434 1.162 20 10 EDCDHN CNS(=O)(=O)C[C@H]1CCCN(Cc2cc(OC)c(C)cc2O)C1 ZINC000863341890 596557167 /nfs/dbraw/zinc/55/71/67/596557167.db2.gz WHXWCBXXOFUGCC-ZDUSSCGKSA-N 0 3 342.461 1.470 20 10 EDCDHN Cc1cc(CN2CCNC(=O)CC23CCOCC3)ccc1N(C)C ZINC000872283513 596866516 /nfs/dbraw/zinc/86/65/16/596866516.db2.gz DNXJNGYCZNBSPX-UHFFFAOYSA-N 0 3 331.460 1.932 20 10 EDCDHN COc1ccc(CNCCN2CCOC[C@@H]2C)cc1Cn1cccn1 ZINC000873042124 597168683 /nfs/dbraw/zinc/16/86/83/597168683.db2.gz MLXSAUXBQHLTOQ-INIZCTEOSA-N 0 3 344.459 1.750 20 10 EDCDHN CCc1nncn1CCNCc1ccc(OC)c(Cn2cccn2)c1 ZINC000873064797 597177802 /nfs/dbraw/zinc/17/78/02/597177802.db2.gz ITRRPVKGUOUESP-UHFFFAOYSA-N 0 3 340.431 1.884 20 10 EDCDHN NC(=O)CN(Cc1ccc(N2CCC(O)CC2)cc1)C1CCCC1 ZINC000876570536 597245065 /nfs/dbraw/zinc/24/50/65/597245065.db2.gz FSMPAIZXWBLSDJ-UHFFFAOYSA-N 0 3 331.460 1.878 20 10 EDCDHN CC(=O)NC[C@H]1CCCCN1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000877676246 597546855 /nfs/dbraw/zinc/54/68/55/597546855.db2.gz ZLZGNHKSKOGEEL-HXUWFJFHSA-N 0 3 344.503 1.929 20 10 EDCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@H]1CCCN(CCN3CCOCC3)C1)CC2 ZINC000883371520 597725697 /nfs/dbraw/zinc/72/56/97/597725697.db2.gz NWLPJLJFGWWMGZ-ROUUACIJSA-N 0 3 345.487 1.766 20 10 EDCDHN [O-]c1cccc2c1[C@H]([NH2+][C@H]1CCCN(CCN3CCOCC3)C1)CC2 ZINC000883371521 597726333 /nfs/dbraw/zinc/72/63/33/597726333.db2.gz NWLPJLJFGWWMGZ-ZWKOTPCHSA-N 0 3 345.487 1.766 20 10 EDCDHN COCC[C@@H](N)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC000884305560 598059878 /nfs/dbraw/zinc/05/98/78/598059878.db2.gz ZOWRWSXCPFHNNF-ZWKOTPCHSA-N 0 3 349.475 1.624 20 10 EDCDHN CN1CCc2cc(CNC(=O)NC[C@H](O)CN3CCCCC3)ccc21 ZINC000372446066 250219767 /nfs/dbraw/zinc/21/97/67/250219767.db2.gz JRPIHPUMUXHNHO-KRWDZBQOSA-N 0 3 346.475 1.325 20 10 EDCDHN CN(C)c1ccc(CN(C)C(=O)CN[C@@H]2CCO[C@H]2C2CC2)cc1 ZINC000368905056 250201931 /nfs/dbraw/zinc/20/19/31/250201931.db2.gz MTDHVEQNXFHKSS-MJGOQNOKSA-N 0 3 331.460 1.868 20 10 EDCDHN COc1ccc(N2CCCN(CCC(=O)OC[C@H](C)O)CC2)cc1 ZINC000370467144 250207310 /nfs/dbraw/zinc/20/73/10/250207310.db2.gz ADVIGEHOBJNMHD-HNNXBMFYSA-N 0 3 336.432 1.521 20 10 EDCDHN C[C@H](N[C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(N(C)C)cc1 ZINC000269009920 290045832 /nfs/dbraw/zinc/04/58/32/290045832.db2.gz NFXFWTNGVPBGOY-ZFWWWQNUSA-N 0 3 325.478 1.827 20 10 EDCDHN CCOc1ccc([O-])c(C[NH2+]C[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)c1 ZINC000377978467 447393441 /nfs/dbraw/zinc/39/34/41/447393441.db2.gz PDCXLBOZFNBIGE-FZKQIMNGSA-N 0 3 347.415 1.601 20 10 EDCDHN O[C@H]1CCC[C@@H]1N1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000378351624 447420180 /nfs/dbraw/zinc/42/01/80/447420180.db2.gz WYXVGLZZGFVXQD-PMACEKPBSA-N 0 3 345.487 1.554 20 10 EDCDHN COc1cc(O)c(CN2CCC(N3CCCC3=O)CC2)cc1OC ZINC000160154440 441862527 /nfs/dbraw/zinc/86/25/27/441862527.db2.gz WBLNEDLEBBTYNS-UHFFFAOYSA-N 0 3 334.416 1.996 20 10 EDCDHN CNCC(=O)NC1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000165993430 442212719 /nfs/dbraw/zinc/21/27/19/442212719.db2.gz BUFZKEQKJLCHIV-UHFFFAOYSA-N 0 3 331.338 1.890 20 10 EDCDHN NS(=O)(=O)CCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000171934358 442391919 /nfs/dbraw/zinc/39/19/19/442391919.db2.gz DYEKMASNUNZYKE-CQSZACIVSA-N 0 3 328.434 1.052 20 10 EDCDHN NS(=O)(=O)CCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000171934358 442391922 /nfs/dbraw/zinc/39/19/22/442391922.db2.gz DYEKMASNUNZYKE-CQSZACIVSA-N 0 3 328.434 1.052 20 10 EDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2CCCN2S(C)(=O)=O)c1 ZINC000186168547 442476347 /nfs/dbraw/zinc/47/63/47/442476347.db2.gz OAGPZFKJVKKFNA-VXGBXAGGSA-N 0 3 328.434 1.475 20 10 EDCDHN CCN(CC)CC(=O)N1CCN(Cc2cc(OC)ccc2O)CC1 ZINC000180032563 442531685 /nfs/dbraw/zinc/53/16/85/442531685.db2.gz SPPUKQSRAKBWOB-UHFFFAOYSA-N 0 3 335.448 1.387 20 10 EDCDHN COc1ccc(O)c(CN2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1 ZINC000180617191 442634949 /nfs/dbraw/zinc/63/49/49/442634949.db2.gz RWRFVTDTXHSCSK-INIZCTEOSA-N 0 3 333.432 1.139 20 10 EDCDHN COc1cc(N2CCN(CCCCCO)CC2)cc(OC)c1OC ZINC000183697103 442953343 /nfs/dbraw/zinc/95/33/43/442953343.db2.gz IIXWHTVIBUXCPQ-UHFFFAOYSA-N 0 3 338.448 1.997 20 10 EDCDHN CCOc1cccc(CN2C[C@H](CO)C[C@@H](OCCOC)C2)c1O ZINC000278812741 443449366 /nfs/dbraw/zinc/44/93/66/443449366.db2.gz YSMCUKXYZDQSNE-GDBMZVCRSA-N 0 3 339.432 1.637 20 10 EDCDHN C[C@@H]1CN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C[C@H]1C ZINC000267695115 443543910 /nfs/dbraw/zinc/54/39/10/443543910.db2.gz SRMQDLNLDXEQIJ-HUUCEWRRSA-N 0 3 349.450 1.866 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@@H](CCO)C(C)C)cc2=O ZINC000274143473 443596506 /nfs/dbraw/zinc/59/65/06/443596506.db2.gz ZSPZONYAXZFYPA-ZDUSSCGKSA-N 0 3 336.392 1.108 20 10 EDCDHN Cc1ccc([O-])c(C[N@H+]2CC[C@@H](N(C)Cc3nccc(N)n3)C2)c1 ZINC000275830977 443644207 /nfs/dbraw/zinc/64/42/07/443644207.db2.gz VIRJFYRHLSLKDZ-OAHLLOKOSA-N 0 3 327.432 1.779 20 10 EDCDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@@H](N(C)Cc3nccc(N)n3)C2)c1 ZINC000275830977 443644210 /nfs/dbraw/zinc/64/42/10/443644210.db2.gz VIRJFYRHLSLKDZ-OAHLLOKOSA-N 0 3 327.432 1.779 20 10 EDCDHN CCCN(CC)CCNC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000288114648 443775430 /nfs/dbraw/zinc/77/54/30/443775430.db2.gz IXVBWJJQMKFFOQ-UHFFFAOYSA-N 0 3 348.491 1.559 20 10 EDCDHN NC(=O)[C@H]1CCO[C@@H]1C1CC[NH+](Cc2cc3c(cc2[O-])OCO3)CC1 ZINC000284479126 443777031 /nfs/dbraw/zinc/77/70/31/443777031.db2.gz GJFYJOXXDBQFGL-SUMWQHHRSA-N 0 3 348.399 1.223 20 10 EDCDHN CCCN(Cc1ccccc1O)C(=O)C(=O)N1C[C@H](N(C)C)[C@@H](C)C1 ZINC000298635309 443824219 /nfs/dbraw/zinc/82/42/19/443824219.db2.gz KHKFWVMMKMNTFC-HOCLYGCPSA-N 0 3 347.459 1.539 20 10 EDCDHN COc1cc([O-])c(C[N@@H+]2CC[C@@H](C(=O)N3CCCC3)C2)cc1OC ZINC000288640639 443942577 /nfs/dbraw/zinc/94/25/77/443942577.db2.gz QGPJZLJLMUUJDP-CYBMUJFWSA-N 0 3 334.416 1.854 20 10 EDCDHN COc1cc([O-])c(C[N@H+]2CC[C@@H](C(=O)N3CCCC3)C2)cc1OC ZINC000288640639 443942580 /nfs/dbraw/zinc/94/25/80/443942580.db2.gz QGPJZLJLMUUJDP-CYBMUJFWSA-N 0 3 334.416 1.854 20 10 EDCDHN CCOc1ccc(O)c(CN2CCC3(CC2)NC(=O)N(C)C3=O)c1 ZINC000289543854 444168988 /nfs/dbraw/zinc/16/89/88/444168988.db2.gz XAJQCAZSFMMYGV-UHFFFAOYSA-N 0 3 333.388 1.307 20 10 EDCDHN CN(C)c1ccc(CNC(=O)CN[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc1 ZINC000296369150 444224357 /nfs/dbraw/zinc/22/43/57/444224357.db2.gz SMKSDZFHRXXUMR-JQHSSLGASA-N 0 3 331.460 1.772 20 10 EDCDHN CCOc1cccc(CN[C@@H]2CCN(c3ccn(C)n3)C2=O)c1O ZINC000360093692 445562525 /nfs/dbraw/zinc/56/25/25/445562525.db2.gz VBLNLVYTNGDUFR-CYBMUJFWSA-N 0 3 330.388 1.420 20 10 EDCDHN COCCN1CC[C@H](NC(=O)NCCCSc2nccs2)C1 ZINC000759584784 580009740 /nfs/dbraw/zinc/00/97/40/580009740.db2.gz ZUIAFGJJDGRLHD-LBPRGKRZSA-N 0 3 344.506 1.645 20 10 EDCDHN COc1ccc(N2CCN(C(=O)CN3CCC[C@@]3(C)CO)CC2)cc1 ZINC000759899887 580018473 /nfs/dbraw/zinc/01/84/73/580018473.db2.gz FKZGTQXTXKBWCG-IBGZPJMESA-N 0 3 347.459 1.191 20 10 EDCDHN CCN1CCC[C@@H]1CN(CCN(C)C)C(=O)C1=CC(=O)CS1 ZINC000732281265 578702481 /nfs/dbraw/zinc/70/24/81/578702481.db2.gz VZPQPMZEEOTNNB-CYBMUJFWSA-N 0 3 325.478 1.942 20 10 EDCDHN COc1cc(Cl)cc(CN2CCN(C(C)(C)CO)CC2)c1O ZINC000761203505 580051378 /nfs/dbraw/zinc/05/13/78/580051378.db2.gz VAJGOJSUGQRXHW-UHFFFAOYSA-N 0 3 328.840 1.943 20 10 EDCDHN C[C@@H]([NH2+]C[C@@]1(O)CCN(C)C1)c1ccc(Br)cc1[O-] ZINC000762787445 580083234 /nfs/dbraw/zinc/08/32/34/580083234.db2.gz MNRMFESAJOQIBC-YGRLFVJLSA-N 0 3 329.238 1.872 20 10 EDCDHN CCOc1ccc(C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)c([O-])c1 ZINC000768235239 580209496 /nfs/dbraw/zinc/20/94/96/580209496.db2.gz YQQLCLYFACEIJI-MRXNPFEDSA-N 0 3 348.443 1.862 20 10 EDCDHN CCOc1ccc(C[N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)c([O-])c1 ZINC000768235239 580209497 /nfs/dbraw/zinc/20/94/97/580209497.db2.gz YQQLCLYFACEIJI-MRXNPFEDSA-N 0 3 348.443 1.862 20 10 EDCDHN CCN(CC)CCNC(=O)C(=O)NCc1ccc(N(C)C)cc1C ZINC000774438519 580362242 /nfs/dbraw/zinc/36/22/42/580362242.db2.gz SMANSZIDINZQSX-UHFFFAOYSA-N 0 3 334.464 1.135 20 10 EDCDHN COc1ccc(O)c([C@@H](C)N[C@H](C)C(=O)N2CCN(C(C)=O)CC2)c1 ZINC000775370991 580389416 /nfs/dbraw/zinc/38/94/16/580389416.db2.gz ZGAFSTIILGAFMO-CHWSQXEVSA-N 0 3 349.431 1.131 20 10 EDCDHN CCO[C@@H]1COCC[C@@H]1NCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000776485844 580418408 /nfs/dbraw/zinc/41/84/08/580418408.db2.gz ATYWRLDJBVSVPS-ZWKOTPCHSA-N 0 3 349.475 1.495 20 10 EDCDHN Cc1ccc(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)c([O-])c1O ZINC000780935997 580538033 /nfs/dbraw/zinc/53/80/33/580538033.db2.gz XUPYTVPWJBPBSI-UHFFFAOYSA-N 0 3 349.431 1.079 20 10 EDCDHN CCC[C@@]1(C)C(=O)NCCN1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000783740775 580605037 /nfs/dbraw/zinc/60/50/37/580605037.db2.gz MOMXGTOQCKZFFR-FQEVSTJZSA-N 0 3 344.503 1.929 20 10 EDCDHN CC1([C@H]2CCC[N@H+](Cc3cc4c(cc3[O-])OC[C@H]4O)C2)OCCO1 ZINC000784039692 580612439 /nfs/dbraw/zinc/61/24/39/580612439.db2.gz ZEDOGXJPZGUUIK-XJKSGUPXSA-N 0 3 335.400 1.793 20 10 EDCDHN CC1([C@H]2CCC[N@@H+](Cc3cc4c(cc3[O-])OC[C@H]4O)C2)OCCO1 ZINC000784039692 580612440 /nfs/dbraw/zinc/61/24/40/580612440.db2.gz ZEDOGXJPZGUUIK-XJKSGUPXSA-N 0 3 335.400 1.793 20 10 EDCDHN CC(=O)NCCCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891939807 590697399 /nfs/dbraw/zinc/69/73/99/590697399.db2.gz GODNLXIPNPGZSS-QGZVFWFLSA-N 0 3 349.479 1.181 20 10 EDCDHN COCCOC[C@H](C)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000893329477 590783021 /nfs/dbraw/zinc/78/30/21/590783021.db2.gz READQDLJISBEML-RDJZCZTQSA-N 0 3 349.475 1.529 20 10 EDCDHN CCn1nncc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891246968 591016429 /nfs/dbraw/zinc/01/64/29/591016429.db2.gz FWCKHSMPQBUWPB-OAHLLOKOSA-N 0 3 330.436 1.397 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cc3n(n2)CCC3)N(C)C)cc1 ZINC000891248447 591017361 /nfs/dbraw/zinc/01/73/61/591017361.db2.gz MTSRVQNNQDDEJI-GOSISDBHSA-N 0 3 341.459 1.928 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)c2c[nH]c(C(N)=O)c2)N(C)C)cc1 ZINC000891254941 591021721 /nfs/dbraw/zinc/02/17/21/591021721.db2.gz KPAOEBCYTFQXIM-MRXNPFEDSA-N 0 3 343.431 1.212 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)Cn2ccccc2=O)N(C)C)cc1 ZINC000891256528 591022149 /nfs/dbraw/zinc/02/21/49/591022149.db2.gz YZPJSNOHIRYFDE-QGZVFWFLSA-N 0 3 342.443 1.333 20 10 EDCDHN CCO[C@@H]1C[C@H](NCc2ccc(N3CCOCC3)c(F)c2)[C@H]1OC ZINC000892622053 591099963 /nfs/dbraw/zinc/09/99/63/591099963.db2.gz NKSHJPTZGLCJNG-CGTJXYLNSA-N 0 3 338.423 1.944 20 10 EDCDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CCCN(CCN2CCOCC2)C1 ZINC000895686486 591248915 /nfs/dbraw/zinc/24/89/15/591248915.db2.gz SJKIJCOQVFTFLU-QGZVFWFLSA-N 0 3 333.476 1.587 20 10 EDCDHN Cc1cccc(C[NH2+][C@H]2CCCN(CCN3CCOCC3)C2)c1[O-] ZINC000895688753 591249834 /nfs/dbraw/zinc/24/98/34/591249834.db2.gz YHLDMGBOKLBQLZ-SFHVURJKSA-N 0 3 333.476 1.587 20 10 EDCDHN CN(C)c1ccc([C@H](CNc2cncc3ncnn32)N(C)C)cc1 ZINC000897525460 591529016 /nfs/dbraw/zinc/52/90/16/591529016.db2.gz OFQSFELJRJJMAI-HNNXBMFYSA-N 0 3 325.420 1.905 20 10 EDCDHN CN(C)c1cc(F)c(CN2CCN(C)CCN(C)CC2)cc1F ZINC000897858274 591680532 /nfs/dbraw/zinc/68/05/32/591680532.db2.gz DWWWTBBYABMBGR-UHFFFAOYSA-N 0 3 326.435 1.710 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)NCC(F)(F)CO)N(C)C)cc1 ZINC000899103392 591683812 /nfs/dbraw/zinc/68/38/12/591683812.db2.gz LJUSDZFQJLNKEO-AWEZNQCLSA-N 0 3 344.406 1.282 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)N(C)CC2(O)CCC2)N(C)C)cc1 ZINC000899100884 591689912 /nfs/dbraw/zinc/68/99/12/591689912.db2.gz CJJCDHBOAXLPMY-QGZVFWFLSA-N 0 3 348.491 1.912 20 10 EDCDHN CN(C)c1ccc([C@H](CN2C(=O)N[C@]3(CCOC3)C2=O)N(C)C)cc1 ZINC000900185559 591932719 /nfs/dbraw/zinc/93/27/19/591932719.db2.gz ORAYLBQEDCWTHX-YJBOKZPZSA-N 0 3 346.431 1.066 20 10 EDCDHN COCC[C@@H]1CNCCN1c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC000900441542 592019629 /nfs/dbraw/zinc/01/96/29/592019629.db2.gz VEOUABPFUXCGEN-YVARQFDVSA-N 0 3 349.387 1.596 20 10 EDCDHN CN1CCN(c2ccc(CNC[C@@H](O)C3(O)CCCC3)cc2)CC1 ZINC000905426233 592531678 /nfs/dbraw/zinc/53/16/78/592531678.db2.gz GCHOZJJLSPKMGA-GOSISDBHSA-N 0 3 333.476 1.194 20 10 EDCDHN COc1ccc(N2CCCN(CCN3C(=O)N[C@H](C)C3=O)CC2)cc1 ZINC000838799885 593213392 /nfs/dbraw/zinc/21/33/92/593213392.db2.gz ZBGJKIDIEVXHRK-CQSZACIVSA-N 0 3 346.431 1.148 20 10 EDCDHN C[C@@H]([NH2+]CC(=O)N1CCNCC1)c1cccc(C(F)(F)F)c1[O-] ZINC000817945501 593651012 /nfs/dbraw/zinc/65/10/12/593651012.db2.gz FDGJOCZBFQYCDU-SNVBAGLBSA-N 0 3 331.338 1.493 20 10 EDCDHN C[C@H](NCC(=O)N1CCNCC1)c1ccc(N2CCCCC2)cc1 ZINC000817945375 593651120 /nfs/dbraw/zinc/65/11/20/593651120.db2.gz AMKCAQHWGGFBCY-INIZCTEOSA-N 0 3 330.476 1.759 20 10 EDCDHN COC[C@H](O)CNCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000818966377 593730925 /nfs/dbraw/zinc/73/09/25/593730925.db2.gz JTVQTXMGATWBJS-UMVBOHGHSA-N 0 3 326.412 1.536 20 10 EDCDHN O=C1CN(Cc2ccccc2O)C(=O)N1[C@@H]1CCN(CC2CC2)C1 ZINC000819167484 593742320 /nfs/dbraw/zinc/74/23/20/593742320.db2.gz BMFISRGHMLHINQ-OAHLLOKOSA-N 0 3 329.400 1.641 20 10 EDCDHN N[C@H](CC(F)F)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000827321611 594660995 /nfs/dbraw/zinc/66/09/95/594660995.db2.gz ZSUONHGYJPTVIY-CYBMUJFWSA-N 0 3 329.416 1.839 20 10 EDCDHN COc1ccc(N2CC[C@@H](CNC(=O)C[C@H]3CNCCO3)C2)cc1 ZINC000831749093 594699034 /nfs/dbraw/zinc/69/90/34/594699034.db2.gz XXFQIFMBWNVWBP-YOEHRIQHSA-N 0 3 333.432 1.016 20 10 EDCDHN CCOC(=O)[C@@H]1CCC[C@@H]1NCC(=O)NCc1ccc(N(C)C)cc1 ZINC000832073222 594724066 /nfs/dbraw/zinc/72/40/66/594724066.db2.gz XQTLCVXTSVFGPG-SJORKVTESA-N 0 3 347.459 1.690 20 10 EDCDHN Cc1cc(C)c([C@H](C)[NH2+]CCCCn2cc(C(N)=O)nn2)c([O-])c1 ZINC000840897332 594825020 /nfs/dbraw/zinc/82/50/20/594825020.db2.gz ROQNUBNAISTHND-ZDUSSCGKSA-N 0 3 331.420 1.830 20 10 EDCDHN COC(=O)[C@@H]1CN(C)CCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000840958597 594832636 /nfs/dbraw/zinc/83/26/36/594832636.db2.gz QOHGYRVKECUQEM-QGZVFWFLSA-N 0 3 347.459 1.060 20 10 EDCDHN CN1CCCc2cc(CNC(=O)C(=O)N3CCCC[C@H]3CN)ccc21 ZINC000842150432 595023927 /nfs/dbraw/zinc/02/39/27/595023927.db2.gz SEDFUTIEMUWKTJ-INIZCTEOSA-N 0 3 344.459 1.025 20 10 EDCDHN C[C@H]1C(=O)N(CCN(C)C)CN1C/C=C/c1ccc(N(C)C)cc1 ZINC000843429428 595108324 /nfs/dbraw/zinc/10/83/24/595108324.db2.gz VNGAXGLKUBJMED-MOEXGYKKSA-N 0 3 330.476 1.818 20 10 EDCDHN COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000843489222 595127290 /nfs/dbraw/zinc/12/72/90/595127290.db2.gz JEPJOTBRQTVVBB-GXFFZTMASA-N 0 3 340.807 1.545 20 10 EDCDHN CNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000842640580 595153625 /nfs/dbraw/zinc/15/36/25/595153625.db2.gz AGZGHMRYDGLBDT-CQSZACIVSA-N 0 3 346.305 1.621 20 10 EDCDHN Cc1cc(Cl)cc(CN2CCC[C@@H](N3CCNCC3=O)C2)c1O ZINC000843065899 595279240 /nfs/dbraw/zinc/27/92/40/595279240.db2.gz RBNASCJFOIMNSU-OAHLLOKOSA-N 0 3 337.851 1.750 20 10 EDCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CNC(=O)C2)c1[O-] ZINC000848553450 595405260 /nfs/dbraw/zinc/40/52/60/595405260.db2.gz SVHGCFGBLCPKIZ-IUCAKERBSA-N 0 3 343.221 1.950 20 10 EDCDHN COc1ccc(N2CCN(C(=O)CN3CC[C@H](C)C3)CC2)cc1F ZINC000847557632 595446891 /nfs/dbraw/zinc/44/68/91/595446891.db2.gz UJESHIFFMUAAET-AWEZNQCLSA-N 0 3 335.423 1.825 20 10 EDCDHN O=C(CNC[C@@H]1CCCO1)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000852868731 595588587 /nfs/dbraw/zinc/58/85/87/595588587.db2.gz LMZMBUNZUOQICI-SFHVURJKSA-N 0 3 347.459 1.033 20 10 EDCDHN CCOC(=O)C[C@@H](O)C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000859190409 595999372 /nfs/dbraw/zinc/99/93/72/595999372.db2.gz JXULWYOIPXFTBA-CVEARBPZSA-N 0 3 337.416 1.687 20 10 EDCDHN CCOC(=O)C[C@@H](O)C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000859190409 595999375 /nfs/dbraw/zinc/99/93/75/595999375.db2.gz JXULWYOIPXFTBA-CVEARBPZSA-N 0 3 337.416 1.687 20 10 EDCDHN CCc1noc(C[C@@]2(O)CCCN(Cc3cccc(OC)c3O)C2)n1 ZINC000856593233 596026897 /nfs/dbraw/zinc/02/68/97/596026897.db2.gz QMGQJDZLRKRZJN-SFHVURJKSA-N 0 3 347.415 1.916 20 10 EDCDHN COc1ccc(N2CC[C@@H](NC(=O)N[C@@H]3CCN(C4CC4)C3)C2)cc1 ZINC000852186401 596076668 /nfs/dbraw/zinc/07/66/68/596076668.db2.gz FFGAITZGGXQUHL-HUUCEWRRSA-N 0 3 344.459 1.810 20 10 EDCDHN CN(C)c1ccc(CN(C)C(=O)CN2C[C@@H]3CCC[C@]3(CO)C2)cc1 ZINC000859918967 596224888 /nfs/dbraw/zinc/22/48/88/596224888.db2.gz PAFSOXXUNINNKX-FXAWDEMLSA-N 0 3 345.487 1.805 20 10 EDCDHN CC[N@@H+](Cc1cc(Br)ccc1[O-])C[C@@H]1CNCCO1 ZINC000852747190 596237734 /nfs/dbraw/zinc/23/77/34/596237734.db2.gz YQYRRTFTTIPCMU-ZDUSSCGKSA-N 0 3 329.238 1.965 20 10 EDCDHN CC[N@H+](Cc1cc(Br)ccc1[O-])C[C@@H]1CNCCO1 ZINC000852747190 596237735 /nfs/dbraw/zinc/23/77/35/596237735.db2.gz YQYRRTFTTIPCMU-ZDUSSCGKSA-N 0 3 329.238 1.965 20 10 EDCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1 ZINC000862482518 596334698 /nfs/dbraw/zinc/33/46/98/596334698.db2.gz UWLIUGAPOQWVCB-CYBMUJFWSA-N 0 3 328.351 1.338 20 10 EDCDHN NC(=O)[C@H]1CCCN(c2ccc(CNCc3ccc(=O)[nH]c3)cc2)C1 ZINC000865423909 596570207 /nfs/dbraw/zinc/57/02/07/596570207.db2.gz QFYQGCYBFWZQPM-INIZCTEOSA-N 0 3 340.427 1.779 20 10 EDCDHN CCN(CC)c1ccc(CNC[C@@H](O)CC2(O)CCOCC2)cc1 ZINC000872200472 596832980 /nfs/dbraw/zinc/83/29/80/596832980.db2.gz GRMJKSZJQBTMKE-SFHVURJKSA-N 0 3 336.476 1.915 20 10 EDCDHN COc1ccc(CN[C@@H]2CCN(C(C)=O)C2)cc1Cn1cccn1 ZINC000873139842 597208681 /nfs/dbraw/zinc/20/86/81/597208681.db2.gz DSPWFIIGLPWKDO-QGZVFWFLSA-N 0 3 328.416 1.650 20 10 EDCDHN COc1ccc(CNC[C@H]2COCCN2C)cc1Cn1cccn1 ZINC000873143370 597210361 /nfs/dbraw/zinc/21/03/61/597210361.db2.gz JSXJNAPFXPIKBF-KRWDZBQOSA-N 0 3 330.432 1.360 20 10 EDCDHN CC(C)C(=O)NCCN(C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876816319 597350186 /nfs/dbraw/zinc/35/01/86/597350186.db2.gz JPSSNIQHYXHRHK-UHFFFAOYSA-N 0 3 333.476 1.852 20 10 EDCDHN COC[C@]1(C(=O)N(C)CCN(C)c2ccc(OC)cc2)CCCCN1 ZINC000876949241 597393796 /nfs/dbraw/zinc/39/37/96/597393796.db2.gz PMKZSOZKPJBFKQ-IBGZPJMESA-N 0 3 349.475 1.749 20 10 EDCDHN COc1ccc(O)c(CNC(=O)NC[C@H]2CCN2C2CCOCC2)c1 ZINC000918745630 697205448 /nfs/dbraw/zinc/20/54/48/697205448.db2.gz PPDXJVJTWCUMJJ-OAHLLOKOSA-N 0 3 349.431 1.453 20 10 EDCDHN CO[C@@H](C)CN1CC(CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001032219073 704621199 /nfs/dbraw/zinc/62/11/99/704621199.db2.gz LZAVIESMLNTBEO-NSHDSACASA-N 0 3 333.392 1.546 20 10 EDCDHN Cn1ccnc1[C@H](O)C1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000093455003 237023999 /nfs/dbraw/zinc/02/39/99/237023999.db2.gz FXHQIFYWNQTLTR-QGZVFWFLSA-N 0 3 345.399 1.800 20 10 EDCDHN COc1ccc(N2CCN(C(=O)C3CCN(C)CC3)CC2)cc1F ZINC000084814908 441423312 /nfs/dbraw/zinc/42/33/12/441423312.db2.gz FBKVGFARPCFPSK-UHFFFAOYSA-N 0 3 335.423 1.825 20 10 EDCDHN CSCC[C@H](N)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000163884417 442184818 /nfs/dbraw/zinc/18/48/18/442184818.db2.gz KJVHPMVLMXBCGR-INIZCTEOSA-N 0 3 337.489 1.562 20 10 EDCDHN CN(C)c1ccc(CN(C)C(=O)CN2CC[C@H](N3CCCC3)C2)cc1 ZINC000170739224 442255922 /nfs/dbraw/zinc/25/59/22/442255922.db2.gz KSIQBEFPSJQFBA-IBGZPJMESA-N 0 3 344.503 1.881 20 10 EDCDHN COCCCN(C)CCNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000266517013 443152783 /nfs/dbraw/zinc/15/27/83/443152783.db2.gz NEAKGKZIFYCZFU-UHFFFAOYSA-N 0 3 336.480 1.862 20 10 EDCDHN COc1ccc(O)c(CN2CC[C@@H](N(C)Cc3nccc(N)n3)C2)c1 ZINC000275644683 443635358 /nfs/dbraw/zinc/63/53/58/443635358.db2.gz KGXWKWPAYDSAFZ-CQSZACIVSA-N 0 3 343.431 1.479 20 10 EDCDHN CN(C)c1ccc(CNC(=O)CN[C@@H]2[C@H]3CCO[C@H]3C2(C)C)cc1 ZINC000296369152 444224170 /nfs/dbraw/zinc/22/41/70/444224170.db2.gz SMKSDZFHRXXUMR-KBAYOESNSA-N 0 3 331.460 1.772 20 10 EDCDHN CC[C@H]([NH2+][C@H]1CCN(CCN2CCOCC2)C1)c1ccccc1[O-] ZINC000363704632 445870636 /nfs/dbraw/zinc/87/06/36/445870636.db2.gz HQYASNGZPPHQRZ-WMZOPIPTSA-N 0 3 333.476 1.839 20 10 EDCDHN COc1ccc(N2CCCN(C[C@@H](O)Cn3cccn3)CC2)cc1 ZINC000364632763 445939718 /nfs/dbraw/zinc/93/97/18/445939718.db2.gz UHFPJRQGVMUMPJ-QGZVFWFLSA-N 0 3 330.432 1.465 20 10 EDCDHN CCc1nnc2n1C[C@@H]([NH2+]Cc1cc(OC)c(OC)cc1[O-])CC2 ZINC000362036206 446170760 /nfs/dbraw/zinc/17/07/60/446170760.db2.gz FPZSUQHLPWUROK-LBPRGKRZSA-N 0 3 332.404 1.668 20 10 EDCDHN CC[C@H]1C[N@H+](Cc2cc3c(cc2[O-])OCO3)C[C@@H]1N1CCOCC1 ZINC000367479945 446552094 /nfs/dbraw/zinc/55/20/94/446552094.db2.gz ZVQZNPVTDZBEEB-ZFWWWQNUSA-N 0 3 334.416 1.664 20 10 EDCDHN CC[C@H]1C[N@@H+](Cc2cc3c(cc2[O-])OCO3)C[C@@H]1N1CCOCC1 ZINC000367479945 446552101 /nfs/dbraw/zinc/55/21/01/446552101.db2.gz ZVQZNPVTDZBEEB-ZFWWWQNUSA-N 0 3 334.416 1.664 20 10 EDCDHN Cc1cc(O)c(CN2CCO[C@H](CN3CCN(C)CC3)C2)cc1C ZINC000371381895 446821813 /nfs/dbraw/zinc/82/18/13/446821813.db2.gz GNPVGFSECBDDER-GOSISDBHSA-N 0 3 333.476 1.457 20 10 EDCDHN COc1ccc([O-])c([C@H](C)[N@@H+]2C[C@@H](C)[C@H](C(=O)N3CCOCC3)C2)c1 ZINC000377627933 447255853 /nfs/dbraw/zinc/25/58/53/447255853.db2.gz PSTDNFRQHNASCZ-JKIFEVAISA-N 0 3 348.443 1.889 20 10 EDCDHN COc1ccc([O-])c([C@H](C)[N@H+]2C[C@@H](C)[C@H](C(=O)N3CCOCC3)C2)c1 ZINC000377627933 447255856 /nfs/dbraw/zinc/25/58/56/447255856.db2.gz PSTDNFRQHNASCZ-JKIFEVAISA-N 0 3 348.443 1.889 20 10 EDCDHN COCCNCCNC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000582553828 448272683 /nfs/dbraw/zinc/27/26/83/448272683.db2.gz VTPAKKZNFSVQQE-UHFFFAOYSA-N 0 3 347.459 1.870 20 10 EDCDHN CCCOc1ccc(C[N@H+](C)C[C@@H](O)CN2CCOCC2)c([O-])c1 ZINC000093583838 528661463 /nfs/dbraw/zinc/66/14/63/528661463.db2.gz NCKXXWHXEWIWMH-MRXNPFEDSA-N 0 3 338.448 1.306 20 10 EDCDHN CCCOc1ccc(C[N@@H+](C)C[C@@H](O)CN2CCOCC2)c([O-])c1 ZINC000093583838 528661469 /nfs/dbraw/zinc/66/14/69/528661469.db2.gz NCKXXWHXEWIWMH-MRXNPFEDSA-N 0 3 338.448 1.306 20 10 EDCDHN Cc1nnc2n1C[C@H](NCc1ccc(N3CCOCC3)c(F)c1)CC2 ZINC000727469741 578529641 /nfs/dbraw/zinc/52/96/41/578529641.db2.gz FAPWEHVGTDVOFD-OAHLLOKOSA-N 0 3 345.422 1.667 20 10 EDCDHN O=C(CC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1)N1CCOCC1 ZINC000731844443 578681260 /nfs/dbraw/zinc/68/12/60/578681260.db2.gz HUOQIKCKCHHYKO-KRWDZBQOSA-N 0 3 348.443 1.622 20 10 EDCDHN O=C(CC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1)N1CCOCC1 ZINC000731844443 578681261 /nfs/dbraw/zinc/68/12/61/578681261.db2.gz HUOQIKCKCHHYKO-KRWDZBQOSA-N 0 3 348.443 1.622 20 10 EDCDHN Cc1ccc(O)c(CNCCNS(=O)(=O)Cc2ccccc2)c1 ZINC000733325343 578759458 /nfs/dbraw/zinc/75/94/58/578759458.db2.gz JEXCCNJJDDSTOO-UHFFFAOYSA-N 0 3 334.441 1.910 20 10 EDCDHN Cc1ccc([O-])c(C[NH2+]CCNS(=O)(=O)Cc2ccccc2)c1 ZINC000733325343 578759460 /nfs/dbraw/zinc/75/94/60/578759460.db2.gz JEXCCNJJDDSTOO-UHFFFAOYSA-N 0 3 334.441 1.910 20 10 EDCDHN CCN1CCN([C@@H](C)C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000756410843 579949595 /nfs/dbraw/zinc/94/95/95/579949595.db2.gz KLKOWACIRVEQDO-KBPBESRZSA-N 0 3 336.436 1.977 20 10 EDCDHN CN(C)c1ccc(CN2CCC[C@H](CNS(C)(=O)=O)C2)cc1 ZINC000772598905 580316513 /nfs/dbraw/zinc/31/65/13/580316513.db2.gz IZTOAQSOICYTDI-OAHLLOKOSA-N 0 3 325.478 1.514 20 10 EDCDHN COc1cccc(O)c1CN1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000772602188 580316616 /nfs/dbraw/zinc/31/66/16/580316616.db2.gz WXNIUIDFZURTKY-GFCCVEGCSA-N 0 3 328.434 1.162 20 10 EDCDHN CCN1CCN(CCC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000775403272 580390203 /nfs/dbraw/zinc/39/02/03/580390203.db2.gz IRTYWNQBGVJOKI-INIZCTEOSA-N 0 3 332.492 1.957 20 10 EDCDHN CC(=O)N1CCC(NC(=O)CN[C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000775833555 580402168 /nfs/dbraw/zinc/40/21/68/580402168.db2.gz DPPRCOORFVOXMW-CQSZACIVSA-N 0 3 346.475 1.530 20 10 EDCDHN C[C@@]1(c2ccc(C[NH2+]Cc3cc(F)ccc3[O-])cc2)NC(=O)NC1=O ZINC000779067879 580478748 /nfs/dbraw/zinc/47/87/48/580478748.db2.gz SDODJFUDVUIXKG-SFHVURJKSA-N 0 3 343.358 1.876 20 10 EDCDHN CCC[C@]1(C)C(=O)NCCN1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000783740779 580605041 /nfs/dbraw/zinc/60/50/41/580605041.db2.gz MOMXGTOQCKZFFR-HXUWFJFHSA-N 0 3 344.503 1.929 20 10 EDCDHN CN1CCN(c2ccc(CN[C@@H](CO)C[C@H](O)C(C)(C)C)cc2)CC1 ZINC000790618507 580773990 /nfs/dbraw/zinc/77/39/90/580773990.db2.gz IJHMNAGMTHALSF-MJGOQNOKSA-N 0 3 349.519 1.686 20 10 EDCDHN CN(C)c1ccc(CNC[C@@H]2CCCCN2S(C)(=O)=O)cc1F ZINC000796513999 580955407 /nfs/dbraw/zinc/95/54/07/580955407.db2.gz SPMOEBOJLJCLID-AWEZNQCLSA-N 0 3 343.468 1.795 20 10 EDCDHN C[C@@H]1C[C@]2(CCO1)CN(Cc1cc3c(cc1O)OC[C@H]3O)C[C@H](C)O2 ZINC000797418376 580975245 /nfs/dbraw/zinc/97/52/45/580975245.db2.gz RZZCQGYPNKNSDE-OESLAJAZSA-N 0 3 349.427 1.976 20 10 EDCDHN CCOc1cccc(C[NH2+][C@H]2CCC[C@@H]2CNS(C)(=O)=O)c1[O-] ZINC000800309045 581050245 /nfs/dbraw/zinc/05/02/45/581050245.db2.gz BVEPTMGIQIXFEB-OCCSQVGLSA-N 0 3 342.461 1.598 20 10 EDCDHN COc1ccc(CN2CCN([C@H]3CCC[C@@H]3O)CC2)c(O)c1OC ZINC000891925029 590691868 /nfs/dbraw/zinc/69/18/68/590691868.db2.gz QSIWPTKRAHBRSZ-GJZGRUSLSA-N 0 3 336.432 1.440 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCCC(=O)N2C)N(C)C)cc1 ZINC000891244311 591014279 /nfs/dbraw/zinc/01/42/79/591014279.db2.gz ZICOKONMMXOYAD-SJORKVTESA-N 0 3 346.475 1.482 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)CCc2ncccn2)N(C)C)cc1 ZINC000891246248 591014685 /nfs/dbraw/zinc/01/46/85/591014685.db2.gz BGRQEERCOGMNNW-QGZVFWFLSA-N 0 3 341.459 1.894 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)c2csc(=O)[nH]2)N(C)C)cc1 ZINC000891247465 591017010 /nfs/dbraw/zinc/01/70/10/591017010.db2.gz HMBFDSBWRRRSEB-CQSZACIVSA-N 0 3 334.445 1.947 20 10 EDCDHN CC(=O)OC(C)(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891248411 591017311 /nfs/dbraw/zinc/01/73/11/591017311.db2.gz LJUSTOJBEFWIGW-MRXNPFEDSA-N 0 3 335.448 1.813 20 10 EDCDHN CSCC[C@H](O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891249368 591018287 /nfs/dbraw/zinc/01/82/87/591018287.db2.gz RSVOWVLENPXPAJ-CVEARBPZSA-N 0 3 339.505 1.586 20 10 EDCDHN Cc1nnc(CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)[nH]1 ZINC000891249846 591018694 /nfs/dbraw/zinc/01/86/94/591018694.db2.gz UDINDKJZCIDETD-HNNXBMFYSA-N 0 3 330.436 1.141 20 10 EDCDHN Cc1nccn1CC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891250296 591019456 /nfs/dbraw/zinc/01/94/56/591019456.db2.gz WIWZIJDSMGLBJV-QGZVFWFLSA-N 0 3 329.448 1.677 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)[C@]2(C)CCC(=O)NC2)N(C)C)cc1 ZINC000891250757 591019836 /nfs/dbraw/zinc/01/98/36/591019836.db2.gz ZQXNSTKGVHWHPK-QFBILLFUSA-N 0 3 346.475 1.388 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cccn(C)c2=O)N(C)C)cc1 ZINC000891252447 591020253 /nfs/dbraw/zinc/02/02/53/591020253.db2.gz LTEWQWFFRNGLNY-QGZVFWFLSA-N 0 3 342.443 1.484 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)Cc2cnn(C)c2)N(C)C)cc1 ZINC000891253383 591021083 /nfs/dbraw/zinc/02/10/83/591021083.db2.gz RZIUFRQACGBUTR-QGZVFWFLSA-N 0 3 329.448 1.448 20 10 EDCDHN Cc1c(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cnn1C ZINC000891256289 591022605 /nfs/dbraw/zinc/02/26/05/591022605.db2.gz XCOAHWYAZHKNLW-QGZVFWFLSA-N 0 3 329.448 1.827 20 10 EDCDHN COC(=O)/C=C\c1ccc(N2CC[C@@H]3CN(C)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000893940003 591144190 /nfs/dbraw/zinc/14/41/90/591144190.db2.gz LXBOHJHSJUUFAG-JZTMSUKMSA-N 0 3 331.372 1.921 20 10 EDCDHN COC(=O)c1c(CNCCC[S@](C)=O)c2cc(F)ccc2n1C ZINC000894283391 591265199 /nfs/dbraw/zinc/26/51/99/591265199.db2.gz DPVKHXDJRNVSLM-QHCPKHFHSA-N 0 3 340.420 1.962 20 10 EDCDHN COC[C@@H]([NH2+]Cc1ccc(OC)c(OC)c1[O-])[C@H]1CCCOC1 ZINC000896063710 591334425 /nfs/dbraw/zinc/33/44/25/591334425.db2.gz IKEOIWIUOYSZHT-UONOGXRCSA-N 0 3 325.405 1.941 20 10 EDCDHN COc1ccc(O)c([C@H](C)NCCS(=O)(=O)N2CCCC2)c1 ZINC000897830440 591687846 /nfs/dbraw/zinc/68/78/46/591687846.db2.gz WNHJRFHSZDAGMG-LBPRGKRZSA-N 0 3 328.434 1.477 20 10 EDCDHN C[C@H](C[C@H](C)O)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899101135 591689794 /nfs/dbraw/zinc/68/97/94/591689794.db2.gz FGBVFDNDZOEVFI-KEYYUXOJSA-N 0 3 336.480 1.814 20 10 EDCDHN C[C@@H]1CCN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)[C@H]1CO ZINC000899100671 591690044 /nfs/dbraw/zinc/69/00/44/591690044.db2.gz CABHJRTZOUDJDX-OLMNPRSZSA-N 0 3 348.491 1.768 20 10 EDCDHN CN(C)c1ccc([C@H](CN2C(=O)N3CC4CC3(C4)C2=O)N(C)C)cc1 ZINC000900185399 591932562 /nfs/dbraw/zinc/93/25/62/591932562.db2.gz MKGGNIHACACFHG-LWGFOQHQSA-N 0 3 342.443 1.782 20 10 EDCDHN CN(C)c1ccc(CN(C)C(=O)C(=O)N2CC[C@@H]3CC[C@@]32CN)cc1 ZINC000904997861 592361885 /nfs/dbraw/zinc/36/18/85/592361885.db2.gz AJIGQUDEKUPSSL-HNAYVOBHSA-N 0 3 344.459 1.051 20 10 EDCDHN [O-]c1cccc2c1[C@H]([NH2+]CC1(N3CCOCC3)CCOCC1)CC2 ZINC000840780851 593044025 /nfs/dbraw/zinc/04/40/25/593044025.db2.gz ORDYNRFMVBIZOK-MRXNPFEDSA-N 0 3 332.444 1.851 20 10 EDCDHN C[C@H]1[C@H](CO)CCCN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000839668847 593357581 /nfs/dbraw/zinc/35/75/81/593357581.db2.gz IILKJHWTEVPVKD-RDJZCZTQSA-N 0 3 333.476 1.804 20 10 EDCDHN COC(=O)[C@@H]1CSCC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000840185949 593364147 /nfs/dbraw/zinc/36/41/47/593364147.db2.gz JIHOWJVRXCOPSP-SMDDNHRTSA-N 0 3 339.413 1.156 20 10 EDCDHN COC(=O)[C@@H]1CSCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000840185949 593364150 /nfs/dbraw/zinc/36/41/50/593364150.db2.gz JIHOWJVRXCOPSP-SMDDNHRTSA-N 0 3 339.413 1.156 20 10 EDCDHN COC(=O)[C@@H](NC(=O)CN[C@@H](C)c1ccc(N(C)C)cc1)C(C)C ZINC000809980148 593373707 /nfs/dbraw/zinc/37/37/07/593373707.db2.gz KCNFBXCCMUYRSJ-GUYCJALGSA-N 0 3 335.448 1.717 20 10 EDCDHN CC(C)(C(N)=O)N1CCN(Cc2ccc3ccccc3c2O)CC1 ZINC000816515549 593528791 /nfs/dbraw/zinc/52/87/91/593528791.db2.gz CUJWOCNMUQAIQR-UHFFFAOYSA-N 0 3 327.428 1.927 20 10 EDCDHN Cc1cc(CN2CCC([C@@]3(C)NC(=O)NC3=O)CC2)ccc1N(C)C ZINC000815060597 593612714 /nfs/dbraw/zinc/61/27/14/593612714.db2.gz WXJBWVXICUEBQU-LJQANCHMSA-N 0 3 344.459 1.871 20 10 EDCDHN Cn1ncc(CNCc2ccc(N3CCN(CC4CC4)CC3)cc2)n1 ZINC000815133479 593617292 /nfs/dbraw/zinc/61/72/92/593617292.db2.gz JYYUINNWSTYNGC-UHFFFAOYSA-N 0 3 340.475 1.637 20 10 EDCDHN CCOC(=O)[C@@H]1NCC[C@H]1N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000817934623 593650053 /nfs/dbraw/zinc/65/00/53/593650053.db2.gz LKSDTFDHZNCNRA-BMGDILEWSA-N 0 3 333.476 1.875 20 10 EDCDHN C[C@@H](N[C@@H]1CCC(=O)N(C)C1=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000818360716 593694448 /nfs/dbraw/zinc/69/44/48/593694448.db2.gz BRWHZSARQNIGLG-IUODEOHRSA-N 0 3 349.406 1.460 20 10 EDCDHN O[C@H](CNCc1ccc(N2CCOCC2)c(F)c1)Cn1cccn1 ZINC000818967310 593730872 /nfs/dbraw/zinc/73/08/72/593730872.db2.gz SOXWXWWTEQIJEV-OAHLLOKOSA-N 0 3 334.395 1.010 20 10 EDCDHN NC(=O)[C@@H]1CCCN(c2ccc(CNC[C@@H](O)C(F)(F)F)cc2)C1 ZINC000818967880 593730949 /nfs/dbraw/zinc/73/09/49/593730949.db2.gz DMMKQLATHYASTF-TZMCWYRMSA-N 0 3 345.365 1.401 20 10 EDCDHN CC(C)OC[C@@H](O)CNCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000819122122 593740070 /nfs/dbraw/zinc/74/00/70/593740070.db2.gz QYWXDQFCRQFFIT-INIZCTEOSA-N 0 3 340.439 1.662 20 10 EDCDHN CS[C@@H]1CC[C@@H]1NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000822455352 594051070 /nfs/dbraw/zinc/05/10/70/594051070.db2.gz DLJXVVAMABXUOC-JKSUJKDBSA-N 0 3 340.514 1.905 20 10 EDCDHN COC1CCN(c2ccc(CN3CC[C@H](CO)[C@@H](O)C3)cc2)CC1 ZINC000829159071 594575306 /nfs/dbraw/zinc/57/53/06/594575306.db2.gz KLPXWCYHLKSQEA-APWZRJJASA-N 0 3 334.460 1.477 20 10 EDCDHN CCN(CC)C(=O)CCCC(=O)NC[C@H](N)c1ccc(N(C)C)cc1 ZINC000832279622 594739945 /nfs/dbraw/zinc/73/99/45/594739945.db2.gz KWRKAILNCDPNQI-KRWDZBQOSA-N 0 3 348.491 1.907 20 10 EDCDHN O=C(NC[C@@H]1CNCCO1)N(Cc1ccco1)Cc1ccccc1O ZINC000842011956 595002429 /nfs/dbraw/zinc/00/24/29/595002429.db2.gz SVDMFSPTIJOMNR-INIZCTEOSA-N 0 3 345.399 1.685 20 10 EDCDHN CCCN(CC(=O)NCCCN1CCCC1=O)Cc1ccccc1O ZINC000104682361 595056101 /nfs/dbraw/zinc/05/61/01/595056101.db2.gz ZQDXEWDVVDBEML-UHFFFAOYSA-N 0 3 347.459 1.733 20 10 EDCDHN C[C@@H]1CCn2ncc(C(=O)NC[C@H](N)c3ccc(N(C)C)cc3)c2C1 ZINC000843296574 595065389 /nfs/dbraw/zinc/06/53/89/595065389.db2.gz BEXHVAQWCUOOJM-DYVFJYSZSA-N 0 3 341.459 1.961 20 10 EDCDHN C[C@@H]1C(=O)N(CCN(C)C)CN1C/C=C/c1ccc(N(C)C)cc1 ZINC000843429427 595108865 /nfs/dbraw/zinc/10/88/65/595108865.db2.gz VNGAXGLKUBJMED-FYCOFBDGSA-N 0 3 330.476 1.818 20 10 EDCDHN CCN1C[C@H](N[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)CC1=O ZINC000834889263 595237005 /nfs/dbraw/zinc/23/70/05/595237005.db2.gz HDKGVVUSVXASGW-DZGCQCFKSA-N 0 3 335.423 1.934 20 10 EDCDHN CCN(CC)c1ccc(CN(C)CC(=O)N2CCNCC2)cc1F ZINC000843046893 595273176 /nfs/dbraw/zinc/27/31/76/595273176.db2.gz HUSBUDIIDONWOM-UHFFFAOYSA-N 0 3 336.455 1.536 20 10 EDCDHN CCc1cccc(C[NH2+]CC2(N3CCOCC3)CCOCC2)c1[O-] ZINC000848917419 595467242 /nfs/dbraw/zinc/46/72/42/595467242.db2.gz SUELVLLAGSVYQE-UHFFFAOYSA-N 0 3 334.460 1.926 20 10 EDCDHN COc1ccc(N2CC[C@H](NC(=S)NC3CCN(C)CC3)C2)cc1 ZINC000849270318 595499198 /nfs/dbraw/zinc/49/91/98/595499198.db2.gz BKNZBUZTYQJEBU-HNNXBMFYSA-N 0 3 348.516 1.832 20 10 EDCDHN Cc1cc(CS(=O)(=O)NC[C@H](N)c2ccc(N(C)C)cc2)no1 ZINC000850586756 595538943 /nfs/dbraw/zinc/53/89/43/595538943.db2.gz FKHVKJNSSZMODE-HNNXBMFYSA-N 0 3 338.433 1.168 20 10 EDCDHN Cc1cc(CS(=O)(=O)[N-]C[C@H]([NH3+])c2ccc(N(C)C)cc2)no1 ZINC000850586756 595538948 /nfs/dbraw/zinc/53/89/48/595538948.db2.gz FKHVKJNSSZMODE-HNNXBMFYSA-N 0 3 338.433 1.168 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNC(=O)c2c(C3CC3)cnn2C)cc1 ZINC000852792434 595544988 /nfs/dbraw/zinc/54/49/88/595544988.db2.gz WBYFQKBFXIQUCM-MRXNPFEDSA-N 0 3 327.432 1.793 20 10 EDCDHN C[C@H]1CCCN(CC(=O)NCc2ccc(N(C)C)cc2)[C@H]1CCO ZINC000852456850 596170551 /nfs/dbraw/zinc/17/05/51/596170551.db2.gz LXKFJDMBNFZDGC-YJBOKZPZSA-N 0 3 333.476 1.852 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@H]1[C@@H](C)[C@@H](C)O[C@H]1C)cc2=O ZINC000859827995 596203846 /nfs/dbraw/zinc/20/38/46/596203846.db2.gz VMKPJVUPPFZVBN-DDIVZENXSA-N 0 3 348.403 1.513 20 10 EDCDHN COc1ccc(CNC(=O)NC2CCN([C@@H]3CCOC3)CC2)c(O)c1 ZINC000852640014 596216647 /nfs/dbraw/zinc/21/66/47/596216647.db2.gz YRMNOSDERBHJEP-OAHLLOKOSA-N 0 3 349.431 1.453 20 10 EDCDHN CN(C)c1ccc(CN(C)C(=O)CN2CC[C@H]3COC[C@H]3C2)cc1 ZINC000852669121 596224191 /nfs/dbraw/zinc/22/41/91/596224191.db2.gz MMWJPEZVWKGCSI-DLBZAZTESA-N 0 3 331.460 1.679 20 10 EDCDHN CCN(CCN)C(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000863751325 596673381 /nfs/dbraw/zinc/67/33/81/596673381.db2.gz GVTKRUXQUVRGOZ-UHFFFAOYSA-N 0 3 334.464 1.297 20 10 EDCDHN C[C@@H](NC(=O)C(=O)Nc1cccc2c1CCNC2)c1ccccc1O ZINC000868310717 596783411 /nfs/dbraw/zinc/78/34/11/596783411.db2.gz WAYUTKLHUIJABX-GFCCVEGCSA-N 0 3 339.395 1.854 20 10 EDCDHN C[C@](O)(C[C@H](O)CNCc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000872200088 596832490 /nfs/dbraw/zinc/83/24/90/596832490.db2.gz SXLWZWPAJZKZDF-OALUTQOASA-N 0 3 334.460 1.525 20 10 EDCDHN CO[C@@]1(CNCc2cc(F)c(N3CCOCC3)c(F)c2)CCOC1 ZINC000877582268 597538411 /nfs/dbraw/zinc/53/84/11/597538411.db2.gz OYGNMLSDQICVMC-QGZVFWFLSA-N 0 3 342.386 1.697 20 10 EDCDHN COc1cc(Cl)cc(C[NH+]2C[C@@]3(C)C(=O)NC(=O)[C@]3(C)C2)c1[O-] ZINC000877668603 597546346 /nfs/dbraw/zinc/54/63/46/597546346.db2.gz SAOXRVQXNDJKFK-HOTGVXAUSA-N 0 3 338.791 1.539 20 10 EDCDHN CC(C)[C@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)CCN1C ZINC000879601983 597653567 /nfs/dbraw/zinc/65/35/67/597653567.db2.gz ZWYQIFADTRMRLU-GOSISDBHSA-N 0 3 332.492 1.641 20 10 EDCDHN CN(Cc1ccccc1)C(=O)CNC(=O)CNCc1ccccc1O ZINC000922765357 704323469 /nfs/dbraw/zinc/32/34/69/704323469.db2.gz YVJATXQPPFPHAE-UHFFFAOYSA-N 0 3 341.411 1.257 20 10 EDCDHN c1cc(N2CCOCC2)ccc1CNC[C@@H]1CN(C2CC2)CCO1 ZINC000106380089 237091067 /nfs/dbraw/zinc/09/10/67/237091067.db2.gz YKCBLNRKAAAVSF-LJQANCHMSA-N 0 3 331.460 1.476 20 10 EDCDHN CCS(=O)(=O)N1CCC([NH2+][C@H](C)c2cc(F)ccc2[O-])CC1 ZINC000176982107 237365204 /nfs/dbraw/zinc/36/52/04/237365204.db2.gz VOZSITGNLDEXBI-LLVKDONJSA-N 0 3 330.425 1.996 20 10 EDCDHN C[C@H]1CN(C[C@H]2CN(C)CCO2)CCN1Cc1ccc(N(C)C)cc1 ZINC000372416649 250218865 /nfs/dbraw/zinc/21/88/65/250218865.db2.gz PXPBUXQKAFITBB-FXAWDEMLSA-N 0 3 346.519 1.589 20 10 EDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C2CCN(c3nnnn3C)CC2)c1 ZINC000370374677 250205762 /nfs/dbraw/zinc/20/57/62/250205762.db2.gz OFKDPQIETOXJJH-LLVKDONJSA-N 0 3 332.408 1.244 20 10 EDCDHN CCCn1nc2c(cc1=O)CN(Cc1cc(OC)ccc1O)CC2 ZINC000375012580 250277053 /nfs/dbraw/zinc/27/70/53/250277053.db2.gz LXEYNENYVPYIRC-UHFFFAOYSA-N 0 3 329.400 1.926 20 10 EDCDHN CCN(CC)c1ccc(CNC(=O)C(C)S(C)(=O)=O)cc1F ZINC000066841554 441573514 /nfs/dbraw/zinc/57/35/14/441573514.db2.gz ZRWLQFDQZAVOAY-NSHDSACASA-N 0 3 330.425 1.721 20 10 EDCDHN COc1ccc(N2CCN(C(=O)[C@]3(F)CCNC3)CC2)cc1F ZINC000178867925 442507837 /nfs/dbraw/zinc/50/78/37/442507837.db2.gz NUAWHWDSCKUEHF-INIZCTEOSA-N 0 3 325.359 1.185 20 10 EDCDHN Cc1ccc(C(=O)N2CCC(OCCC[NH+](C)C)CC2)c([O-])c1O ZINC000179536468 442472787 /nfs/dbraw/zinc/47/27/87/442472787.db2.gz UBBJAZVRPCRICB-UHFFFAOYSA-N 0 3 336.432 1.979 20 10 EDCDHN CN1CCC([NH+]2CCC(NC(=O)c3cccc(O)c3[O-])CC2)CC1 ZINC000192993992 442704074 /nfs/dbraw/zinc/70/40/74/442704074.db2.gz MDNBUDGHAFMINS-UHFFFAOYSA-N 0 3 333.432 1.386 20 10 EDCDHN COc1ccc(N2CCN(C(=O)CN3CC[C@@H]([C@H](C)O)C3)CC2)cc1 ZINC000183162428 442891996 /nfs/dbraw/zinc/89/19/96/442891996.db2.gz BNRQRNUKIGCKCM-JKSUJKDBSA-N 0 3 347.459 1.047 20 10 EDCDHN CCC[C@H](N)C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000236887813 443150943 /nfs/dbraw/zinc/15/09/43/443150943.db2.gz QUCXRGJRHQPXDH-INIZCTEOSA-N 0 3 336.455 1.711 20 10 EDCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CC(=O)N(CCN3CCOCC3)C2)c1 ZINC000186063472 443305107 /nfs/dbraw/zinc/30/51/07/443305107.db2.gz MFJYQTFVUSEQGZ-HZPDHXFCSA-N 0 3 347.459 1.284 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN(C)CCCCCO)cc2=O ZINC000278819371 443452076 /nfs/dbraw/zinc/45/20/76/443452076.db2.gz HJWOSNSHGPPWGP-UHFFFAOYSA-N 0 3 336.392 1.206 20 10 EDCDHN COc1cccc(CN[C@@H]2CCCN(c3nccn(C)c3=O)C2)c1O ZINC000275574654 443631716 /nfs/dbraw/zinc/63/17/16/443631716.db2.gz OPDCTSZLKIMARI-CQSZACIVSA-N 0 3 344.415 1.253 20 10 EDCDHN CCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@H](N(C)C)C1 ZINC000298626629 443821388 /nfs/dbraw/zinc/82/13/88/443821388.db2.gz JLTUBTQUMHDOTO-HNNXBMFYSA-N 0 3 333.432 1.293 20 10 EDCDHN CCCN(Cc1ccccc1O)C(=O)C(=O)N1C[C@@H](C)[C@@H](N(C)C)C1 ZINC000298635312 443824354 /nfs/dbraw/zinc/82/43/54/443824354.db2.gz KHKFWVMMKMNTFC-ZBFHGGJFSA-N 0 3 347.459 1.539 20 10 EDCDHN Cc1cc(CN2CCC(CNS(C)(=O)=O)CC2)ccc1N(C)C ZINC000293681840 444084008 /nfs/dbraw/zinc/08/40/08/444084008.db2.gz VQWZXPKWZPITIV-UHFFFAOYSA-N 0 3 339.505 1.822 20 10 EDCDHN COc1cccc(C[N@@H+]2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)c1[O-] ZINC000289268539 444092360 /nfs/dbraw/zinc/09/23/60/444092360.db2.gz GCMZEYPWYGXIJY-YVEFUNNKSA-N 0 3 333.388 1.353 20 10 EDCDHN COc1cccc(C[N@H+]2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)c1[O-] ZINC000289268539 444092363 /nfs/dbraw/zinc/09/23/63/444092363.db2.gz GCMZEYPWYGXIJY-YVEFUNNKSA-N 0 3 333.388 1.353 20 10 EDCDHN [O-]c1cc2c(cc1C[NH2+][C@@H](C1CC1)C1(CO)CCOCC1)OCO2 ZINC000293959480 444097913 /nfs/dbraw/zinc/09/79/13/444097913.db2.gz JIQSJQQGDQSVKU-KRWDZBQOSA-N 0 3 335.400 1.778 20 10 EDCDHN C[N@@H+](Cc1cc(F)ccc1[O-])C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000295170296 444167865 /nfs/dbraw/zinc/16/78/65/444167865.db2.gz UENCQKQZPRFVBL-ZDUSSCGKSA-N 0 3 328.384 1.849 20 10 EDCDHN C[N@H+](Cc1cc(F)ccc1[O-])C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000295170296 444167866 /nfs/dbraw/zinc/16/78/66/444167866.db2.gz UENCQKQZPRFVBL-ZDUSSCGKSA-N 0 3 328.384 1.849 20 10 EDCDHN O=C(NC1CCN(Cc2cc3c(cc2O)OCO3)CC1)c1ccc[nH]1 ZINC000365103858 446026949 /nfs/dbraw/zinc/02/69/49/446026949.db2.gz DLKCAKLFJAVBOS-UHFFFAOYSA-N 0 3 343.383 1.843 20 10 EDCDHN CCN1CCO[C@@H](CN2CCN(Cc3ccc(N(C)C)cc3)CC2)C1 ZINC000371377885 446816791 /nfs/dbraw/zinc/81/67/91/446816791.db2.gz GGGVZPJRMJNVAK-HXUWFJFHSA-N 0 3 346.519 1.591 20 10 EDCDHN COC(=O)CC[C@H](N)C(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000377531806 447185808 /nfs/dbraw/zinc/18/58/08/447185808.db2.gz YKNCCLZDTBNHBP-INIZCTEOSA-N 0 3 349.431 1.014 20 10 EDCDHN COCCN(C)CCNC(=O)NCc1c(C)c2ccccc2n1C ZINC000471809729 447814340 /nfs/dbraw/zinc/81/43/40/447814340.db2.gz MLWFLRKIZDQCMO-UHFFFAOYSA-N 0 3 332.448 1.864 20 10 EDCDHN CCCOc1ccc(CN2CCc3nn(C)c(=O)cc3C2)c(O)c1 ZINC000093756609 528664870 /nfs/dbraw/zinc/66/48/70/528664870.db2.gz FJWXDRUNQNSPAZ-UHFFFAOYSA-N 0 3 329.400 1.833 20 10 EDCDHN COc1ccc(N2CCN(C(=O)CN3CC[C@@H](CCO)C3)CC2)cc1 ZINC000741800662 579429299 /nfs/dbraw/zinc/42/92/99/579429299.db2.gz ZNASSXMZVRBCCU-INIZCTEOSA-N 0 3 347.459 1.048 20 10 EDCDHN C[C@@H](NC(=O)NC[C@@H]1CCCN1C)c1ccc(N2CCOCC2)cc1 ZINC000726243083 578337560 /nfs/dbraw/zinc/33/75/60/578337560.db2.gz FPYMJKOOLQFECP-QAPCUYQASA-N 0 3 346.475 1.978 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN(C[C@H](C)O)C(C)C)cc2=O ZINC000730419225 578647820 /nfs/dbraw/zinc/64/78/20/578647820.db2.gz GSSDKYOPGUTTNM-NSHDSACASA-N 0 3 336.392 1.203 20 10 EDCDHN CN(C)C(=O)CCN1CCC(NC(=O)NCc2ccccc2O)CC1 ZINC000731544343 578675901 /nfs/dbraw/zinc/67/59/01/578675901.db2.gz KJVJQGZNEDUZON-UHFFFAOYSA-N 0 3 348.447 1.134 20 10 EDCDHN COc1cc(Cl)cc(C[NH2+]CCCN(C)S(C)(=O)=O)c1[O-] ZINC000761198868 580051155 /nfs/dbraw/zinc/05/11/55/580051155.db2.gz WLUDSYAJRPMPOU-UHFFFAOYSA-N 0 3 336.841 1.425 20 10 EDCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCCN2CCCS2(=O)=O)c1 ZINC000756686631 579954892 /nfs/dbraw/zinc/95/48/92/579954892.db2.gz JHVSFAFBPKUFJF-LBPRGKRZSA-N 0 3 328.434 1.477 20 10 EDCDHN COC[C@@](C)(CC(=O)OC)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000757922578 579973097 /nfs/dbraw/zinc/97/30/97/579973097.db2.gz DBHXGZYJKGTWLV-LJQANCHMSA-N 0 3 349.475 1.496 20 10 EDCDHN Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@]2(O)CCN(C)C2)cc1 ZINC000762721417 580081458 /nfs/dbraw/zinc/08/14/58/580081458.db2.gz LJVRAGKSKYQPCO-IBGZPJMESA-N 0 3 327.428 1.891 20 10 EDCDHN CN1CCN(c2ccc(CN3CCN4C(=O)OCC[C@@H]4C3)cc2)CC1 ZINC000775743952 580399354 /nfs/dbraw/zinc/39/93/54/580399354.db2.gz HVHIERLZHBCUMR-GOSISDBHSA-N 0 3 344.459 1.465 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)c2cc(CO)on2)N(C)C)cc1 ZINC000891246227 591015539 /nfs/dbraw/zinc/01/55/39/591015539.db2.gz AVPAKSVKOYHTAU-INIZCTEOSA-N 0 3 332.404 1.266 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)CCc2ccnn2C)N(C)C)cc1 ZINC000891249463 591017816 /nfs/dbraw/zinc/01/78/16/591017816.db2.gz STSQXTIYMZVEEX-SFHVURJKSA-N 0 3 343.475 1.838 20 10 EDCDHN [NH3+][C@H]1C[C@H](CNC(=O)NCc2cc(Br)ccc2[O-])C1 ZINC000892567414 591075651 /nfs/dbraw/zinc/07/56/51/591075651.db2.gz RQAYWXMVOJOFSI-JLIMDTESSA-N 0 3 328.210 1.691 20 10 EDCDHN COC(=O)[C@]1(O)CCN(Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000895702567 591254235 /nfs/dbraw/zinc/25/42/35/591254235.db2.gz QQNQVRSBLPRPBV-SFHVURJKSA-N 0 3 337.416 1.808 20 10 EDCDHN Cc1cc(Br)cc(C[NH2+][C@H]2CS(=O)(=O)C[C@H]2C)c1[O-] ZINC000895798022 591275682 /nfs/dbraw/zinc/27/56/82/591275682.db2.gz WKBUDGFSZRYXJK-SKDRFNHKSA-N 0 3 348.262 1.986 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)NC[C@@H]2CC[C@@H](O)C2)N(C)C)cc1 ZINC000899103619 591683510 /nfs/dbraw/zinc/68/35/10/591683510.db2.gz NKQOMYAMCLORTA-OLMNPRSZSA-N 0 3 348.491 1.816 20 10 EDCDHN COc1ccc(C[NH2+]C[C@@]2(c3cnn(C)c3)CCCO2)c([O-])c1OC ZINC000898050414 591755382 /nfs/dbraw/zinc/75/53/82/591755382.db2.gz UXQYGZAHJQVGSB-GOSISDBHSA-N 0 3 347.415 1.938 20 10 EDCDHN Cc1ccc([O-])c(C[NH2+][C@H](C)C2CCN(S(C)(=O)=O)CC2)c1 ZINC000895583753 591809987 /nfs/dbraw/zinc/80/99/87/591809987.db2.gz ZIJUBOSLOUCMMW-CYBMUJFWSA-N 0 3 326.462 1.850 20 10 EDCDHN CC[C@H]([NH2+]C[C@@]1(OC)CCS(=O)(=O)C1)c1ccc(C)cc1[O-] ZINC000903363391 592159143 /nfs/dbraw/zinc/15/91/43/592159143.db2.gz NTMPYPYDCUGYJV-HOCLYGCPSA-N 0 3 327.446 1.945 20 10 EDCDHN COc1ccc(O)c([C@@H](C)NC[C@@]2(OC)CCS(=O)(=O)C2)c1 ZINC000903364973 592159714 /nfs/dbraw/zinc/15/97/14/592159714.db2.gz GCGXISXBEKBXQS-ABAIWWIYSA-N 0 3 329.418 1.255 20 10 EDCDHN COc1cccc(CNC(=O)CCCN2CCN(C(C)C)CC2)c1O ZINC000901127549 592243238 /nfs/dbraw/zinc/24/32/38/592243238.db2.gz KOINAUDLAMEQCK-UHFFFAOYSA-N 0 3 349.475 1.823 20 10 EDCDHN COc1cc(Br)cc(CN2CCC[C@@]([NH3+])(CO)C2)c1[O-] ZINC000904403017 592250817 /nfs/dbraw/zinc/25/08/17/592250817.db2.gz ZAYVFCIKNBGGFZ-AWEZNQCLSA-N 0 3 345.237 1.449 20 10 EDCDHN CN(C)c1ccc(CN(C[C@@H](O)C[C@]2(O)CCOC2)C2CC2)cc1 ZINC000905916229 592680982 /nfs/dbraw/zinc/68/09/82/592680982.db2.gz VGAHWMGFVXNKJR-RBUKOAKNSA-N 0 3 334.460 1.619 20 10 EDCDHN CCCCS(=O)(=O)CC(=O)NC[C@H](N)c1ccc(N(C)C)cc1 ZINC000911666259 592973604 /nfs/dbraw/zinc/97/36/04/592973604.db2.gz HVEXUJOYKBNTOC-HNNXBMFYSA-N 0 3 341.477 1.084 20 10 EDCDHN CC(C)Nc1nc(NCCO)nc(NCc2ccc(N(C)C)cc2)n1 ZINC000804332074 593405085 /nfs/dbraw/zinc/40/50/85/593405085.db2.gz WSDSWWGFAFNRTK-UHFFFAOYSA-N 0 3 345.451 1.774 20 10 EDCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN(S(=O)(=O)N(C)C)C2)c([O-])c1 ZINC000806170124 593431414 /nfs/dbraw/zinc/43/14/14/593431414.db2.gz ONICNCADOAWJHG-UONOGXRCSA-N 0 3 341.477 1.622 20 10 EDCDHN COc1ccc(N2CCN(C(=O)CN3CC[C@H](O)C3(C)C)CC2)cc1 ZINC000812864278 593511186 /nfs/dbraw/zinc/51/11/86/593511186.db2.gz CWVSWLHFSWSDBV-KRWDZBQOSA-N 0 3 347.459 1.189 20 10 EDCDHN COc1cccc([O-])c1C[NH2+]C[C@@H](O)CN1CCc2ccccc2C1 ZINC000815156945 593618491 /nfs/dbraw/zinc/61/84/91/593618491.db2.gz VMPQDHRWRAQZJO-QGZVFWFLSA-N 0 3 342.439 1.910 20 10 EDCDHN CCOC(=O)[C@@H]1NCC[C@@H]1N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000817934625 593650315 /nfs/dbraw/zinc/65/03/15/593650315.db2.gz LKSDTFDHZNCNRA-JCGIZDLHSA-N 0 3 333.476 1.875 20 10 EDCDHN COC1CCN(c2ccc(CN[C@H]3C(=O)NCC[C@@H]3C)cc2)CC1 ZINC000829463312 594618775 /nfs/dbraw/zinc/61/87/75/594618775.db2.gz JSBJYBUMSRQJOZ-KBXCAEBGSA-N 0 3 331.460 1.916 20 10 EDCDHN CC1(C)CN[C@H]1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000827369634 594665699 /nfs/dbraw/zinc/66/56/99/594665699.db2.gz GZZPRXFVRRRPSZ-INIZCTEOSA-N 0 3 335.423 1.401 20 10 EDCDHN CCC[C@](C)(N)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000827469284 594675148 /nfs/dbraw/zinc/67/51/48/594675148.db2.gz TUBJVWDYHGOGPP-KXBFYZLASA-N 0 3 346.475 1.522 20 10 EDCDHN C[C@H](OC[C@H]1CCCCO1)C(=O)NC[C@H](N)c1ccc(N(C)C)cc1 ZINC000832281624 594740056 /nfs/dbraw/zinc/74/00/56/594740056.db2.gz VCICZQFSVNVAOG-QGTPRVQTSA-N 0 3 349.475 1.843 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNC(=O)c2ccc3c(c2)OCO3)cc1 ZINC000832284337 594740183 /nfs/dbraw/zinc/74/01/83/594740183.db2.gz IXVNQBFZPUDEAD-OAHLLOKOSA-N 0 3 327.384 1.911 20 10 EDCDHN CN(C)c1ccc(CN(C)C(=O)CN2CC[C@H](CCCO)C2)cc1 ZINC000832781361 594776280 /nfs/dbraw/zinc/77/62/80/594776280.db2.gz BJOIICOUQQXDNE-INIZCTEOSA-N 0 3 333.476 1.805 20 10 EDCDHN Cc1cc(N(C)C)ccc1CN1CCN(CCC(=O)N(C)C)CC1 ZINC000840916353 594827371 /nfs/dbraw/zinc/82/73/71/594827371.db2.gz IZTJQQMICUWMPY-UHFFFAOYSA-N 0 3 332.492 1.657 20 10 EDCDHN COC(=O)c1cn([C@H]2CCN(Cc3ccc(N(C)C)cc3C)C2)nn1 ZINC000840939763 594830273 /nfs/dbraw/zinc/83/02/73/594830273.db2.gz PXLOEGPPTUIYTM-INIZCTEOSA-N 0 3 343.431 1.886 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)[C@@H]2Cc3ccccc3CN2)cc1 ZINC000841847109 594964198 /nfs/dbraw/zinc/96/41/98/594964198.db2.gz ZIXRFXDORDIPKO-OALUTQOASA-N 0 3 338.455 1.583 20 10 EDCDHN CN(c1ccc(CNC(=O)C(=O)NCCN)cc1)C1CCCCC1 ZINC000842150493 595023881 /nfs/dbraw/zinc/02/38/81/595023881.db2.gz SUDNCXXLNNIQNX-UHFFFAOYSA-N 0 3 332.448 1.147 20 10 EDCDHN COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)C[C@H]1CCC[NH2+]1 ZINC000843489625 595127858 /nfs/dbraw/zinc/12/78/58/595127858.db2.gz QPLGHOIYWNNEDT-CYBMUJFWSA-N 0 3 340.807 1.689 20 10 EDCDHN CN(C)c1ccc(/C=C\CN[C@@H]2CCCN(S(C)(=O)=O)C2)cc1 ZINC000835037632 595251045 /nfs/dbraw/zinc/25/10/45/595251045.db2.gz RRKYRZGHVHAOAH-DQOPKJQZSA-N 0 3 337.489 1.779 20 10 EDCDHN CN(C)c1ccc(/C=C/CN[C@@H]2CCCN(S(C)(=O)=O)C2)cc1 ZINC000835037634 595251111 /nfs/dbraw/zinc/25/11/11/595251111.db2.gz RRKYRZGHVHAOAH-MQDFFIGUSA-N 0 3 337.489 1.779 20 10 EDCDHN COc1cc(Br)cc(CN2CCO[C@@H]([C@H](C)[NH3+])C2)c1[O-] ZINC000843058110 595276487 /nfs/dbraw/zinc/27/64/87/595276487.db2.gz PNXYUZJNFGRSPD-TVQRCGJNSA-N 0 3 345.237 1.711 20 10 EDCDHN Cn1ccnc1[C@@H]1CNCCN1Cc1ccc(N2CCOCC2)cc1 ZINC000843122295 595292524 /nfs/dbraw/zinc/29/25/24/595292524.db2.gz QIGWFBMECCCKAQ-SFHVURJKSA-N 0 3 341.459 1.403 20 10 EDCDHN COc1ccc(N(C)CCN(C)CCC(=O)N2CCOCC2)cc1 ZINC000844399869 595337467 /nfs/dbraw/zinc/33/74/67/595337467.db2.gz RBUSTKCKVUTNLQ-UHFFFAOYSA-N 0 3 335.448 1.312 20 10 EDCDHN CCc1cccc(C[NH2+]C2CCN(CCS(C)(=O)=O)CC2)c1[O-] ZINC000848894351 595464370 /nfs/dbraw/zinc/46/43/70/595464370.db2.gz DCPWJBDFAMDGEF-UHFFFAOYSA-N 0 3 340.489 1.553 20 10 EDCDHN CC(C(=O)NCc1ccc(N2CCC(C)CC2)cc1)S(C)(=O)=O ZINC000108296030 595488673 /nfs/dbraw/zinc/48/86/73/595488673.db2.gz YOQOIHSPAGMPHK-AWEZNQCLSA-N 0 3 338.473 1.972 20 10 EDCDHN CC1CCN(c2ccc(CNC(=O)C3=NO[C@H](CN)C3)cc2)CC1 ZINC000852866215 595585703 /nfs/dbraw/zinc/58/57/03/595585703.db2.gz GSLLJSWFWHTPLR-INIZCTEOSA-N 0 3 330.432 1.643 20 10 EDCDHN C[C@H]1CC[C@H](NCc2ccc(N3CCOCC3)cc2)CS1(=O)=O ZINC000850367985 595821144 /nfs/dbraw/zinc/82/11/44/595821144.db2.gz GMCAZWQXQDWAAW-HOCLYGCPSA-N 0 3 338.473 1.579 20 10 EDCDHN C[C@H](NC[C@](O)(C(N)=O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000851950863 595983021 /nfs/dbraw/zinc/98/30/21/595983021.db2.gz TUBPRIBLIVICPR-IFXJQAMLSA-N 0 3 327.428 1.776 20 10 EDCDHN COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CCCN3C)C2)cc1 ZINC000852187137 596078048 /nfs/dbraw/zinc/07/80/48/596078048.db2.gz LFAUZIFXYKOCLA-HOCLYGCPSA-N 0 3 332.448 1.667 20 10 EDCDHN COC[C@H](NCC(=O)NCc1ccc(N(C)C)cc1)C1CCOCC1 ZINC000852321350 596125233 /nfs/dbraw/zinc/12/52/33/596125233.db2.gz MBYHTUQPFOYZSZ-SFHVURJKSA-N 0 3 349.475 1.400 20 10 EDCDHN C[C@](O)(C[C@H](O)CNCc1ccc(N2CCC(O)CC2)cc1)C1CC1 ZINC000872215913 596839218 /nfs/dbraw/zinc/83/92/18/596839218.db2.gz LFPOZTRTJJWWEX-PMACEKPBSA-N 0 3 348.487 1.649 20 10 EDCDHN COc1cc(C)cnc1C(=O)NC[C@H](N)c1ccc(N(C)C)cc1 ZINC000876507124 597224295 /nfs/dbraw/zinc/22/42/95/597224295.db2.gz WBQHLQJIHWFEAB-HNNXBMFYSA-N 0 3 328.416 1.894 20 10 EDCDHN NC(=O)c1ccc(CNCc2ccc(N3CCC(O)CC3)cc2)cn1 ZINC000877094322 597430963 /nfs/dbraw/zinc/43/09/63/597430963.db2.gz ZVCNOTUCIRESOF-UHFFFAOYSA-N 0 3 340.427 1.431 20 10 EDCDHN CN(C)c1ccc(CNC(=O)CN2CC[C@H](O)[C@@H]3CCCC[C@@H]32)cc1 ZINC000879417859 597912175 /nfs/dbraw/zinc/91/21/75/597912175.db2.gz BCJVTXQXQCOWSB-QYZOEREBSA-N 0 3 345.487 1.994 20 10 EDCDHN COCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1c([O-])cccc1F ZINC000917830481 697089548 /nfs/dbraw/zinc/08/95/48/697089548.db2.gz YWSQVAWINUCJRF-LBPRGKRZSA-N 0 3 325.384 1.441 20 10 EDCDHN COCC[N@H+]1CCC[C@H]1CNC(=O)NCc1c([O-])cccc1F ZINC000917830481 697089550 /nfs/dbraw/zinc/08/95/50/697089550.db2.gz YWSQVAWINUCJRF-LBPRGKRZSA-N 0 3 325.384 1.441 20 10 EDCDHN CCN1CCC[C@H]1CN1C[C@H](C(=O)Nc2ccc(N)cc2)CC1=O ZINC000269140929 249378381 /nfs/dbraw/zinc/37/83/81/249378381.db2.gz WCSIIVBCLHKKJP-CJNGLKHVSA-N 0 3 330.432 1.540 20 10 EDCDHN CCN(CC)c1ccc(CN2CCCN(CC(=O)NC)CC2)cc1 ZINC000362088693 250177723 /nfs/dbraw/zinc/17/77/23/250177723.db2.gz XIYCGHHZOUJHNR-UHFFFAOYSA-N 0 3 332.492 1.787 20 10 EDCDHN NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1ccc(N2CCOCC2)cc1 ZINC000373737922 250242707 /nfs/dbraw/zinc/24/27/07/250242707.db2.gz MDKFGSMCRYDOQJ-NXHRZFHOSA-N 0 3 329.444 1.609 20 10 EDCDHN COC(=O)[C@]1(C)CN(CC(=O)NCc2ccc(N(C)C)cc2)C[C@H]1C ZINC000374349389 250260913 /nfs/dbraw/zinc/26/09/13/250260913.db2.gz JGBDPANLNGQNSF-AUUYWEPGSA-N 0 3 347.459 1.500 20 10 EDCDHN COCCN(CCN(C)C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000105206716 441241679 /nfs/dbraw/zinc/24/16/79/441241679.db2.gz NAIPLFLNJGOSQD-UHFFFAOYSA-N 0 3 348.491 1.789 20 10 EDCDHN CNC(=O)NC(=O)CCN1CCCN(c2ccc(OC)cc2)CC1 ZINC000052467020 441452113 /nfs/dbraw/zinc/45/21/13/441452113.db2.gz DQFDPRUKGGOMKH-UHFFFAOYSA-N 0 3 334.420 1.053 20 10 EDCDHN CN(CCn1ccc([N+](=O)[O-])n1)Cc1ccc(N2CCOCC2)cc1 ZINC000176198492 442189195 /nfs/dbraw/zinc/18/91/95/442189195.db2.gz VBKBICCCFBSJQX-UHFFFAOYSA-N 0 3 345.403 1.760 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1C[C@H]3CCC[C@@H]3C1)cc2=O ZINC000153198350 442267424 /nfs/dbraw/zinc/26/74/24/442267424.db2.gz DGZLZGAHMNZIKQ-VXGBXAGGSA-N 0 3 330.388 1.844 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN(C)CCN(C)C1CC1)cc2=O ZINC000186741862 442604078 /nfs/dbraw/zinc/60/40/78/442604078.db2.gz KERUDYRFUGYLGS-UHFFFAOYSA-N 0 3 347.419 1.138 20 10 EDCDHN COCCN1CCC(NC(=O)NCc2cccc(OC)c2O)CC1 ZINC000266103701 443018538 /nfs/dbraw/zinc/01/85/38/443018538.db2.gz LCPIBFXZYYSZKS-UHFFFAOYSA-N 0 3 337.420 1.311 20 10 EDCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)c([O-])c1C ZINC000273542093 443578792 /nfs/dbraw/zinc/57/87/92/443578792.db2.gz YLDILGQWASDIOG-ZIAGYGMSSA-N 0 3 326.462 1.941 20 10 EDCDHN Cc1ccc([C@H](C)[NH2+]C[C@@]2(CO)COCC3(CCC3)N2C)c([O-])c1 ZINC000527956549 320530312 /nfs/dbraw/zinc/53/03/12/320530312.db2.gz PYNDAXCJJSGAOS-HNAYVOBHSA-N 0 3 334.460 1.967 20 10 EDCDHN COC(=O)c1cn(CCNCc2ccc(N3CCCCC3)cc2)nn1 ZINC000283951293 443759330 /nfs/dbraw/zinc/75/93/30/443759330.db2.gz KCRHSBGTBPHAJK-UHFFFAOYSA-N 0 3 343.431 1.845 20 10 EDCDHN COc1cc(N(C)C[C@@H]2C[C@H](OC)CN2C)c([N+](=O)[O-])cc1OC ZINC000284437418 443775046 /nfs/dbraw/zinc/77/50/46/443775046.db2.gz BGEBQEARZLTBBP-RYUDHWBXSA-N 0 3 339.392 1.767 20 10 EDCDHN CCOc1cccc(CN2CCC(CNS(C)(=O)=O)CC2)c1O ZINC000289366882 444120148 /nfs/dbraw/zinc/12/01/48/444120148.db2.gz KXOCOVWEEVPLNL-UHFFFAOYSA-N 0 3 342.461 1.552 20 10 EDCDHN CCCOc1ccc(C[N@@H+]2CC[C@](O)(c3nc(C)no3)C2)c([O-])c1 ZINC000290303495 444264489 /nfs/dbraw/zinc/26/44/89/444264489.db2.gz BMYXQGCIKWIRMS-QGZVFWFLSA-N 0 3 333.388 1.966 20 10 EDCDHN CCCOc1ccc(C[N@H+]2CC[C@](O)(c3nc(C)no3)C2)c([O-])c1 ZINC000290303495 444264492 /nfs/dbraw/zinc/26/44/92/444264492.db2.gz BMYXQGCIKWIRMS-QGZVFWFLSA-N 0 3 333.388 1.966 20 10 EDCDHN CCN(C)c1ccc([C@H](C)NC[C@@]2(O)CCS(=O)(=O)C2)cc1 ZINC000296590362 444241379 /nfs/dbraw/zinc/24/13/79/444241379.db2.gz UXNAKJVNLPZAJP-BBRMVZONSA-N 0 3 326.462 1.343 20 10 EDCDHN Cc1c2ccccc2n(C)c1CNC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000350290896 445807829 /nfs/dbraw/zinc/80/78/29/445807829.db2.gz YOTVGFLUEYKOOG-HNNXBMFYSA-N 0 3 344.459 1.959 20 10 EDCDHN O=C1CCCC(=O)N1C1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000364479919 445925907 /nfs/dbraw/zinc/92/59/07/445925907.db2.gz PXFZJABPYJDQOW-UHFFFAOYSA-N 0 3 346.383 1.624 20 10 EDCDHN COc1cccc(CNC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c1O ZINC000369856515 446161452 /nfs/dbraw/zinc/16/14/52/446161452.db2.gz CGMJCBJKOIEXCY-ZIAGYGMSSA-N 0 3 335.404 1.063 20 10 EDCDHN CCN(CC)c1ccc(CNC(=O)[C@@H]2CN3CCN2CCC3)cc1F ZINC000371228325 446703341 /nfs/dbraw/zinc/70/33/41/446703341.db2.gz XCEVPHAUYDIOEY-SFHVURJKSA-N 0 3 348.466 1.678 20 10 EDCDHN [O-]c1cc2c(cc1C[NH2+][C@H]([C@@H]1CCCO1)C1(CO)CCC1)OCO2 ZINC000368225537 446720704 /nfs/dbraw/zinc/72/07/04/446720704.db2.gz IFFYOOXFTYKNSH-WMLDXEAASA-N 0 3 335.400 1.921 20 10 EDCDHN CN1CCC(NC(=O)NCc2ccc(N3CCOCC3)cc2)CC1 ZINC000035839772 523772761 /nfs/dbraw/zinc/77/27/61/523772761.db2.gz XTLZMEPVIBHNJT-UHFFFAOYSA-N 0 3 332.448 1.417 20 10 EDCDHN CN(C)c1ccc(CNC(=O)NC2CCN([C@@H]3CCOC3)CC2)cc1 ZINC000755839273 579936359 /nfs/dbraw/zinc/93/63/59/579936359.db2.gz PFVXEABQQSCULQ-GOSISDBHSA-N 0 3 346.475 1.805 20 10 EDCDHN CC(C)NS(=O)(=O)CC[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756684545 579954874 /nfs/dbraw/zinc/95/48/74/579954874.db2.gz YNFNECGVUORIGB-JQWIXIFHSA-N 0 3 330.425 1.997 20 10 EDCDHN COc1ccc(O)c([C@H](C)N[C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)c1 ZINC000756836605 579957926 /nfs/dbraw/zinc/95/79/26/579957926.db2.gz CEFJAXYUOIMGTL-MKBNYLNASA-N 0 3 344.415 1.979 20 10 EDCDHN COc1ccc(O)c([C@H](C)NCC(=O)N2CCOC[C@H]2C2CC2)c1 ZINC000775377514 580389619 /nfs/dbraw/zinc/38/96/19/580389619.db2.gz GPQPQIUUJQUMTG-LRDDRELGSA-N 0 3 334.416 1.689 20 10 EDCDHN CN(CCN1CCOCC1)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775674646 580396919 /nfs/dbraw/zinc/39/69/19/580396919.db2.gz HHZRNMABEXHKMQ-UHFFFAOYSA-N 0 3 332.492 1.202 20 10 EDCDHN CN1CCN(c2ccc(CN(CCO)Cc3cccnc3)cc2)CC1 ZINC000775677819 580396927 /nfs/dbraw/zinc/39/69/27/580396927.db2.gz RLVXPSUKEBLIMY-UHFFFAOYSA-N 0 3 340.471 1.828 20 10 EDCDHN COC(=O)C1CCN(C(=O)CN[C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000775833921 580402181 /nfs/dbraw/zinc/40/21/81/580402181.db2.gz HNSPRCWCILEMFA-CQSZACIVSA-N 0 3 347.459 1.815 20 10 EDCDHN CC[C@H]1CCN1C[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000795651450 580932842 /nfs/dbraw/zinc/93/28/42/580932842.db2.gz YTJQJMIHBCIFJU-WMZOPIPTSA-N 0 3 333.476 1.662 20 10 EDCDHN C[S@@](=O)C1(CNCc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000799348609 581026207 /nfs/dbraw/zinc/02/62/07/581026207.db2.gz IQWJAZPAPXPHJB-JOCHJYFZSA-N 0 3 326.437 1.663 20 10 EDCDHN CC(=O)NCCCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891939806 590697410 /nfs/dbraw/zinc/69/74/10/590697410.db2.gz GODNLXIPNPGZSS-KRWDZBQOSA-N 0 3 349.479 1.181 20 10 EDCDHN COc1ccc(C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)c([O-])c1OC ZINC000892115696 590807594 /nfs/dbraw/zinc/80/75/94/590807594.db2.gz RLRVIBRGULZPPV-AWEZNQCLSA-N 0 3 336.432 1.564 20 10 EDCDHN COc1ccc(C[N@H+]2CC[C@@H](CN3CCOCC3)C2)c([O-])c1OC ZINC000892115696 590807599 /nfs/dbraw/zinc/80/75/99/590807599.db2.gz RLRVIBRGULZPPV-AWEZNQCLSA-N 0 3 336.432 1.564 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2CCCN(C)C2)N(C)C)cc1 ZINC000892237911 590881290 /nfs/dbraw/zinc/88/12/90/590881290.db2.gz TYPQOSNVQIZDSU-AEFFLSMTSA-N 0 3 347.507 1.749 20 10 EDCDHN C=CC(=O)N(C)CC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891246628 591016422 /nfs/dbraw/zinc/01/64/22/591016422.db2.gz CPBBBYAXTHXFOF-MRXNPFEDSA-N 0 3 332.448 1.116 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCN(C)C(=O)C2)N(C)C)cc1 ZINC000891256675 591022432 /nfs/dbraw/zinc/02/24/32/591022432.db2.gz ZQRRNZPPIBBEGL-RDJZCZTQSA-N 0 3 346.475 1.340 20 10 EDCDHN CC(=O)OC[C@H](C)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000894842705 591438919 /nfs/dbraw/zinc/43/89/19/591438919.db2.gz BCZJXEMXHWOQPG-NSHDSACASA-N 0 3 328.359 1.843 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)NC[C@@H]2CCN2C)N(C)C)cc1 ZINC000896620273 591554936 /nfs/dbraw/zinc/55/49/36/591554936.db2.gz PLNBKRYIAZENTC-DLBZAZTESA-N 0 3 333.480 1.359 20 10 EDCDHN Cc1cc(N(C)C)ccc1CNCCS(=O)(=O)N1CCCC1 ZINC000897830508 591687875 /nfs/dbraw/zinc/68/78/75/591687875.db2.gz YYIYPBSIMXJFAG-UHFFFAOYSA-N 0 3 325.478 1.576 20 10 EDCDHN O=C1N(CC[NH2+]Cc2cc3c(cc2[O-])OCO3)C[C@@H]2CCCCN12 ZINC000895345125 591722934 /nfs/dbraw/zinc/72/29/34/591722934.db2.gz XTBQLQASWQYQIG-ZDUSSCGKSA-N 0 3 333.388 1.501 20 10 EDCDHN CO[C@]1(C[NH2+][C@@H](C)c2c(C)cc(C)cc2[O-])CCS(=O)(=O)C1 ZINC000903363053 592159151 /nfs/dbraw/zinc/15/91/51/592159151.db2.gz LTXKYHQXGNPZHM-BBRMVZONSA-N 0 3 327.446 1.863 20 10 EDCDHN CO[C@]1(C[NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)CCS(=O)(=O)C1 ZINC000903367129 592160696 /nfs/dbraw/zinc/16/06/96/592160696.db2.gz XSXFKDXUOUXJEK-PKWAYOAASA-N 0 3 343.420 1.873 20 10 EDCDHN C[C@@H]1NCCn2c(C(=O)NC[C@H](N)c3ccc(N(C)C)cc3)ccc21 ZINC000911667373 592973870 /nfs/dbraw/zinc/97/38/70/592973870.db2.gz QKCJNODPPFBVKC-BBRMVZONSA-N 0 3 341.459 1.648 20 10 EDCDHN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000806038955 593182465 /nfs/dbraw/zinc/18/24/65/593182465.db2.gz JSPBVIGVUNJGDV-GDBMZVCRSA-N 0 3 346.475 1.276 20 10 EDCDHN CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000807678397 593190130 /nfs/dbraw/zinc/19/01/30/593190130.db2.gz WUCGWACVHWESMR-WMLDXEAASA-N 0 3 346.475 1.530 20 10 EDCDHN COc1cc(N2CCN(C[C@@H](O)C3CC3)CC2)cc(OC)c1OC ZINC000838932012 593241240 /nfs/dbraw/zinc/24/12/40/593241240.db2.gz LFSJHZRGUQGROL-OAHLLOKOSA-N 0 3 336.432 1.605 20 10 EDCDHN N[C@@H]1C[C@@H]1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000828359567 594400302 /nfs/dbraw/zinc/40/03/02/594400302.db2.gz YIAIDPUYVAAYPS-UONOGXRCSA-N 0 3 325.359 1.720 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNC(=O)[C@@H]2CCc3cnn(C)c3C2)cc1 ZINC000832284368 594740154 /nfs/dbraw/zinc/74/01/54/594740154.db2.gz JSGWZHBZVRAZTN-RHSMWYFYSA-N 0 3 341.459 1.407 20 10 EDCDHN COC(=O)c1cc(C(=O)NC[C@H](N)c2ccc(N(C)C)cc2)ccn1 ZINC000832284328 594740170 /nfs/dbraw/zinc/74/01/70/594740170.db2.gz INDIRCACZVEXCB-HNNXBMFYSA-N 0 3 342.399 1.364 20 10 EDCDHN Cc1cc(N(C)C)ccc1CNCCNS(=O)(=O)c1cccnc1 ZINC000840937319 594830535 /nfs/dbraw/zinc/83/05/35/594830535.db2.gz RJLSCNUPLCUJJM-UHFFFAOYSA-N 0 3 348.472 1.524 20 10 EDCDHN COC(=O)[C@H]1CN(C)CCN(C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000840958663 594832966 /nfs/dbraw/zinc/83/29/66/594832966.db2.gz QZJQBFMDZDLWGJ-RTRPANQVSA-N 0 3 331.460 1.802 20 10 EDCDHN CCN(CC)CC(=O)N1CCN(C(=O)Nc2ccc(N)cc2)CC1 ZINC000841299697 594882529 /nfs/dbraw/zinc/88/25/29/594882529.db2.gz IDTIZHBQYHZWFO-UHFFFAOYSA-N 0 3 333.436 1.287 20 10 EDCDHN Nc1ccc(NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc1 ZINC000841300193 594882778 /nfs/dbraw/zinc/88/27/78/594882778.db2.gz MIHQOFKEXZZSML-UHFFFAOYSA-N 0 3 331.420 1.041 20 10 EDCDHN COc1ccc(O)c(CNC(=O)Nc2ccnn2CCN(C)C)c1 ZINC000836700323 594989732 /nfs/dbraw/zinc/98/97/32/594989732.db2.gz OQPBGTPGFCWURV-UHFFFAOYSA-N 0 3 333.392 1.481 20 10 EDCDHN CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@@H](CN)C2CC2)cc1 ZINC000842256891 595057375 /nfs/dbraw/zinc/05/73/75/595057375.db2.gz NGLCPYDIAISSSV-KRWDZBQOSA-N 0 3 346.475 1.345 20 10 EDCDHN CC(=O)c1cc(Cl)cc(CN2CC[C@@H](N3CC[NH2+]CC3)C2)c1[O-] ZINC000842475061 595114021 /nfs/dbraw/zinc/11/40/21/595114021.db2.gz JUTNXVQDWHMNBT-OAHLLOKOSA-N 0 3 337.851 1.728 20 10 EDCDHN Cc1cnc(N)c(S(=O)(=O)NC[C@H](N)c2ccc(N(C)C)cc2)c1 ZINC000842783723 595196735 /nfs/dbraw/zinc/19/67/35/595196735.db2.gz BWNSTJWZSRRKHD-AWEZNQCLSA-N 0 3 349.460 1.017 20 10 EDCDHN CN(C)c1ccc(CN(C)C(=O)CN2C[C@H]3CCC[C@@H](C2)N3)cc1 ZINC000844226003 595309803 /nfs/dbraw/zinc/30/98/03/595309803.db2.gz YOMDWFJDWUFHNK-CALCHBBNSA-N 0 3 330.476 1.537 20 10 EDCDHN COC[C@H](O)C[NH2+][C@H](C)c1cc(Br)cc(OC)c1[O-] ZINC000848548987 595404478 /nfs/dbraw/zinc/40/44/78/595404478.db2.gz NBFSUVMPKFCWMP-PSASIEDQSA-N 0 3 334.210 1.821 20 10 EDCDHN COC[C@@H](CO)[NH2+][C@@H](C)c1cc(Br)cc(OC)c1[O-] ZINC000848548853 595404782 /nfs/dbraw/zinc/40/47/82/595404782.db2.gz GQELSLUPAIDYJA-WCBMZHEXSA-N 0 3 334.210 1.821 20 10 EDCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CC2CC1(CN)C2 ZINC000852917931 595614205 /nfs/dbraw/zinc/61/42/05/595614205.db2.gz UTUCXHSHOMOUFU-UHFFFAOYSA-N 0 3 344.459 1.051 20 10 EDCDHN CN(C)c1cc(F)c(CNC[C@@]2(OCCO)CCOC2)cc1F ZINC000858188489 595724094 /nfs/dbraw/zinc/72/40/94/595724094.db2.gz UNVSHQOPEUNKPF-INIZCTEOSA-N 0 3 330.375 1.288 20 10 EDCDHN O=C1CC[C@@H](CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)N1 ZINC000850388738 595824885 /nfs/dbraw/zinc/82/48/85/595824885.db2.gz KSLBTUYAEUXXPA-AWEZNQCLSA-N 0 3 332.404 1.953 20 10 EDCDHN CCN1CCN(c2ccc(CN[C@@H](C)Cn3cncn3)cc2F)CC1 ZINC000850433329 595832880 /nfs/dbraw/zinc/83/28/80/595832880.db2.gz LGUWECDOIMUVFQ-HNNXBMFYSA-N 0 3 346.454 1.737 20 10 EDCDHN COc1ccc(N2CCCN(CCN3C(=O)CN(C)C3=O)CC2)cc1 ZINC000851733400 595901464 /nfs/dbraw/zinc/90/14/64/595901464.db2.gz UKKFMIBGLOQLFE-UHFFFAOYSA-N 0 3 346.431 1.101 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)c2cccn(C3CC3)c2=O)cc1 ZINC000870932744 596410730 /nfs/dbraw/zinc/41/07/30/596410730.db2.gz IWAKGXVKTVPVSG-KRWDZBQOSA-N 0 3 340.427 1.679 20 10 EDCDHN COc1ccc(CN[C@H]2CC(=O)N(C3CC3)C2)cc1Cn1cccn1 ZINC000873069112 597178865 /nfs/dbraw/zinc/17/88/65/597178865.db2.gz GYRQOSHBUPSACO-INIZCTEOSA-N 0 3 340.427 1.793 20 10 EDCDHN COc1ccc(CNC[C@H]2CCCNC2=O)cc1Cn1cccn1 ZINC000873130269 597205795 /nfs/dbraw/zinc/20/57/95/597205795.db2.gz CMTFCDVJUOHVFE-OAHLLOKOSA-N 0 3 328.416 1.556 20 10 EDCDHN COc1ccc(CNCCN2CCCC2=O)cc1Cn1cccn1 ZINC000873133876 597207542 /nfs/dbraw/zinc/20/75/42/597207542.db2.gz VCWKFEXXLLSTHL-UHFFFAOYSA-N 0 3 328.416 1.652 20 10 EDCDHN Cc1ccc(C[NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)c([O-])c1 ZINC000876970306 597402209 /nfs/dbraw/zinc/40/22/09/597402209.db2.gz OJDOAOZVVNNSKP-CQSZACIVSA-N 0 3 331.368 1.959 20 10 EDCDHN CC(C)(CS(C)(=O)=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000877360580 597501252 /nfs/dbraw/zinc/50/12/52/597501252.db2.gz NATJXSPJWHQTOA-UHFFFAOYSA-N 0 3 340.489 1.561 20 10 EDCDHN CC1(C)CN(Cc2ccc(N3CCC(O)CC3)cc2)CCN1CCO ZINC000877459019 597519169 /nfs/dbraw/zinc/51/91/69/597519169.db2.gz DXUFRGPUHARYID-UHFFFAOYSA-N 0 3 347.503 1.536 20 10 EDCDHN O=C1CCCN1[C@H]1CCN(Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877471899 597521196 /nfs/dbraw/zinc/52/11/96/597521196.db2.gz DPBYQBGESPBZIH-SFHVURJKSA-N 0 3 343.471 1.844 20 10 EDCDHN CCOC(=O)N1CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c2ccccc2[O-])CC1 ZINC000879651236 597674757 /nfs/dbraw/zinc/67/47/57/597674757.db2.gz ODBXAISTVVJDKJ-UONOGXRCSA-N 0 3 349.431 1.732 20 10 EDCDHN [O-]c1cccc2c1[C@H]([NH2+][C@@H]1CCCN(CCN3CCOCC3)C1)CC2 ZINC000883371519 597725556 /nfs/dbraw/zinc/72/55/56/597725556.db2.gz NWLPJLJFGWWMGZ-QZTJIDSGSA-N 0 3 345.487 1.766 20 10 EDCDHN CN(C)c1ccc(CNC(=O)CN2CCC[C@H](C(C)(C)O)C2)cc1 ZINC000879962695 597786718 /nfs/dbraw/zinc/78/67/18/597786718.db2.gz QPTFUZSTGIVTBZ-INIZCTEOSA-N 0 3 333.476 1.852 20 10 EDCDHN N[C@@H](CC1CC1)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000884194519 598022549 /nfs/dbraw/zinc/02/25/49/598022549.db2.gz LBPVCSCNFXYCCZ-SFHVURJKSA-N 0 3 331.460 1.639 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@@H](C3CC3)C1)cc2=O ZINC000372856104 250227499 /nfs/dbraw/zinc/22/74/99/250227499.db2.gz HQYBWUNWJRRIRG-GFCCVEGCSA-N 0 3 330.388 1.844 20 10 EDCDHN CN(C)c1ccc(CNC(=O)CN[C@H]2CCC(=O)N[C@@H]2C2CC2)cc1 ZINC000375300576 250281508 /nfs/dbraw/zinc/28/15/08/250281508.db2.gz BRHJDGWCWYDWFN-QFBILLFUSA-N 0 3 344.459 1.016 20 10 EDCDHN COc1cc([O-])c(C[N@@H+]2CCCC[C@H]2[C@@H]2CNC(=O)C2)cc1OC ZINC000373218811 295004221 /nfs/dbraw/zinc/00/42/21/295004221.db2.gz VDRKTGHWDIKESV-JSGCOSHPSA-N 0 3 334.416 1.900 20 10 EDCDHN COc1cc([O-])c(C[N@H+]2CCCC[C@H]2[C@@H]2CNC(=O)C2)cc1OC ZINC000373218811 295004223 /nfs/dbraw/zinc/00/42/23/295004223.db2.gz VDRKTGHWDIKESV-JSGCOSHPSA-N 0 3 334.416 1.900 20 10 EDCDHN Cn1cc([C@H](O)C[C@@H]2CCC[N@@H+]2Cc2cc3c(cc2[O-])OCO3)cn1 ZINC000378381216 447424221 /nfs/dbraw/zinc/42/42/21/447424221.db2.gz WQRAGWDQDMBBNR-LSDHHAIUSA-N 0 3 345.399 1.943 20 10 EDCDHN Cn1cc([C@H](O)C[C@@H]2CCC[N@H+]2Cc2cc3c(cc2[O-])OCO3)cn1 ZINC000378381216 447424224 /nfs/dbraw/zinc/42/42/24/447424224.db2.gz WQRAGWDQDMBBNR-LSDHHAIUSA-N 0 3 345.399 1.943 20 10 EDCDHN COc1ccc(N2CCCN(CCN3C(=O)CCC3=O)CC2)cc1 ZINC000052466898 441452685 /nfs/dbraw/zinc/45/26/85/441452685.db2.gz PFRXTDIBHDSVAB-UHFFFAOYSA-N 0 3 331.416 1.356 20 10 EDCDHN Cc1cccc(CN2CCCN(CC(=O)N3CCCC3)CC2)c1O ZINC000179676320 442488812 /nfs/dbraw/zinc/48/88/12/442488812.db2.gz XRWQQDRHCOCJRM-UHFFFAOYSA-N 0 3 331.460 1.831 20 10 EDCDHN Cc1cccc(C[N@@H+]2CCCN(CC(=O)N3CCCC3)CC2)c1[O-] ZINC000179676320 442488816 /nfs/dbraw/zinc/48/88/16/442488816.db2.gz XRWQQDRHCOCJRM-UHFFFAOYSA-N 0 3 331.460 1.831 20 10 EDCDHN Cc1cccc(C[N@H+]2CCCN(CC(=O)N3CCCC3)CC2)c1[O-] ZINC000179676320 442488820 /nfs/dbraw/zinc/48/88/20/442488820.db2.gz XRWQQDRHCOCJRM-UHFFFAOYSA-N 0 3 331.460 1.831 20 10 EDCDHN Cc1cccc(C[N@@H+]2CCCC[C@H]2CCNS(C)(=O)=O)c1[O-] ZINC000179719057 442494813 /nfs/dbraw/zinc/49/48/13/442494813.db2.gz PFVAEGOMZFCSDF-HNNXBMFYSA-N 0 3 326.462 1.994 20 10 EDCDHN Cc1cccc(C[N@H+]2CCCC[C@H]2CCNS(C)(=O)=O)c1[O-] ZINC000179719057 442494814 /nfs/dbraw/zinc/49/48/14/442494814.db2.gz PFVAEGOMZFCSDF-HNNXBMFYSA-N 0 3 326.462 1.994 20 10 EDCDHN C[C@@H]1CN[C@@H](C)CN1C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000272519056 443348368 /nfs/dbraw/zinc/34/83/68/443348368.db2.gz HBNBFNMLHURXRL-AUPUMLSVSA-N 0 3 329.444 1.745 20 10 EDCDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H](C)CN2CCN(C)CC2)c1 ZINC000273601738 443582040 /nfs/dbraw/zinc/58/20/40/443582040.db2.gz SBIHIKNBDDNJPS-GJZGRUSLSA-N 0 3 349.475 1.713 20 10 EDCDHN CN(C)c1ccc(CNC(=O)CN(CCO)C2CCCCC2)cc1 ZINC000272430051 443623434 /nfs/dbraw/zinc/62/34/34/443623434.db2.gz YRPJHEPBMNXADW-UHFFFAOYSA-N 0 3 333.476 1.996 20 10 EDCDHN Cc1ccc(O)c(CN[C@H]2CCCN(c3nccn(C)c3=O)C2)c1 ZINC000275700497 443638606 /nfs/dbraw/zinc/63/86/06/443638606.db2.gz XOJSEMGQHQITSV-HNNXBMFYSA-N 0 3 328.416 1.553 20 10 EDCDHN Cc1ccc([O-])c(C[NH2+][C@H]2CCCN(c3nccn(C)c3=O)C2)c1 ZINC000275700497 443638609 /nfs/dbraw/zinc/63/86/09/443638609.db2.gz XOJSEMGQHQITSV-HNNXBMFYSA-N 0 3 328.416 1.553 20 10 EDCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2CCn3ncc(C(N)=O)c3C2)c1 ZINC000280959919 443783987 /nfs/dbraw/zinc/78/39/87/443783987.db2.gz KKGIEBVKDOKLSG-NWDGAFQWSA-N 0 3 344.415 1.609 20 10 EDCDHN CCOCc1cc(CNCCn2cc(C(=O)OC)nn2)ccc1OC ZINC000283900923 443758096 /nfs/dbraw/zinc/75/80/96/443758096.db2.gz HVMINERNWRUZBQ-UHFFFAOYSA-N 0 3 348.403 1.400 20 10 EDCDHN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NC[C@H]1CCCN1C ZINC000299225563 443987961 /nfs/dbraw/zinc/98/79/61/443987961.db2.gz AQIDQILAYAZWFL-GOSISDBHSA-N 0 3 346.475 1.759 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@H]1CCOC1(C)C)cc2=O ZINC000295248994 444173448 /nfs/dbraw/zinc/17/34/48/444173448.db2.gz QFRQDUHLWFRJLL-LBPRGKRZSA-N 0 3 334.376 1.269 20 10 EDCDHN Oc1cc2c(cc1CN1CC[C@](O)(c3nc(C4CC4)no3)C1)OCO2 ZINC000290371964 444272911 /nfs/dbraw/zinc/27/29/11/444272911.db2.gz HLUWVXBCHNENMZ-QGZVFWFLSA-N 0 3 345.355 1.475 20 10 EDCDHN Cc1c2ccccc2n(C)c1CNC(=O)NCCOCCN(C)C ZINC000349962478 445736093 /nfs/dbraw/zinc/73/60/93/445736093.db2.gz GWUFYCMDZVOPKL-UHFFFAOYSA-N 0 3 332.448 1.864 20 10 EDCDHN COc1cccc(C[NH2+]C2CCN(c3nccn(C)c3=O)CC2)c1[O-] ZINC000365101382 446024931 /nfs/dbraw/zinc/02/49/31/446024931.db2.gz RINFDIQLXZRJTQ-UHFFFAOYSA-N 0 3 344.415 1.253 20 10 EDCDHN COc1cc(O)c(CN2CCC[C@@H](N3CCNC3=O)C2)cc1OC ZINC000362047436 446176946 /nfs/dbraw/zinc/17/69/46/446176946.db2.gz RRABGFXTBWRBHQ-CYBMUJFWSA-N 0 3 335.404 1.399 20 10 EDCDHN COc1cc(O)c(CN2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)cc1OC ZINC000375412046 446782746 /nfs/dbraw/zinc/78/27/46/446782746.db2.gz SDOQDHRZAYUIPO-NXEZZACHSA-N 0 3 348.321 1.505 20 10 EDCDHN COc1cc(O)c(CN2CCC[C@H](c3ccnc(N)n3)C2)cc1OC ZINC000377702702 447304169 /nfs/dbraw/zinc/30/41/69/447304169.db2.gz UNUXUFNXJIIIOR-LBPRGKRZSA-N 0 3 344.415 2.161 20 10 EDCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@H](c3ccnc(N)n3)C2)cc1OC ZINC000377702702 447304171 /nfs/dbraw/zinc/30/41/71/447304171.db2.gz UNUXUFNXJIIIOR-LBPRGKRZSA-N 0 3 344.415 2.161 20 10 EDCDHN COc1cc([O-])c(C[N@H+]2CCC[C@H](c3ccnc(N)n3)C2)cc1OC ZINC000377702702 447304176 /nfs/dbraw/zinc/30/41/76/447304176.db2.gz UNUXUFNXJIIIOR-LBPRGKRZSA-N 0 3 344.415 2.161 20 10 EDCDHN COc1cc(O)c(CN2CC[C@H]3CC[C@@H](C2)[S@]3=O)cc1OC ZINC000529675818 448923608 /nfs/dbraw/zinc/92/36/08/448923608.db2.gz JRXZFGULMJKRRQ-IFMYKAFSSA-N 0 3 325.430 1.895 20 10 EDCDHN C[C@@H]1CC[C@](CO)(N(C)CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000299345806 524715532 /nfs/dbraw/zinc/71/55/32/524715532.db2.gz PARRXLCKAKZIQR-BEFAXECRSA-N 0 3 333.476 1.852 20 10 EDCDHN CC(C)NS(=O)(=O)NCC[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000760047540 580021979 /nfs/dbraw/zinc/02/19/79/580021979.db2.gz PIUXVDJONDBIHO-CMPLNLGQSA-N 0 3 345.440 1.502 20 10 EDCDHN CN(C)CCOCCNC(=O)NCc1ccc2c(c1)CCCN2C ZINC000788018096 578545348 /nfs/dbraw/zinc/54/53/48/578545348.db2.gz PGVLMSISXGSTFN-UHFFFAOYSA-N 0 3 334.464 1.446 20 10 EDCDHN Cc1ncccc1CNCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000733331032 578759905 /nfs/dbraw/zinc/75/99/05/578759905.db2.gz XOJUUXXHRRJNDO-UHFFFAOYSA-N 0 3 345.468 1.915 20 10 EDCDHN O=C(NCc1c(O)ccc2c1CCCC2)NC1CCN(CCO)CC1 ZINC000745813692 579563977 /nfs/dbraw/zinc/56/39/77/579563977.db2.gz PQGAVBGDNPPFAC-UHFFFAOYSA-N 0 3 347.459 1.527 20 10 EDCDHN C[C@H](O)CNC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 ZINC000765533941 580145156 /nfs/dbraw/zinc/14/51/56/580145156.db2.gz AMTUSBGHZSKISX-HNNXBMFYSA-N 0 3 346.475 1.399 20 10 EDCDHN COC(=O)C[C@@]1(NCc2ccc(N3CCN(C)CC3)cc2)CCOC1 ZINC000766469377 580167702 /nfs/dbraw/zinc/16/77/02/580167702.db2.gz OIQPPZROBBWZPV-IBGZPJMESA-N 0 3 347.459 1.250 20 10 EDCDHN CCOc1ccc([O-])c(C[NH+]2CCC(C(=O)NCCOC)CC2)c1 ZINC000768240035 580209573 /nfs/dbraw/zinc/20/95/73/580209573.db2.gz ZFLUYTUJVIIGQM-UHFFFAOYSA-N 0 3 336.432 1.766 20 10 EDCDHN COc1cc(Br)cc(CN2C[C@H]3C[NH2+]C[C@H]3C2)c1[O-] ZINC000770394434 580259456 /nfs/dbraw/zinc/25/94/56/580259456.db2.gz IMCVXCYITAJBOV-PHIMTYICSA-N 0 3 327.222 1.815 20 10 EDCDHN C[C@H](NC(=O)NC[C@@H]1CN2CCC[C@H]2CO1)c1ccc(N(C)C)cc1 ZINC000773277491 580332510 /nfs/dbraw/zinc/33/25/10/580332510.db2.gz SEZMRUWBLFXMTB-JCGIZDLHSA-N 0 3 346.475 1.976 20 10 EDCDHN C[C@@H](O)CN1CCN(Cc2ccc(N3CCN(C)CC3)cc2)[C@@H](C)C1 ZINC000793588280 580848280 /nfs/dbraw/zinc/84/82/80/580848280.db2.gz IHPWXPGJTOZDKG-ZWKOTPCHSA-N 0 3 346.519 1.325 20 10 EDCDHN COc1cccc(C[NH2+][C@@H]2CCC[C@@H]2CNS(C)(=O)=O)c1[O-] ZINC000800309532 581050265 /nfs/dbraw/zinc/05/02/65/581050265.db2.gz KNHZBCRLLZFUMH-DGCLKSJQSA-N 0 3 328.434 1.208 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCCN(C)C2=O)N(C)C)cc1 ZINC000891245767 591014904 /nfs/dbraw/zinc/01/49/04/591014904.db2.gz IXNKVAWAPJMIMH-DLBZAZTESA-N 0 3 346.475 1.340 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@H](O)c2ccccn2)N(C)C)cc1 ZINC000891246749 591015468 /nfs/dbraw/zinc/01/54/68/591015468.db2.gz CUUUWVRBBDGGNK-QZTJIDSGSA-N 0 3 342.443 1.600 20 10 EDCDHN CSCC[C@H](O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891249369 591018142 /nfs/dbraw/zinc/01/81/42/591018142.db2.gz RSVOWVLENPXPAJ-HOTGVXAUSA-N 0 3 339.505 1.586 20 10 EDCDHN COCn1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)n1 ZINC000891250269 591019564 /nfs/dbraw/zinc/01/95/64/591019564.db2.gz WEOGUWJSSXZIPI-KRWDZBQOSA-N 0 3 345.447 1.586 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)COC2CCOCC2)N(C)C)cc1 ZINC000891253118 591021042 /nfs/dbraw/zinc/02/10/42/591021042.db2.gz QUEGNTMMGLYSNR-SFHVURJKSA-N 0 3 349.475 1.667 20 10 EDCDHN Cc1ccc(C[NH2+][C@H]2CCCN(CCN3CCOCC3)C2)c([O-])c1 ZINC000895686507 591248635 /nfs/dbraw/zinc/24/86/35/591248635.db2.gz SSBGDVJJILIBMO-SFHVURJKSA-N 0 3 333.476 1.587 20 10 EDCDHN COc1cc(C)cc(CNCc2cccc(OCC(N)=O)c2)c1O ZINC000894315217 591275770 /nfs/dbraw/zinc/27/57/70/591275770.db2.gz OLPOMWCKUORJEC-UHFFFAOYSA-N 0 3 330.384 1.863 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)NCc2ncccn2)N(C)C)cc1 ZINC000895837456 591285608 /nfs/dbraw/zinc/28/56/08/591285608.db2.gz KRIKXTJABNUQJU-MRXNPFEDSA-N 0 3 342.447 1.645 20 10 EDCDHN COc1ccc(CN[C@@H](C)C2(S(C)(=O)=O)CC2)c(O)c1OC ZINC000894419384 591307228 /nfs/dbraw/zinc/30/72/28/591307228.db2.gz TVSZQDADEZXUNB-JTQLQIEISA-N 0 3 329.418 1.465 20 10 EDCDHN CN1CCN(c2ccc(CN[C@H]3CS(=O)(=O)C3(C)C)cc2)CC1 ZINC000895980886 591317340 /nfs/dbraw/zinc/31/73/40/591317340.db2.gz BGMBNSXKAHYSIS-INIZCTEOSA-N 0 3 337.489 1.104 20 10 EDCDHN O=C(NCCCSc1nccs1)C1CN(C2CCOCC2)C1 ZINC000896335012 591425368 /nfs/dbraw/zinc/42/53/68/591425368.db2.gz RFBKVEPSBRDDNY-UHFFFAOYSA-N 0 3 341.502 1.852 20 10 EDCDHN COc1ccc(C[NH2+]CCC(C)(C)S(C)(=O)=O)c([O-])c1OC ZINC000894910055 591469674 /nfs/dbraw/zinc/46/96/74/591469674.db2.gz LQQPJWBERCUOII-UHFFFAOYSA-N 0 3 331.434 1.712 20 10 EDCDHN COCCN1CCN(Cc2ccc(OC)c(OC)c2O)C(C)(C)C1 ZINC000895180130 591644413 /nfs/dbraw/zinc/64/44/13/591644413.db2.gz KNAWMYOEGYOKQT-UHFFFAOYSA-N 0 3 338.448 1.952 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)N2C[C@@H]3COC[C@@H]3C2)N(C)C)cc1 ZINC000899099129 591689445 /nfs/dbraw/zinc/68/94/45/591689445.db2.gz VVMLUNAERWENSY-SOLBZPMBSA-N 0 3 346.475 1.643 20 10 EDCDHN COC[C@H](C)NC(=S)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899723596 591920343 /nfs/dbraw/zinc/92/03/43/591920343.db2.gz BOJTZKHCDOZHBW-BBRMVZONSA-N 0 3 338.521 1.854 20 10 EDCDHN CN1CCC[C@](O)(CC(=O)NCCCSc2nccs2)C1 ZINC000900683707 592093178 /nfs/dbraw/zinc/09/31/78/592093178.db2.gz PEKQAYXONLDLFY-AWEZNQCLSA-N 0 3 329.491 1.588 20 10 EDCDHN CO[C@@]1(CN[C@@H](C)c2ccc(N(C)C)cc2)CCS(=O)(=O)C1 ZINC000903369621 592161842 /nfs/dbraw/zinc/16/18/42/592161842.db2.gz YTWKCGDDTPHGSG-XJKSGUPXSA-N 0 3 326.462 1.607 20 10 EDCDHN O[C@H](CNCc1ccc(N2CCC(O)CC2)c(F)c1)C1(O)CCC1 ZINC000905143577 592435647 /nfs/dbraw/zinc/43/56/47/592435647.db2.gz CAGWZUSPIWGZDA-QGZVFWFLSA-N 0 3 338.423 1.152 20 10 EDCDHN CC(C)[N@H+](CCO)CC1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000910869940 592898555 /nfs/dbraw/zinc/89/85/55/592898555.db2.gz RISKFWHIEFVWQC-UHFFFAOYSA-N 0 3 336.432 1.653 20 10 EDCDHN CC(C)[N@@H+](CCO)CC1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000910869940 592898556 /nfs/dbraw/zinc/89/85/56/592898556.db2.gz RISKFWHIEFVWQC-UHFFFAOYSA-N 0 3 336.432 1.653 20 10 EDCDHN Cc1cc(Br)cc(C[NH2+]C[C@H](O)Cn2ccnn2)c1[O-] ZINC000839178645 593271640 /nfs/dbraw/zinc/27/16/40/593271640.db2.gz GPSAOCMELHMFIC-LBPRGKRZSA-N 0 3 341.209 1.205 20 10 EDCDHN COC(=O)[C@H]1CSCC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000840185947 593364041 /nfs/dbraw/zinc/36/40/41/593364041.db2.gz JIHOWJVRXCOPSP-RISCZKNCSA-N 0 3 339.413 1.156 20 10 EDCDHN COC(=O)[C@H]1CSCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000840185947 593364042 /nfs/dbraw/zinc/36/40/42/593364042.db2.gz JIHOWJVRXCOPSP-RISCZKNCSA-N 0 3 339.413 1.156 20 10 EDCDHN COC(=O)[C@@H](O)C1CCN(Cc2cc(Cl)cc(OC)c2O)CC1 ZINC000761206255 593413104 /nfs/dbraw/zinc/41/31/04/593413104.db2.gz UXAHELOSUPZSKD-HNNXBMFYSA-N 0 3 343.807 1.800 20 10 EDCDHN CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@@H](CO)CC2)cc1 ZINC000815276217 593624360 /nfs/dbraw/zinc/62/43/60/593624360.db2.gz FXUDEPVTUDZPDJ-QGZVFWFLSA-N 0 3 333.476 1.805 20 10 EDCDHN CN(C)c1ccc(CNC(=O)C(=O)N[C@H]2CCN(C(C)(C)C)C2)cc1 ZINC000826706099 594560414 /nfs/dbraw/zinc/56/04/14/594560414.db2.gz FYZCXUAEEPCJCP-HNNXBMFYSA-N 0 3 346.475 1.358 20 10 EDCDHN CC1CCN(C(=O)C(=O)NC[C@H](N)c2ccc(N(C)C)cc2)CC1 ZINC000832283885 594740189 /nfs/dbraw/zinc/74/01/89/594740189.db2.gz CXCBPYXEWDGNNX-INIZCTEOSA-N 0 3 332.448 1.127 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNC(=O)CNC(=O)c2cccs2)cc1 ZINC000832292372 594740602 /nfs/dbraw/zinc/74/06/02/594740602.db2.gz GDXPWOMQRVNBAA-CQSZACIVSA-N 0 3 346.456 1.360 20 10 EDCDHN COc1cc(Br)cc(C[NH2+]C[C@@H]2C[C@H](F)CN2)c1[O-] ZINC000841077591 594848267 /nfs/dbraw/zinc/84/82/67/594848267.db2.gz CCYQCJLOILJCRS-QWRGUYRKSA-N 0 3 333.201 1.953 20 10 EDCDHN Cc1cc(Br)c([O-])c(CNC[C@H]2C[NH2+]CCCO2)c1 ZINC000841087715 594849776 /nfs/dbraw/zinc/84/97/76/594849776.db2.gz VDRMAZKOJZSGBM-GFCCVEGCSA-N 0 3 329.238 1.931 20 10 EDCDHN Cc1cc(Br)c([O-])c(C[NH2+]C[C@H]2CNCCCO2)c1 ZINC000841087715 594849778 /nfs/dbraw/zinc/84/97/78/594849778.db2.gz VDRMAZKOJZSGBM-GFCCVEGCSA-N 0 3 329.238 1.931 20 10 EDCDHN COc1ccc(CNC(=O)Nc2cnc3c(c2)CNCC3)c(O)c1 ZINC000841323207 594884635 /nfs/dbraw/zinc/88/46/35/594884635.db2.gz ZLGMEBHRHRAUEY-UHFFFAOYSA-N 0 3 328.372 1.763 20 10 EDCDHN CN1CC[C@@H]2CN(C(=O)NCc3ccc(N4CC=CC4)cc3)C[C@@H]21 ZINC000836319587 594951102 /nfs/dbraw/zinc/95/11/02/594951102.db2.gz CQKHKEMXWPGSHE-AEFFLSMTSA-N 0 3 326.444 1.908 20 10 EDCDHN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1CNCCO1 ZINC000842012550 595002583 /nfs/dbraw/zinc/00/25/83/595002583.db2.gz YEMLJAQFCPEGSM-QGZVFWFLSA-N 0 3 334.464 1.661 20 10 EDCDHN CN(C)c1ccc(CNC(=O)C(=O)N[C@@H](CN)C2CCCCC2)cc1 ZINC000842036631 595006668 /nfs/dbraw/zinc/00/66/68/595006668.db2.gz PRSNJLVUKODQKO-KRWDZBQOSA-N 0 3 346.475 1.393 20 10 EDCDHN CCC[C@@H](O)[C@@H](CO)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000842225051 595044459 /nfs/dbraw/zinc/04/44/59/595044459.db2.gz GPPNNSOOVOMBGZ-NVXWUHKLSA-N 0 3 326.412 1.274 20 10 EDCDHN COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)CC(C)(C)[NH3+] ZINC000843489042 595127173 /nfs/dbraw/zinc/12/71/73/595127173.db2.gz BYQKSBOMIJDKCM-UHFFFAOYSA-N 0 3 328.796 1.675 20 10 EDCDHN COc1cccc([C@@H](C)[NH2+]CCCN2CCC[C@@H]2C(=O)N(C)C)c1[O-] ZINC000846147108 595156644 /nfs/dbraw/zinc/15/66/44/595156644.db2.gz TUINKLRVJNANAX-GDBMZVCRSA-N 0 3 349.475 1.994 20 10 EDCDHN C[C@H]1CCCN(S(=O)(=O)NC[C@H](N)c2ccc(N(C)C)cc2)C1 ZINC000842783910 595196755 /nfs/dbraw/zinc/19/67/55/595196755.db2.gz FJXYQZQWSHPHMK-BBRMVZONSA-N 0 3 340.493 1.319 20 10 EDCDHN Cc1cc(CS(=O)(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)on1 ZINC000842784872 595197649 /nfs/dbraw/zinc/19/76/49/595197649.db2.gz MRRVVWZTTZCBTN-OAHLLOKOSA-N 0 3 338.433 1.168 20 10 EDCDHN Cc1ccc(S(=O)(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)cn1 ZINC000842784136 595197660 /nfs/dbraw/zinc/19/76/60/595197660.db2.gz GWEVOWSIZINRPX-MRXNPFEDSA-N 0 3 334.445 1.434 20 10 EDCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@H](N3CCNCC3=O)C2)c(Cl)c1 ZINC000843065374 595278655 /nfs/dbraw/zinc/27/86/55/595278655.db2.gz LJCNHNDMVDQORG-ZDUSSCGKSA-N 0 3 337.851 1.750 20 10 EDCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@H](N3CCNCC3=O)C2)c(Cl)c1 ZINC000843065374 595278656 /nfs/dbraw/zinc/27/86/56/595278656.db2.gz LJCNHNDMVDQORG-ZDUSSCGKSA-N 0 3 337.851 1.750 20 10 EDCDHN CO[C@H](CC(=O)NC[C@@H](N)c1ccc(N(C)C)cc1)C(F)(F)F ZINC000846664223 595295595 /nfs/dbraw/zinc/29/55/95/595295595.db2.gz XLGSGHSTYJDBPK-CHWSQXEVSA-N 0 3 333.354 1.836 20 10 EDCDHN [O-]c1cc2c(cc1C[NH+]1CCC(Cn3cnnc3)CC1)[C@H](O)CO2 ZINC000844734987 595385943 /nfs/dbraw/zinc/38/59/43/595385943.db2.gz AGDOOJJOOLQIPA-MRXNPFEDSA-N 0 3 330.388 1.322 20 10 EDCDHN CCc1cccc(C[NH2+]C[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)c1[O-] ZINC000848898386 595464922 /nfs/dbraw/zinc/46/49/22/595464922.db2.gz UUPZUYSMHRIAOA-KBXCAEBGSA-N 0 3 331.416 1.765 20 10 EDCDHN CCc1cccc(C[N@@H+]2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)c1[O-] ZINC000848910249 595466260 /nfs/dbraw/zinc/46/62/60/595466260.db2.gz GVDPMNDKYCTALA-KDOFPFPSSA-N 0 3 331.416 1.907 20 10 EDCDHN CCc1cccc(C[N@H+]2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)c1[O-] ZINC000848910249 595466262 /nfs/dbraw/zinc/46/62/62/595466262.db2.gz GVDPMNDKYCTALA-KDOFPFPSSA-N 0 3 331.416 1.907 20 10 EDCDHN COC(=O)CCN1CCC[C@H](N[C@@H](C)c2ccc(N(C)C)cc2)C1=O ZINC000849319857 595505643 /nfs/dbraw/zinc/50/56/43/595505643.db2.gz HEURQKSDYYFPMZ-YOEHRIQHSA-N 0 3 347.459 1.957 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNC(=O)C(C)(C)n2cc(N)cn2)cc1 ZINC000852792311 595544659 /nfs/dbraw/zinc/54/46/59/595544659.db2.gz VKLIUYFMSAMUKL-OAHLLOKOSA-N 0 3 330.436 1.083 20 10 EDCDHN CN(C)c1cc(F)c(CN[C@H](CC(N)=O)C2CCOCC2)cc1F ZINC000858154606 595714884 /nfs/dbraw/zinc/71/48/84/595714884.db2.gz MLWBQVRMPCCIRY-OAHLLOKOSA-N 0 3 341.402 1.791 20 10 EDCDHN COC(=O)CCNC(=O)CCNCc1ccc(N(C)C)c(F)c1 ZINC000858292525 595754477 /nfs/dbraw/zinc/75/44/77/595754477.db2.gz KDPMGEMFEVYZQJ-UHFFFAOYSA-N 0 3 325.384 1.051 20 10 EDCDHN COc1ccc(N2CC[C@H](NC(=O)[C@H]3CNCCC3(F)F)C2)cc1 ZINC000851639120 595864368 /nfs/dbraw/zinc/86/43/68/595864368.db2.gz BHYFMKBPNIJLTB-SWLSCSKDSA-N 0 3 339.386 1.635 20 10 EDCDHN C[C@@H]1NCCN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)[C@H]1C ZINC000851682404 595883016 /nfs/dbraw/zinc/88/30/16/595883016.db2.gz WJUJICFRJIFMJW-GJZGRUSLSA-N 0 3 346.475 1.540 20 10 EDCDHN CC(C)(O)C[C@@H](O)CNCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000872209846 596836964 /nfs/dbraw/zinc/83/69/64/596836964.db2.gz XSPNXRUVJBEDNG-CYBMUJFWSA-N 0 3 344.402 1.413 20 10 EDCDHN CNC(=O)[C@H]1CCC[C@H]1NCc1ccc(OC)c(Cn2cccn2)c1 ZINC000873099645 597193709 /nfs/dbraw/zinc/19/37/09/597193709.db2.gz PPZLSJZDPUSZIE-DLBZAZTESA-N 0 3 342.443 1.944 20 10 EDCDHN Cc1ccc(C[NH2+][C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c([O-])c1 ZINC000877138646 597440780 /nfs/dbraw/zinc/44/07/80/597440780.db2.gz AAOHBHYNFHIDJA-ZBFHGGJFSA-N 0 3 325.430 1.527 20 10 EDCDHN OC1CCN(c2ccc(CN3CC[C@@](O)(C(F)F)C3)cc2)CC1 ZINC000877563947 597536452 /nfs/dbraw/zinc/53/64/52/597536452.db2.gz RPYJGZJDYNQNET-KRWDZBQOSA-N 0 3 326.387 1.850 20 10 EDCDHN CN1CCN(c2ccc(CN3CCC4(CCNC4=O)CC3)cc2)CC1 ZINC000877782770 597556100 /nfs/dbraw/zinc/55/61/00/597556100.db2.gz NNGDQIVDAXMEGK-UHFFFAOYSA-N 0 3 342.487 1.541 20 10 EDCDHN COC(=O)c1cc(CNCc2cc3c(cc2O)OCO3)n(C)c1C ZINC000883345272 597720279 /nfs/dbraw/zinc/72/02/79/597720279.db2.gz XUPIAMYHOPABOA-UHFFFAOYSA-N 0 3 332.356 1.844 20 10 EDCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCN(CCN3CCOCC3)C2)c1 ZINC000359957148 201119245 /nfs/dbraw/zinc/11/92/45/201119245.db2.gz GNOHXFGAOUHVHW-SJORKVTESA-N 0 3 333.476 1.758 20 10 EDCDHN COc1cc(O)c(CN2CCN(CC(C)(C)O)[C@H](C)C2)cc1OC ZINC000188963459 442850297 /nfs/dbraw/zinc/85/02/97/442850297.db2.gz SGFNLPUFSQTUDK-CYBMUJFWSA-N 0 3 338.448 1.686 20 10 EDCDHN CCN(CCC[NH2+][C@@H](C)c1cc(OC)ccc1[O-])S(C)(=O)=O ZINC000194187531 442859395 /nfs/dbraw/zinc/85/93/95/442859395.db2.gz JYHMDOJWMWQUMM-LBPRGKRZSA-N 0 3 330.450 1.723 20 10 EDCDHN CCS(=O)(=O)N(C)CCC[NH2+][C@H](C)c1cc(OC)ccc1[O-] ZINC000185029436 443121584 /nfs/dbraw/zinc/12/15/84/443121584.db2.gz KULDHQOIRBATDM-GFCCVEGCSA-N 0 3 330.450 1.723 20 10 EDCDHN CN(C)c1ccc(CNC(=O)CN2CC[C@@H](N3CCCCC3)C2)cc1 ZINC000264581447 443335427 /nfs/dbraw/zinc/33/54/27/443335427.db2.gz JPYLGNPCDYSSLP-LJQANCHMSA-N 0 3 344.503 1.929 20 10 EDCDHN COc1cccc(CNC(=O)NC[C@]2(N(C)C)CCSC2)c1O ZINC000267181381 443369907 /nfs/dbraw/zinc/36/99/07/443369907.db2.gz MWMYHNAWLCXKCV-MRXNPFEDSA-N 0 3 339.461 1.637 20 10 EDCDHN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H](N)C1CCOCC1 ZINC000282845438 443449670 /nfs/dbraw/zinc/44/96/70/443449670.db2.gz WTQAZVDTYVTAMH-SFHVURJKSA-N 0 3 347.459 1.236 20 10 EDCDHN CN(C)CCc1ccccc1NC(=O)C(=O)NCc1ccccc1O ZINC000275425042 443627495 /nfs/dbraw/zinc/62/74/95/443627495.db2.gz ASYBMTLQWXKXCE-UHFFFAOYSA-N 0 3 341.411 1.751 20 10 EDCDHN CCN(CCO)CCNC(=O)NCc1ccc(N(CC)CC)cc1 ZINC000274708584 443610328 /nfs/dbraw/zinc/61/03/28/443610328.db2.gz ZVFDGZJSBWRKQN-UHFFFAOYSA-N 0 3 336.480 1.646 20 10 EDCDHN Cc1ccc([O-])c(C[NH2+]C[C@H]2CCCC[C@H]2NS(C)(=O)=O)c1 ZINC000285402522 443970896 /nfs/dbraw/zinc/97/08/96/443970896.db2.gz FGCAZVUDYJSQLP-UKRRQHHQSA-N 0 3 326.462 1.898 20 10 EDCDHN C[C@@H]1[C@H](C)NCCN1C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000277436440 443986289 /nfs/dbraw/zinc/98/62/89/443986289.db2.gz CYMVQVOKXQUWII-AUPUMLSVSA-N 0 3 329.444 1.745 20 10 EDCDHN CCOc1ccc(O)c(CN2CCC[C@@H](n3cc(CO)nn3)C2)c1 ZINC000293556517 444054092 /nfs/dbraw/zinc/05/40/92/444054092.db2.gz FNDDIYBVXZWYBG-OAHLLOKOSA-N 0 3 332.404 1.712 20 10 EDCDHN COCCO[C@@H]1C[C@@H](CO)CN(Cc2ccc(N(C)C)c(C)c2)C1 ZINC000294049952 444099869 /nfs/dbraw/zinc/09/98/69/444099869.db2.gz JHPGEPBIMVLZIG-QZTJIDSGSA-N 0 3 336.476 1.907 20 10 EDCDHN C[C@]1(C[C@@H]2CCC[N@@H+]2Cc2cc3c(cc2[O-])OCO3)NC(=O)NC1=O ZINC000289629021 444183189 /nfs/dbraw/zinc/18/31/89/444183189.db2.gz LXJOXGGJVJUNOV-APPDUMDISA-N 0 3 347.371 1.074 20 10 EDCDHN C[C@]1(C[C@@H]2CCC[N@H+]2Cc2cc3c(cc2[O-])OCO3)NC(=O)NC1=O ZINC000289629021 444183191 /nfs/dbraw/zinc/18/31/91/444183191.db2.gz LXJOXGGJVJUNOV-APPDUMDISA-N 0 3 347.371 1.074 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@H]1CCO[C@H]1C1CC1)cc2=O ZINC000365193226 446072952 /nfs/dbraw/zinc/07/29/52/446072952.db2.gz ZIVNTSZLPGQTGS-ZFWWWQNUSA-N 0 3 346.387 1.269 20 10 EDCDHN C[C@H](N[C@@H]1CCN(c2ccn(C)n2)C1=O)c1ccc(N(C)C)cc1 ZINC000369440236 446121317 /nfs/dbraw/zinc/12/13/17/446121317.db2.gz PSFZSOQZMFFVRP-XJKSGUPXSA-N 0 3 327.432 1.942 20 10 EDCDHN CC[C@@H](c1ccccc1O)N1CCO[C@@H](CN2CCN(C)CC2)C1 ZINC000368811701 447124943 /nfs/dbraw/zinc/12/49/43/447124943.db2.gz YZRDKTDUJQETDU-WMZOPIPTSA-N 0 3 333.476 1.792 20 10 EDCDHN CCN(CC)CC(=O)N1CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000093045070 528085401 /nfs/dbraw/zinc/08/54/01/528085401.db2.gz GNDRSMQGYHYECH-UHFFFAOYSA-N 0 3 332.492 1.739 20 10 EDCDHN CC(C)NS(=O)(=O)NCC[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000760047545 580022070 /nfs/dbraw/zinc/02/20/70/580022070.db2.gz PIUXVDJONDBIHO-JQWIXIFHSA-N 0 3 345.440 1.502 20 10 EDCDHN COc1ccc(N2CCN(C[C@H](O)CN3CC=CCC3)CC2)cc1 ZINC000754260625 579899745 /nfs/dbraw/zinc/89/97/45/579899745.db2.gz CDYPFQUBHYYPLI-GOSISDBHSA-N 0 3 331.460 1.440 20 10 EDCDHN CCN1CCN(CCC[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2[O-])CC1 ZINC000756407641 579949590 /nfs/dbraw/zinc/94/95/90/579949590.db2.gz DTSKCAOQOGVDQD-HNNXBMFYSA-N 0 3 349.475 1.857 20 10 EDCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000768235243 580209508 /nfs/dbraw/zinc/20/95/08/580209508.db2.gz YUYPVCQMJQMQDB-AWEZNQCLSA-N 0 3 334.416 1.472 20 10 EDCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000768235243 580209509 /nfs/dbraw/zinc/20/95/09/580209509.db2.gz YUYPVCQMJQMQDB-AWEZNQCLSA-N 0 3 334.416 1.472 20 10 EDCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000768235244 580209525 /nfs/dbraw/zinc/20/95/25/580209525.db2.gz YUYPVCQMJQMQDB-CQSZACIVSA-N 0 3 334.416 1.472 20 10 EDCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000768235244 580209526 /nfs/dbraw/zinc/20/95/26/580209526.db2.gz YUYPVCQMJQMQDB-CQSZACIVSA-N 0 3 334.416 1.472 20 10 EDCDHN CCN(CC)C(=O)C1CC[NH+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000768441165 580212854 /nfs/dbraw/zinc/21/28/54/580212854.db2.gz WVIFUSHFARMVCL-KRWDZBQOSA-N 0 3 348.443 1.898 20 10 EDCDHN COc1cc(CN2CCN(CCC(=O)N(C)C)CC2)c(O)cc1C ZINC000768461394 580213741 /nfs/dbraw/zinc/21/37/41/580213741.db2.gz CDCXKWJDYCBAPF-UHFFFAOYSA-N 0 3 335.448 1.305 20 10 EDCDHN C[N@H+](CC1CC1)C[C@H]1CCN(Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768465507 580214148 /nfs/dbraw/zinc/21/41/48/580214148.db2.gz IEVHYYBGLRYQAS-RDTXWAMCSA-N 0 3 332.444 1.982 20 10 EDCDHN C[N@@H+](CC1CC1)C[C@H]1CCN(Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768465507 580214149 /nfs/dbraw/zinc/21/41/49/580214149.db2.gz IEVHYYBGLRYQAS-RDTXWAMCSA-N 0 3 332.444 1.982 20 10 EDCDHN CCOc1ccc(CN2CCc3nn(CC)c(=O)cc3C2)c(O)c1 ZINC000769512440 580238817 /nfs/dbraw/zinc/23/88/17/580238817.db2.gz DURZETNSRRBQIO-UHFFFAOYSA-N 0 3 329.400 1.926 20 10 EDCDHN C[C@H](NCC(=O)N1CCO[C@@H](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000775261314 580387106 /nfs/dbraw/zinc/38/71/06/580387106.db2.gz UXVSNTJYBWAWLB-HOTGVXAUSA-N 0 3 347.459 1.421 20 10 EDCDHN COCCS(=O)(=O)CCCN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775835192 580402196 /nfs/dbraw/zinc/40/21/96/580402196.db2.gz FZUWQXJICFQTHV-AWEZNQCLSA-N 0 3 328.478 1.855 20 10 EDCDHN CCOCCOC1CN(Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000779432180 580485530 /nfs/dbraw/zinc/48/55/30/580485530.db2.gz MXFOAYRCWSEFLS-UHFFFAOYSA-N 0 3 333.476 1.676 20 10 EDCDHN O=C(/C=C/c1ccc(O)c(O)c1)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000779505162 580487327 /nfs/dbraw/zinc/48/73/27/580487327.db2.gz GIRQLTBQEZORCI-YERXGYGTSA-N 0 3 346.427 1.824 20 10 EDCDHN COCCCOCCN(C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000779604009 580491012 /nfs/dbraw/zinc/49/10/12/580491012.db2.gz QWLVLDVOZCYGFW-UHFFFAOYSA-N 0 3 335.492 1.923 20 10 EDCDHN Cc1ccncc1CNCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000792977777 580832804 /nfs/dbraw/zinc/83/28/04/580832804.db2.gz NWRCBTUXXWDROU-UHFFFAOYSA-N 0 3 345.468 1.915 20 10 EDCDHN C[C@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2)C[C@]2(CCOC2)O1 ZINC000793361279 580842861 /nfs/dbraw/zinc/84/28/61/580842861.db2.gz GNYKGFRFBQQTSE-PXNSSMCTSA-N 0 3 345.487 1.818 20 10 EDCDHN COc1ccc(CNCc2c(C)nn(C)c2N2CCOCC2)c(O)c1 ZINC000793388631 580843239 /nfs/dbraw/zinc/84/32/39/580843239.db2.gz QLIWPEDCWWVARL-UHFFFAOYSA-N 0 3 346.431 1.569 20 10 EDCDHN CN(C)S(=O)(=O)[C@H]1CCCN(Cc2cc3c(cc2O)CCC3)C1 ZINC000795660049 580933243 /nfs/dbraw/zinc/93/32/43/580933243.db2.gz YBZKUIOOQMZLJQ-INIZCTEOSA-N 0 3 338.473 1.737 20 10 EDCDHN CN(C)CCOc1ccc(N(C)C(=O)c2ccoc2CC(N)=O)cc1 ZINC000796362039 580952047 /nfs/dbraw/zinc/95/20/47/580952047.db2.gz JABQTKDUEQNJHR-UHFFFAOYSA-N 0 3 345.399 1.524 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)NCc2cc[nH]n2)N(C)C)cc1 ZINC000892064002 590779786 /nfs/dbraw/zinc/77/97/86/590779786.db2.gz SUCKVQCALJOFLW-INIZCTEOSA-N 0 3 330.436 1.578 20 10 EDCDHN COC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891241656 591013039 /nfs/dbraw/zinc/01/30/39/591013039.db2.gz BZSPHRPEQMLBOC-ARFHVFGLSA-N 0 3 333.432 1.281 20 10 EDCDHN Cc1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)ncn1 ZINC000891251075 591019271 /nfs/dbraw/zinc/01/92/71/591019271.db2.gz DAAGLVCYOLTUGO-QGZVFWFLSA-N 0 3 327.432 1.884 20 10 EDCDHN COc1ccc(O)c(CN2CCC(N3CCCS3(=O)=O)CC2)c1 ZINC000840954495 591026941 /nfs/dbraw/zinc/02/69/41/591026941.db2.gz KDARATBZYNTRTF-UHFFFAOYSA-N 0 3 340.445 1.401 20 10 EDCDHN COc1ccc(N2CC[C@@H](NC(=O)NCCN3CC[C@H](C)C3)C2)cc1 ZINC000895651091 591237942 /nfs/dbraw/zinc/23/79/42/591237942.db2.gz SXXPYSMLBJMQJS-JKSUJKDBSA-N 0 3 346.475 1.915 20 10 EDCDHN COC(=O)c1c(CNC[C@@]2(O)CCOC2)c2cc(F)ccc2n1C ZINC000894359783 591289338 /nfs/dbraw/zinc/28/93/38/591289338.db2.gz RJAZJYTWGSIELE-KRWDZBQOSA-N 0 3 336.363 1.345 20 10 EDCDHN COc1ccc(N2CCC(N[C@H](C)C3N=NC(=O)N3C)CC2)cc1 ZINC000895175581 591641245 /nfs/dbraw/zinc/64/12/45/591641245.db2.gz KIYQMYYVFSABLY-GFCCVEGCSA-N 0 3 331.420 1.849 20 10 EDCDHN CN(C)CCOCCNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000788017437 591648278 /nfs/dbraw/zinc/64/82/78/591648278.db2.gz KLZBQOIPNBLHEI-UHFFFAOYSA-N 0 3 334.464 1.664 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)N2CC[C@](C)(O)C2)N(C)C)cc1 ZINC000899101380 591681888 /nfs/dbraw/zinc/68/18/88/591681888.db2.gz HLFKKDYHPCWQLN-AEFFLSMTSA-N 0 3 334.464 1.522 20 10 EDCDHN COC[C@@H]1CCN1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899101268 591681963 /nfs/dbraw/zinc/68/19/63/591681963.db2.gz GWXHADNELFYLLE-DLBZAZTESA-N 0 3 334.464 1.786 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)N2CCC[C@]2(C)CO)N(C)C)cc1 ZINC000899103566 591683517 /nfs/dbraw/zinc/68/35/17/591683517.db2.gz MWUVTNIOMXITKJ-IEBWSBKVSA-N 0 3 348.491 1.912 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)N[C@](C)(CO)C2CC2)N(C)C)cc1 ZINC000899103042 591683627 /nfs/dbraw/zinc/68/36/27/591683627.db2.gz VOTUELVYHXEJCS-IEBWSBKVSA-N 0 3 348.491 1.816 20 10 EDCDHN C[C@@]1([C@@H]2CCC[N@H+](Cc3cc4c(cc3[O-])OCO4)C2)COC(=O)N1 ZINC000905708037 592617981 /nfs/dbraw/zinc/61/79/81/592617981.db2.gz MPJWLMNYXUDCSE-PXAZEXFGSA-N 0 3 334.372 1.831 20 10 EDCDHN C[C@@]1([C@@H]2CCC[N@@H+](Cc3cc4c(cc3[O-])OCO4)C2)COC(=O)N1 ZINC000905708037 592617983 /nfs/dbraw/zinc/61/79/83/592617983.db2.gz MPJWLMNYXUDCSE-PXAZEXFGSA-N 0 3 334.372 1.831 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)C[C@](C)(O)C(F)(F)F)cc1 ZINC000911667722 592974665 /nfs/dbraw/zinc/97/46/65/592974665.db2.gz RDDAMTINJPHZMG-JSGCOSHPSA-N 0 3 333.354 1.572 20 10 EDCDHN O=C([C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1)N1CCCC1 ZINC000808207051 593239308 /nfs/dbraw/zinc/23/93/08/593239308.db2.gz MNYXHCSGKXDRRK-WBMJQRKESA-N 0 3 332.400 1.262 20 10 EDCDHN O=C([C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1)N1CCCC1 ZINC000808207051 593239310 /nfs/dbraw/zinc/23/93/10/593239310.db2.gz MNYXHCSGKXDRRK-WBMJQRKESA-N 0 3 332.400 1.262 20 10 EDCDHN COC1CCN(c2ccc(CN3CCC[C@@](O)(CO)C3)cc2)CC1 ZINC000839147361 593264587 /nfs/dbraw/zinc/26/45/87/593264587.db2.gz IOAJTAPUMSDLIJ-IBGZPJMESA-N 0 3 334.460 1.621 20 10 EDCDHN CN(C)c1ccc(CNC(=O)CN2CCC[C@@H]3COCC[C@H]32)cc1 ZINC000839502758 593311756 /nfs/dbraw/zinc/31/17/56/593311756.db2.gz KVGTVTXRGBKORQ-SJLPKXTDSA-N 0 3 331.460 1.870 20 10 EDCDHN CC[C@H](Cn1cncn1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000810211093 593388590 /nfs/dbraw/zinc/38/85/90/593388590.db2.gz MEFITDHDWZBPSW-OAHLLOKOSA-N 0 3 333.411 1.822 20 10 EDCDHN COc1ccc(N2CCN(C[C@@H](O)CN3CC(C4CC4)C3)CC2)cc1 ZINC000812312753 593495770 /nfs/dbraw/zinc/49/57/70/593495770.db2.gz FTUMBKXAFMPYIU-LJQANCHMSA-N 0 3 345.487 1.520 20 10 EDCDHN CCN(C)c1ccc(CN2CCC(CNS(C)(=O)=O)CC2)cc1 ZINC000815116479 593616272 /nfs/dbraw/zinc/61/62/72/593616272.db2.gz PDNCXXKNPBFWSE-UHFFFAOYSA-N 0 3 339.505 1.904 20 10 EDCDHN C[C@@H](CNCc1ccc(N2CCSCC2)cc1)S(C)(=O)=O ZINC000818964144 593730838 /nfs/dbraw/zinc/73/08/38/593730838.db2.gz MGOWCMFZHHKDMN-ZDUSSCGKSA-N 0 3 328.503 1.763 20 10 EDCDHN CC1CCN(CCN2C(=O)CN(Cc3ccccc3O)C2=O)CC1 ZINC000819165340 593742129 /nfs/dbraw/zinc/74/21/29/593742129.db2.gz UTVNYJOBQAJDEK-UHFFFAOYSA-N 0 3 331.416 1.888 20 10 EDCDHN COc1ccc(N2CC[C@@H](CNC(=O)C(C)S(C)(=O)=O)C2)cc1 ZINC000819582428 593759680 /nfs/dbraw/zinc/75/96/80/593759680.db2.gz HEACCZKLAJTDGL-OLZOCXBDSA-N 0 3 340.445 1.071 20 10 EDCDHN COc1nccc(CNCc2ccc(N3CCN(C)CC3)cc2)n1 ZINC000824549155 594036725 /nfs/dbraw/zinc/03/67/25/594036725.db2.gz ZZJNNJIRXIBJGW-UHFFFAOYSA-N 0 3 327.432 1.527 20 10 EDCDHN COc1ccc(N2CCN(C(=O)C(N)C(F)(F)F)CC2)cc1F ZINC000831147212 594568675 /nfs/dbraw/zinc/56/86/75/594568675.db2.gz WJHQRQUKZYZYCZ-GFCCVEGCSA-N 0 3 335.301 1.373 20 10 EDCDHN NC(C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)C(F)(F)F ZINC000827364310 594664939 /nfs/dbraw/zinc/66/49/39/594664939.db2.gz HLHSPTDQUDQSOM-CYBMUJFWSA-N 0 3 349.328 1.293 20 10 EDCDHN COC(=O)N(C)CCCC(=O)NC[C@H](N)c1ccc(N(C)C)cc1 ZINC000832274770 594739565 /nfs/dbraw/zinc/73/95/65/594739565.db2.gz XXVBBVWSGYDSOB-HNNXBMFYSA-N 0 3 336.436 1.347 20 10 EDCDHN Cc1cc(C)c([C@@H](C)[NH2+]CCCCn2cc(C(N)=O)nn2)c([O-])c1 ZINC000840897331 594824858 /nfs/dbraw/zinc/82/48/58/594824858.db2.gz ROQNUBNAISTHND-CYBMUJFWSA-N 0 3 331.420 1.830 20 10 EDCDHN C[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)Nc2ccc(N)cc2)C1 ZINC000841018984 594840375 /nfs/dbraw/zinc/84/03/75/594840375.db2.gz BSZRNAQFGMAHSJ-ZDUSSCGKSA-N 0 3 332.448 1.834 20 10 EDCDHN O=C(NCc1cc(Br)ccc1[O-])NCC1=CC[NH2+]CC1 ZINC000841973122 594993037 /nfs/dbraw/zinc/99/30/37/594993037.db2.gz MNBJNWMSERVSDZ-UHFFFAOYSA-N 0 3 340.221 1.874 20 10 EDCDHN CN(C)c1ccc(CN(C)C(=O)N[C@H]2CNCCC2(F)F)cc1 ZINC000842006135 595000341 /nfs/dbraw/zinc/00/03/41/595000341.db2.gz VNHPPXOCDGOJCC-AWEZNQCLSA-N 0 3 326.391 1.891 20 10 EDCDHN CCCC[C@@H](CN)NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000842170491 595028385 /nfs/dbraw/zinc/02/83/85/595028385.db2.gz HBWJTPCSEJZOAT-INIZCTEOSA-N 0 3 344.459 1.313 20 10 EDCDHN COCCCCN(C)CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000842173739 595028852 /nfs/dbraw/zinc/02/88/52/595028852.db2.gz STONEZZXDFJPEL-UHFFFAOYSA-N 0 3 349.475 1.702 20 10 EDCDHN COc1cccc([C@H](C)[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)c1[O-] ZINC000846156218 595160485 /nfs/dbraw/zinc/16/04/85/595160485.db2.gz CQHDOEFUZKUEBZ-NWDGAFQWSA-N 0 3 328.434 1.333 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNS(=O)(=O)C[C@@H]2CCCCO2)cc1 ZINC000842784733 595197322 /nfs/dbraw/zinc/19/73/22/595197322.db2.gz LILXBPWZIKUAJG-HOTGVXAUSA-N 0 3 341.477 1.241 20 10 EDCDHN [O-]c1c(Br)cccc1CN1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000843121082 595291781 /nfs/dbraw/zinc/29/17/81/595291781.db2.gz FEZLSIHVLKPBOJ-CYBMUJFWSA-N 0 3 340.265 1.634 20 10 EDCDHN O=[N+]([O-])c1cc(Cl)cc(CN2CC[C@@H](N3CC[NH2+]CC3)C2)c1[O-] ZINC000843121488 595291933 /nfs/dbraw/zinc/29/19/33/595291933.db2.gz HXWXUFYMZDABMV-CYBMUJFWSA-N 0 3 340.811 1.433 20 10 EDCDHN COc1ccc(N(C)CCN(C)C(=O)N[C@H]2CCCN(C)C2)cc1 ZINC000844905522 595411062 /nfs/dbraw/zinc/41/10/62/595411062.db2.gz CXKTZVGLYKLKLV-HNNXBMFYSA-N 0 3 334.464 1.867 20 10 EDCDHN CCc1cccc(CN[C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)c1O ZINC000848897448 595464247 /nfs/dbraw/zinc/46/42/47/595464247.db2.gz IZGKCQDUVAZUSS-WBMJQRKESA-N 0 3 328.416 1.972 20 10 EDCDHN CCc1cccc(CN[C@@H]2CCN(c3cc(C)nn3C)C2=O)c1O ZINC000848898903 595464720 /nfs/dbraw/zinc/46/47/20/595464720.db2.gz ZZQMLTQKMVRUKI-OAHLLOKOSA-N 0 3 328.416 1.892 20 10 EDCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H](N3CCOCC3)CC1)OCO2 ZINC000848929941 595468835 /nfs/dbraw/zinc/46/88/35/595468835.db2.gz LQRFBWADIOGTNG-OAHLLOKOSA-N 0 3 334.416 1.808 20 10 EDCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H](N3CCOCC3)CC1)OCO2 ZINC000848929941 595468836 /nfs/dbraw/zinc/46/88/36/595468836.db2.gz LQRFBWADIOGTNG-OAHLLOKOSA-N 0 3 334.416 1.808 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNS(=O)(=O)c2cccc(N)c2)cc1 ZINC000850586650 595538375 /nfs/dbraw/zinc/53/83/75/595538375.db2.gz BCTZLNUUIGOPIS-MRXNPFEDSA-N 0 3 334.445 1.313 20 10 EDCDHN Cc1cc([O-])c(C[NH2+][C@@H]2CCN(c3ccc4nncn4n3)C2)cc1C ZINC000858243897 595741366 /nfs/dbraw/zinc/74/13/66/595741366.db2.gz QBFOZHFROYYFFR-OAHLLOKOSA-N 0 3 338.415 1.815 20 10 EDCDHN CCCN1CC[C@@H](NC(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000852003750 596004007 /nfs/dbraw/zinc/00/40/07/596004007.db2.gz AUTFMBIXEGOAQJ-QGZVFWFLSA-N 0 3 346.475 1.807 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@H]1C[C@@H](O)C13CCC3)cc2=O ZINC000852584962 596205992 /nfs/dbraw/zinc/20/59/92/596205992.db2.gz VMHMULZEADIWFO-QWHCGFSZSA-N 0 3 346.387 1.005 20 10 EDCDHN CCc1cccc(C[N@@H+]2CCC[C@H](CS(=O)(=O)NC)C2)c1[O-] ZINC000862550379 596344768 /nfs/dbraw/zinc/34/47/68/596344768.db2.gz DUEMOQRDJAWJQD-ZDUSSCGKSA-N 0 3 326.462 1.716 20 10 EDCDHN CCc1cccc(C[N@H+]2CCC[C@H](CS(=O)(=O)NC)C2)c1[O-] ZINC000862550379 596344770 /nfs/dbraw/zinc/34/47/70/596344770.db2.gz DUEMOQRDJAWJQD-ZDUSSCGKSA-N 0 3 326.462 1.716 20 10 EDCDHN COc1ccc(N2CCN(CCCNCc3ccon3)CC2)cc1 ZINC000873009935 597159209 /nfs/dbraw/zinc/15/92/09/597159209.db2.gz XFXWVPPPOAMPPJ-UHFFFAOYSA-N 0 3 330.432 1.985 20 10 EDCDHN CCCS(=O)(=O)NC1CC[NH+](Cc2c(C)cccc2[O-])CC1 ZINC000876569262 597244699 /nfs/dbraw/zinc/24/46/99/597244699.db2.gz DRCZUCPGQQLTEO-UHFFFAOYSA-N 0 3 326.462 1.994 20 10 EDCDHN COC[C@@]1(C(=O)N(C)CCN(C)c2ccc(OC)cc2)CCCCN1 ZINC000876949242 597394095 /nfs/dbraw/zinc/39/40/95/597394095.db2.gz PMKZSOZKPJBFKQ-LJQANCHMSA-N 0 3 349.475 1.749 20 10 EDCDHN CN(C)CCOc1ccc(N(C)CC2CCS(=O)(=O)CC2)cc1 ZINC000877343466 597496558 /nfs/dbraw/zinc/49/65/58/597496558.db2.gz YMNXOAVQJWDUMI-UHFFFAOYSA-N 0 3 340.489 1.888 20 10 EDCDHN CN(C)C(=O)O[C@H]1CCN(Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877558371 597535019 /nfs/dbraw/zinc/53/50/19/597535019.db2.gz FVJWRRNRUWTAHA-SFHVURJKSA-N 0 3 347.459 1.920 20 10 EDCDHN CN(C)c1ccc(CNC(=O)CN2CC[C@H]3OCCC[C@H]3C2)cc1 ZINC000246938861 249313140 /nfs/dbraw/zinc/31/31/40/249313140.db2.gz WUILHRLIJXVPAF-FUHWJXTLSA-N 0 3 331.460 1.870 20 10 EDCDHN CN(C)c1ccc(C2=CCN(CCCN3C(=O)CNC3=O)C2)cc1 ZINC000361110465 250170450 /nfs/dbraw/zinc/17/04/50/250170450.db2.gz VVYIBQRGCHTCRQ-UHFFFAOYSA-N 0 3 328.416 1.394 20 10 EDCDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000283658629 300216287 /nfs/dbraw/zinc/21/62/87/300216287.db2.gz YCPDEDZYVGQEQQ-YOEHRIQHSA-N 0 3 346.475 1.167 20 10 EDCDHN O=C(NCCN1CCCCC1)NCc1ccc(N2CCOCC2)cc1 ZINC000054786782 441597251 /nfs/dbraw/zinc/59/72/51/441597251.db2.gz FFURXSSHBLCZGD-UHFFFAOYSA-N 0 3 346.475 1.808 20 10 EDCDHN C[C@@H](N[C@@H](C)Cn1cncn1)c1ccc(N2CCOCC2)c(F)c1 ZINC000164220269 442192764 /nfs/dbraw/zinc/19/27/64/442192764.db2.gz WEASJEAEJFYXLY-UONOGXRCSA-N 0 3 333.411 1.993 20 10 EDCDHN Cc1cccc(CNCCS(=O)(=O)NC[C@H]2CCCCO2)c1O ZINC000182251767 442750066 /nfs/dbraw/zinc/75/00/66/442750066.db2.gz AGUIGYNXIUTUQW-OAHLLOKOSA-N 0 3 342.461 1.279 20 10 EDCDHN CCN1CCN([C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3)C2)CC1 ZINC000272440085 443317584 /nfs/dbraw/zinc/31/75/84/443317584.db2.gz MLXIOJPOQLXDCN-MQDFFIGUSA-N 0 3 345.443 1.349 20 10 EDCDHN CCOc1ccc(O)c(CN2CCC(S(=O)(=O)NC)CC2)c1 ZINC000271177815 443495064 /nfs/dbraw/zinc/49/50/64/443495064.db2.gz LAMAJLWTUYIMCV-UHFFFAOYSA-N 0 3 328.434 1.305 20 10 EDCDHN CCOC(=O)[C@H](C)[C@@H](C)NCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000273973327 443588891 /nfs/dbraw/zinc/58/88/91/443588891.db2.gz HSEXYMOIGIYNMA-HUUCEWRRSA-N 0 3 349.475 1.888 20 10 EDCDHN CC(C)NS(=O)(=O)NCCN[C@H](C)c1ccc(N(C)C)cc1 ZINC000277112513 443916634 /nfs/dbraw/zinc/91/66/34/443916634.db2.gz MSBWVGLFKCVIOP-CYBMUJFWSA-N 0 3 328.482 1.236 20 10 EDCDHN Cc1cccc(C[NH2+]C[C@H]2CCCC[C@H]2NS(C)(=O)=O)c1[O-] ZINC000289511067 444162384 /nfs/dbraw/zinc/16/23/84/444162384.db2.gz GTOPOFWPSHRTGT-UKRRQHHQSA-N 0 3 326.462 1.898 20 10 EDCDHN CN(C)c1ccc(CN2CCC(n3cnc(C(N)=O)c3N)CC2)cc1 ZINC000297639262 444312019 /nfs/dbraw/zinc/31/20/19/444312019.db2.gz MPHTYEMRIKTAFL-UHFFFAOYSA-N 0 3 342.447 1.467 20 10 EDCDHN CC[C@@H]([NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1ccccc1[O-] ZINC000363704631 445870575 /nfs/dbraw/zinc/87/05/75/445870575.db2.gz HQYASNGZPPHQRZ-SJLPKXTDSA-N 0 3 333.476 1.839 20 10 EDCDHN C[C@@H]1C[C@@H](N2CCCC2)CN1c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000376206581 446380559 /nfs/dbraw/zinc/38/05/59/446380559.db2.gz ZUHWYTSRNDZAKO-VXGBXAGGSA-N 0 3 346.387 1.989 20 10 EDCDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCCN2CCCN(C)CC2)c1 ZINC000273570604 491239992 /nfs/dbraw/zinc/23/99/92/491239992.db2.gz KMNMIDOSYSGVOP-HNNXBMFYSA-N 0 3 349.475 1.857 20 10 EDCDHN CCN(C1CCN(Cc2cccc(OC)c2O)CC1)S(C)(=O)=O ZINC000093320749 527875832 /nfs/dbraw/zinc/87/58/32/527875832.db2.gz RIGFCPNXTJFHKR-UHFFFAOYSA-N 0 3 342.461 1.647 20 10 EDCDHN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CN(C)C1CCC1 ZINC000743852777 579492362 /nfs/dbraw/zinc/49/23/62/579492362.db2.gz GRSHLVNIKWXXPG-UHFFFAOYSA-N 0 3 331.460 1.966 20 10 EDCDHN CC(C)NS(=O)(=O)NCC[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000760047548 580022100 /nfs/dbraw/zinc/02/21/00/580022100.db2.gz PIUXVDJONDBIHO-PWSUYJOCSA-N 0 3 345.440 1.502 20 10 EDCDHN COc1cc(C)cc(CN2CCC(N(C)S(C)(=O)=O)CC2)c1O ZINC000754720132 579910029 /nfs/dbraw/zinc/91/00/29/579910029.db2.gz KROJJIOBXXAKDH-UHFFFAOYSA-N 0 3 342.461 1.565 20 10 EDCDHN CNS(=O)(=O)C[C@@H]1CCCN1Cc1cc(C)cc(OC)c1O ZINC000754740514 579910577 /nfs/dbraw/zinc/91/05/77/579910577.db2.gz UNLPQFAFYHFYLO-ZDUSSCGKSA-N 0 3 328.434 1.223 20 10 EDCDHN CCN1CCN([C@@H](C)C[NH2+][C@H](C)c2cc(C(=O)OC)ccc2[O-])CC1 ZINC000756411386 579949687 /nfs/dbraw/zinc/94/96/87/579949687.db2.gz OYYRSIHBSKXMSU-LSDHHAIUSA-N 0 3 349.475 1.855 20 10 EDCDHN CCOc1ccc(CN2CCN(C(=O)[C@@H]3CCCN3C)CC2)c(O)c1 ZINC000769532748 580239399 /nfs/dbraw/zinc/23/93/99/580239399.db2.gz MJSGIILRFWCMDK-KRWDZBQOSA-N 0 3 347.459 1.529 20 10 EDCDHN C[C@@H](NC(=O)C(=O)NC1CCN(C)CC1)c1ccc(N(C)C)cc1 ZINC000774857338 580375857 /nfs/dbraw/zinc/37/58/57/580375857.db2.gz ZUHMYJGTWZINDZ-CYBMUJFWSA-N 0 3 332.448 1.140 20 10 EDCDHN COc1cccc([O-])c1C[NH2+][C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000776701411 580426717 /nfs/dbraw/zinc/42/67/17/580426717.db2.gz QYCQSDIRYXBNGK-CYBMUJFWSA-N 0 3 341.411 1.868 20 10 EDCDHN COc1cccc([O-])c1C[NH2+][C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000776701412 580426733 /nfs/dbraw/zinc/42/67/33/580426733.db2.gz QYCQSDIRYXBNGK-ZDUSSCGKSA-N 0 3 341.411 1.868 20 10 EDCDHN COCCO[C@H]1COCC[C@@H]1NCc1ccc(N(C)C)c(F)c1 ZINC000776811895 580429464 /nfs/dbraw/zinc/42/94/64/580429464.db2.gz CNNFQJDTIZVPTG-RDJZCZTQSA-N 0 3 326.412 1.802 20 10 EDCDHN CN(C)c1ccc(CN(C)C(=O)CN2CC[C@@H]3CN(C)C[C@@H]32)cc1 ZINC000794926598 580908354 /nfs/dbraw/zinc/90/83/54/580908354.db2.gz CNEOEYDLLRBDHT-AEFFLSMTSA-N 0 3 330.476 1.347 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)N(C)C)cc1 ZINC000891242405 591013219 /nfs/dbraw/zinc/01/32/19/591013219.db2.gz GBANEDCPQRDXGK-LHIBYTEYSA-N 0 3 343.471 1.895 20 10 EDCDHN COCc1nc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)no1 ZINC000891247181 591016791 /nfs/dbraw/zinc/01/67/91/591016791.db2.gz GRROQDGVUHTUJO-CQSZACIVSA-N 0 3 347.419 1.315 20 10 EDCDHN CC[C@]1(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CCNC1=O ZINC000891248204 591018216 /nfs/dbraw/zinc/01/82/16/591018216.db2.gz WWYDTEZOUKRLET-APWZRJJASA-N 0 3 346.475 1.388 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCCCN2C)N(C)C)cc1 ZINC000891252678 591020037 /nfs/dbraw/zinc/02/00/37/591020037.db2.gz MDSYRFKOEAVZIW-MSOLQXFVSA-N 0 3 332.492 1.956 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)/C=C/c2cnccn2)N(C)C)cc1 ZINC000891255956 591021910 /nfs/dbraw/zinc/02/19/10/591021910.db2.gz UBTJJTIPHHTBFL-HKMNZKMDSA-N 0 3 339.443 1.975 20 10 EDCDHN CN(C)c1ccc(/C=C/CN[C@@H]2C(=O)NCC23CCOCC3)cc1 ZINC000895769114 591268793 /nfs/dbraw/zinc/26/87/93/591268793.db2.gz MUKAACUQCRNYPS-REMYHPOOSA-N 0 3 329.444 1.651 20 10 EDCDHN COc1cc(C)cc(CN[C@H]2CCN(C3CCOCC3)C2=O)c1O ZINC000894325376 591279291 /nfs/dbraw/zinc/27/92/91/591279291.db2.gz SEPBYHOJSMXOPX-HNNXBMFYSA-N 0 3 334.416 1.579 20 10 EDCDHN C[C@H](O)[C@H]1CCN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000899102140 591682375 /nfs/dbraw/zinc/68/23/75/591682375.db2.gz KHJGUXRAMJUWTI-QILLFSRXSA-N 0 3 348.491 1.768 20 10 EDCDHN C[C@@H]1CN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CCO1 ZINC000899104551 591684177 /nfs/dbraw/zinc/68/41/77/591684177.db2.gz RKCIVIGGDGWWAW-PBHICJAKSA-N 0 3 334.464 1.786 20 10 EDCDHN CN(C)c1ccc(C[NH2+][C@@H]2CCN(c3cc(=O)[n-]cn3)C2)cc1F ZINC000898155557 591805692 /nfs/dbraw/zinc/80/56/92/591805692.db2.gz PFFILZFNFFFLDM-CYBMUJFWSA-N 0 3 331.395 1.756 20 10 EDCDHN COC[C@@]1(C)NC(=O)N(C[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1=O ZINC000900184406 591932525 /nfs/dbraw/zinc/93/25/25/591932525.db2.gz BSWLPCUTUVVTOQ-MAUKXSAKSA-N 0 3 348.447 1.312 20 10 EDCDHN CO[C@]1(C[NH2+][C@H](C)c2ccc(C)c(C)c2[O-])CCS(=O)(=O)C1 ZINC000903364779 592159646 /nfs/dbraw/zinc/15/96/46/592159646.db2.gz BSLVCEIWHMDIDE-CJNGLKHVSA-N 0 3 327.446 1.863 20 10 EDCDHN CO[C@]1(CN[C@H](C)c2ccc(C)c(C)c2O)CCS(=O)(=O)C1 ZINC000903364779 592159648 /nfs/dbraw/zinc/15/96/48/592159648.db2.gz BSLVCEIWHMDIDE-CJNGLKHVSA-N 0 3 327.446 1.863 20 10 EDCDHN CCN(CC)c1ccc(CNC[C@H](O)C[C@]2(O)CCOC2)cc1F ZINC000905105550 592408148 /nfs/dbraw/zinc/40/81/48/592408148.db2.gz LSPQQLOLGBAXIR-CRAIPNDOSA-N 0 3 340.439 1.664 20 10 EDCDHN C[C@]1([C@@H]2CCC[N@H+](Cc3cc4c(cc3[O-])OCO4)C2)COC(=O)N1 ZINC000905708039 592618624 /nfs/dbraw/zinc/61/86/24/592618624.db2.gz MPJWLMNYXUDCSE-SJKOYZFVSA-N 0 3 334.372 1.831 20 10 EDCDHN C[C@]1([C@@H]2CCC[N@@H+](Cc3cc4c(cc3[O-])OCO4)C2)COC(=O)N1 ZINC000905708039 592618626 /nfs/dbraw/zinc/61/86/26/592618626.db2.gz MPJWLMNYXUDCSE-SJKOYZFVSA-N 0 3 334.372 1.831 20 10 EDCDHN C[C@@H]1c2c[nH]nc2CC[C@@H]1C(=O)NC[C@H](N)c1ccc(N(C)C)cc1 ZINC000911668212 592974553 /nfs/dbraw/zinc/97/45/53/592974553.db2.gz WJPWXRBMPQHTAB-NUTKFTJISA-N 0 3 341.459 1.958 20 10 EDCDHN COc1ccc(N2CCN(C[C@H](O)CN3C[C@@H](C)[C@@H]3C)CC2)cc1 ZINC000815163883 593618914 /nfs/dbraw/zinc/61/89/14/593618914.db2.gz RWTGYYKLLOINNH-RYRKJORJSA-N 0 3 333.476 1.518 20 10 EDCDHN C[C@@H](CN)N(C)C(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000817993561 593654500 /nfs/dbraw/zinc/65/45/00/593654500.db2.gz KPHUSNQIFNWCTM-HNNXBMFYSA-N 0 3 346.475 1.441 20 10 EDCDHN CCN(CC)c1ccc(CNC[C@@H](O)CN2CCN(C)CC2)cc1 ZINC000818965153 593730765 /nfs/dbraw/zinc/73/07/65/593730765.db2.gz QDBXTFCEPZDAAV-LJQANCHMSA-N 0 3 334.508 1.231 20 10 EDCDHN CCOC[C@H](O)CNCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000818966564 593730899 /nfs/dbraw/zinc/73/08/99/593730899.db2.gz LFMXLMXTPJSHTH-IIAWOOMASA-N 0 3 340.439 1.926 20 10 EDCDHN CN(Cc1ccc(N2CCN(C)CC2)cc1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000824501636 594025296 /nfs/dbraw/zinc/02/52/96/594025296.db2.gz QUQAUFMCRHCVMT-UXHICEINSA-N 0 3 344.503 1.343 20 10 EDCDHN CN1CCN(c2ccc(CN3CCC[C@@H](n4ccnn4)C3)cc2)CC1 ZINC000822503363 594058921 /nfs/dbraw/zinc/05/89/21/594058921.db2.gz GXKIPGYDSYACQI-LJQANCHMSA-N 0 3 340.475 1.867 20 10 EDCDHN O=C1CC[C@@H]([NH+]2CCN(Cc3cc(Cl)ccc3[O-])CC2)CCN1 ZINC000825148146 594136699 /nfs/dbraw/zinc/13/66/99/594136699.db2.gz QWZKHQXOUUIOCB-OAHLLOKOSA-N 0 3 337.851 1.832 20 10 EDCDHN COC1CCN(c2ccc(CN(C)CC(C)(CO)CO)cc2)CC1 ZINC000828091646 594339414 /nfs/dbraw/zinc/33/94/14/594339414.db2.gz TXDYYQSSKKXIGX-UHFFFAOYSA-N 0 3 336.476 1.725 20 10 EDCDHN COC(=O)CC[C@@H](N)C(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000828353233 594398823 /nfs/dbraw/zinc/39/88/23/594398823.db2.gz LEKCDDRXSCNHHA-MRXNPFEDSA-N 0 3 349.431 1.061 20 10 EDCDHN N[C@@H](C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)C1CCC1 ZINC000827365416 594665132 /nfs/dbraw/zinc/66/51/32/594665132.db2.gz RSDZUUXHGNNDHL-QGZVFWFLSA-N 0 3 335.423 1.530 20 10 EDCDHN CC[C@H](C)[C@H](N)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000827468930 594675090 /nfs/dbraw/zinc/67/50/90/594675090.db2.gz HEAKMDQJULROBH-QRTARXTBSA-N 0 3 346.475 1.378 20 10 EDCDHN CC(C)CC(=O)NCCC(=O)NC[C@@H](N)c1ccc(N(C)C)cc1 ZINC000832272978 594739460 /nfs/dbraw/zinc/73/94/60/594739460.db2.gz KVMBISNSKVRRAB-MRXNPFEDSA-N 0 3 334.464 1.421 20 10 EDCDHN COC(=O)[C@@H]1CCC[C@H](C(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)C1 ZINC000832274825 594739586 /nfs/dbraw/zinc/73/95/86/594739586.db2.gz ZFNRFAPJPMLULL-ZMSDIMECSA-N 0 3 347.459 1.848 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)CNC(=O)C2CCCCC2)cc1 ZINC000832293433 594740726 /nfs/dbraw/zinc/74/07/26/594740726.db2.gz WSMGAUOLRSZSSO-KRWDZBQOSA-N 0 3 346.475 1.565 20 10 EDCDHN Cc1ccc(NC(=O)C(=O)NC[C@H](N)c2ccc(N(C)C)cc2)cc1 ZINC000843297381 595066278 /nfs/dbraw/zinc/06/62/78/595066278.db2.gz IVXUEVKQOXXSKT-KRWDZBQOSA-N 0 3 340.427 1.816 20 10 EDCDHN COc1cc([O-])c(C[NH2+]CC(C)(C)[C@@]2(O)CCOC2)cc1OC ZINC000843428664 595108515 /nfs/dbraw/zinc/10/85/15/595108515.db2.gz LOZTUALTKIUAHD-QGZVFWFLSA-N 0 3 325.405 1.677 20 10 EDCDHN COc1cccc([C@H](C)[NH2+]CC2CCN(S(C)(=O)=O)CC2)c1[O-] ZINC000846142832 595155684 /nfs/dbraw/zinc/15/56/84/595155684.db2.gz WLKCBBDZTKCHPD-LBPRGKRZSA-N 0 3 342.461 1.723 20 10 EDCDHN O=S(=O)(NCC[NH2+][C@@H]1CCc2cccc([O-])c21)c1ccccc1 ZINC000834541583 595158437 /nfs/dbraw/zinc/15/84/37/595158437.db2.gz ZREXXSIDAOWEKQ-OAHLLOKOSA-N 0 3 332.425 1.948 20 10 EDCDHN C[C@@H]1CCCCN1S(=O)(=O)NC[C@@H](N)c1ccc(N(C)C)cc1 ZINC000842784098 595197656 /nfs/dbraw/zinc/19/76/56/595197656.db2.gz GMAWUZJVTKZWQX-CZUORRHYSA-N 0 3 340.493 1.461 20 10 EDCDHN C[C@@H]1C[C@@H](S(=O)(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)CCO1 ZINC000842785492 595198203 /nfs/dbraw/zinc/19/82/03/595198203.db2.gz NXFKSOULLOYZHS-UHOFOFEASA-N 0 3 341.477 1.239 20 10 EDCDHN CCN1C[C@H](N[C@H](C)c2ccc(N3CCOCC3)c(F)c2)CC1=O ZINC000834889269 595237302 /nfs/dbraw/zinc/23/73/02/595237302.db2.gz HDKGVVUSVXASGW-UKRRQHHQSA-N 0 3 335.423 1.934 20 10 EDCDHN CN(C)c1ccc(/C=C/CN(C)C[C@H](O)CN2CCOCC2)cc1 ZINC000835026408 595247462 /nfs/dbraw/zinc/24/74/62/595247462.db2.gz TUBCSVWIBGUFHW-PXPVJAHISA-N 0 3 333.476 1.391 20 10 EDCDHN CCN(CC)c1ccc(CN2CCC[C@H](N3CCNCC3=O)C2)cc1 ZINC000843065377 595278539 /nfs/dbraw/zinc/27/85/39/595278539.db2.gz LLBPUYCYXYCDOA-IBGZPJMESA-N 0 3 344.503 1.929 20 10 EDCDHN Cc1cc(Br)cc(CN2CCN(C)C[C@H]2C[NH3+])c1[O-] ZINC000843122229 595292483 /nfs/dbraw/zinc/29/24/83/595292483.db2.gz PKAAHWDSPKFIEQ-CYBMUJFWSA-N 0 3 328.254 1.538 20 10 EDCDHN CC(=O)N[C@H](CCC(C)C)C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1 ZINC000852792014 595544798 /nfs/dbraw/zinc/54/47/98/595544798.db2.gz OXEMRKCKDLVFJR-QZTJIDSGSA-N 0 3 348.491 1.810 20 10 EDCDHN O=C(NCc1ccc(N2CCC(O)CC2)cc1)C1(NC2CC2)CCC1 ZINC000852916378 595613419 /nfs/dbraw/zinc/61/34/19/595613419.db2.gz HDMMJKDRWMIROY-UHFFFAOYSA-N 0 3 343.471 1.939 20 10 EDCDHN COc1ccc(N2CC[C@@H](NC(=O)N[C@H](CN)C(F)(F)F)C2)cc1 ZINC000850754204 595622777 /nfs/dbraw/zinc/62/27/77/595622777.db2.gz LFPIXQWCTBKLGV-ZWNOBZJWSA-N 0 3 346.353 1.463 20 10 EDCDHN CN(C)c1cc(F)c(CNCCCn2cc(CO)nn2)cc1F ZINC000858165850 595717682 /nfs/dbraw/zinc/71/76/82/595717682.db2.gz ZZQGQRZXKWJYAK-UHFFFAOYSA-N 0 3 325.363 1.295 20 10 EDCDHN [O-]c1cc2c(cc1C[NH2+][C@@H]1C[C@@H](N3CCOCC3)C13CCC3)OCO2 ZINC000850396234 595827132 /nfs/dbraw/zinc/82/71/32/595827132.db2.gz RUTCHGNBCCNLMN-QZTJIDSGSA-N 0 3 346.427 1.854 20 10 EDCDHN C[NH+](C)CCC[C@@H]1CN(Cc2cc3c(cc2[O-])OC[C@@H]3O)CCO1 ZINC000853625647 595838149 /nfs/dbraw/zinc/83/81/49/595838149.db2.gz UTBPGSZBPOKYGV-PBHICJAKSA-N 0 3 336.432 1.361 20 10 EDCDHN COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3CCCN3C)C2)cc1 ZINC000852187135 596077449 /nfs/dbraw/zinc/07/74/49/596077449.db2.gz LFAUZIFXYKOCLA-GOEBONIOSA-N 0 3 332.448 1.667 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1C[C@H]3COC[C@]3(C)C1)cc2=O ZINC000852534405 596192268 /nfs/dbraw/zinc/19/22/68/596192268.db2.gz LVKSRASHFJAXJA-GTNSWQLSSA-N 0 3 346.387 1.080 20 10 EDCDHN CCc1cccc(C[NH2+]C[C@@]2(CO)COCC3(CCC3)N2C)c1[O-] ZINC000862463946 596333514 /nfs/dbraw/zinc/33/35/14/596333514.db2.gz PEYJJHUMRMYWSD-LJQANCHMSA-N 0 3 334.460 1.660 20 10 EDCDHN CN(Cc1ccc(N2CCOCC2)cc1)C[C@@H](O)C[C@](C)(O)C1CC1 ZINC000863968186 596736700 /nfs/dbraw/zinc/73/67/00/596736700.db2.gz FKRFWXHPMFURPI-PMACEKPBSA-N 0 3 348.487 1.867 20 10 EDCDHN CN1CCCc2cc(CNC[C@H](O)CC3(O)CCOCC3)ccc21 ZINC000872198932 596831503 /nfs/dbraw/zinc/83/15/03/596831503.db2.gz CXAFGSIMRJEFDU-QGZVFWFLSA-N 0 3 334.460 1.451 20 10 EDCDHN CNS(=O)(=O)CCC[NH2+][C@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000866457323 596889698 /nfs/dbraw/zinc/88/96/98/596889698.db2.gz MIURZMJXJIMGND-GFCCVEGCSA-N 0 3 326.462 1.861 20 10 EDCDHN CC(C)N1C[C@H](NCc2ccc(N3CCC(O)CC3)cc2)CC1=O ZINC000877051553 597422710 /nfs/dbraw/zinc/42/27/10/597422710.db2.gz MPOBJMHAUOSWEO-MRXNPFEDSA-N 0 3 331.460 1.747 20 10 EDCDHN C[C@H]1CN(CCCNC(=O)N2Cc3cccc(O)c3C2)CCCO1 ZINC000875533807 597467511 /nfs/dbraw/zinc/46/75/11/597467511.db2.gz FMBIURPHOQBSMK-AWEZNQCLSA-N 0 3 333.432 1.918 20 10 EDCDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000877535282 597532516 /nfs/dbraw/zinc/53/25/16/597532516.db2.gz XRZDNTNHGSXNQZ-AWEZNQCLSA-N 0 3 338.473 1.994 20 10 EDCDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000877535282 597532517 /nfs/dbraw/zinc/53/25/17/597532517.db2.gz XRZDNTNHGSXNQZ-AWEZNQCLSA-N 0 3 338.473 1.994 20 10 EDCDHN COC(=O)[C@H]1C[C@H](O)CN(Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877608564 597541329 /nfs/dbraw/zinc/54/13/29/597541329.db2.gz UGVXWBYPMXHRBR-YJBOKZPZSA-N 0 3 348.443 1.004 20 10 EDCDHN CCOC(=O)N1CCC(NC(=O)C[NH2+][C@@H](C)c2ccccc2[O-])CC1 ZINC000879651777 597674510 /nfs/dbraw/zinc/67/45/10/597674510.db2.gz KMEWDXZQCJVNHN-ZDUSSCGKSA-N 0 3 349.431 1.780 20 10 EDCDHN CNC(=O)[C@H](NC(=O)CN[C@@H](C)c1ccccc1O)c1ccccc1 ZINC000879651390 597674727 /nfs/dbraw/zinc/67/47/27/597674727.db2.gz TXCJXWRKODHWIR-SCLBCKFNSA-N 0 3 341.411 1.646 20 10 EDCDHN C[C@H]([NH2+]CCC(=O)NC(=O)NCC(F)(F)F)c1ccccc1[O-] ZINC000879650947 597674962 /nfs/dbraw/zinc/67/49/62/597674962.db2.gz ZFIZGCLAFUGUAJ-VIFPVBQESA-N 0 3 333.310 1.821 20 10 EDCDHN C[C@H]([NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1cc(F)ccc1[O-] ZINC000359955094 201119082 /nfs/dbraw/zinc/11/90/82/201119082.db2.gz AZJPAYUBPIZTLU-GOEBONIOSA-N 0 3 337.439 1.588 20 10 EDCDHN CCS(=O)(=O)N1CCC([NH2+]Cc2cc(OC)ccc2[O-])CC1 ZINC000237030332 249302090 /nfs/dbraw/zinc/30/20/90/249302090.db2.gz MFHTVLKPGVFZMW-UHFFFAOYSA-N 0 3 328.434 1.305 20 10 EDCDHN C[C@H]1C[C@H](N2CCOCC2)CN1Cc1ccc(N2CCOCC2)cc1 ZINC000377713794 250291186 /nfs/dbraw/zinc/29/11/86/250291186.db2.gz BGMVXFLQYJBWEW-PXNSSMCTSA-N 0 3 345.487 1.818 20 10 EDCDHN CCCN1CCCN(CC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000114462821 441659408 /nfs/dbraw/zinc/65/94/08/441659408.db2.gz IOZWXOXAGRAAGN-UHFFFAOYSA-N 0 3 332.492 1.787 20 10 EDCDHN COc1cc([O-])c(C[NH2+][C@@H](C)CCN2CCN(C)CC2)cc1OC ZINC000186595137 442568992 /nfs/dbraw/zinc/56/89/92/442568992.db2.gz AMZVFKCMAPKLTB-AWEZNQCLSA-N 0 3 337.464 1.525 20 10 EDCDHN O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cccc(O)c1[O-] ZINC000189911201 443027943 /nfs/dbraw/zinc/02/79/43/443027943.db2.gz IZSWWIPDZRJOLX-CABCVRRESA-N 0 3 334.416 1.596 20 10 EDCDHN COc1ccc(N2CCN(CCN[C@@H](C)c3cnccn3)CC2)cc1 ZINC000268853193 443127228 /nfs/dbraw/zinc/12/72/28/443127228.db2.gz UALCCCBNULDEAH-INIZCTEOSA-N 0 3 341.459 1.958 20 10 EDCDHN NC1(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 ZINC000237947362 443189059 /nfs/dbraw/zinc/18/90/59/443189059.db2.gz ICTYXGBLKULFMH-NSHDSACASA-N 0 3 325.359 1.864 20 10 EDCDHN C[C@H](O)C[C@H]1CCCN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000269786298 443440522 /nfs/dbraw/zinc/44/05/22/443440522.db2.gz HXGBEYLDNIHPSN-MAUKXSAKSA-N 0 3 333.476 1.946 20 10 EDCDHN CN(C)c1ccc(CNC(=O)C(=O)N(C)C[C@@H]2CCCN(C)C2)cc1 ZINC000283648480 443681439 /nfs/dbraw/zinc/68/14/39/443681439.db2.gz XPGWOCPSMMAJCQ-MRXNPFEDSA-N 0 3 346.475 1.169 20 10 EDCDHN Cc1ccc([C@H](C)NCCNS(=O)(=O)NC(C)C)c(O)c1C ZINC000277213647 443938337 /nfs/dbraw/zinc/93/83/37/443938337.db2.gz WYEGPSQNXQKZGZ-ZDUSSCGKSA-N 0 3 329.466 1.492 20 10 EDCDHN Cc1ccc([C@H](C)[NH2+]CCNS(=O)(=O)NC(C)C)c([O-])c1C ZINC000277213647 443938342 /nfs/dbraw/zinc/93/83/42/443938342.db2.gz WYEGPSQNXQKZGZ-ZDUSSCGKSA-N 0 3 329.466 1.492 20 10 EDCDHN CN(C)c1ccc(CN2CCC[C@@H](CN(C)S(C)(=O)=O)C2)cc1 ZINC000285565392 444030598 /nfs/dbraw/zinc/03/05/98/444030598.db2.gz JUXIHFMWQFCMPQ-INIZCTEOSA-N 0 3 339.505 1.856 20 10 EDCDHN CCN(Cc1cc(Br)ccc1[O-])C(=O)C[C@@H](C[NH3+])OC ZINC000278194202 444114430 /nfs/dbraw/zinc/11/44/30/444114430.db2.gz FULIPGXYTUDCEK-LBPRGKRZSA-N 0 3 345.237 1.867 20 10 EDCDHN COc1cccc(CNC(=O)Nc2ccnn2CCN(C)C)c1O ZINC000297387155 444284548 /nfs/dbraw/zinc/28/45/48/444284548.db2.gz MKLFIKZZKVLSEK-UHFFFAOYSA-N 0 3 333.392 1.481 20 10 EDCDHN COc1cc([O-])c(C[NH2+]C[C@H]2CCCN2c2cccnn2)cc1OC ZINC000362232545 446277417 /nfs/dbraw/zinc/27/74/17/446277417.db2.gz CLNUPWLJRGGDHC-CQSZACIVSA-N 0 3 344.415 1.958 20 10 EDCDHN CN1CC[C@@H]2CCN(c3cc4c(cc3[N+](=O)[O-])OCC(=O)N4)C[C@@H]21 ZINC000375047234 446540729 /nfs/dbraw/zinc/54/07/29/446540729.db2.gz CIJCHHPFIJJLSK-YGRLFVJLSA-N 0 3 332.360 1.456 20 10 EDCDHN O=C(NCc1ccc(N2CCOCC2)cc1)N1CCN2CCC1CC2 ZINC000376627573 446615418 /nfs/dbraw/zinc/61/54/18/446615418.db2.gz OMLSHJLFLZTJFI-UHFFFAOYSA-N 0 3 344.459 1.513 20 10 EDCDHN CCN(CC)c1ccc(CNC(=O)[C@@H]2CN3CCN2CCC3)cc1 ZINC000371239812 446709206 /nfs/dbraw/zinc/70/92/06/446709206.db2.gz QWIYUUJQOGKFLR-SFHVURJKSA-N 0 3 330.476 1.539 20 10 EDCDHN C[C@@H]1CC[C@@](CO)(N(C)CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000299345811 524623622 /nfs/dbraw/zinc/62/36/22/524623622.db2.gz PARRXLCKAKZIQR-DNVCBOLYSA-N 0 3 333.476 1.852 20 10 EDCDHN C[C@@]1(c2ccc(C[NH2+]Cc3ccccc3[O-])cc2)NC(=O)NC1=O ZINC000726189584 578336107 /nfs/dbraw/zinc/33/61/07/578336107.db2.gz DKQBBALJRBQAOZ-SFHVURJKSA-N 0 3 325.368 1.737 20 10 EDCDHN COc1ccc(N2CCC(NC(=S)NCCN(C)C)CC2)cc1 ZINC000726493386 578346444 /nfs/dbraw/zinc/34/64/44/578346444.db2.gz LDJLZQWUECBTPQ-UHFFFAOYSA-N 0 3 336.505 1.690 20 10 EDCDHN CCn1cnnc1CCNCc1ccc(N2CCOCC2)c(F)c1 ZINC000735926345 578941595 /nfs/dbraw/zinc/94/15/95/578941595.db2.gz MRZYIOHPAUQTRY-UHFFFAOYSA-N 0 3 333.411 1.606 20 10 EDCDHN COc1cc(C)cc(CN2CCC[C@H](CNS(C)(=O)=O)C2)c1O ZINC000754728199 579910275 /nfs/dbraw/zinc/91/02/75/579910275.db2.gz XGWJUYVWABQRDH-CYBMUJFWSA-N 0 3 342.461 1.470 20 10 EDCDHN CC(C)NS(=O)(=O)CC[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756684550 579954850 /nfs/dbraw/zinc/95/48/50/579954850.db2.gz YNFNECGVUORIGB-ZYHUDNBSSA-N 0 3 330.425 1.997 20 10 EDCDHN Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@]1(O)CCN(C)C1 ZINC000762721770 580081477 /nfs/dbraw/zinc/08/14/77/580081477.db2.gz NNZNBGGDPDXPOI-QGZVFWFLSA-N 0 3 333.457 1.952 20 10 EDCDHN O=C1CCCN1C1CC[NH+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000768452849 580213484 /nfs/dbraw/zinc/21/34/84/580213484.db2.gz UCFYRPWVPCTPBP-INIZCTEOSA-N 0 3 332.400 1.405 20 10 EDCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H]1CN1CCOCC1)[C@H](O)CO2 ZINC000768466187 580214255 /nfs/dbraw/zinc/21/42/55/580214255.db2.gz NQZSVUUVRMBUPG-RHSMWYFYSA-N 0 3 334.416 1.115 20 10 EDCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H]1CN1CCOCC1)[C@H](O)CO2 ZINC000768466187 580214256 /nfs/dbraw/zinc/21/42/56/580214256.db2.gz NQZSVUUVRMBUPG-RHSMWYFYSA-N 0 3 334.416 1.115 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1C[C@@H](C)N(C)C[C@H]1C)cc2=O ZINC000768772985 580220007 /nfs/dbraw/zinc/22/00/07/580220007.db2.gz ONSNZGKRBRJWTD-VXGBXAGGSA-N 0 3 347.419 1.136 20 10 EDCDHN CN(Cc1ccc(N2CCN(C)CC2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000775639474 580395869 /nfs/dbraw/zinc/39/58/69/580395869.db2.gz WUAPLMFITAJEEY-KRWDZBQOSA-N 0 3 337.489 1.057 20 10 EDCDHN COC(=O)N1CCN(Cc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC000775659143 580396564 /nfs/dbraw/zinc/39/65/64/580396564.db2.gz YFMSAXPVNUOVSJ-UHFFFAOYSA-N 0 3 332.448 1.322 20 10 EDCDHN [O-]c1cc2c(cc1C[N@@H+]1CCOCC3(CCOCC3)C1)[C@H](O)CO2 ZINC000784042329 580612542 /nfs/dbraw/zinc/61/25/42/580612542.db2.gz BHQAZHQHAQZIBI-MRXNPFEDSA-N 0 3 335.400 1.447 20 10 EDCDHN [O-]c1cc2c(cc1C[N@H+]1CCOCC3(CCOCC3)C1)[C@H](O)CO2 ZINC000784042329 580612543 /nfs/dbraw/zinc/61/25/43/580612543.db2.gz BHQAZHQHAQZIBI-MRXNPFEDSA-N 0 3 335.400 1.447 20 10 EDCDHN CNC(=O)[C@]1(C)CCN(Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000797605036 580978191 /nfs/dbraw/zinc/97/81/91/580978191.db2.gz LIXUIGAMGFZQTH-GOSISDBHSA-N 0 3 335.423 1.620 20 10 EDCDHN CO[C@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)[C@H]1CCOC1 ZINC000891245209 591014757 /nfs/dbraw/zinc/01/47/57/591014757.db2.gz ADJQZXJBXBZGAC-JQHSSLGASA-N 0 3 349.475 1.523 20 10 EDCDHN COC[C@@]1(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CCOC1 ZINC000891247290 591016221 /nfs/dbraw/zinc/01/62/21/591016221.db2.gz HZIXQMHGZVNYPO-HKUYNNGSSA-N 0 3 349.475 1.525 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)c2ccc(C(N)=O)[nH]2)N(C)C)cc1 ZINC000891248399 591017146 /nfs/dbraw/zinc/01/71/46/591017146.db2.gz MFNNPCLMCACZAT-INIZCTEOSA-N 0 3 343.431 1.212 20 10 EDCDHN Cc1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)n(C)n1 ZINC000891254787 591021429 /nfs/dbraw/zinc/02/14/29/591021429.db2.gz JNCKSJXOUVUDOU-KRWDZBQOSA-N 0 3 329.448 1.827 20 10 EDCDHN COc1ccc(CN[C@@H]2CCO[C@@H]2c2nc(C)no2)c(O)c1OC ZINC000895667602 591247389 /nfs/dbraw/zinc/24/73/89/591247389.db2.gz RGCSGOUDQMYERV-RISCZKNCSA-N 0 3 335.360 1.721 20 10 EDCDHN COc1cc(C)cc(CN[C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)c1O ZINC000894313357 591275503 /nfs/dbraw/zinc/27/55/03/591275503.db2.gz SOMMMVGECMRQSL-IUODEOHRSA-N 0 3 344.415 1.726 20 10 EDCDHN COc1cc(C)cc(CN[C@@H]2CCN(C3CCOCC3)C2=O)c1O ZINC000894325380 591279300 /nfs/dbraw/zinc/27/93/00/591279300.db2.gz SEPBYHOJSMXOPX-OAHLLOKOSA-N 0 3 334.416 1.579 20 10 EDCDHN COC(=O)N1CCC(C[NH2+]Cc2ccc(OC)c(OC)c2[O-])CC1 ZINC000894428179 591309644 /nfs/dbraw/zinc/30/96/44/591309644.db2.gz RKDWDUSARJNWDG-UHFFFAOYSA-N 0 3 338.404 1.977 20 10 EDCDHN COc1cc(C)cc(CNCCS(=O)(=O)CC(F)(F)F)c1O ZINC000895250516 591680835 /nfs/dbraw/zinc/68/08/35/591680835.db2.gz DUMMVMZKWDZBGI-UHFFFAOYSA-N 0 3 341.351 1.776 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)N2CC[C@@](C)(O)C2)N(C)C)cc1 ZINC000899101381 591681941 /nfs/dbraw/zinc/68/19/41/591681941.db2.gz HLFKKDYHPCWQLN-FUHWJXTLSA-N 0 3 334.464 1.522 20 10 EDCDHN CCC[C@H](O)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899102197 591682608 /nfs/dbraw/zinc/68/26/08/591682608.db2.gz NWLOISIHPUWJJS-IRXDYDNUSA-N 0 3 336.480 1.816 20 10 EDCDHN C[C@H](O)[C@@H]1CCN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000899102137 591682626 /nfs/dbraw/zinc/68/26/26/591682626.db2.gz KHJGUXRAMJUWTI-LESCRADOSA-N 0 3 348.491 1.768 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)NC2(CO)CCC2)N(C)C)cc1 ZINC000899103633 591683261 /nfs/dbraw/zinc/68/32/61/591683261.db2.gz NQVDCYIYTCGHPZ-MRXNPFEDSA-N 0 3 334.464 1.570 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)N2CCC[C@@]2(C)CO)N(C)C)cc1 ZINC000899103562 591683689 /nfs/dbraw/zinc/68/36/89/591683689.db2.gz MWUVTNIOMXITKJ-HKUYNNGSSA-N 0 3 348.491 1.912 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)N2CC[C@@H](O)C2(C)C)N(C)C)cc1 ZINC000899103943 591684461 /nfs/dbraw/zinc/68/44/61/591684461.db2.gz PRODCDRWBOSURM-DLBZAZTESA-N 0 3 348.491 1.910 20 10 EDCDHN CN1CCN(c2ccc(CNC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)cc2)CC1 ZINC000899211753 591733558 /nfs/dbraw/zinc/73/35/58/591733558.db2.gz NKHHJMQEHSXEJB-IAGOWNOFSA-N 0 3 339.443 1.581 20 10 EDCDHN CN1CCN(c2ccc(CNC(=O)[C@@H]3C[C@H]3c3cnc[nH]3)cc2)CC1 ZINC000899211753 591733560 /nfs/dbraw/zinc/73/35/60/591733560.db2.gz NKHHJMQEHSXEJB-IAGOWNOFSA-N 0 3 339.443 1.581 20 10 EDCDHN CN1CCN(CCCNC(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000899991478 591860709 /nfs/dbraw/zinc/86/07/09/591860709.db2.gz OIBCVMWJGZGZAC-UHFFFAOYSA-N 0 3 349.456 1.680 20 10 EDCDHN COCC[C@@H]1CNCCN1c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] ZINC000900441538 592019862 /nfs/dbraw/zinc/01/98/62/592019862.db2.gz VEOUABPFUXCGEN-KXQLTZBTSA-N 0 3 349.387 1.596 20 10 EDCDHN COC[C@H]1CNCCN1c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC000900450294 592021158 /nfs/dbraw/zinc/02/11/58/592021158.db2.gz LTRRCOIWWQVVIN-DIECRNLCSA-N 0 3 335.360 1.206 20 10 EDCDHN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1CNCCN1C ZINC000911632409 592970140 /nfs/dbraw/zinc/97/01/40/592970140.db2.gz HBJGUINTRPIPPV-GOSISDBHSA-N 0 3 330.476 1.539 20 10 EDCDHN C[C@H](NC(=O)C(=O)N(C)CCN1CCCC1)c1ccc(N(C)C)cc1 ZINC000807675530 593189887 /nfs/dbraw/zinc/18/98/87/593189887.db2.gz AVJCRXOXVAOYOV-HNNXBMFYSA-N 0 3 346.475 1.484 20 10 EDCDHN CCCN(CC)CCNC(=O)C(=O)NCc1ccc(N(C)C)cc1C ZINC000807776584 593198979 /nfs/dbraw/zinc/19/89/79/593198979.db2.gz DUBQAPRAFSLKHG-UHFFFAOYSA-N 0 3 348.491 1.525 20 10 EDCDHN COc1cc(Cl)cc(C[NH2+]C2CC(NS(C)(=O)=O)C2)c1[O-] ZINC000802654969 593268562 /nfs/dbraw/zinc/26/85/62/593268562.db2.gz QGLWPMLVVLMWJY-UHFFFAOYSA-N 0 3 334.825 1.224 20 10 EDCDHN CCOC(=O)[C@H]1NCC[C@H]1NC1CCN(c2ccc(OC)cc2)CC1 ZINC000817903240 593647251 /nfs/dbraw/zinc/64/72/51/593647251.db2.gz LCBMEYBFYNPMTO-MSOLQXFVSA-N 0 3 347.459 1.547 20 10 EDCDHN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NC[C@]1(O)CCN(C)C1 ZINC000840481634 593830982 /nfs/dbraw/zinc/83/09/82/593830982.db2.gz KVASDRVZVADVIF-HNAYVOBHSA-N 0 3 348.491 1.358 20 10 EDCDHN COc1ccc(N2CCN(C(=O)CN[C@@H]3COCC3(C)C)CC2)cc1 ZINC000832165522 594731558 /nfs/dbraw/zinc/73/15/58/594731558.db2.gz ZGILFMFCSDCTIA-QGZVFWFLSA-N 0 3 347.459 1.358 20 10 EDCDHN Cc1nn2cccnc2c1C(=O)NC[C@H](N)c1ccc(N(C)C)cc1 ZINC000832282462 594740049 /nfs/dbraw/zinc/74/00/49/594740049.db2.gz ZQJJBYHUNJPCNQ-HNNXBMFYSA-N 0 3 338.415 1.534 20 10 EDCDHN Cc1cc(N(C)C)ccc1CN1CCC(CNS(C)(=O)=O)CC1 ZINC000840948087 594831346 /nfs/dbraw/zinc/83/13/46/594831346.db2.gz MEEGMBZKGHHKDV-UHFFFAOYSA-N 0 3 339.505 1.822 20 10 EDCDHN C[C@H](CN)NC(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000842150105 595023669 /nfs/dbraw/zinc/02/36/69/595023669.db2.gz MTWJTHKLQIILCW-CQSZACIVSA-N 0 3 346.475 1.535 20 10 EDCDHN C[C@@H](CN)NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000842259733 595057844 /nfs/dbraw/zinc/05/78/44/595057844.db2.gz PHEJYIOULNXFAC-AWEZNQCLSA-N 0 3 332.448 1.099 20 10 EDCDHN COc1ccc(N2CCN(C[C@@H](O)CN3CC[C@@H]3C3CC3)CC2)cc1 ZINC000834383516 595107222 /nfs/dbraw/zinc/10/72/22/595107222.db2.gz UJXIZSOZTHGFFL-UYAOXDASSA-N 0 3 345.487 1.662 20 10 EDCDHN COCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cccc(OC)c1[O-])CC2 ZINC000846153814 595159298 /nfs/dbraw/zinc/15/92/98/595159298.db2.gz KYPZBIFFMGCKOM-NWDGAFQWSA-N 0 3 332.404 1.804 20 10 EDCDHN CC[C@H](C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1)N(C)C ZINC000837706990 595173671 /nfs/dbraw/zinc/17/36/71/595173671.db2.gz ITNNQCXOJZWJOK-OAHLLOKOSA-N 0 3 341.402 1.758 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNC(=O)Cn2cnc3ccccc32)cc1 ZINC000844162463 595287872 /nfs/dbraw/zinc/28/78/72/595287872.db2.gz DAAMVRXSEZFCPD-MRXNPFEDSA-N 0 3 337.427 1.919 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)[C@H]2CCc3nccn3C2)cc1 ZINC000848393301 595372693 /nfs/dbraw/zinc/37/26/93/595372693.db2.gz YAJXVXBESSYTJL-HOCLYGCPSA-N 0 3 327.432 1.328 20 10 EDCDHN CCc1cccc(C[NH2+]C[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)c1[O-] ZINC000848898392 595464901 /nfs/dbraw/zinc/46/49/01/595464901.db2.gz UUPZUYSMHRIAOA-RDTXWAMCSA-N 0 3 331.416 1.765 20 10 EDCDHN Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)NCc2ccc(O)c(O)c2)cn1 ZINC000849562764 595570121 /nfs/dbraw/zinc/57/01/21/595570121.db2.gz HAGGHNOAXPGMOO-LSDHHAIUSA-N 0 3 344.415 1.183 20 10 EDCDHN NC[C@@H]1CC(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)=NO1 ZINC000852882502 595596644 /nfs/dbraw/zinc/59/66/44/595596644.db2.gz JBEUDFKPJZBIRA-KGLIPLIRSA-N 0 3 333.388 1.003 20 10 EDCDHN CCN(CCCNCc1cc(F)c(N(C)C)cc1F)S(C)(=O)=O ZINC000858104534 595700497 /nfs/dbraw/zinc/70/04/97/595700497.db2.gz ODBRMGQBYGMHOZ-UHFFFAOYSA-N 0 3 349.447 1.792 20 10 EDCDHN NC(=O)[C@H]1CCC[N@H+](CCCNCc2c([O-])cccc2Cl)C1 ZINC000113336900 595712637 /nfs/dbraw/zinc/71/26/37/595712637.db2.gz UYLANPPFYXAYCY-LBPRGKRZSA-N 0 3 325.840 1.723 20 10 EDCDHN NC(=O)[C@H]1CCC[N@@H+](CCCNCc2c([O-])cccc2Cl)C1 ZINC000113336900 595712638 /nfs/dbraw/zinc/71/26/38/595712638.db2.gz UYLANPPFYXAYCY-LBPRGKRZSA-N 0 3 325.840 1.723 20 10 EDCDHN NC(=O)[C@H]1CCCN(CCC[NH2+]Cc2c([O-])cccc2Cl)C1 ZINC000113336900 595712641 /nfs/dbraw/zinc/71/26/41/595712641.db2.gz UYLANPPFYXAYCY-LBPRGKRZSA-N 0 3 325.840 1.723 20 10 EDCDHN CN(C)c1cc(F)c(CNC[C@@H]2CCCN2CCCO)cc1F ZINC000858170461 595719502 /nfs/dbraw/zinc/71/95/02/595719502.db2.gz KUNRVVMFZWPVTK-AWEZNQCLSA-N 0 3 327.419 1.967 20 10 EDCDHN Cc1ccc(O)c(CNC(=O)NCCN2CCN(C)C(C)(C)C2)c1 ZINC000858426149 595791500 /nfs/dbraw/zinc/79/15/00/595791500.db2.gz OHVYXZWFMVLOBN-UHFFFAOYSA-N 0 3 334.464 1.526 20 10 EDCDHN CO[C@H](CNCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCOC1 ZINC000850342908 595813412 /nfs/dbraw/zinc/81/34/12/595813412.db2.gz OKPKVEFUAMXDOB-CRAIPNDOSA-N 0 3 338.423 1.803 20 10 EDCDHN CCOC(=O)C[C@H](O)CN[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000859230501 596011980 /nfs/dbraw/zinc/01/19/80/596011980.db2.gz ZRYRISIBGLCUEX-YOEHRIQHSA-N 0 3 336.432 1.488 20 10 EDCDHN CCN(C)c1ccc([C@@H](C)NC[C@@]23COCCN2C(=O)COC3)cc1 ZINC000866556016 596250275 /nfs/dbraw/zinc/25/02/75/596250275.db2.gz PONBWEDVXJEUMP-BEFAXECRSA-N 0 3 347.459 1.421 20 10 EDCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000862536603 596342225 /nfs/dbraw/zinc/34/22/25/596342225.db2.gz QCCVDBBWNDXJFB-QGZVFWFLSA-N 0 3 331.391 1.917 20 10 EDCDHN O=C(NC1CCN([C@@H]2CCOC2)CC1)N1Cc2cccc(O)c2C1 ZINC000875747427 596971596 /nfs/dbraw/zinc/97/15/96/596971596.db2.gz JOFAAQSTMICEPH-OAHLLOKOSA-N 0 3 331.416 1.671 20 10 EDCDHN Cc1ccc(C[N@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)c([O-])c1 ZINC000877514115 597529141 /nfs/dbraw/zinc/52/91/41/597529141.db2.gz GMVGJQNOYVKUKJ-AWEZNQCLSA-N 0 3 326.462 1.804 20 10 EDCDHN Cc1ccc(C[N@@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)c([O-])c1 ZINC000877514115 597529143 /nfs/dbraw/zinc/52/91/43/597529143.db2.gz GMVGJQNOYVKUKJ-AWEZNQCLSA-N 0 3 326.462 1.804 20 10 EDCDHN COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000877679862 597547163 /nfs/dbraw/zinc/54/71/63/597547163.db2.gz QYPHUQZFJSWWAJ-UWVGGRQHSA-N 0 3 328.796 1.510 20 10 EDCDHN CCOC(=O)N1CCN(C(=O)[C@@H](C)[NH2+][C@H](C)c2ccccc2[O-])CC1 ZINC000879648418 597674163 /nfs/dbraw/zinc/67/41/63/597674163.db2.gz ODBXAISTVVJDKJ-ZIAGYGMSSA-N 0 3 349.431 1.732 20 10 EDCDHN CCOC(=O)C1CCN(C(=O)C[NH2+][C@@H](C)c2ccccc2[O-])CC1 ZINC000879653895 597675743 /nfs/dbraw/zinc/67/57/43/597675743.db2.gz XHVNRKTVFZQECN-ZDUSSCGKSA-N 0 3 334.416 1.845 20 10 EDCDHN CC(C)n1ncnc1CNCc1ccc(N2CCN(C)CC2)cc1 ZINC000883283552 597699771 /nfs/dbraw/zinc/69/97/71/597699771.db2.gz JMIAOOSXQFTEJL-UHFFFAOYSA-N 0 3 328.464 1.901 20 10 EDCDHN COc1cccc([O-])c1C[NH2+][C@@H]1CCCN(CCN2CCOCC2)C1 ZINC000883371824 597726377 /nfs/dbraw/zinc/72/63/77/597726377.db2.gz BBUADZUHQZJXBR-MRXNPFEDSA-N 0 3 349.475 1.287 20 10 EDCDHN CO[C@@H](CN)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC000884305357 598060063 /nfs/dbraw/zinc/06/00/63/598060063.db2.gz UOPWYLNXABPDJF-SJORKVTESA-N 0 3 335.448 1.234 20 10 EDCDHN COCC[C@H](N)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC000884305559 598060282 /nfs/dbraw/zinc/06/02/82/598060282.db2.gz ZOWRWSXCPFHNNF-ROUUACIJSA-N 0 3 349.475 1.624 20 10 EDCDHN CCN(CCO)CCNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000193069306 695579396 /nfs/dbraw/zinc/57/93/96/695579396.db2.gz VDHRGJYGTIKFQA-UHFFFAOYSA-N 0 3 334.464 1.400 20 10 EDCDHN COc1cccc(CN2CCCN(CC(=O)NC(C)C)CC2)c1O ZINC000372392276 250219404 /nfs/dbraw/zinc/21/94/04/250219404.db2.gz UPRZSQGOWXHVEB-UHFFFAOYSA-N 0 3 335.448 1.433 20 10 EDCDHN CN(C)c1ccc(CN(C)C(=O)CN2CCCC[C@@H](CO)C2)cc1 ZINC000374039001 250250315 /nfs/dbraw/zinc/25/03/15/250250315.db2.gz PEYRGOGAOYAAAM-QGZVFWFLSA-N 0 3 333.476 1.805 20 10 EDCDHN COc1cc([O-])c(C[N@@H+]2CCCC[C@H]2[C@H]2CNC(=O)C2)cc1OC ZINC000373218812 295004284 /nfs/dbraw/zinc/00/42/84/295004284.db2.gz VDRKTGHWDIKESV-OCCSQVGLSA-N 0 3 334.416 1.900 20 10 EDCDHN COc1cc([O-])c(C[N@H+]2CCCC[C@H]2[C@H]2CNC(=O)C2)cc1OC ZINC000373218812 295004286 /nfs/dbraw/zinc/00/42/86/295004286.db2.gz VDRKTGHWDIKESV-OCCSQVGLSA-N 0 3 334.416 1.900 20 10 EDCDHN COc1ccc(N2CCC(NCC(=O)NCC(F)(F)F)CC2)cc1 ZINC000160567136 441897785 /nfs/dbraw/zinc/89/77/85/441897785.db2.gz NLHHOZYCXATKEF-UHFFFAOYSA-N 0 3 345.365 1.932 20 10 EDCDHN COc1ccc(N2CCC(N[C@@H](C)CS(C)(=O)=O)CC2)cc1 ZINC000154144027 442323591 /nfs/dbraw/zinc/32/35/91/442323591.db2.gz RHDRPWPRPSRMOM-ZDUSSCGKSA-N 0 3 326.462 1.687 20 10 EDCDHN COc1ccc(O)c([C@@H](C)N[C@@H]2CCN(c3cnn(C)c3)C2=O)c1 ZINC000182391055 442762716 /nfs/dbraw/zinc/76/27/16/442762716.db2.gz VFRCJTOCMQFQBF-IAQYHMDHSA-N 0 3 330.388 1.590 20 10 EDCDHN COc1ccc(N2CCN(C(=O)CN[C@@H](CO)C(C)(C)C)CC2)cc1 ZINC000265442729 442774806 /nfs/dbraw/zinc/77/48/06/442774806.db2.gz QMXPXKDGFCVAFI-KRWDZBQOSA-N 0 3 349.475 1.340 20 10 EDCDHN C=Cn1cc(CNCCN2CCN(c3ccc(OC)cc3)CC2)cn1 ZINC000278914090 443474444 /nfs/dbraw/zinc/47/44/44/443474444.db2.gz SWDKXCMVTYJMFU-UHFFFAOYSA-N 0 3 341.459 1.904 20 10 EDCDHN CCN1CCC[C@H]1CN(C)C(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000283443119 443635224 /nfs/dbraw/zinc/63/52/24/443635224.db2.gz JZBYWKMZSUMNFD-KRWDZBQOSA-N 0 3 346.475 1.312 20 10 EDCDHN Oc1cc2c(cc1CNCc1cccc(N3CCOCC3)n1)OCO2 ZINC000274778614 443611984 /nfs/dbraw/zinc/61/19/84/443611984.db2.gz KAPMBHQRHWDALY-UHFFFAOYSA-N 0 3 343.383 1.642 20 10 EDCDHN CC[C@H](C)[C@H](N)C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000272423554 443620849 /nfs/dbraw/zinc/62/08/49/443620849.db2.gz HZQVSSNETCITMO-YJBOKZPZSA-N 0 3 348.491 1.307 20 10 EDCDHN C[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000283535147 443656121 /nfs/dbraw/zinc/65/61/21/443656121.db2.gz POHKPWQASCSZKP-YOEHRIQHSA-N 0 3 344.459 1.064 20 10 EDCDHN CN(C)C(=O)COC[C@H]1CN(Cc2ccccc2O)CC(C)(C)O1 ZINC000284459969 443775956 /nfs/dbraw/zinc/77/59/56/443775956.db2.gz DTRAPGYJKCESIH-OAHLLOKOSA-N 0 3 336.432 1.476 20 10 EDCDHN COc1cc(Cl)cc(CN2CC[C@@H]([N@H+](C)CCO)[C@H]2C)c1[O-] ZINC000292771967 443839729 /nfs/dbraw/zinc/83/97/29/443839729.db2.gz KNTHKFMDWNPRMR-BXUZGUMPSA-N 0 3 328.840 1.941 20 10 EDCDHN COc1cc(Cl)cc(CN2CC[C@@H]([N@@H+](C)CCO)[C@H]2C)c1[O-] ZINC000292771967 443839731 /nfs/dbraw/zinc/83/97/31/443839731.db2.gz KNTHKFMDWNPRMR-BXUZGUMPSA-N 0 3 328.840 1.941 20 10 EDCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CCn3ncc(C(N)=O)c3C2)c1 ZINC000281205979 443847578 /nfs/dbraw/zinc/84/75/78/443847578.db2.gz SIGQFIVBKGQADB-STQMWFEESA-N 0 3 328.416 1.909 20 10 EDCDHN CCOc1cccc(CN2CCC(NS(=O)(=O)CC)CC2)c1O ZINC000289445723 444146346 /nfs/dbraw/zinc/14/63/46/444146346.db2.gz MMQOGWUDKVDBNB-UHFFFAOYSA-N 0 3 342.461 1.695 20 10 EDCDHN Cc1cccc(C[NH+]2CCC(C(=O)N3CCN(C)CC3)CC2)c1[O-] ZINC000289956067 444224304 /nfs/dbraw/zinc/22/43/04/444224304.db2.gz YCXPQPWZKRGUIZ-UHFFFAOYSA-N 0 3 331.460 1.687 20 10 EDCDHN COc1ccc(O)c(CN2CC[C@](O)(c3nc(C4CC4)no3)C2)c1 ZINC000290367935 444272796 /nfs/dbraw/zinc/27/27/96/444272796.db2.gz HFRNONGOQOXYKM-QGZVFWFLSA-N 0 3 331.372 1.755 20 10 EDCDHN C[C@H](N)C(=O)NC[C@@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 ZINC000366320441 446148371 /nfs/dbraw/zinc/14/83/71/446148371.db2.gz DOSPJUSJOZLLLD-QWRGUYRKSA-N 0 3 331.338 1.875 20 10 EDCDHN CN(C)CCN1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000376494236 446533994 /nfs/dbraw/zinc/53/39/94/446533994.db2.gz ZPLBKRBEFDAPIG-FNORWQNLSA-N 0 3 333.432 1.207 20 10 EDCDHN CC(=O)NCC(=O)N1CCCN(Cc2cc(C)c(C)cc2O)CC1 ZINC000529663438 448918753 /nfs/dbraw/zinc/91/87/53/448918753.db2.gz AIHIWUSWWMTMMT-UHFFFAOYSA-N 0 3 333.432 1.179 20 10 EDCDHN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CNCCC1(F)F ZINC000649347667 452030787 /nfs/dbraw/zinc/03/07/87/452030787.db2.gz OBJIHFXPEAAIKN-GFCCVEGCSA-N 0 3 325.359 1.723 20 10 EDCDHN CCN1CCN(c2ccc(CNC(=O)[C@H]3CCCN3C)cc2F)CC1 ZINC000106922401 529153179 /nfs/dbraw/zinc/15/31/79/529153179.db2.gz RIRHPDQEMHIEEI-GOSISDBHSA-N 0 3 348.466 1.678 20 10 EDCDHN C[C@H]1CCN(CC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C1 ZINC000725803701 578282732 /nfs/dbraw/zinc/28/27/32/578282732.db2.gz OBHCUNLTQLLMOU-INIZCTEOSA-N 0 3 331.460 1.823 20 10 EDCDHN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000734527064 578821316 /nfs/dbraw/zinc/82/13/16/578821316.db2.gz LSVXBAMLDZIISN-QZTJIDSGSA-N 0 3 346.475 1.723 20 10 EDCDHN COC[C@@H](NCC(=O)N1CCN(c2ccc(OC)cc2)CC1)C(C)C ZINC000754385717 579902447 /nfs/dbraw/zinc/90/24/47/579902447.db2.gz RULVXDZFEJGFBU-GOSISDBHSA-N 0 3 349.475 1.604 20 10 EDCDHN COC(=O)C[C@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)C1CC1 ZINC000754516620 579905134 /nfs/dbraw/zinc/90/51/34/579905134.db2.gz MVTBFGMSKOTQPR-KRWDZBQOSA-N 0 3 347.459 1.642 20 10 EDCDHN CN1CCN(CC2(C)CCN(C(=O)C3=CC(=O)CS3)CC2)CC1 ZINC000758707385 579989860 /nfs/dbraw/zinc/98/98/60/579989860.db2.gz MHWWAEANLWUWRR-UHFFFAOYSA-N 0 3 337.489 1.943 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1C[C@H](C)N(C)C[C@@H]1C)cc2=O ZINC000768772982 580219958 /nfs/dbraw/zinc/21/99/58/580219958.db2.gz ONSNZGKRBRJWTD-RYUDHWBXSA-N 0 3 347.419 1.136 20 10 EDCDHN CCN(C)c1ccc(CN2CCN(C(=O)CN3CCCC3)CC2)cc1 ZINC000773747860 580345296 /nfs/dbraw/zinc/34/52/96/580345296.db2.gz KGVKUEIARAEZOW-UHFFFAOYSA-N 0 3 344.503 1.883 20 10 EDCDHN COC1(CO)CCN(Cc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC000775204065 580385609 /nfs/dbraw/zinc/38/56/09/580385609.db2.gz LTLZVIGGDYSSMS-UHFFFAOYSA-N 0 3 333.476 1.412 20 10 EDCDHN C[C@@H](NCC(=O)Nc1ccncc1)c1ccc(N2CCOCC2)cc1 ZINC000775258849 580387015 /nfs/dbraw/zinc/38/70/15/580387015.db2.gz KXRDTMWROMKHQI-OAHLLOKOSA-N 0 3 340.427 1.629 20 10 EDCDHN C[C@@H](NC(=O)N(CCN(C)C)CCN(C)C)c1ccc(N(C)C)cc1 ZINC000776246161 580412667 /nfs/dbraw/zinc/41/26/67/580412667.db2.gz PDYJBPBZAHDPAK-MRXNPFEDSA-N 0 3 349.523 1.948 20 10 EDCDHN CN(C)c1ccc(CN(C)C(=O)CN[C@@H](CO)C2CCOCC2)cc1 ZINC000782530849 580577005 /nfs/dbraw/zinc/57/70/05/580577005.db2.gz YRRJQFVDJHJOTH-SFHVURJKSA-N 0 3 349.475 1.088 20 10 EDCDHN CC[C@@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)c1ccc(C)cc1[O-] ZINC000794802558 580906238 /nfs/dbraw/zinc/90/62/38/580906238.db2.gz OHWZSAARIOWLRL-CQSZACIVSA-N 0 3 327.446 1.681 20 10 EDCDHN CN(C)S(=O)(=O)[C@@H]1CCCN(Cc2cc3c(cc2O)CCC3)C1 ZINC000795660051 580933232 /nfs/dbraw/zinc/93/32/32/580933232.db2.gz YBZKUIOOQMZLJQ-MRXNPFEDSA-N 0 3 338.473 1.737 20 10 EDCDHN CN(C)CCNC(=O)Cn1cc(NCc2cc(F)ccc2O)cn1 ZINC000893549986 590954115 /nfs/dbraw/zinc/95/41/15/590954115.db2.gz GUYBQZWLPDHYKU-UHFFFAOYSA-N 0 3 335.383 1.018 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)CCCn2cncn2)N(C)C)cc1 ZINC000891245794 591014980 /nfs/dbraw/zinc/01/49/80/591014980.db2.gz JIYNQKPVUOFLNK-QGZVFWFLSA-N 0 3 344.463 1.543 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)[C@H]2C[C@@]23CCOC3)N(C)C)cc1 ZINC000891246785 591016004 /nfs/dbraw/zinc/01/60/04/591016004.db2.gz DLIHGSNEOIXDLF-ZIFCJYIRSA-N 0 3 331.460 1.898 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)CCc2c[nH]cn2)N(C)C)cc1 ZINC000891248357 591017421 /nfs/dbraw/zinc/01/74/21/591017421.db2.gz LBJYZGZNMXPVQV-QGZVFWFLSA-N 0 3 329.448 1.827 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)CCc2cnc[nH]2)N(C)C)cc1 ZINC000891248357 591017425 /nfs/dbraw/zinc/01/74/25/591017425.db2.gz LBJYZGZNMXPVQV-QGZVFWFLSA-N 0 3 329.448 1.827 20 10 EDCDHN CC[C@@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C(=O)OC ZINC000891250045 591018813 /nfs/dbraw/zinc/01/88/13/591018813.db2.gz YLUSLQNFJPOFPS-HOTGVXAUSA-N 0 3 335.448 1.671 20 10 EDCDHN COC(=O)C[C@@H](C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891252727 591020588 /nfs/dbraw/zinc/02/05/88/591020588.db2.gz NELWXJLQTVBOOP-CJNGLKHVSA-N 0 3 335.448 1.671 20 10 EDCDHN CCN1CCN([C@H](C)C[NH2+]Cc2ccc(OC)c(OC)c2[O-])CC1 ZINC000892575382 591077901 /nfs/dbraw/zinc/07/79/01/591077901.db2.gz VCNMZCNXPIJQDJ-CQSZACIVSA-N 0 3 337.464 1.525 20 10 EDCDHN COc1ccc(CN[C@H]2CCN(c3cnn(C)c3)C2=O)c(O)c1OC ZINC000892980574 591245857 /nfs/dbraw/zinc/24/58/57/591245857.db2.gz FMLIYUXCXXFXRB-ZDUSSCGKSA-N 0 3 346.387 1.038 20 10 EDCDHN O=C(NCCCSc1nccs1)N[C@H]1CNCCC1(F)F ZINC000841857190 591290073 /nfs/dbraw/zinc/29/00/73/591290073.db2.gz NRWOJBXNFMJSRX-VIFPVBQESA-N 0 3 336.433 1.922 20 10 EDCDHN C[C@@H]1C[C@H](NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C(=O)O1 ZINC000896382913 591444923 /nfs/dbraw/zinc/44/49/23/591444923.db2.gz RFAAZLONOQNKBP-KCXAZCMYSA-N 0 3 348.447 1.359 20 10 EDCDHN CN(C)c1ccc(CNCC2(O)CN(C(=O)OC(C)(C)C)C2)cc1 ZINC000895211935 591658848 /nfs/dbraw/zinc/65/88/48/591658848.db2.gz QLEPVZPBZBRWQW-UHFFFAOYSA-N 0 3 335.448 1.824 20 10 EDCDHN CC(C)[C@@H](CO)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899101825 591682647 /nfs/dbraw/zinc/68/26/47/591682647.db2.gz MPBVDJXLNHLXRM-IAGOWNOFSA-N 0 3 336.480 1.671 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)NCC2(CO)CC2)N(C)C)cc1 ZINC000899102599 591682690 /nfs/dbraw/zinc/68/26/90/591682690.db2.gz REHNUCFGJMNWJT-MRXNPFEDSA-N 0 3 334.464 1.427 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)N2CC[C@H](O)C2(C)C)N(C)C)cc1 ZINC000899103949 591684354 /nfs/dbraw/zinc/68/43/54/591684354.db2.gz PRODCDRWBOSURM-SJORKVTESA-N 0 3 348.491 1.910 20 10 EDCDHN COC(=O)c1c(CN[C@H]2C[C@H](C(N)=O)C2)c2cc(F)ccc2n1C ZINC000895393778 591742057 /nfs/dbraw/zinc/74/20/57/591742057.db2.gz NWEFHQMPBNGZLY-HOMQSWHASA-N 0 3 333.363 1.458 20 10 EDCDHN CCOC(=O)N1C[C@@H](CO)[C@@H]([NH2+]Cc2cccc(OCC)c2[O-])C1 ZINC000898360013 591871682 /nfs/dbraw/zinc/87/16/82/591871682.db2.gz WTLGNWVCWZHJFM-KBPBESRZSA-N 0 3 338.404 1.330 20 10 EDCDHN CCOC(=O)N1C[C@H]([NH2+]Cc2cccc(OCC)c2[O-])[C@@H](CO)C1 ZINC000898360014 591871704 /nfs/dbraw/zinc/87/17/04/591871704.db2.gz WTLGNWVCWZHJFM-KGLIPLIRSA-N 0 3 338.404 1.330 20 10 EDCDHN CN(C)c1ccc([C@H](CN2C(=O)[C@H]3CSCN3C2=O)N(C)C)cc1 ZINC000900185332 591932491 /nfs/dbraw/zinc/93/24/91/591932491.db2.gz KERBFHYXPUFQEJ-LSDHHAIUSA-N 0 3 348.472 1.692 20 10 EDCDHN CN(C)c1ccc(Cn2cc(CNC3CCN(C)CC3)nn2)cc1 ZINC000900535189 592049761 /nfs/dbraw/zinc/04/97/61/592049761.db2.gz PGISDKJXNVDIHU-UHFFFAOYSA-N 0 3 328.464 1.576 20 10 EDCDHN C/C=C/[C@H](O)C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 ZINC000901288642 592326573 /nfs/dbraw/zinc/32/65/73/592326573.db2.gz YOKZUAYWHKFVNT-PHXNAMCJSA-N 0 3 343.471 1.772 20 10 EDCDHN COc1ncc(/C=C\C(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)cn1 ZINC000911665225 592973601 /nfs/dbraw/zinc/97/36/01/592973601.db2.gz BIDFGUNNZSOTBT-VCELZJIISA-N 0 3 341.415 1.381 20 10 EDCDHN CC(=O)NCC[C@@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000808216594 593241220 /nfs/dbraw/zinc/24/12/20/593241220.db2.gz BTRCEBOWFZAYGA-SUMWQHHRSA-N 0 3 334.416 1.556 20 10 EDCDHN CC(=O)NCC[C@@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000808216594 593241222 /nfs/dbraw/zinc/24/12/22/593241222.db2.gz BTRCEBOWFZAYGA-SUMWQHHRSA-N 0 3 334.416 1.556 20 10 EDCDHN CO[C@H]1C[C@@H](NCC(=O)NCc2ccc(N(C)C)cc2)C12CCC2 ZINC000839191355 593273108 /nfs/dbraw/zinc/27/31/08/593273108.db2.gz OGHOUDWGOKQYFQ-SJORKVTESA-N 0 3 331.460 1.916 20 10 EDCDHN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839600372 593347636 /nfs/dbraw/zinc/34/76/36/593347636.db2.gz BCUIUQGZPRTFOU-OUEOUJKYSA-N 0 3 343.471 1.724 20 10 EDCDHN COCC[C@@H](COC)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000810173956 593387121 /nfs/dbraw/zinc/38/71/21/593387121.db2.gz LPYPCCWWQYTBSR-HNNXBMFYSA-N 0 3 326.412 1.803 20 10 EDCDHN COc1ccc(N2CCC(NCCS(=O)(=O)N(C)C)CC2)cc1 ZINC000810264562 593390884 /nfs/dbraw/zinc/39/08/84/593390884.db2.gz VWQWCCLWGIFWTO-UHFFFAOYSA-N 0 3 341.477 1.145 20 10 EDCDHN C[C@H](N[C@H]1CCC(=O)N(C)C1=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000818360721 593694517 /nfs/dbraw/zinc/69/45/17/593694517.db2.gz BRWHZSARQNIGLG-WFASDCNBSA-N 0 3 349.406 1.460 20 10 EDCDHN COC(=O)/C=C/c1ccc(N2C[C@@H]3CCN(C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000828988269 594543837 /nfs/dbraw/zinc/54/38/37/594543837.db2.gz VAQJVHLCVIQLNB-KUVDPZLZSA-N 0 3 331.372 1.921 20 10 EDCDHN CC[C@H](C)[C@H](N)C(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1 ZINC000832173197 594732187 /nfs/dbraw/zinc/73/21/87/594732187.db2.gz NSWXFTRNZWYCNW-KSSFIOAISA-N 0 3 346.475 1.345 20 10 EDCDHN CCC(=O)N1CCC[C@@H](C(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)C1 ZINC000832272957 594739546 /nfs/dbraw/zinc/73/95/46/594739546.db2.gz KKIVXSPBTCAIJY-NVXWUHKLSA-N 0 3 346.475 1.517 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNC(=O)CN2CCc3ccccc32)cc1 ZINC000832274071 594739597 /nfs/dbraw/zinc/73/95/97/594739597.db2.gz RPVSUCJHPGFXNY-GOSISDBHSA-N 0 3 338.455 1.931 20 10 EDCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H](Nc3ncccn3)C1)[C@@H](O)CO2 ZINC000842617775 595144093 /nfs/dbraw/zinc/14/40/93/595144093.db2.gz WGUZXSRCLNTAKN-DOMZBBRYSA-N 0 3 328.372 1.294 20 10 EDCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H](Nc3ncccn3)C1)[C@@H](O)CO2 ZINC000842617775 595144095 /nfs/dbraw/zinc/14/40/95/595144095.db2.gz WGUZXSRCLNTAKN-DOMZBBRYSA-N 0 3 328.372 1.294 20 10 EDCDHN CN1CCN(c2ccc(CN3CC(C)(C)O[C@@H]4COC[C@H]43)cc2)CC1 ZINC000846119151 595147711 /nfs/dbraw/zinc/14/77/11/595147711.db2.gz XXPRLCKIPXVYNE-RTBURBONSA-N 0 3 345.487 1.817 20 10 EDCDHN COc1cccc([C@@H](C)[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)c1[O-] ZINC000846156217 595160639 /nfs/dbraw/zinc/16/06/39/595160639.db2.gz CQHDOEFUZKUEBZ-NEPJUHHUSA-N 0 3 328.434 1.333 20 10 EDCDHN COCCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)c1cccc(OC)c1[O-] ZINC000846162123 595162240 /nfs/dbraw/zinc/16/22/40/595162240.db2.gz BCRNUMYXIIGNEG-DUVNUKRYSA-N 0 3 325.405 1.872 20 10 EDCDHN C[C@@H]1CCCN1S(=O)(=O)NC[C@H](N)c1ccc(N(C)C)cc1 ZINC000842785664 595198432 /nfs/dbraw/zinc/19/84/32/595198432.db2.gz PJTLKUDJMIHXLA-DOMZBBRYSA-N 0 3 326.466 1.071 20 10 EDCDHN CN(C)c1ccc(CN(C)C(=O)CN2CCNC[C@@H]2C(F)F)cc1 ZINC000844225181 595309348 /nfs/dbraw/zinc/30/93/48/595309348.db2.gz ZYHFPUMBSXLKIP-OAHLLOKOSA-N 0 3 340.418 1.250 20 10 EDCDHN COC(=O)[C@]12C[N@H+](Cc3cc4c(cc3[O-])OC[C@@H]4O)C[C@H]1CCCC2 ZINC000848491554 595394969 /nfs/dbraw/zinc/39/49/69/595394969.db2.gz WBXGRYOCURYZRB-ACWOFJMJSA-N 0 3 347.411 1.983 20 10 EDCDHN COC(=O)[C@]12C[N@@H+](Cc3cc4c(cc3[O-])OC[C@@H]4O)C[C@H]1CCCC2 ZINC000848491554 595394971 /nfs/dbraw/zinc/39/49/71/595394971.db2.gz WBXGRYOCURYZRB-ACWOFJMJSA-N 0 3 347.411 1.983 20 10 EDCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2CNC(=O)C2)c1[O-] ZINC000848553446 595404938 /nfs/dbraw/zinc/40/49/38/595404938.db2.gz SVHGCFGBLCPKIZ-BDAKNGLRSA-N 0 3 343.221 1.950 20 10 EDCDHN CC(C)COC[C@@H](O)CNCc1ccc(N2CCC(O)CC2)cc1 ZINC000853121502 595672084 /nfs/dbraw/zinc/67/20/84/595672084.db2.gz FWFWCHCKFXWVFX-IBGZPJMESA-N 0 3 336.476 1.771 20 10 EDCDHN COc1cc(O)c(CN2CC[C@H](N(C)C(=O)N(C)C)C2)cc1OC ZINC000853585183 595814490 /nfs/dbraw/zinc/81/44/90/595814490.db2.gz VXPZGIMOQHZCDO-ZDUSSCGKSA-N 0 3 337.420 1.597 20 10 EDCDHN CCS(=O)(=O)C[C@@H](C)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850487074 595842445 /nfs/dbraw/zinc/84/24/45/595842445.db2.gz FEJRFWIITFVUIE-ZIAGYGMSSA-N 0 3 326.462 1.687 20 10 EDCDHN C[C@@H]1C[C@H]([NH2+]C[C@@]2(OCCO)CCOC2)c2c1c(F)ccc2[O-] ZINC000850507955 595846755 /nfs/dbraw/zinc/84/67/55/595846755.db2.gz LGJNZZCDPORMJG-ZUCKAHLUSA-N 0 3 325.380 1.837 20 10 EDCDHN Cn1nccc1[C@H](O)C1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000857061154 596150503 /nfs/dbraw/zinc/15/05/03/596150503.db2.gz KUXNSSUXISVFMR-GOSISDBHSA-N 0 3 345.399 1.800 20 10 EDCDHN O=C1OC[C@]2(CNCc3ccc(N4CCCCC4)cc3)COCCN12 ZINC000865769103 596676027 /nfs/dbraw/zinc/67/60/27/596676027.db2.gz UBSNSRKKOYZGCX-IBGZPJMESA-N 0 3 345.443 1.988 20 10 EDCDHN C[C@](O)(C[C@@H](O)CNCc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000872200087 596832001 /nfs/dbraw/zinc/83/20/01/596832001.db2.gz SXLWZWPAJZKZDF-MOPGFXCFSA-N 0 3 334.460 1.525 20 10 EDCDHN CN1C(=O)[C@H]2C[N@H+](Cc3cc(C(C)(C)C)cc(O)c3[O-])C[C@H]2C1=O ZINC000872714901 597042656 /nfs/dbraw/zinc/04/26/56/597042656.db2.gz TZBCTEDTTPJIGN-BETUJISGSA-N 0 3 332.400 1.442 20 10 EDCDHN CN1C(=O)[C@H]2C[N@@H+](Cc3cc(C(C)(C)C)cc(O)c3[O-])C[C@H]2C1=O ZINC000872714901 597042661 /nfs/dbraw/zinc/04/26/61/597042661.db2.gz TZBCTEDTTPJIGN-BETUJISGSA-N 0 3 332.400 1.442 20 10 EDCDHN COC(=O)N(C)CCNCc1ccc(OC)c(Cn2cccn2)c1 ZINC000873139022 597208565 /nfs/dbraw/zinc/20/85/65/597208565.db2.gz ZTGCFPNWOJQMNJ-UHFFFAOYSA-N 0 3 332.404 1.728 20 10 EDCDHN CC(=O)N[C@H](CC(C)C)C(=O)NC[C@H](N)c1ccc(N(C)C)cc1 ZINC000876507135 597224810 /nfs/dbraw/zinc/22/48/10/597224810.db2.gz WHORKZYNJLIOER-DLBZAZTESA-N 0 3 334.464 1.419 20 10 EDCDHN Cc1cccc([O-])c1C[NH2+]C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000876970551 597402167 /nfs/dbraw/zinc/40/21/67/597402167.db2.gz UUTSWROKAGRSIC-ZDUSSCGKSA-N 0 3 331.368 1.959 20 10 EDCDHN CCO[C@@H]1COCC[C@H]1NCc1ccc(N2CCC(O)CC2)cc1 ZINC000877344055 597496791 /nfs/dbraw/zinc/49/67/91/597496791.db2.gz CYNPPXLDEPXZRU-RTBURBONSA-N 0 3 334.460 1.931 20 10 EDCDHN C[C@H]1CN(CCO)CCN1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877576878 597537778 /nfs/dbraw/zinc/53/77/78/597537778.db2.gz QOCYZZGJIFMIMS-INIZCTEOSA-N 0 3 333.476 1.146 20 10 EDCDHN O=C1C[C@@H](NCc2ccc(N3CCOCC3)cc2)CN1CC1CC1 ZINC000883403882 597733631 /nfs/dbraw/zinc/73/36/31/597733631.db2.gz HOXDOMCXSOWKJD-QGZVFWFLSA-N 0 3 329.444 1.624 20 10 EDCDHN CN(C)c1ccc(CNC(=O)CN2CC[C@@H]3OCCC[C@H]3C2)cc1 ZINC000246938873 249313189 /nfs/dbraw/zinc/31/31/89/249313189.db2.gz WUILHRLIJXVPAF-WMZOPIPTSA-N 0 3 331.460 1.870 20 10 EDCDHN Cc1cccc(CN2CCC(N[C@H]3CCS(=O)(=O)C3)CC2)c1O ZINC000372813027 250226218 /nfs/dbraw/zinc/22/62/18/250226218.db2.gz SGBRZCCRCOGWKT-INIZCTEOSA-N 0 3 338.473 1.442 20 10 EDCDHN COc1ccc(N2CCCN(C[C@H](O)Cn3cccn3)CC2)cc1 ZINC000052467114 441452604 /nfs/dbraw/zinc/45/26/04/441452604.db2.gz UHFPJRQGVMUMPJ-KRWDZBQOSA-N 0 3 330.432 1.465 20 10 EDCDHN O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CCN2CCC[C@@H]2C1 ZINC000171716462 442373743 /nfs/dbraw/zinc/37/37/43/442373743.db2.gz UYTANRLDYQWAOF-MTCRFPMVSA-N 0 3 341.455 1.843 20 10 EDCDHN COCCN1CC[C@@H](NC(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000265635360 442854251 /nfs/dbraw/zinc/85/42/51/442854251.db2.gz SWURBMYIXUKZDH-CQSZACIVSA-N 0 3 338.427 1.412 20 10 EDCDHN COc1ccc(CN[C@@H]2CC(=O)N(CCN3CCOCC3)C2)cc1C ZINC000265837361 442940797 /nfs/dbraw/zinc/94/07/97/442940797.db2.gz FROWXDMUMLAANX-QGZVFWFLSA-N 0 3 347.459 1.026 20 10 EDCDHN CCN(CCO)CCNC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000183989232 442980656 /nfs/dbraw/zinc/98/06/56/442980656.db2.gz QBEPGNASNNEPOF-UHFFFAOYSA-N 0 3 330.432 1.533 20 10 EDCDHN COc1ccc(N2CCN(CCCNC(=O)[C@@H](N)C(C)C)CC2)cc1 ZINC000269269121 443259730 /nfs/dbraw/zinc/25/97/30/443259730.db2.gz RAGDUKGZCJQTEV-SFHVURJKSA-N 0 3 348.491 1.307 20 10 EDCDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000186038345 443301484 /nfs/dbraw/zinc/30/14/84/443301484.db2.gz MEXLSWPUHSKLNW-INIZCTEOSA-N 0 3 347.507 1.578 20 10 EDCDHN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](C)N2CCN(C)CC2)c1 ZINC000273621784 443583205 /nfs/dbraw/zinc/58/32/05/443583205.db2.gz ZHAJOBIPMAEINJ-ZIAGYGMSSA-N 0 3 335.448 1.465 20 10 EDCDHN CCOc1ccc([O-])c(C[NH2+]CCCOCCOCCOC)c1 ZINC000274390640 443604668 /nfs/dbraw/zinc/60/46/68/443604668.db2.gz KPWXFXZFBZUGGA-UHFFFAOYSA-N 0 3 327.421 1.950 20 10 EDCDHN CC(C)N1CCCN(CC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000292365609 443791739 /nfs/dbraw/zinc/79/17/39/443791739.db2.gz GBDONRPOFFYTCW-UHFFFAOYSA-N 0 3 332.492 1.785 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN(CC)C[C@H](C)OC)cc2=O ZINC000291116248 443750120 /nfs/dbraw/zinc/75/01/20/443750120.db2.gz AMOBWLZDLXMZQZ-NSHDSACASA-N 0 3 336.392 1.468 20 10 EDCDHN CC(C)N(C)CC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000299499701 444063921 /nfs/dbraw/zinc/06/39/21/444063921.db2.gz LWTWWMRGNQJKBB-UHFFFAOYSA-N 0 3 337.439 1.743 20 10 EDCDHN Oc1cc2c(cc1CN1CCC([C@H](O)c3ncc[nH]3)CC1)OCO2 ZINC000369139801 445949693 /nfs/dbraw/zinc/94/96/93/445949693.db2.gz LGJZJFHOPPWYHF-INIZCTEOSA-N 0 3 331.372 1.790 20 10 EDCDHN CCOC(=O)C[C@H]1C[C@H](OC)CN1Cc1cc2c(cc1O)OCO2 ZINC000376949298 446817169 /nfs/dbraw/zinc/81/71/69/446817169.db2.gz NVSUNQJXQWBTTQ-OLZOCXBDSA-N 0 3 337.372 1.663 20 10 EDCDHN CCOc1ccc(O)c(CN[C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)c1 ZINC000742393535 579450762 /nfs/dbraw/zinc/45/07/62/579450762.db2.gz YIULWFJFABYVQA-LRDDRELGSA-N 0 3 344.415 1.808 20 10 EDCDHN CCCN(C)CC(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000732924575 578735672 /nfs/dbraw/zinc/73/56/72/578735672.db2.gz YUMTUQGFRALSNX-UHFFFAOYSA-N 0 3 348.491 1.275 20 10 EDCDHN O=C1NC2(CO1)CCN(Cc1ccc(N3CCOCC3)cc1)CC2 ZINC000753587705 579883225 /nfs/dbraw/zinc/88/32/25/579883225.db2.gz UJZOLZJKQWATNU-UHFFFAOYSA-N 0 3 331.416 1.598 20 10 EDCDHN COc1cc(C)cc(CN2CCN([C@@H]3CCCN(C)C3)CC2)c1O ZINC000754732934 579910346 /nfs/dbraw/zinc/91/03/46/579910346.db2.gz XIBVCAXDEXMUKK-QGZVFWFLSA-N 0 3 333.476 1.921 20 10 EDCDHN C[C@@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cnn(C)c1 ZINC000765250923 580138386 /nfs/dbraw/zinc/13/83/86/580138386.db2.gz DSEWLUAJZIYSBZ-GDBMZVCRSA-N 0 3 341.459 1.973 20 10 EDCDHN CCOc1ccc(C[NH+]2CCC(C(=O)N3CCOCC3)CC2)c([O-])c1 ZINC000768194406 580208653 /nfs/dbraw/zinc/20/86/53/580208653.db2.gz XMOWVCDGQCDARF-UHFFFAOYSA-N 0 3 348.443 1.862 20 10 EDCDHN COc1cc(CN2CCN([C@H]3CCCN(C)C3)CC2)c(O)cc1C ZINC000768445288 580213053 /nfs/dbraw/zinc/21/30/53/580213053.db2.gz HEFRYQWNQPKGOT-KRWDZBQOSA-N 0 3 333.476 1.921 20 10 EDCDHN O=C([C@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1)N1CCCC1 ZINC000768447380 580213257 /nfs/dbraw/zinc/21/32/57/580213257.db2.gz OQUFLGWLKKJRHV-GUYCJALGSA-N 0 3 346.427 1.652 20 10 EDCDHN O=C([C@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1)N1CCCC1 ZINC000768447380 580213258 /nfs/dbraw/zinc/21/32/58/580213258.db2.gz OQUFLGWLKKJRHV-GUYCJALGSA-N 0 3 346.427 1.652 20 10 EDCDHN O=C([C@@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1)N1CCCC1 ZINC000768447377 580213306 /nfs/dbraw/zinc/21/33/06/580213306.db2.gz OQUFLGWLKKJRHV-DYVFJYSZSA-N 0 3 346.427 1.652 20 10 EDCDHN O=C([C@@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1)N1CCCC1 ZINC000768447377 580213307 /nfs/dbraw/zinc/21/33/07/580213307.db2.gz OQUFLGWLKKJRHV-DYVFJYSZSA-N 0 3 346.427 1.652 20 10 EDCDHN CCOc1cccc(C[NH+]2CCC(OCCC(=O)NC)CC2)c1[O-] ZINC000770287219 580257292 /nfs/dbraw/zinc/25/72/92/580257292.db2.gz WHPRPWPNOSSLSD-UHFFFAOYSA-N 0 3 336.432 1.908 20 10 EDCDHN COc1ccc(O)c([C@H](C)N[C@@H](C)C(=O)N2CCN(C(C)=O)CC2)c1 ZINC000775370995 580389442 /nfs/dbraw/zinc/38/94/42/580389442.db2.gz ZGAFSTIILGAFMO-STQMWFEESA-N 0 3 349.431 1.131 20 10 EDCDHN CC(=O)NC1CCN(Cc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC000775665963 580396697 /nfs/dbraw/zinc/39/66/97/580396697.db2.gz PALIVSGZRWZKTJ-UHFFFAOYSA-N 0 3 330.476 1.539 20 10 EDCDHN COC[C@H](NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCCO1 ZINC000788534658 580723871 /nfs/dbraw/zinc/72/38/71/580723871.db2.gz HRJBWNNAVVSARQ-WMZOPIPTSA-N 0 3 338.423 1.946 20 10 EDCDHN CN(Cc1cc2c(cc1O)CCCC2)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000793564615 580847864 /nfs/dbraw/zinc/84/78/64/580847864.db2.gz AZFVEPQCJIBRJI-INIZCTEOSA-N 0 3 338.473 1.737 20 10 EDCDHN COC(=O)c1cn(CC[NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)nn1 ZINC000793566648 580847870 /nfs/dbraw/zinc/84/78/70/580847870.db2.gz JZPYUWODXZUGDJ-GXSJLCMTSA-N 0 3 334.351 1.748 20 10 EDCDHN CC[C@H](NCCn1cc(C(=O)OC)nn1)c1ccc(N(C)C)cc1 ZINC000793567905 580847923 /nfs/dbraw/zinc/84/79/23/580847923.db2.gz MSYLEYQBDRMUII-HNNXBMFYSA-N 0 3 331.420 1.872 20 10 EDCDHN Cc1cc(C)c(O)c(CN2CCC[C@H](S(=O)(=O)N(C)C)C2)c1 ZINC000795654621 580932970 /nfs/dbraw/zinc/93/29/70/580932970.db2.gz UQYFIJJKFNGYFQ-HNNXBMFYSA-N 0 3 326.462 1.865 20 10 EDCDHN COc1ccc(CNc2nc(NCCO)nc(NC(C)C)n2)c(O)c1 ZINC000804682740 590737185 /nfs/dbraw/zinc/73/71/85/590737185.db2.gz RJQYAHDNIOJBTR-UHFFFAOYSA-N 0 3 348.407 1.422 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)CCc2cncn2C)N(C)C)cc1 ZINC000891247109 591016313 /nfs/dbraw/zinc/01/63/13/591016313.db2.gz FCWHVFPRQHOQNX-SFHVURJKSA-N 0 3 343.475 1.838 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)[C@@H](O)c2cccnc2)N(C)C)cc1 ZINC000891247855 591017581 /nfs/dbraw/zinc/01/75/81/591017581.db2.gz KWGDLNBSEUHGTI-ROUUACIJSA-N 0 3 342.443 1.600 20 10 EDCDHN CCN1CCO[C@H](C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000891250556 591018636 /nfs/dbraw/zinc/01/86/36/591018636.db2.gz AUAIHWPGWUBJHS-ROUUACIJSA-N 0 3 348.491 1.192 20 10 EDCDHN CCC(=O)N[C@H](C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891255000 591021814 /nfs/dbraw/zinc/02/18/14/591021814.db2.gz MDRHGDBQTQPAGJ-CZUORRHYSA-N 0 3 334.464 1.386 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)c2ccc(=O)[nH]c2)N(C)C)cc1 ZINC000891256894 591022126 /nfs/dbraw/zinc/02/21/26/591022126.db2.gz BJWLXGKXULJYFI-INIZCTEOSA-N 0 3 328.416 1.886 20 10 EDCDHN CC(C)NC(=O)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891614899 591149263 /nfs/dbraw/zinc/14/92/63/591149263.db2.gz QNXXVZDDHSANTM-INIZCTEOSA-N 0 3 349.479 1.179 20 10 EDCDHN COC(=O)c1c(CNCCCNC(C)=O)c2cc(F)ccc2n1C ZINC000894164070 591213679 /nfs/dbraw/zinc/21/36/79/591213679.db2.gz BBUJNYZYXABBFP-UHFFFAOYSA-N 0 3 335.379 1.720 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)NCc2cocn2)N(C)C)cc1 ZINC000892893182 591217138 /nfs/dbraw/zinc/21/71/38/591217138.db2.gz UMEZUJKKKGPEGO-MRXNPFEDSA-N 0 3 331.420 1.843 20 10 EDCDHN COC(=O)[C@@H]1[C@H](CN[C@H]2CCN(c3ccc(OC)cc3)C2)C1(F)F ZINC000895229445 591665098 /nfs/dbraw/zinc/66/50/98/591665098.db2.gz VQHKMJIGLLHXEQ-CQDKDKBSSA-N 0 3 340.370 1.918 20 10 EDCDHN CC[C@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)[C@H](C)O ZINC000899097916 591676018 /nfs/dbraw/zinc/67/60/18/591676018.db2.gz IUOFKJZXGOYBRW-JQFCIGGWSA-N 0 3 336.480 1.814 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)N[C@H](CCO)C2CC2)N(C)C)cc1 ZINC000899103326 591683801 /nfs/dbraw/zinc/68/38/01/591683801.db2.gz ZDIUXIMSALLKMK-QZTJIDSGSA-N 0 3 348.491 1.816 20 10 EDCDHN C[C@@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1nc[nH]n1 ZINC000899104708 591684195 /nfs/dbraw/zinc/68/41/95/591684195.db2.gz SKOILARNPBSUKA-DOMZBBRYSA-N 0 3 345.451 1.534 20 10 EDCDHN C[C@@H]1C[C@@H](O)CN1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899100564 591689805 /nfs/dbraw/zinc/68/98/05/591689805.db2.gz ANRJQURVFKEXDY-XYPHTWIQSA-N 0 3 334.464 1.520 20 10 EDCDHN COC(=O)[C@@]1(CNCc2cc(C)c(C)cc2O)C[C@@H]1S(C)(=O)=O ZINC000895508192 591779922 /nfs/dbraw/zinc/77/99/22/591779922.db2.gz BPJSEMRRAPLLST-GOEBONIOSA-N 0 3 341.429 1.075 20 10 EDCDHN COc1cc(O)c(C[NH2+][C@H]2CCN(c3cc(=O)[n-]cn3)C2)cc1OC ZINC000898154746 591805725 /nfs/dbraw/zinc/80/57/25/591805725.db2.gz HZLRPVSTARSUHZ-LBPRGKRZSA-N 0 3 346.387 1.274 20 10 EDCDHN CN(C)CCn1nccc1N1C(=O)CN(Cc2ccccc2O)C1=O ZINC000900249602 591958710 /nfs/dbraw/zinc/95/87/10/591958710.db2.gz KDKYFWRYXOKMNO-UHFFFAOYSA-N 0 3 343.387 1.119 20 10 EDCDHN CO[C@]1(CN[C@@H](C)c2ccc(N(C)C)cc2)CCS(=O)(=O)C1 ZINC000903369618 592161698 /nfs/dbraw/zinc/16/16/98/592161698.db2.gz YTWKCGDDTPHGSG-BBRMVZONSA-N 0 3 326.462 1.607 20 10 EDCDHN Cn1ccc([C@@H]2CCC[N@H+](Cc3cc4c(cc3[O-])OC[C@@H]4O)C2)n1 ZINC000905716793 592622122 /nfs/dbraw/zinc/62/21/22/592622122.db2.gz WXMSAOYJIGCDHT-PXAZEXFGSA-N 0 3 329.400 1.931 20 10 EDCDHN Cn1ccc([C@@H]2CCC[N@@H+](Cc3cc4c(cc3[O-])OC[C@@H]4O)C2)n1 ZINC000905716793 592622125 /nfs/dbraw/zinc/62/21/25/592622125.db2.gz WXMSAOYJIGCDHT-PXAZEXFGSA-N 0 3 329.400 1.931 20 10 EDCDHN CN(C)c1ccc([C@H](CNC2CC[NH+](CC(=O)[O-])CC2)N(C)C)cc1 ZINC000905810930 592647567 /nfs/dbraw/zinc/64/75/67/592647567.db2.gz PLRVKXYRMXXKDT-SFHVURJKSA-N 0 3 348.491 1.494 20 10 EDCDHN CN(C)c1ccc([C@H](C[NH2+]C2CCN(CC(=O)[O-])CC2)N(C)C)cc1 ZINC000905810930 592647570 /nfs/dbraw/zinc/64/75/70/592647570.db2.gz PLRVKXYRMXXKDT-SFHVURJKSA-N 0 3 348.491 1.494 20 10 EDCDHN C[C@H](NC(=O)C(=O)N[C@H]1CCN(C)[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000806043280 593182959 /nfs/dbraw/zinc/18/29/59/593182959.db2.gz ZMGDLSUQZAGPIW-DZKIICNBSA-N 0 3 346.475 1.529 20 10 EDCDHN C[C@@H](NC(=O)NC[C@@H]1CCCCN1CCO)c1ccc(N(C)C)cc1 ZINC000838560443 593187502 /nfs/dbraw/zinc/18/75/02/593187502.db2.gz XDWYYMWLMLTYFU-QAPCUYQASA-N 0 3 348.491 1.960 20 10 EDCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CC(=O)N2CCN(C)CC2)c1[O-] ZINC000808686997 593280903 /nfs/dbraw/zinc/28/09/03/593280903.db2.gz XYXPMLAZENJXPV-LBPRGKRZSA-N 0 3 325.840 1.779 20 10 EDCDHN CC(=O)N1CCN(c2ccc(CNC(=O)[C@H](N)C3CCC3)cc2)CC1 ZINC000818000035 593655276 /nfs/dbraw/zinc/65/52/76/593655276.db2.gz DBMDXORGPWPMJC-GOSISDBHSA-N 0 3 344.459 1.099 20 10 EDCDHN CCS(=O)(=O)C[C@@H](C)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000818342403 593693913 /nfs/dbraw/zinc/69/39/13/593693913.db2.gz QKVRWYNFIJNOIC-CABCVRRESA-N 0 3 340.489 1.934 20 10 EDCDHN COc1cc(Cl)cc(C[NH2+]C[C@]2(OCCO)CCOC2)c1[O-] ZINC000826943700 594607410 /nfs/dbraw/zinc/60/74/10/594607410.db2.gz YNUPDSSJBZMGRX-OAHLLOKOSA-N 0 3 331.796 1.312 20 10 EDCDHN Cc1nccn1CCCC(=O)NC[C@H](N)c1ccc(N(C)C)cc1 ZINC000832278223 594739805 /nfs/dbraw/zinc/73/98/05/594739805.db2.gz BUUFEJALOCBLRU-KRWDZBQOSA-N 0 3 329.448 1.854 20 10 EDCDHN COCc1nc(C(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)cs1 ZINC000832280147 594739992 /nfs/dbraw/zinc/73/99/92/594739992.db2.gz NGCKSHGYWLLYMS-CYBMUJFWSA-N 0 3 334.445 1.785 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNC(=O)CCn2ccccc2=O)cc1 ZINC000832300276 594741236 /nfs/dbraw/zinc/74/12/36/594741236.db2.gz QPGRXYYIPMTVML-MRXNPFEDSA-N 0 3 328.416 1.121 20 10 EDCDHN Cc1ccc([C@H](N)C(=O)NC[C@H](N)c2ccc(N(C)C)cc2)cc1 ZINC000841845803 594964054 /nfs/dbraw/zinc/96/40/54/594964054.db2.gz FBLZSSNRIMNRBN-ROUUACIJSA-N 0 3 326.444 1.877 20 10 EDCDHN [NH3+][C@H](CNC(=O)NCc1cc(Br)ccc1[O-])C1CC1 ZINC000841964862 594990702 /nfs/dbraw/zinc/99/07/02/594990702.db2.gz ASMSHFFBIIGEPH-LLVKDONJSA-N 0 3 328.210 1.691 20 10 EDCDHN C[C@@H](NCCN1CCCC1=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000846209334 595174847 /nfs/dbraw/zinc/17/48/47/595174847.db2.gz QLDXYOGALCWYNQ-CQSZACIVSA-N 0 3 335.423 1.935 20 10 EDCDHN C[C@H](NC(=O)N1CCN2C[C@H](O)C[C@H]2C1)c1ccc(N(C)C)cc1 ZINC000847357526 595403132 /nfs/dbraw/zinc/40/31/32/595403132.db2.gz ZCCJDXFMYNZWQJ-RRQGHBQHSA-N 0 3 332.448 1.274 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNC(=O)C(C)(C)n2ccc(N)n2)cc1 ZINC000852791622 595544680 /nfs/dbraw/zinc/54/46/80/595544680.db2.gz KWIXKHZHNVQEMB-CQSZACIVSA-N 0 3 330.436 1.083 20 10 EDCDHN CC(=O)N1CCN(CCNCc2cc(F)c(N(C)C)cc2F)CC1 ZINC000858097764 595699331 /nfs/dbraw/zinc/69/93/31/595699331.db2.gz YHJFIADHQCLNAR-UHFFFAOYSA-N 0 3 340.418 1.285 20 10 EDCDHN CN(C)c1ccc(CN(C[C@H]2CCCO2)c2nc(N)nc(N)n2)cc1 ZINC000858457211 595799877 /nfs/dbraw/zinc/79/98/77/595799877.db2.gz OQXGIDAUKIOXIM-CQSZACIVSA-N 0 3 343.435 1.288 20 10 EDCDHN C[C@@H](Cn1cncn1)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000850426821 595832124 /nfs/dbraw/zinc/83/21/24/595832124.db2.gz FQIZTYRXWVCMDP-ZDUSSCGKSA-N 0 3 333.411 1.557 20 10 EDCDHN CC(C)NCC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000851629425 595860678 /nfs/dbraw/zinc/86/06/78/595860678.db2.gz JLGZTSVLVOXMRL-HNNXBMFYSA-N 0 3 332.448 1.003 20 10 EDCDHN C[C@H]1NCCN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)[C@H]1C ZINC000851682403 595883027 /nfs/dbraw/zinc/88/30/27/595883027.db2.gz WJUJICFRJIFMJW-CABCVRRESA-N 0 3 346.475 1.540 20 10 EDCDHN CCN(CCN)C(=O)C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000861767744 596096073 /nfs/dbraw/zinc/09/60/73/596096073.db2.gz VGDAVMVCUCNZQJ-UHFFFAOYSA-N 0 3 338.427 1.095 20 10 EDCDHN C[C@@H]1CN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@@H](C)C1O ZINC000852501939 596184881 /nfs/dbraw/zinc/18/48/81/596184881.db2.gz YESFFYBBBVWLMI-HUUCEWRRSA-N 0 3 333.476 1.660 20 10 EDCDHN COc1ccc([O-])c(C[NH2+][C@@H]2CCN(c3ccc4nncn4n3)C2)c1 ZINC000862482358 596334556 /nfs/dbraw/zinc/33/45/56/596334556.db2.gz SIFUJKKEYYYPJJ-CYBMUJFWSA-N 0 3 340.387 1.207 20 10 EDCDHN CSC[C@](C)(O)CNCc1ccc(N2CCOCC2)c(F)c1 ZINC000120681152 596652067 /nfs/dbraw/zinc/65/20/67/596652067.db2.gz INCYBIYJXFFUFW-MRXNPFEDSA-N 0 3 328.453 1.866 20 10 EDCDHN CC[C@@H](C(=O)N1CCN(c2ccc(OC)cc2OC)CC1)N(C)C ZINC000870165512 596783194 /nfs/dbraw/zinc/78/31/94/596783194.db2.gz YKJXXQYBRPRGOC-HNNXBMFYSA-N 0 3 335.448 1.693 20 10 EDCDHN COc1ccc(CN[C@@]2(CCO)CCOC2)cc1Cn1cccn1 ZINC000873115587 597201100 /nfs/dbraw/zinc/20/11/00/597201100.db2.gz QIRIDWVBVCKCDG-SFHVURJKSA-N 0 3 331.416 1.571 20 10 EDCDHN c1cc(N2CCOCC2)ccc1CNC[C@H]1CN(C2CC2)CCO1 ZINC000106380090 237089772 /nfs/dbraw/zinc/08/97/72/237089772.db2.gz YKCBLNRKAAAVSF-IBGZPJMESA-N 0 3 331.460 1.476 20 10 EDCDHN Cc1ccc(O)c(CN2CCN(C[C@@H]3CN(C)CCO3)C[C@H]2C)c1 ZINC000372416129 250219881 /nfs/dbraw/zinc/21/98/81/250219881.db2.gz MRORPXHOKSAXFU-AEFFLSMTSA-N 0 3 333.476 1.537 20 10 EDCDHN COc1cccc(CN2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1O ZINC000093821265 533480117 /nfs/dbraw/zinc/48/01/17/533480117.db2.gz WPZWQILTGZTZEN-HNNXBMFYSA-N 0 3 333.432 1.139 20 10 EDCDHN COc1ccc(N2CCCN([C@@H](C)CN3CCOCC3)CC2)cc1 ZINC000091509149 441709269 /nfs/dbraw/zinc/70/92/69/441709269.db2.gz WBEVZHQPLCWZHF-KRWDZBQOSA-N 0 3 333.476 1.928 20 10 EDCDHN COc1cc(O)c(CN2CCC(Cn3ccnn3)CC2)cc1OC ZINC000160479921 441887510 /nfs/dbraw/zinc/88/75/10/441887510.db2.gz NAHAHQNQWKLZCJ-UHFFFAOYSA-N 0 3 332.404 1.913 20 10 EDCDHN COc1cc([O-])c(C[NH+]2CCC(Cn3ccnn3)CC2)cc1OC ZINC000160479921 441887514 /nfs/dbraw/zinc/88/75/14/441887514.db2.gz NAHAHQNQWKLZCJ-UHFFFAOYSA-N 0 3 332.404 1.913 20 10 EDCDHN CCn1nccc1N1CCC[C@@H](NCc2cc(OC)ccc2O)C1=O ZINC000191622753 442477540 /nfs/dbraw/zinc/47/75/40/442477540.db2.gz RFXDARXLBQLCQG-OAHLLOKOSA-N 0 3 344.415 1.902 20 10 EDCDHN CCN(C1CCN(Cc2cc(OC)ccc2O)CC1)S(C)(=O)=O ZINC000180186279 442555561 /nfs/dbraw/zinc/55/55/61/442555561.db2.gz BJPZZARGWJTPNR-UHFFFAOYSA-N 0 3 342.461 1.647 20 10 EDCDHN C[NH+](C)CCOc1ccc(CNC(=O)c2cccc(O)c2[O-])cc1 ZINC000186963331 442637444 /nfs/dbraw/zinc/63/74/44/442637444.db2.gz ZSNSEENLKHMOIX-UHFFFAOYSA-N 0 3 330.384 1.968 20 10 EDCDHN NC1(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CC1 ZINC000237931477 443189499 /nfs/dbraw/zinc/18/94/99/443189499.db2.gz RXMHNTYSPGXTDI-UHFFFAOYSA-N 0 3 343.349 1.650 20 10 EDCDHN COCCCN(C)CCNC(=O)NCc1cccc(OC)c1O ZINC000266781532 443239711 /nfs/dbraw/zinc/23/97/11/443239711.db2.gz LIANNPSTPIQSEZ-UHFFFAOYSA-N 0 3 325.409 1.168 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN(C)[C@H]1CCSC1)cc2=O ZINC000270487823 443473701 /nfs/dbraw/zinc/47/37/01/443473701.db2.gz OYZZUGNTCQOVOW-NSHDSACASA-N 0 3 336.417 1.549 20 10 EDCDHN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H](C)CN2CCN(C)CC2)c1 ZINC000273601742 443582640 /nfs/dbraw/zinc/58/26/40/443582640.db2.gz SBIHIKNBDDNJPS-LSDHHAIUSA-N 0 3 349.475 1.713 20 10 EDCDHN C[C@H]1CN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C[C@H]1C ZINC000267695106 443544070 /nfs/dbraw/zinc/54/40/70/443544070.db2.gz SRMQDLNLDXEQIJ-GASCZTMLSA-N 0 3 349.450 1.866 20 10 EDCDHN COCC1(C[NH2+]Cc2cc(OC)c(OC)cc2[O-])CCOCC1 ZINC000292833732 443855540 /nfs/dbraw/zinc/85/55/40/443855540.db2.gz ROLUNIZLJVGULG-UHFFFAOYSA-N 0 3 325.405 1.942 20 10 EDCDHN COc1cccc(CN2CCC(CNS(C)(=O)=O)CC2)c1O ZINC000289328816 444108868 /nfs/dbraw/zinc/10/88/68/444108868.db2.gz GNHCTALBULOMPE-UHFFFAOYSA-N 0 3 328.434 1.162 20 10 EDCDHN CN(CC[N@H+](C)Cc1ccccc1[O-])c1ccc(S(N)(=O)=O)cc1 ZINC000294955364 444161770 /nfs/dbraw/zinc/16/17/70/444161770.db2.gz DKXGNTNRCZESBO-UHFFFAOYSA-N 0 3 349.456 1.608 20 10 EDCDHN CN(CC[N@@H+](C)Cc1ccccc1[O-])c1ccc(S(N)(=O)=O)cc1 ZINC000294955364 444161773 /nfs/dbraw/zinc/16/17/73/444161773.db2.gz DKXGNTNRCZESBO-UHFFFAOYSA-N 0 3 349.456 1.608 20 10 EDCDHN CN(C)CCn1nccc1NC(=O)c1ccc(C2=S=CC=C2)o1 ZINC000359498448 446259922 /nfs/dbraw/zinc/25/99/22/446259922.db2.gz DIZYMBFCSBDICI-UHFFFAOYSA-N 0 3 330.413 1.916 20 10 EDCDHN CC[C@@H]1C[N@H+](Cc2cc3c(cc2[O-])OCO3)C[C@@H]1N1CCOCC1 ZINC000367479943 446552282 /nfs/dbraw/zinc/55/22/82/446552282.db2.gz ZVQZNPVTDZBEEB-HIFRSBDPSA-N 0 3 334.416 1.664 20 10 EDCDHN CC[C@@H]1C[N@@H+](Cc2cc3c(cc2[O-])OCO3)C[C@@H]1N1CCOCC1 ZINC000367479943 446552288 /nfs/dbraw/zinc/55/22/88/446552288.db2.gz ZVQZNPVTDZBEEB-HIFRSBDPSA-N 0 3 334.416 1.664 20 10 EDCDHN CNC(=O)CN1CCCN(Cc2cc(Cl)cc(C)c2O)CC1 ZINC000376830464 446742024 /nfs/dbraw/zinc/74/20/24/446742024.db2.gz CRVOULIZVSABMN-UHFFFAOYSA-N 0 3 325.840 1.608 20 10 EDCDHN CCCOc1ccc(CN2CCC(S(N)(=O)=O)CC2)c(O)c1 ZINC000369043912 447283765 /nfs/dbraw/zinc/28/37/65/447283765.db2.gz CCQGFCQZGYJWKC-UHFFFAOYSA-N 0 3 328.434 1.434 20 10 EDCDHN CN(C)c1ccc(CNC(=O)CN[C@H]2Cc3cccc(O)c3C2)cc1 ZINC000759705469 580012555 /nfs/dbraw/zinc/01/25/55/580012555.db2.gz QYOLROQXFFVBQY-INIZCTEOSA-N 0 3 339.439 1.831 20 10 EDCDHN COCCN1CC[C@@H](NC(=O)N[C@H](C)c2cc(OC)ccc2O)C1 ZINC000736663788 579009792 /nfs/dbraw/zinc/00/97/92/579009792.db2.gz AHHMXVCWVCMMGZ-CHWSQXEVSA-N 0 3 337.420 1.482 20 10 EDCDHN COc1cccc([O-])c1C[NH2+]C[C@@H]1CCC[C@]12NC(=O)N(C)C2=O ZINC000748098418 579669508 /nfs/dbraw/zinc/66/95/08/579669508.db2.gz CFNZOYHIVAWCSB-GTNSWQLSSA-N 0 3 333.388 1.211 20 10 EDCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000753545846 579882577 /nfs/dbraw/zinc/88/25/77/579882577.db2.gz WLLCZRAOCWCXPA-CALCHBBNSA-N 0 3 329.396 1.899 20 10 EDCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000753545846 579882578 /nfs/dbraw/zinc/88/25/78/579882578.db2.gz WLLCZRAOCWCXPA-CALCHBBNSA-N 0 3 329.396 1.899 20 10 EDCDHN CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000756410844 579949642 /nfs/dbraw/zinc/94/96/42/579949642.db2.gz KLKOWACIRVEQDO-KGLIPLIRSA-N 0 3 336.436 1.977 20 10 EDCDHN COC[C@](C)(CC(=O)OC)NCc1cc(OC)c(OC)cc1O ZINC000757920377 579973077 /nfs/dbraw/zinc/97/30/77/579973077.db2.gz RBYBWWQEHFTBIY-INIZCTEOSA-N 0 3 327.377 1.467 20 10 EDCDHN CCO[C@@H]1COCC[C@@H]1NCc1ccc(N2CCOCC2)c(F)c1 ZINC000759173892 580000204 /nfs/dbraw/zinc/00/02/04/580000204.db2.gz QOGIFPREAXNGSC-FUHWJXTLSA-N 0 3 338.423 1.946 20 10 EDCDHN O=C1CCCCN1C1CC[NH+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000768462475 580213787 /nfs/dbraw/zinc/21/37/87/580213787.db2.gz LUYCXCMAZPVLGP-KRWDZBQOSA-N 0 3 346.427 1.795 20 10 EDCDHN COC(=O)CCC1CC[NH+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000768462706 580213829 /nfs/dbraw/zinc/21/38/29/580213829.db2.gz CBVDRGWUJJNARF-MRXNPFEDSA-N 0 3 335.400 1.983 20 10 EDCDHN COc1ccc(O)c([C@H](C)NCC(=O)NCCCN2CCCC2=O)c1 ZINC000775369121 580389367 /nfs/dbraw/zinc/38/93/67/580389367.db2.gz JYNOJJHFFHIIEA-ZDUSSCGKSA-N 0 3 349.431 1.180 20 10 EDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@H](O)COC2CCOCC2)c1 ZINC000775369860 580389425 /nfs/dbraw/zinc/38/94/25/580389425.db2.gz ALETUAPFHYKROT-OLZOCXBDSA-N 0 3 325.405 1.608 20 10 EDCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H](O)COC[C@H]2CCCO2)c1 ZINC000775373519 580389540 /nfs/dbraw/zinc/38/95/40/580389540.db2.gz SXJMDCIFYZVYMP-KCQAQPDRSA-N 0 3 325.405 1.608 20 10 EDCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H](O)COC[C@H]2CCCO2)c1 ZINC000775373518 580389548 /nfs/dbraw/zinc/38/95/48/580389548.db2.gz SXJMDCIFYZVYMP-GZBFAFLISA-N 0 3 325.405 1.608 20 10 EDCDHN COc1ccc(O)c([C@@H](C)NCC(=O)NC(=O)NC2CCCC2)c1 ZINC000775373224 580389561 /nfs/dbraw/zinc/38/95/61/580389561.db2.gz PPBOXFDHPAUKOB-LLVKDONJSA-N 0 3 335.404 1.820 20 10 EDCDHN CN1CCN(c2ccc(CN3CCSC[C@@H]3CCO)cc2)CC1 ZINC000775737237 580399039 /nfs/dbraw/zinc/39/90/39/580399039.db2.gz LHIKLICQYAWIIG-SFHVURJKSA-N 0 3 335.517 1.738 20 10 EDCDHN C[C@H](NCc1ccc(N2CCN(C)CC2)cc1)c1nnnn1C1CC1 ZINC000791008171 580782857 /nfs/dbraw/zinc/78/28/57/580782857.db2.gz CZAJIKPTEKPCJD-AWEZNQCLSA-N 0 3 341.463 1.611 20 10 EDCDHN CN1CCN(c2ccc(CNC(C)(C)C(=O)N3CCCC3)cc2)CC1 ZINC000793393945 580843338 /nfs/dbraw/zinc/84/33/38/580843338.db2.gz GGSOMJJDRWNJSH-UHFFFAOYSA-N 0 3 344.503 1.929 20 10 EDCDHN COc1cccc([O-])c1C[NH2+][C@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000800309924 581050276 /nfs/dbraw/zinc/05/02/76/581050276.db2.gz QAQDKOGBFQIKRZ-AAEUAGOBSA-N 0 3 328.434 1.208 20 10 EDCDHN C[C@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C(=O)N(C)C ZINC000891990036 590730659 /nfs/dbraw/zinc/73/06/59/590730659.db2.gz MCCLKNMZLZPSIF-XJKSGUPXSA-N 0 3 349.479 1.131 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)/C=C/c2cn(C)cn2)N(C)C)cc1 ZINC000891241252 591012851 /nfs/dbraw/zinc/01/28/51/591012851.db2.gz AAERWKWAIRCUFX-MZEUMTGBSA-N 0 3 341.459 1.918 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)c2ccc(C(N)=O)o2)N(C)C)cc1 ZINC000891250659 591018888 /nfs/dbraw/zinc/01/88/88/591018888.db2.gz BNUUXIUNPZEFTC-CQSZACIVSA-N 0 3 344.415 1.477 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCCN2C(N)=O)N(C)C)cc1 ZINC000891251514 591020157 /nfs/dbraw/zinc/02/01/57/591020157.db2.gz FRZWSOJIDBSTDP-JKSUJKDBSA-N 0 3 347.463 1.015 20 10 EDCDHN COc1ccc(CN2CCC(N3CCNC3=O)CC2)c(O)c1OC ZINC000891407836 591068492 /nfs/dbraw/zinc/06/84/92/591068492.db2.gz UJMOLMQITUOUOX-UHFFFAOYSA-N 0 3 335.404 1.399 20 10 EDCDHN CNS(=O)(=O)C1CCN(Cc2cc(C)cc(OC)c2O)CC1 ZINC000894019720 591168315 /nfs/dbraw/zinc/16/83/15/591168315.db2.gz BHTVBHZZJSKLNS-UHFFFAOYSA-N 0 3 328.434 1.223 20 10 EDCDHN COc1ccc(C[NH2+][C@H](CO)C[C@H](O)C(C)(C)C)c([O-])c1OC ZINC000894294611 591269440 /nfs/dbraw/zinc/26/94/40/591269440.db2.gz MLYAJISZUOAWPR-JSGCOSHPSA-N 0 3 327.421 1.657 20 10 EDCDHN COc1cc(C)cc(C[NH2+]C[C@H]2CCC[C@]23NC(=O)N(C)C3=O)c1[O-] ZINC000894317201 591276036 /nfs/dbraw/zinc/27/60/36/591276036.db2.gz KQQNEEZIMFUUKU-ACJLOTCBSA-N 0 3 347.415 1.519 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)NCc2cccnn2)N(C)C)cc1 ZINC000894458593 591317222 /nfs/dbraw/zinc/31/72/22/591317222.db2.gz WYTNLQBPJGNBJU-KRWDZBQOSA-N 0 3 342.447 1.645 20 10 EDCDHN CCS(=O)(=O)C[C@@H](C)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898450086 591353387 /nfs/dbraw/zinc/35/33/87/591353387.db2.gz MZFUJPHVVSPVDF-PBHICJAKSA-N 0 3 341.521 1.768 20 10 EDCDHN C/C=C\C[C@H](CO)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899104997 591684384 /nfs/dbraw/zinc/68/43/84/591684384.db2.gz UWDITUZPKDPPQV-ANBQXBGZSA-N 0 3 348.491 1.982 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)N[C@@H](CO)C2CCC2)N(C)C)cc1 ZINC000899098502 591688218 /nfs/dbraw/zinc/68/82/18/591688218.db2.gz OZYDTDIQRPBPBH-ZWKOTPCHSA-N 0 3 348.491 1.816 20 10 EDCDHN C[C@H](O)CN(C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C1CC1 ZINC000899099090 591688975 /nfs/dbraw/zinc/68/89/75/591688975.db2.gz VIKOXDZSNGAFEY-KBXCAEBGSA-N 0 3 348.491 1.910 20 10 EDCDHN CN(C)c1ccc(/C=C\CN2CCC3(CC2)C[C@H](O)CNC3=O)cc1 ZINC000897047733 591721501 /nfs/dbraw/zinc/72/15/01/591721501.db2.gz XPWLMPDRVRKDST-JXCVUKRWSA-N 0 3 343.471 1.729 20 10 EDCDHN COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCN(c3cc(=O)[n-]cn3)C2)c1 ZINC000898152550 591804192 /nfs/dbraw/zinc/80/41/92/591804192.db2.gz KMHSTTBFMLEPCP-VXGBXAGGSA-N 0 3 330.388 1.826 20 10 EDCDHN CCN(C)c1ccc(Cn2cc(CNC3CCN(C)CC3)nn2)cc1 ZINC000900550099 592045860 /nfs/dbraw/zinc/04/58/60/592045860.db2.gz NKKFLMSJEXUZIZ-UHFFFAOYSA-N 0 3 342.491 1.966 20 10 EDCDHN CC(C)N1CCN(CCCC(=O)NCc2ccc(O)c(O)c2)CC1 ZINC000901133377 592251269 /nfs/dbraw/zinc/25/12/69/592251269.db2.gz XDEADCYGPLOIIH-UHFFFAOYSA-N 0 3 335.448 1.520 20 10 EDCDHN C[C@](O)(CNCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C(F)F ZINC000905060605 592396503 /nfs/dbraw/zinc/39/65/03/592396503.db2.gz WBFZCGKIBYLLSM-DYVFJYSZSA-N 0 3 341.402 1.494 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC2CC[NH+](CC(=O)[O-])CC2)N(C)C)cc1 ZINC000905810929 592647763 /nfs/dbraw/zinc/64/77/63/592647763.db2.gz PLRVKXYRMXXKDT-GOSISDBHSA-N 0 3 348.491 1.494 20 10 EDCDHN CN(C)c1ccc([C@@H](C[NH2+]C2CCN(CC(=O)[O-])CC2)N(C)C)cc1 ZINC000905810929 592647766 /nfs/dbraw/zinc/64/77/66/592647766.db2.gz PLRVKXYRMXXKDT-GOSISDBHSA-N 0 3 348.491 1.494 20 10 EDCDHN CN(C)c1ccc(CNC(=O)C(=O)N2CCC[C@H]3CC[C@@]32CN)cc1 ZINC000910994069 592908226 /nfs/dbraw/zinc/90/82/26/592908226.db2.gz USXWJFIMLIFZOI-HNAYVOBHSA-N 0 3 344.459 1.099 20 10 EDCDHN COC(=O)c1nc(C(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)cs1 ZINC000911668517 592974469 /nfs/dbraw/zinc/97/44/69/592974469.db2.gz YRXKHTBAAIAQTH-GFCCVEGCSA-N 0 3 348.428 1.426 20 10 EDCDHN CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cc4c(cc3[O-])OCO4)[C@H]2C1 ZINC000808446185 593258975 /nfs/dbraw/zinc/25/89/75/593258975.db2.gz JABFKIFPVBGSAI-QEJZJMRPSA-N 0 3 332.400 1.858 20 10 EDCDHN CN1CCN(c2ccc(CN3C[C@@H](CO)OC(C)(C)C3)cc2)CC1 ZINC000817412492 593603215 /nfs/dbraw/zinc/60/32/15/593603215.db2.gz LTQZYWWODUBKJS-SFHVURJKSA-N 0 3 333.476 1.410 20 10 EDCDHN CN(C)c1ccc(CN(C)C(=O)C(=O)N(C)C[C@H]2CCCN2C)cc1 ZINC000817761529 593628862 /nfs/dbraw/zinc/62/88/62/593628862.db2.gz MFFHTFRIKKEPCL-QGZVFWFLSA-N 0 3 346.475 1.264 20 10 EDCDHN CSC[C@@H](O)CNCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000818968251 593731038 /nfs/dbraw/zinc/73/10/38/593731038.db2.gz OZOLADUBZNEXNI-ZBFHGGJFSA-N 0 3 337.489 1.202 20 10 EDCDHN COc1ccc(N2CC[C@@H](CNC(=S)NCCN(C)C)C2)cc1 ZINC000819019532 593734112 /nfs/dbraw/zinc/73/41/12/593734112.db2.gz AVVOYGRWRFFMBL-AWEZNQCLSA-N 0 3 336.505 1.547 20 10 EDCDHN C[C@@H](NC(=O)C[C@H]1CNCCO1)c1ccc(N2CCOCC2)cc1 ZINC000827725387 594265841 /nfs/dbraw/zinc/26/58/41/594265841.db2.gz GWMUSOPFVNSLKT-PBHICJAKSA-N 0 3 333.432 1.079 20 10 EDCDHN COc1ccc(N2CCC(NC(=O)C[C@H]3CNCCO3)CC2)cc1 ZINC000828353318 594398652 /nfs/dbraw/zinc/39/86/52/594398652.db2.gz MMIKMSSUUVYQPP-KRWDZBQOSA-N 0 3 333.432 1.159 20 10 EDCDHN CC1(C)CN[C@@H]1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000827469496 594675169 /nfs/dbraw/zinc/67/51/69/594675169.db2.gz ZLIJEOVMNGOGGD-GDBMZVCRSA-N 0 3 344.459 1.003 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)c2cc3c(cn2)OCCO3)cc1 ZINC000832267319 594739015 /nfs/dbraw/zinc/73/90/15/594739015.db2.gz QKZQCPGXLUWPDX-AWEZNQCLSA-N 0 3 342.399 1.349 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)c2csc3cncn32)cc1 ZINC000832272489 594739507 /nfs/dbraw/zinc/73/95/07/594739507.db2.gz GFFLSLHLNQSZRG-ZDUSSCGKSA-N 0 3 329.429 1.892 20 10 EDCDHN COCCO[C@@H]1C[C@@H](CO)CN(Cc2ccc(N(C)C)cc2C)C1 ZINC000840941266 594830520 /nfs/dbraw/zinc/83/05/20/594830520.db2.gz VDTUMEDMXPYIDY-VQIMIIECSA-N 0 3 336.476 1.907 20 10 EDCDHN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H](CN)CC(C)C ZINC000842152256 595023946 /nfs/dbraw/zinc/02/39/46/595023946.db2.gz FNVVSPHVWPTPLD-HNNXBMFYSA-N 0 3 334.464 1.167 20 10 EDCDHN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCCC[C@H]1CN ZINC000842153732 595024768 /nfs/dbraw/zinc/02/47/68/595024768.db2.gz PQSXFNSLUVMMOX-INIZCTEOSA-N 0 3 332.448 1.017 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNC(=O)c2cnccc2N(C)C)cc1 ZINC000843298684 595066839 /nfs/dbraw/zinc/06/68/39/595066839.db2.gz PTMUCRIWMQZDIF-MRXNPFEDSA-N 0 3 327.432 1.643 20 10 EDCDHN COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)C[NH2+]CC1CC1 ZINC000843489949 595127869 /nfs/dbraw/zinc/12/78/69/595127869.db2.gz UGANODURRBWAGC-UHFFFAOYSA-N 0 3 340.807 1.547 20 10 EDCDHN C[C@@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C1)c1cc2c(cc1[O-])CCCC2 ZINC000846186915 595167882 /nfs/dbraw/zinc/16/78/82/595167882.db2.gz HLTMVPVBQKAKEE-IUODEOHRSA-N 0 3 338.473 1.956 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNS(=O)(=O)Cc2ccccc2)cc1 ZINC000842784817 595197671 /nfs/dbraw/zinc/19/76/71/595197671.db2.gz AZFFBENTMIZFNF-KRWDZBQOSA-N 0 3 333.457 1.872 20 10 EDCDHN CN(C)C(=O)CCN1CCN(C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000835028616 595247491 /nfs/dbraw/zinc/24/74/91/595247491.db2.gz NFZUDWSHWMIJIZ-WAYWQWQTSA-N 0 3 344.503 1.862 20 10 EDCDHN CN(C)c1ccc(/C=C/CN2CCC[C@H](CS(N)(=O)=O)C2)cc1 ZINC000835029778 595248470 /nfs/dbraw/zinc/24/84/70/595248470.db2.gz SFHWNXRZRJZJNZ-WMHVBEDNSA-N 0 3 337.489 1.766 20 10 EDCDHN CN(C)c1ccc(/C=C/CNCCOCCS(C)(=O)=O)cc1 ZINC000835038457 595251841 /nfs/dbraw/zinc/25/18/41/595251841.db2.gz AQAMYUZONKLJGP-SNAWJCMRSA-N 0 3 326.462 1.417 20 10 EDCDHN CCOc1ccc(C[N@@H+]2CCC[C@@H](C(=O)N3CCNCC3)C2)c([O-])c1 ZINC000843047023 595273090 /nfs/dbraw/zinc/27/30/90/595273090.db2.gz LDEJCCNBCXZTKN-MRXNPFEDSA-N 0 3 347.459 1.435 20 10 EDCDHN CCOc1ccc(C[N@H+]2CCC[C@@H](C(=O)N3CCNCC3)C2)c([O-])c1 ZINC000843047023 595273092 /nfs/dbraw/zinc/27/30/92/595273092.db2.gz LDEJCCNBCXZTKN-MRXNPFEDSA-N 0 3 347.459 1.435 20 10 EDCDHN COCC[N@H+](C)CCCNC(=O)NCc1cc(Cl)ccc1[O-] ZINC000844888929 595408365 /nfs/dbraw/zinc/40/83/65/595408365.db2.gz ZUASPXBNBJUTGP-UHFFFAOYSA-N 0 3 329.828 1.813 20 10 EDCDHN COCC[N@@H+](C)CCCNC(=O)NCc1cc(Cl)ccc1[O-] ZINC000844888929 595408366 /nfs/dbraw/zinc/40/83/66/595408366.db2.gz ZUASPXBNBJUTGP-UHFFFAOYSA-N 0 3 329.828 1.813 20 10 EDCDHN CCOc1ccc(O)c(CNCCS(=O)(=O)CC(F)(F)F)c1 ZINC000850363569 595819054 /nfs/dbraw/zinc/81/90/54/595819054.db2.gz AEMBOKYRCHCQKI-UHFFFAOYSA-N 0 3 341.351 1.858 20 10 EDCDHN CN(Cc1ccc(N2CCOCC2)cc1)C[C@@H](O)CC1(O)CCC1 ZINC000859060255 595965731 /nfs/dbraw/zinc/96/57/31/595965731.db2.gz PPPKMFQBXFJILL-SFHVURJKSA-N 0 3 334.460 1.621 20 10 EDCDHN COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCCN(C)C3)C2)cc1 ZINC000852186761 596076695 /nfs/dbraw/zinc/07/66/95/596076695.db2.gz HZEYBYGOOIJLJS-GJZGRUSLSA-N 0 3 332.448 1.667 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@@H]3COC[C@@H]3C1)cc2=O ZINC000852669495 596224640 /nfs/dbraw/zinc/22/46/40/596224640.db2.gz STIIXLBRZREIIC-NEPJUHHUSA-N 0 3 346.387 1.080 20 10 EDCDHN Nc1ccc(OCc2cn(CCCN3CCSCC3)nn2)cc1 ZINC000864627963 596289425 /nfs/dbraw/zinc/28/94/25/596289425.db2.gz WNFAXNDGPDQZKW-UHFFFAOYSA-N 0 3 333.461 1.878 20 10 EDCDHN COc1cnc(C(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)c(F)c1 ZINC000870932934 596410677 /nfs/dbraw/zinc/41/06/77/596410677.db2.gz LYMDHDCBFPFZEU-OAHLLOKOSA-N 0 3 332.379 1.725 20 10 EDCDHN C[C@@H](NC(=O)NC[C@H](C)CN1CCN(C)CC1)c1ccccc1O ZINC000868358906 596799965 /nfs/dbraw/zinc/79/99/65/596799965.db2.gz UHUFWWUYMQUNND-LSDHHAIUSA-N 0 3 334.464 1.636 20 10 EDCDHN COCCn1ncc(C(=O)NC[C@H](N)c2ccc(N(C)C)cc2)c1C ZINC000876506610 597224424 /nfs/dbraw/zinc/22/44/24/597224424.db2.gz MJUMOKZNCMYNLO-KRWDZBQOSA-N 0 3 345.447 1.334 20 10 EDCDHN CC(C(=O)N(Cc1ccco1)Cc1ccccc1O)S(C)(=O)=O ZINC000125344782 597353440 /nfs/dbraw/zinc/35/34/40/597353440.db2.gz VBXLKFKPZUKFEN-LBPRGKRZSA-N 0 3 337.397 1.947 20 10 EDCDHN CN1CCn2nc(NCc3ccc(N4CCC(O)CC4)cc3)cc2C1 ZINC000883199911 597683350 /nfs/dbraw/zinc/68/33/50/597683350.db2.gz TYBGUNWETJTOMV-UHFFFAOYSA-N 0 3 341.459 1.902 20 10 EDCDHN CS(=O)(=O)[C@H]1C[C@H](NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000883379133 597728599 /nfs/dbraw/zinc/72/85/99/597728599.db2.gz OQJCHKFPMJSXPN-HDJSIYSDSA-N 0 3 342.436 1.328 20 10 EDCDHN CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H](N)CCOC ZINC000884168785 598013159 /nfs/dbraw/zinc/01/31/59/598013159.db2.gz NPPKBZYLBIKXMX-LBPRGKRZSA-N 0 3 345.237 1.867 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN(C)C[C@@H]1CCC[C@@H]1O)cc2=O ZINC000270064663 249382386 /nfs/dbraw/zinc/38/23/86/249382386.db2.gz HGJZRWASWJOBHI-FZMZJTMJSA-N 0 3 348.403 1.204 20 10 EDCDHN CN1CCC[C@@H](N2CCN(C(=O)/C=C/c3ccc(O)c(O)c3)CC2)C1 ZINC000374804731 250272878 /nfs/dbraw/zinc/27/28/78/250272878.db2.gz DBSGVDMPSAXXLB-BIENSFFJSA-N 0 3 345.443 1.349 20 10 EDCDHN CN(C)CC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000134269304 442463959 /nfs/dbraw/zinc/46/39/59/442463959.db2.gz XRSIIDOOPIKOMO-CQSZACIVSA-N 0 3 325.840 1.688 20 10 EDCDHN Cc1ccc(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)c([O-])c1O ZINC000179508593 442469369 /nfs/dbraw/zinc/46/93/69/442469369.db2.gz GIGDXOBYMMEKLC-CYBMUJFWSA-N 0 3 334.416 1.637 20 10 EDCDHN CCN1CCN(CCCCNC(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000180776937 442658752 /nfs/dbraw/zinc/65/87/52/442658752.db2.gz DKLRMPVTZNOUDM-SOFGYWHQSA-N 0 3 347.459 1.645 20 10 EDCDHN COCCN1CC[C@@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000265954151 442982917 /nfs/dbraw/zinc/98/29/17/442982917.db2.gz VESRENYUFSZWOQ-QGZVFWFLSA-N 0 3 344.459 1.583 20 10 EDCDHN COc1cc(Cl)cc(CN2CCC3(CC2)NC(=O)NC3=O)c1O ZINC000273788260 443585797 /nfs/dbraw/zinc/58/57/97/443585797.db2.gz UVWOCXSCGPXGHX-UHFFFAOYSA-N 0 3 339.779 1.228 20 10 EDCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCCN(C)C1CC1 ZINC000285045344 443834938 /nfs/dbraw/zinc/83/49/38/443834938.db2.gz NLRTZRRXFXLNBA-UHFFFAOYSA-N 0 3 346.475 1.312 20 10 EDCDHN COC1CCN(c2ccc(CN3CCN(C[C@@H](C)O)CC3)cc2)CC1 ZINC000295818640 444193284 /nfs/dbraw/zinc/19/32/84/444193284.db2.gz UYNUPBBSSQGNHL-QGZVFWFLSA-N 0 3 347.503 1.800 20 10 EDCDHN O=C(c1cnccn1)N1CCC([NH2+]Cc2cc(F)ccc2[O-])CC1 ZINC000360660013 445720080 /nfs/dbraw/zinc/72/00/80/445720080.db2.gz ANVMZQGVWQDMNR-UHFFFAOYSA-N 0 3 330.363 1.716 20 10 EDCDHN Cc1cccc(C[N@H+]2CC[C@H](N(C)Cc3nccc(N)n3)C2)c1[O-] ZINC000369512589 446127039 /nfs/dbraw/zinc/12/70/39/446127039.db2.gz XHWZOGDHVKMFQD-HNNXBMFYSA-N 0 3 327.432 1.779 20 10 EDCDHN Cc1cccc(C[N@@H+]2CC[C@H](N(C)Cc3nccc(N)n3)C2)c1[O-] ZINC000369512589 446127042 /nfs/dbraw/zinc/12/70/42/446127042.db2.gz XHWZOGDHVKMFQD-HNNXBMFYSA-N 0 3 327.432 1.779 20 10 EDCDHN CN1CC[C@H]2CCN(c3cc4c(cc3[N+](=O)[O-])OCC(=O)N4)C[C@H]21 ZINC000375047230 446540595 /nfs/dbraw/zinc/54/05/95/446540595.db2.gz CIJCHHPFIJJLSK-IINYFYTJSA-N 0 3 332.360 1.456 20 10 EDCDHN CN1CCN(C[C@H]2CN(Cc3cc(Cl)ccc3[O-])CCO2)CC1 ZINC000371382876 446821732 /nfs/dbraw/zinc/82/17/32/446821732.db2.gz LSXADOATOITLIU-INIZCTEOSA-N 0 3 339.867 1.494 20 10 EDCDHN CN1CCN(C[C@H]2CN(Cc3cc(Cl)ccc3O)CCO2)CC1 ZINC000371382876 446821736 /nfs/dbraw/zinc/82/17/36/446821736.db2.gz LSXADOATOITLIU-INIZCTEOSA-N 0 3 339.867 1.494 20 10 EDCDHN COC(=O)c1cn([C@H]2CCC[N@H+](Cc3cc(C)ccc3[O-])C2)nn1 ZINC000372034805 446982911 /nfs/dbraw/zinc/98/29/11/446982911.db2.gz YGLSOBPQPGCCNQ-AWEZNQCLSA-N 0 3 330.388 1.916 20 10 EDCDHN COC(=O)c1cn([C@H]2CCC[N@@H+](Cc3cc(C)ccc3[O-])C2)nn1 ZINC000372034805 446982915 /nfs/dbraw/zinc/98/29/15/446982915.db2.gz YGLSOBPQPGCCNQ-AWEZNQCLSA-N 0 3 330.388 1.916 20 10 EDCDHN COC(=O)c1cn([C@H]2CCCN(Cc3cc(C)ccc3O)C2)nn1 ZINC000372034805 446982921 /nfs/dbraw/zinc/98/29/21/446982921.db2.gz YGLSOBPQPGCCNQ-AWEZNQCLSA-N 0 3 330.388 1.916 20 10 EDCDHN Cc1cc([O-])c(C[NH2+]C[C@]2(CO)COCC3(CCC3)N2C)cc1C ZINC000527751510 448351040 /nfs/dbraw/zinc/35/10/40/448351040.db2.gz COUXRVBILCMCNM-IBGZPJMESA-N 0 3 334.460 1.714 20 10 EDCDHN COC[C@@](C)(CCO)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000749923679 579744121 /nfs/dbraw/zinc/74/41/21/579744121.db2.gz XKCGVFMAPAOEFD-QGZVFWFLSA-N 0 3 326.412 1.539 20 10 EDCDHN C[C@@H](NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1cc(F)cc(F)c1[O-] ZINC000756547992 579952135 /nfs/dbraw/zinc/95/21/35/579952135.db2.gz IMXFLAZYPDXVKL-NEPJUHHUSA-N 0 3 341.402 1.908 20 10 EDCDHN C[C@@H](NCCC[N@H+]1CCC[C@H](C(N)=O)C1)c1cc(F)cc(F)c1[O-] ZINC000756547992 579952136 /nfs/dbraw/zinc/95/21/36/579952136.db2.gz IMXFLAZYPDXVKL-NEPJUHHUSA-N 0 3 341.402 1.908 20 10 EDCDHN CCN(CC)c1ccc(CNC(=O)NC[C@@]2(O)CCN(C)C2)cc1 ZINC000763010432 580089600 /nfs/dbraw/zinc/08/96/00/580089600.db2.gz CMJRYTXQBGUGAH-SFHVURJKSA-N 0 3 334.464 1.399 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCN(C)[C@H](C)[C@H]1C)cc2=O ZINC000771457787 580287216 /nfs/dbraw/zinc/28/72/16/580287216.db2.gz CNAWMLIOQXMFBN-VXGBXAGGSA-N 0 3 347.419 1.136 20 10 EDCDHN COCC[C@]1(NCC(=O)N(C)Cc2ccc(N(C)C)cc2)CCOC1 ZINC000773956414 580350212 /nfs/dbraw/zinc/35/02/12/580350212.db2.gz WKIDRIXMWUPIPB-IBGZPJMESA-N 0 3 349.475 1.496 20 10 EDCDHN COc1ccc(O)c([C@@H](C)NCC(=O)NC(=O)NCC(F)(F)F)c1 ZINC000775371935 580389473 /nfs/dbraw/zinc/38/94/73/580389473.db2.gz VTRTYKKULYNRGX-MRVPVSSYSA-N 0 3 349.309 1.440 20 10 EDCDHN COCCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)c1cc(OC)ccc1[O-] ZINC000776867699 580430247 /nfs/dbraw/zinc/43/02/47/580430247.db2.gz DZPUZZNFJFGSMZ-SRCQZFHVSA-N 0 3 325.405 1.872 20 10 EDCDHN Cc1cc(C(=O)NC[C@](C)(O)CCN(C)C)c(C)n1-c1ccccn1 ZINC000779543618 580488664 /nfs/dbraw/zinc/48/86/64/580488664.db2.gz HSFRLZQASVZNRC-LJQANCHMSA-N 0 3 344.459 1.922 20 10 EDCDHN CN1CCN(c2ccc(CN3CCC4(CNC(=O)O4)CC3)cc2)CC1 ZINC000783721494 580604696 /nfs/dbraw/zinc/60/46/96/580604696.db2.gz ARDMTVJKIRWHQJ-UHFFFAOYSA-N 0 3 344.459 1.513 20 10 EDCDHN CCNC(=O)C[C@H]1CCCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000789521903 580748537 /nfs/dbraw/zinc/74/85/37/580748537.db2.gz UVDJHVKCFOPFSF-CZUORRHYSA-N 0 3 334.416 1.699 20 10 EDCDHN CCNC(=O)C[C@H]1CCCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000789521903 580748538 /nfs/dbraw/zinc/74/85/38/580748538.db2.gz UVDJHVKCFOPFSF-CZUORRHYSA-N 0 3 334.416 1.699 20 10 EDCDHN CN(Cc1cc2c(cc1O)CCCC2)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000793564616 580847912 /nfs/dbraw/zinc/84/79/12/580847912.db2.gz AZFVEPQCJIBRJI-MRXNPFEDSA-N 0 3 338.473 1.737 20 10 EDCDHN CS(=O)(=O)N1CCCC[C@H]1C[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000796514052 580955438 /nfs/dbraw/zinc/95/54/38/580955438.db2.gz UUTBZYADRSKSFY-LBPRGKRZSA-N 0 3 342.417 1.025 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)Cc2cncnc2)N(C)C)cc1 ZINC000891247480 591017627 /nfs/dbraw/zinc/01/76/27/591017627.db2.gz HQFKKSFXDMRGGQ-KRWDZBQOSA-N 0 3 327.432 1.504 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cc[n+]([O-])cc2)N(C)C)cc1 ZINC000891257116 591022483 /nfs/dbraw/zinc/02/24/83/591022483.db2.gz CPENLPCNKGTFEX-QGZVFWFLSA-N 0 3 328.416 1.419 20 10 EDCDHN CCN1CCN([C@@H](C)C[NH2+]Cc2ccc(OC)c(OC)c2[O-])CC1 ZINC000892575381 591078227 /nfs/dbraw/zinc/07/82/27/591078227.db2.gz VCNMZCNXPIJQDJ-AWEZNQCLSA-N 0 3 337.464 1.525 20 10 EDCDHN COc1ccc(C[NH2+]CCNC(=O)c2ccccc2)c([O-])c1OC ZINC000892703733 591138794 /nfs/dbraw/zinc/13/87/94/591138794.db2.gz NWHLAHULWFANJR-UHFFFAOYSA-N 0 3 330.384 1.929 20 10 EDCDHN COC(=O)/C=C\c1ccc(N2CC[C@@H]3CN(C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000893940002 591144113 /nfs/dbraw/zinc/14/41/13/591144113.db2.gz LXBOHJHSJUUFAG-COVNITIESA-N 0 3 331.372 1.921 20 10 EDCDHN CC[C@@H](O)CCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899101803 591682573 /nfs/dbraw/zinc/68/25/73/591682573.db2.gz MNSLFANLTONRDB-SJORKVTESA-N 0 3 336.480 1.816 20 10 EDCDHN C[C@@H](O)CCN(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899103866 591683694 /nfs/dbraw/zinc/68/36/94/591683694.db2.gz OHUAVHDWACFRDL-RHSMWYFYSA-N 0 3 336.480 1.768 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)N(C)[C@H]2CCOC2)N(C)C)cc1 ZINC000899103354 591683809 /nfs/dbraw/zinc/68/38/09/591683809.db2.gz ZXYRGVDRVQPOFS-DLBZAZTESA-N 0 3 334.464 1.786 20 10 EDCDHN COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCN(c3cc(=O)[n-]cn3)C2)c1 ZINC000898152547 591804474 /nfs/dbraw/zinc/80/44/74/591804474.db2.gz KMHSTTBFMLEPCP-NEPJUHHUSA-N 0 3 330.388 1.826 20 10 EDCDHN CN(C)c1ccc([C@H](CN2C(=O)N[C@@H](C3CC3)C2=O)N(C)C)cc1 ZINC000900185901 591932976 /nfs/dbraw/zinc/93/29/76/591932976.db2.gz UHJQOKPSPRFYAA-HOTGVXAUSA-N 0 3 330.432 1.686 20 10 EDCDHN CN1CCN(c2ccc(CN[C@H](C(N)=O)c3ccccc3)cc2)CC1 ZINC000905790490 592641747 /nfs/dbraw/zinc/64/17/47/592641747.db2.gz XEHGHPFLMJYJTA-IBGZPJMESA-N 0 3 338.455 1.755 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNC(=O)[C@@H]2CCc3cncn3C2)cc1 ZINC000911665152 592973570 /nfs/dbraw/zinc/97/35/70/592973570.db2.gz AKGRKTKHZNIIQB-RHSMWYFYSA-N 0 3 327.432 1.328 20 10 EDCDHN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000806042615 593182429 /nfs/dbraw/zinc/18/24/29/593182429.db2.gz SRFZXCWCFPLHSZ-ZBFHGGJFSA-N 0 3 347.459 1.730 20 10 EDCDHN COCCCNC(=O)CN[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000839540529 593337455 /nfs/dbraw/zinc/33/74/55/593337455.db2.gz AUWAJZLEPIHOLL-OAHLLOKOSA-N 0 3 335.448 1.327 20 10 EDCDHN CN1CCC[C@@]2(CCN(c3cc4c(cc3[N+](=O)[O-])OCC(=O)N4)C2)C1 ZINC000814908396 593606835 /nfs/dbraw/zinc/60/68/35/593606835.db2.gz ALUCUKSCIYPFNY-QGZVFWFLSA-N 0 3 346.387 1.848 20 10 EDCDHN Cn1ncc(CN[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)n1 ZINC000815126588 593616809 /nfs/dbraw/zinc/61/68/09/593616809.db2.gz OHBCMZBNUDMRLT-AWEZNQCLSA-N 0 3 335.839 1.928 20 10 EDCDHN COc1ccc(N2CCN(CCNC[C@H](O)C(F)(F)F)CC2)cc1 ZINC000818982386 593732221 /nfs/dbraw/zinc/73/22/21/593732221.db2.gz LNLNQQDJGNNMDJ-HNNXBMFYSA-N 0 3 347.381 1.330 20 10 EDCDHN CCN(CC)c1ccc(CNC[C@@H](O)CN2CCOCC2)cc1F ZINC000819043856 593735414 /nfs/dbraw/zinc/73/54/14/593735414.db2.gz WFCRZVCIQYHAPC-MRXNPFEDSA-N 0 3 339.455 1.455 20 10 EDCDHN CN1CCN(c2ccc(CNC[C@H]3CCCS3(=O)=O)cc2)CC1 ZINC000825025168 594118105 /nfs/dbraw/zinc/11/81/05/594118105.db2.gz ZAHOGVLZPLDROF-QGZVFWFLSA-N 0 3 337.489 1.105 20 10 EDCDHN CC(C)NC(=O)NCCN[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000828147487 594351488 /nfs/dbraw/zinc/35/14/88/594351488.db2.gz CVRVZIWUPXJJBF-HNNXBMFYSA-N 0 3 334.464 1.881 20 10 EDCDHN CC[C@@H]1[C@@H](CO)CCN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000830707483 594461031 /nfs/dbraw/zinc/46/10/31/594461031.db2.gz FTKZBKLNVGIWQB-SJLPKXTDSA-N 0 3 333.476 1.804 20 10 EDCDHN CCN1CCN(c2ccc(CNC(=O)C3(N)CCC3)cc2F)CC1 ZINC000828883900 594524063 /nfs/dbraw/zinc/52/40/63/594524063.db2.gz UQQCWVLDSNOOLL-UHFFFAOYSA-N 0 3 334.439 1.465 20 10 EDCDHN COC(=O)[C@@H]1CCC[C@@H]1NCC(=O)NCc1ccc(N(C)C)cc1 ZINC000830991431 594533368 /nfs/dbraw/zinc/53/33/68/594533368.db2.gz WMYMEONMYQRXBH-CVEARBPZSA-N 0 3 333.432 1.300 20 10 EDCDHN C[C@@H](NC1CC1)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000827469317 594675143 /nfs/dbraw/zinc/67/51/43/594675143.db2.gz URQLCQRHIYGSHY-HIFRSBDPSA-N 0 3 344.459 1.145 20 10 EDCDHN Cc1nnc2ccc(C(=O)NC[C@H](N)c3ccc(N(C)C)cc3)cn12 ZINC000832279352 594739934 /nfs/dbraw/zinc/73/99/34/594739934.db2.gz JEPAUMNBTICNCF-INIZCTEOSA-N 0 3 338.415 1.534 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNC(=O)CNC(=O)CC2CCCC2)cc1 ZINC000832279842 594739994 /nfs/dbraw/zinc/73/99/94/594739994.db2.gz LGKBCDZLBDTUHR-QGZVFWFLSA-N 0 3 346.475 1.565 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNC(=O)[C@@H]2COc3ccccc3O2)cc1 ZINC000832293587 594740813 /nfs/dbraw/zinc/74/08/13/594740813.db2.gz YEGDNYHDACVVIF-QAPCUYQASA-N 0 3 341.411 1.709 20 10 EDCDHN COC(=O)Cn1cc(CN[C@H](C)Cc2ccc(N(C)C)cc2C)nn1 ZINC000840977142 594834452 /nfs/dbraw/zinc/83/44/52/594834452.db2.gz SIWAQGUDLXIYPB-CQSZACIVSA-N 0 3 345.447 1.546 20 10 EDCDHN CNCc1ccccc1NC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000841002604 594837676 /nfs/dbraw/zinc/83/76/76/594837676.db2.gz BXEPXZNXCOYMOR-UHFFFAOYSA-N 0 3 340.427 1.727 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNC(=O)[C@@](C)(N)c2ccccc2)cc1 ZINC000841846845 594964236 /nfs/dbraw/zinc/96/42/36/594964236.db2.gz WSUNTNPGUSKHGT-MJGOQNOKSA-N 0 3 326.444 1.743 20 10 EDCDHN CN1CCC[C@@H](N2CCN(C(=O)NCCc3ccc(N)cc3)CC2)C1 ZINC000841954112 594988963 /nfs/dbraw/zinc/98/89/63/594988963.db2.gz HYZWUINGUYCIRX-GOSISDBHSA-N 0 3 345.491 1.233 20 10 EDCDHN C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCc1cc(Br)ccc1[O-] ZINC000841989598 594996661 /nfs/dbraw/zinc/99/66/61/594996661.db2.gz ZVRPVVUPEQZNFP-SKDRFNHKSA-N 0 3 342.237 1.952 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)CCC(=O)NC2CCCC2)cc1 ZINC000843296615 595065582 /nfs/dbraw/zinc/06/55/82/595065582.db2.gz BLPVLMHZZWCLRJ-KRWDZBQOSA-N 0 3 346.475 1.708 20 10 EDCDHN CN(C)c1ccc(/C=C\CN2CCC[C@H](N3CCNCC3=O)C2)cc1 ZINC000843063368 595277962 /nfs/dbraw/zinc/27/79/62/595277962.db2.gz ABDHNHMPXMQJDY-UABKOXTMSA-N 0 3 342.487 1.662 20 10 EDCDHN CC1(C)CCCN[C@@H]1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000844171806 595290946 /nfs/dbraw/zinc/29/09/46/595290946.db2.gz XTBQBOSSDLIUFS-QGZVFWFLSA-N 0 3 331.460 1.918 20 10 EDCDHN COc1cccc([O-])c1C[NH+]1CCC(c2nnc3n2CCNC3)CC1 ZINC000843118391 595291299 /nfs/dbraw/zinc/29/12/99/595291299.db2.gz HYNRFOSBSCSQRE-UHFFFAOYSA-N 0 3 343.431 1.475 20 10 EDCDHN COC[C@@H](O)C[NH2+][C@@H](C)c1cc(Br)cc(OC)c1[O-] ZINC000848548993 595404696 /nfs/dbraw/zinc/40/46/96/595404696.db2.gz NBFSUVMPKFCWMP-WPRPVWTQSA-N 0 3 334.210 1.821 20 10 EDCDHN CCc1cccc(CNCCS(=O)(=O)NCC2CCC2)c1O ZINC000848895315 595464403 /nfs/dbraw/zinc/46/44/03/595464403.db2.gz MCLGCXIDGWFACX-UHFFFAOYSA-N 0 3 326.462 1.764 20 10 EDCDHN COc1ccc(CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)c([O-])c1 ZINC000849112405 595483887 /nfs/dbraw/zinc/48/38/87/595483887.db2.gz MOILJNQZAVMTLS-UHFFFAOYSA-N 0 3 338.408 1.539 20 10 EDCDHN COc1ccc(N2CC[C@@H](N[C@@H](Cc3ccccc3)C(N)=O)C2)cc1 ZINC000849321715 595506123 /nfs/dbraw/zinc/50/61/23/595506123.db2.gz KTWRRMHEGJLMSP-APWZRJJASA-N 0 3 339.439 1.960 20 10 EDCDHN COCc1cncc(C(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)c1 ZINC000852791591 595544912 /nfs/dbraw/zinc/54/49/12/595544912.db2.gz KAKMCIAWVXICOO-QGZVFWFLSA-N 0 3 328.416 1.724 20 10 EDCDHN Cc1ccc(O)c(CNC(=O)NC[C@H](C)CN2CCN(C)CC2)c1 ZINC000858277346 595750546 /nfs/dbraw/zinc/75/05/46/595750546.db2.gz FXRJEZFBHPQUHK-HNNXBMFYSA-N 0 3 334.464 1.383 20 10 EDCDHN CC[C@H]1C[C@H](NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CO1 ZINC000850135936 595750802 /nfs/dbraw/zinc/75/08/02/595750802.db2.gz SKPOQPYPISMCBB-RDJZCZTQSA-N 0 3 338.473 1.579 20 10 EDCDHN COc1ccc(N2CCN(C(=O)CN3CC[C@H]4C[C@H]4C3)CC2)cc1 ZINC000852633649 596214370 /nfs/dbraw/zinc/21/43/70/596214370.db2.gz CBBBTONLDCKCNB-HOTGVXAUSA-N 0 3 329.444 1.686 20 10 EDCDHN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CN2CCN1CCC2 ZINC000863941802 596722504 /nfs/dbraw/zinc/72/25/04/596722504.db2.gz MHVMKSUWWHJTJZ-IBGZPJMESA-N 0 3 344.503 1.880 20 10 EDCDHN COc1ccc(CN[C@@H]2CCCN(C)C2=O)cc1Cn1cccn1 ZINC000873072163 597180772 /nfs/dbraw/zinc/18/07/72/597180772.db2.gz UXVGYJYYLVILFC-MRXNPFEDSA-N 0 3 328.416 1.650 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNC(=O)Cn2ccc(C(F)F)n2)cc1 ZINC000876507122 597224320 /nfs/dbraw/zinc/22/43/20/597224320.db2.gz VZGLDBKSQCPZCZ-CYBMUJFWSA-N 0 3 337.374 1.703 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNC(=O)c2cncc3ncn(C)c32)cc1 ZINC000876507057 597224771 /nfs/dbraw/zinc/22/47/71/597224771.db2.gz USCVBZRYIKNTJN-OAHLLOKOSA-N 0 3 338.415 1.464 20 10 EDCDHN COc1ccc(N(C)CCN(C)C(=O)c2c(CN)cnn2C)cc1 ZINC000876949481 597394068 /nfs/dbraw/zinc/39/40/68/597394068.db2.gz RYSJGIIDBUSEPX-UHFFFAOYSA-N 0 3 331.420 1.096 20 10 EDCDHN Cc1cncn1CC(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000881855019 597757463 /nfs/dbraw/zinc/75/74/63/597757463.db2.gz OFACRLUJTXSEIJ-UHFFFAOYSA-N 0 3 327.432 1.260 20 10 EDCDHN COc1cccc(C[N@H+](C)C2CCN(S(C)(=O)=O)CC2)c1[O-] ZINC000091963938 237013395 /nfs/dbraw/zinc/01/33/95/237013395.db2.gz JUNJSQVEJUGVQF-UHFFFAOYSA-N 0 3 328.434 1.257 20 10 EDCDHN COc1cccc(C[N@@H+](C)C2CCN(S(C)(=O)=O)CC2)c1[O-] ZINC000091963938 237013401 /nfs/dbraw/zinc/01/34/01/237013401.db2.gz JUNJSQVEJUGVQF-UHFFFAOYSA-N 0 3 328.434 1.257 20 10 EDCDHN Cc1cc(O)c(CN2CC[C@@H](S(=O)(=O)NC(C)C)C2)cc1C ZINC000135462025 237249329 /nfs/dbraw/zinc/24/93/29/237249329.db2.gz LGWSTMIOTLUDMB-OAHLLOKOSA-N 0 3 326.462 1.911 20 10 EDCDHN CN(C)c1ccc(CN2CCO[C@@H](CN3CCN(C)CC3)C2)cc1 ZINC000372416151 250219926 /nfs/dbraw/zinc/21/99/26/250219926.db2.gz MSHQCKXDBRRSOK-IBGZPJMESA-N 0 3 332.492 1.201 20 10 EDCDHN CCOc1cccc(C[NH2+][C@@H]2CCC(=O)N[C@@H]2[C@H]2CCCO2)c1[O-] ZINC000377716278 250291506 /nfs/dbraw/zinc/29/15/06/250291506.db2.gz BNUWMOWCTSRYHS-CPUCHLNUSA-N 0 3 334.416 1.707 20 10 EDCDHN C[C@@H]1CN(C[C@H]2CCCO2)CC[C@@H]1NC(=O)Cc1ccc(N)cc1 ZINC000378206156 250298377 /nfs/dbraw/zinc/29/83/77/250298377.db2.gz PDTIGDSWYNFDJK-OLMNPRSZSA-N 0 3 331.460 1.817 20 10 EDCDHN COc1cccc(CN2CCC(NC(=O)c3cnn(C)c3)CC2)c1O ZINC000092074453 441771534 /nfs/dbraw/zinc/77/15/34/441771534.db2.gz YXHUIWLHNOBGBM-UHFFFAOYSA-N 0 3 344.415 1.529 20 10 EDCDHN Cc1ccc([O-])c(C[N@@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)c1 ZINC000159446253 441813280 /nfs/dbraw/zinc/81/32/80/441813280.db2.gz PLHGXTRNCFWBAM-OAHLLOKOSA-N 0 3 326.462 1.994 20 10 EDCDHN Cc1ccc([O-])c(C[N@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)c1 ZINC000159446253 441813285 /nfs/dbraw/zinc/81/32/85/441813285.db2.gz PLHGXTRNCFWBAM-OAHLLOKOSA-N 0 3 326.462 1.994 20 10 EDCDHN C[C@H](N)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000165488802 442209080 /nfs/dbraw/zinc/20/90/80/442209080.db2.gz MTHLNPDGZNQVMR-JTQLQIEISA-N 0 3 331.338 1.505 20 10 EDCDHN COc1ccc(N2CCCN(C(=O)[C@@H](N)CCSC)CC2)cc1 ZINC000165752219 442210753 /nfs/dbraw/zinc/21/07/53/442210753.db2.gz RVPPAOPWKSMBMQ-INIZCTEOSA-N 0 3 337.489 1.814 20 10 EDCDHN CCN(C)c1ccc([C@H](C)NCCC(=O)N2CCN(C)CC2)cc1 ZINC000178668861 442454223 /nfs/dbraw/zinc/45/42/23/442454223.db2.gz PIISNVLSWXDEGV-INIZCTEOSA-N 0 3 332.492 1.957 20 10 EDCDHN COCCN1CC[C@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000265954150 442983286 /nfs/dbraw/zinc/98/32/86/442983286.db2.gz VESRENYUFSZWOQ-KRWDZBQOSA-N 0 3 344.459 1.583 20 10 EDCDHN CCOc1cccc(CN2CCC[C@H](CNS(C)(=O)=O)C2)c1O ZINC000269498668 443326714 /nfs/dbraw/zinc/32/67/14/443326714.db2.gz PXSNHKYFFYWDGF-CYBMUJFWSA-N 0 3 342.461 1.552 20 10 EDCDHN [O-]c1cc2c(cc1C[NH2+]C[C@H]1CCC3(CCOCC3)[C@H]1O)OCO2 ZINC000282843844 443448295 /nfs/dbraw/zinc/44/82/95/443448295.db2.gz OZDUOVJQHWXDRV-PXAZEXFGSA-N 0 3 335.400 1.778 20 10 EDCDHN CCOc1cccc(CN2CCC[C@@H](CS(N)(=O)=O)C2)c1O ZINC000271182289 443495396 /nfs/dbraw/zinc/49/53/96/443495396.db2.gz MNAZDAPMKIUIBV-GFCCVEGCSA-N 0 3 328.434 1.291 20 10 EDCDHN COC(=O)c1cn(C2CCN(Cc3cccc(OC)c3O)CC2)nn1 ZINC000273761663 443585997 /nfs/dbraw/zinc/58/59/97/443585997.db2.gz PCPFIOSYZLAIJC-UHFFFAOYSA-N 0 3 346.387 1.616 20 10 EDCDHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000283535144 443656097 /nfs/dbraw/zinc/65/60/97/443656097.db2.gz POHKPWQASCSZKP-WMLDXEAASA-N 0 3 344.459 1.064 20 10 EDCDHN COc1cccc(C[NH+]2CCC([C@H]3OCC[C@@H]3C(N)=O)CC2)c1[O-] ZINC000284644602 443783280 /nfs/dbraw/zinc/78/32/80/443783280.db2.gz WGTRPYKOURBXBY-WMLDXEAASA-N 0 3 334.416 1.503 20 10 EDCDHN C[C@@H](CN(C)C)NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000287577237 443747806 /nfs/dbraw/zinc/74/78/06/443747806.db2.gz LESOELFSVXZHHR-HNNXBMFYSA-N 0 3 348.491 1.645 20 10 EDCDHN COc1cc([O-])c(C[NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)cc1OC ZINC000284284023 443771483 /nfs/dbraw/zinc/77/14/83/443771483.db2.gz ATHTUWDNLDYQLJ-WBMJQRKESA-N 0 3 327.421 1.657 20 10 EDCDHN COCCO[C@H]1C[C@H](CO)CN(Cc2ccc(N(C)C)c(C)c2)C1 ZINC000294049954 444100074 /nfs/dbraw/zinc/10/00/74/444100074.db2.gz JHPGEPBIMVLZIG-ROUUACIJSA-N 0 3 336.476 1.907 20 10 EDCDHN COCCOC[C@H](O)C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000294956564 444161537 /nfs/dbraw/zinc/16/15/37/444161537.db2.gz MZYUFZIBODNZSO-SJORKVTESA-N 0 3 339.432 1.397 20 10 EDCDHN COCCOC[C@H](O)C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000294956564 444161540 /nfs/dbraw/zinc/16/15/40/444161540.db2.gz MZYUFZIBODNZSO-SJORKVTESA-N 0 3 339.432 1.397 20 10 EDCDHN Cn1ccc(N2CCC[C@@H]([NH2+][C@@H]3CCc4cccc([O-])c43)C2=O)n1 ZINC000296703766 444249226 /nfs/dbraw/zinc/24/92/26/444249226.db2.gz HUKRJJVEYRKCPG-ZIAGYGMSSA-N 0 3 326.400 1.898 20 10 EDCDHN CCOc1ccc([O-])c(C[NH2+]C2CCN(c3nnnn3C)CC2)c1 ZINC000363486509 445826575 /nfs/dbraw/zinc/82/65/75/445826575.db2.gz DQODDMJANRAUIZ-UHFFFAOYSA-N 0 3 332.408 1.073 20 10 EDCDHN COc1ccc(O)c(CN2CCC[C@H](c3n[nH]cc3C(N)=O)C2)c1 ZINC000364795021 445956391 /nfs/dbraw/zinc/95/63/91/445956391.db2.gz UASDETWCKPCHMR-NSHDSACASA-N 0 3 330.388 1.602 20 10 EDCDHN O=C1C[C@@H](NCc2ccc(N3CCOCC3)cc2)[C@@H]2CCCCN12 ZINC000374582397 446378271 /nfs/dbraw/zinc/37/82/71/446378271.db2.gz DDJLHHKIRPZFBL-MSOLQXFVSA-N 0 3 329.444 1.766 20 10 EDCDHN COc1cc(O)c(CN2CCN([C@H]3CCCN(C)C3)CC2)cc1OC ZINC000367221045 446525172 /nfs/dbraw/zinc/52/51/72/446525172.db2.gz BVUYTRGAPDKWLR-INIZCTEOSA-N 0 3 349.475 1.621 20 10 EDCDHN COc1cccc(C[NH2+]C[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)c1[O-] ZINC000371083965 446618373 /nfs/dbraw/zinc/61/83/73/446618373.db2.gz FJMAWXZVPNGIMT-YVEFUNNKSA-N 0 3 333.388 1.211 20 10 EDCDHN CCNC(=O)NC(=O)CN(C)C1CCN(c2ccc(OC)cc2)CC1 ZINC000375876887 447117234 /nfs/dbraw/zinc/11/72/34/447117234.db2.gz RDPNAKYGXRNWGQ-UHFFFAOYSA-N 0 3 348.447 1.442 20 10 EDCDHN COc1ccc([O-])c([C@H](C)[NH+]2CCC(N3CCN(C)CC3=O)CC2)c1 ZINC000372500340 447091924 /nfs/dbraw/zinc/09/19/24/447091924.db2.gz BRMCEKWVTOVZKV-AWEZNQCLSA-N 0 3 347.459 1.700 20 10 EDCDHN COc1ccc(O)c([C@H](C)N2CCC(N3CCN(C)CC3=O)CC2)c1 ZINC000372500340 447091932 /nfs/dbraw/zinc/09/19/32/447091932.db2.gz BRMCEKWVTOVZKV-AWEZNQCLSA-N 0 3 347.459 1.700 20 10 EDCDHN CC[C@@H](C(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1O)N(C)C ZINC000298520932 521809545 /nfs/dbraw/zinc/80/95/45/521809545.db2.gz IHHMJIFCYONUFI-ZDUSSCGKSA-N 0 3 342.823 1.887 20 10 EDCDHN Cc1cc(CNC[C@H](O)CN2CCOCC2)c(C)n1-c1ccccc1 ZINC000743759911 579490104 /nfs/dbraw/zinc/49/01/04/579490104.db2.gz WMEPBGXOXDWEIQ-FQEVSTJZSA-N 0 3 343.471 1.877 20 10 EDCDHN CN(C)c1ccc(CNC(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1 ZINC000727471880 578529475 /nfs/dbraw/zinc/52/94/75/578529475.db2.gz POYUZLVDWNJGIW-IRXDYDNUSA-N 0 3 332.448 1.415 20 10 EDCDHN CN(C)c1ccc(CNC(=O)NCCNc2ccncc2)cc1F ZINC000729604515 578584185 /nfs/dbraw/zinc/58/41/85/578584185.db2.gz BWENJXROVGQCTR-UHFFFAOYSA-N 0 3 331.395 1.620 20 10 EDCDHN C[C@H](NC(=O)NCCN(C)C1CC1)c1ccc(N2CCOCC2)cc1 ZINC000732887452 578733925 /nfs/dbraw/zinc/73/39/25/578733925.db2.gz ZWSGMVSXWZEXAU-HNNXBMFYSA-N 0 3 346.475 1.978 20 10 EDCDHN O=C(NC1CC1)N[C@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000761230443 580052376 /nfs/dbraw/zinc/05/23/76/580052376.db2.gz ZDQGDPLTLBKIIB-KRWDZBQOSA-N 0 3 344.459 1.559 20 10 EDCDHN Cc1ccc([C@@H](C)[NH2+]CCNS(=O)(=O)Cc2ccon2)c([O-])c1 ZINC000756632298 579953953 /nfs/dbraw/zinc/95/39/53/579953953.db2.gz BJEIJABOJLEUFL-GFCCVEGCSA-N 0 3 339.417 1.459 20 10 EDCDHN COc1ccc(O)c([C@H](C)N[C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)c1 ZINC000756836606 579957957 /nfs/dbraw/zinc/95/79/57/579957957.db2.gz CEFJAXYUOIMGTL-MQIPJXDCSA-N 0 3 344.415 1.979 20 10 EDCDHN CC(C)N(C)C(=O)C1CC[NH+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000768439898 580212684 /nfs/dbraw/zinc/21/26/84/580212684.db2.gz OUDFGSJTDVLDGW-QGZVFWFLSA-N 0 3 348.443 1.897 20 10 EDCDHN CC(C)CNC(=O)C1CC[NH+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000768440879 580212770 /nfs/dbraw/zinc/21/27/70/580212770.db2.gz HEYFZZWHLSSKMU-QGZVFWFLSA-N 0 3 348.443 1.802 20 10 EDCDHN CCN(C)c1ccc(CN2CC[C@@H](n3cc(C(=O)OC)nn3)C2)cc1 ZINC000773843799 580347569 /nfs/dbraw/zinc/34/75/69/580347569.db2.gz FSTNRKZJYCEMDE-MRXNPFEDSA-N 0 3 343.431 1.968 20 10 EDCDHN Cc1ccc(C(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c([O-])c1O ZINC000780991756 580539658 /nfs/dbraw/zinc/53/96/58/580539658.db2.gz MKZGPDIWMBIQSX-AEGPPILISA-N 0 3 334.416 1.730 20 10 EDCDHN COc1cc(C)cc(CN2CCC(CNS(C)(=O)=O)CC2)c1O ZINC000795669372 580933545 /nfs/dbraw/zinc/93/35/45/580933545.db2.gz FUVIBSKTNJTVEP-UHFFFAOYSA-N 0 3 342.461 1.470 20 10 EDCDHN Cn1nccc1[C@@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000800860653 581060138 /nfs/dbraw/zinc/06/01/38/581060138.db2.gz VQKRYSCQPWJQNO-SJKOYZFVSA-N 0 3 329.400 1.931 20 10 EDCDHN Cn1nccc1[C@@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000800860653 581060139 /nfs/dbraw/zinc/06/01/39/581060139.db2.gz VQKRYSCQPWJQNO-SJKOYZFVSA-N 0 3 329.400 1.931 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)CC2(O)CCOCC2)N(C)C)cc1 ZINC000891243417 591014215 /nfs/dbraw/zinc/01/42/15/591014215.db2.gz NSQOBOCMISCGBG-QGZVFWFLSA-N 0 3 349.475 1.403 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)Cc2cncn2C)N(C)C)cc1 ZINC000891249636 591018966 /nfs/dbraw/zinc/01/89/66/591018966.db2.gz VHARGEIPIZUMTP-QGZVFWFLSA-N 0 3 329.448 1.448 20 10 EDCDHN C[C@@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)n1cccn1 ZINC000891252153 591019558 /nfs/dbraw/zinc/01/95/58/591019558.db2.gz HGCIDWJNAVQWJY-YOEHRIQHSA-N 0 3 329.448 1.929 20 10 EDCDHN Cc1c(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)nnn1C ZINC000891252417 591020294 /nfs/dbraw/zinc/02/02/94/591020294.db2.gz KUQIHHRJCPHCHD-OAHLLOKOSA-N 0 3 330.436 1.222 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)CCn2cncn2)N(C)C)cc1 ZINC000891256277 591022264 /nfs/dbraw/zinc/02/22/64/591022264.db2.gz WWQRZSXVHWNFAO-MRXNPFEDSA-N 0 3 330.436 1.153 20 10 EDCDHN COc1ccc(C[NH2+][C@H]2CCCN(c3ncccn3)C2)c([O-])c1OC ZINC000892609868 591094036 /nfs/dbraw/zinc/09/40/36/591094036.db2.gz CJWALISQADIASY-AWEZNQCLSA-N 0 3 344.415 1.958 20 10 EDCDHN Cc1cccc(C[NH2+][C@@H]2CCCN(CCN3CCOCC3)C2)c1[O-] ZINC000895688752 591249926 /nfs/dbraw/zinc/24/99/26/591249926.db2.gz YHLDMGBOKLBQLZ-GOSISDBHSA-N 0 3 333.476 1.587 20 10 EDCDHN COc1cc(C)cc(CNC[C@@](C)(O)C(=O)OC(C)(C)C)c1O ZINC000894469386 591320744 /nfs/dbraw/zinc/32/07/44/591320744.db2.gz NEKMPBREQFHGFJ-QGZVFWFLSA-N 0 3 325.405 1.892 20 10 EDCDHN COc1ccc(O)c([C@@H](C)NC(=O)C2CN(C3CCOCC3)C2)c1 ZINC000896162692 591366317 /nfs/dbraw/zinc/36/63/17/591366317.db2.gz GOIRFYGNCJPKDO-GFCCVEGCSA-N 0 3 334.416 1.689 20 10 EDCDHN CO[C@@H]1CCN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000899101929 591682830 /nfs/dbraw/zinc/68/28/30/591682830.db2.gz NHEMAQKSMMOXDI-IAGOWNOFSA-N 0 3 334.464 1.786 20 10 EDCDHN CCOC(=O)N1C[C@H]([NH2+]Cc2cc(OCC)ccc2[O-])[C@@H](CO)C1 ZINC000898359173 591889868 /nfs/dbraw/zinc/88/98/68/591889868.db2.gz MKIAJUVEXRNLPU-HIFRSBDPSA-N 0 3 338.404 1.330 20 10 EDCDHN CCOC(=O)N1C[C@H](NCc2cc(OCC)ccc2O)[C@@H](CO)C1 ZINC000898359173 591889873 /nfs/dbraw/zinc/88/98/73/591889873.db2.gz MKIAJUVEXRNLPU-HIFRSBDPSA-N 0 3 338.404 1.330 20 10 EDCDHN Cc1nsc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)n1 ZINC000903044646 592113236 /nfs/dbraw/zinc/11/32/36/592113236.db2.gz CNCUKGUGRRIJGJ-CQSZACIVSA-N 0 3 333.461 1.945 20 10 EDCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@]2(CO)COCCN2C)c1[O-] ZINC000903281294 592151503 /nfs/dbraw/zinc/15/15/03/592151503.db2.gz XLMGIZUYAVIJMP-MLGOLLRUSA-N 0 3 328.840 1.698 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNC(=O)[C@H]2CCc3cncn3C2)cc1 ZINC000911665154 592973475 /nfs/dbraw/zinc/97/34/75/592973475.db2.gz AKGRKTKHZNIIQB-WMLDXEAASA-N 0 3 327.432 1.328 20 10 EDCDHN CN(C)c1ccc(CNC(=O)CN2CCC[C@@H]3COCC[C@@H]32)cc1 ZINC000839502756 593311790 /nfs/dbraw/zinc/31/17/90/593311790.db2.gz KVGTVTXRGBKORQ-AEFFLSMTSA-N 0 3 331.460 1.870 20 10 EDCDHN CON(C)C(=O)C1CC[NH+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000812293698 593494761 /nfs/dbraw/zinc/49/47/61/593494761.db2.gz XDEBUXKDLWKMDA-HNNXBMFYSA-N 0 3 336.388 1.050 20 10 EDCDHN COCC[C@H]1COCCN1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000812787028 593509295 /nfs/dbraw/zinc/50/92/95/593509295.db2.gz ZLSPPCSIRQFXBT-IBGZPJMESA-N 0 3 333.476 1.676 20 10 EDCDHN CN1CCN(c2ccc(CN3CCC[C@H](n4ccnn4)C3)cc2)CC1 ZINC000822503362 594058976 /nfs/dbraw/zinc/05/89/76/594058976.db2.gz GXKIPGYDSYACQI-IBGZPJMESA-N 0 3 340.475 1.867 20 10 EDCDHN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(N)C(F)(F)F ZINC000826030988 594310538 /nfs/dbraw/zinc/31/05/38/594310538.db2.gz ZTHBPLMMDDHBKL-ZDUSSCGKSA-N 0 3 331.338 1.371 20 10 EDCDHN O=C(CNC[C@H]1CCCO1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000829002582 594546665 /nfs/dbraw/zinc/54/66/65/594546665.db2.gz CCWBURCPEPYYBT-IAGOWNOFSA-N 0 3 348.443 1.668 20 10 EDCDHN COc1ccc(N2CCN(C(=O)C(N)C(F)(F)F)CC2)cc1F ZINC000831147213 594568633 /nfs/dbraw/zinc/56/86/33/594568633.db2.gz WJHQRQUKZYZYCZ-LBPRGKRZSA-N 0 3 335.301 1.373 20 10 EDCDHN O=C(NCc1ccc(N2CCN(CC3CC3)CC2)cc1)c1ncc[nH]1 ZINC000831560673 594683413 /nfs/dbraw/zinc/68/34/13/594683413.db2.gz DYJIYAAGLDCHHO-UHFFFAOYSA-N 0 3 339.443 1.872 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNC(=O)[C@H]2CCc3ncncc3C2)cc1 ZINC000843297751 595066264 /nfs/dbraw/zinc/06/62/64/595066264.db2.gz KUBLSUCOJKQADK-WMLDXEAASA-N 0 3 339.443 1.464 20 10 EDCDHN COc1cccc([C@@H](C)NCCS(=O)(=O)NC(C)(C)C)c1O ZINC000846142415 595155521 /nfs/dbraw/zinc/15/55/21/595155521.db2.gz SXMDXMBOAKZJIS-LLVKDONJSA-N 0 3 330.450 1.769 20 10 EDCDHN CCN(CCC[NH2+][C@@H](C)c1cccc(OC)c1[O-])S(C)(=O)=O ZINC000846144385 595155546 /nfs/dbraw/zinc/15/55/46/595155546.db2.gz MAWPGGSIKZYHBG-LBPRGKRZSA-N 0 3 330.450 1.723 20 10 EDCDHN COc1cccc([C@@H](C)[NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)c1[O-] ZINC000846173653 595164763 /nfs/dbraw/zinc/16/47/63/595164763.db2.gz UNSHBSQDLOURHY-OLZOCXBDSA-N 0 3 342.461 1.866 20 10 EDCDHN COc1cccc([C@H](C)[NH2+]CCCCn2cc(C(N)=O)nn2)c1[O-] ZINC000846175474 595165341 /nfs/dbraw/zinc/16/53/41/595165341.db2.gz ZYMGBQIXWUEHHC-NSHDSACASA-N 0 3 333.392 1.222 20 10 EDCDHN COc1cccc(CNC[C@@H]2CS(=O)(=O)c3ccccc3O2)c1O ZINC000842721957 595180459 /nfs/dbraw/zinc/18/04/59/595180459.db2.gz NCOACALKKQAIDZ-CYBMUJFWSA-N 0 3 349.408 1.725 20 10 EDCDHN COc1cc(Br)cc(CN2CCO[C@@H](C[NH3+])C2)c1[O-] ZINC000843069540 595280166 /nfs/dbraw/zinc/28/01/66/595280166.db2.gz RGSNMLJWASMECA-NSHDSACASA-N 0 3 331.210 1.323 20 10 EDCDHN CN(C)c1ccc(CN2CCC(c3nnc4n3CCNC4)CC2)cc1 ZINC000843118359 595291097 /nfs/dbraw/zinc/29/10/97/595291097.db2.gz GOJLVXJDVCJKGX-UHFFFAOYSA-N 0 3 340.475 1.827 20 10 EDCDHN C[C@@H]1CCN[C@H](C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1 ZINC000844173755 595291269 /nfs/dbraw/zinc/29/12/69/595291269.db2.gz UUQKKHKZQJBVCQ-DYVFJYSZSA-N 0 3 349.450 1.791 20 10 EDCDHN COc1cc(O)c(CN2CCNC[C@H]2c2nccn2C)cc1OC ZINC000843122711 595292548 /nfs/dbraw/zinc/29/25/48/595292548.db2.gz SWMRFMUTNJQXCN-ZDUSSCGKSA-N 0 3 332.404 1.289 20 10 EDCDHN O=S1(=O)CCC[C@@H](NCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000850565630 595535919 /nfs/dbraw/zinc/53/59/19/595535919.db2.gz GZTCFVWOQYEOIU-OAHLLOKOSA-N 0 3 338.473 1.315 20 10 EDCDHN COc1cc(CNCC(=O)N2CCOCC2)c(O)c(C(C)(C)C)c1 ZINC000850239772 595784044 /nfs/dbraw/zinc/78/40/44/595784044.db2.gz VNLSWVZGEFPUDX-UHFFFAOYSA-N 0 3 336.432 1.647 20 10 EDCDHN O=S(=O)(CCNCc1cc2c(cc1O)OCO2)CC(F)(F)F ZINC000850364260 595820135 /nfs/dbraw/zinc/82/01/35/595820135.db2.gz XATGCDIGUIRBSU-UHFFFAOYSA-N 0 3 341.307 1.188 20 10 EDCDHN C[C@H](Cn1cncn1)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000850427281 595832039 /nfs/dbraw/zinc/83/20/39/595832039.db2.gz QOBNFISFFPIBMY-OAHLLOKOSA-N 0 3 329.448 1.665 20 10 EDCDHN CCN(CC)c1ccc(CN(C)CCN2C(=O)CN(C)C2=O)cc1 ZINC000851716658 595895214 /nfs/dbraw/zinc/89/52/14/595895214.db2.gz OYWIVASFTDPTOO-UHFFFAOYSA-N 0 3 332.448 1.859 20 10 EDCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@](O)(C(N)=O)c1ccccc1 ZINC000851792331 595925637 /nfs/dbraw/zinc/92/56/37/595925637.db2.gz NZSUYTTZSUZKGE-IBGZPJMESA-N 0 3 328.412 1.977 20 10 EDCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@](O)(C(N)=O)c1ccccc1 ZINC000851792331 595925638 /nfs/dbraw/zinc/92/56/38/595925638.db2.gz NZSUYTTZSUZKGE-IBGZPJMESA-N 0 3 328.412 1.977 20 10 EDCDHN CCOC(=O)C[C@H](O)C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000859190412 595999522 /nfs/dbraw/zinc/99/95/22/595999522.db2.gz JXULWYOIPXFTBA-JKSUJKDBSA-N 0 3 337.416 1.687 20 10 EDCDHN CCOC(=O)C[C@H](O)C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000859190412 595999524 /nfs/dbraw/zinc/99/95/24/595999524.db2.gz JXULWYOIPXFTBA-JKSUJKDBSA-N 0 3 337.416 1.687 20 10 EDCDHN CN1CCC[C@@H]1[C@H]1COCCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000854642374 596145934 /nfs/dbraw/zinc/14/59/34/596145934.db2.gz LEOLDMROUBRLNM-IPKOWEFYSA-N 0 3 332.400 1.433 20 10 EDCDHN CCOC[C@@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2)CCO1 ZINC000862502421 596338841 /nfs/dbraw/zinc/33/88/41/596338841.db2.gz MDMKVBBJRBTJBK-IBGZPJMESA-N 0 3 333.476 1.676 20 10 EDCDHN CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2c([O-])cccc2OC)C1 ZINC000862552352 596345302 /nfs/dbraw/zinc/34/53/02/596345302.db2.gz WXFYIYFGQMPTLS-GFCCVEGCSA-N 0 3 328.434 1.162 20 10 EDCDHN CNS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2OC)C1 ZINC000862552352 596345305 /nfs/dbraw/zinc/34/53/05/596345305.db2.gz WXFYIYFGQMPTLS-GFCCVEGCSA-N 0 3 328.434 1.162 20 10 EDCDHN O=C(NC1CCN([C@H]2CCOC2)CC1)N1Cc2cccc(O)c2C1 ZINC000875747425 596971725 /nfs/dbraw/zinc/97/17/25/596971725.db2.gz JOFAAQSTMICEPH-HNNXBMFYSA-N 0 3 331.416 1.671 20 10 EDCDHN COc1ccc(CNC2(CO)CCOCC2)cc1Cn1cccn1 ZINC000873052467 597172467 /nfs/dbraw/zinc/17/24/67/597172467.db2.gz PSHCBWYOZVNTRI-UHFFFAOYSA-N 0 3 331.416 1.571 20 10 EDCDHN COCCN(Cc1ccc(N2CCC(O)CC2)cc1)[C@@H]1CCOC1 ZINC000877482960 597523302 /nfs/dbraw/zinc/52/33/02/597523302.db2.gz OOASYFXQUIJPPS-GOSISDBHSA-N 0 3 334.460 1.885 20 10 EDCDHN Cc1ccc(C[NH2+]C[C@H]2CCCC[C@@H]2NS(C)(=O)=O)c([O-])c1 ZINC000877517762 597529555 /nfs/dbraw/zinc/52/95/55/597529555.db2.gz PGWFJJRUCRHXPB-HIFRSBDPSA-N 0 3 326.462 1.898 20 10 EDCDHN C[C@@H]([NH2+]CC(=O)NCC(C)(C)N1CCOCC1)c1ccccc1[O-] ZINC000879647597 597674019 /nfs/dbraw/zinc/67/40/19/597674019.db2.gz FUWIITKXPJLOMX-CQSZACIVSA-N 0 3 335.448 1.270 20 10 EDCDHN COC[C@H](O)CN[C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000129604084 597949143 /nfs/dbraw/zinc/94/91/43/597949143.db2.gz OJGGSNYIINFFGF-TZMCWYRMSA-N 0 3 328.840 1.835 20 10 EDCDHN CN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@@H]1CCN(CCCO)C1 ZINC001033698961 708546680 /nfs/dbraw/zinc/54/66/80/708546680.db2.gz GWIUOKMSDXCBPD-CQSZACIVSA-N 0 3 333.392 1.378 20 10 EDCDHN CCC[N@H+](CC)CCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000266962108 249354572 /nfs/dbraw/zinc/35/45/72/249354572.db2.gz XWLKMYKLKOEJHX-UHFFFAOYSA-N 0 3 343.449 1.225 20 10 EDCDHN CCC[N@@H+](CC)CCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000266962108 249354575 /nfs/dbraw/zinc/35/45/75/249354575.db2.gz XWLKMYKLKOEJHX-UHFFFAOYSA-N 0 3 343.449 1.225 20 10 EDCDHN CC[C@@H](NC[C@@]1(O)CCS(=O)(=O)C1)c1ccc(N(C)C)cc1 ZINC000296575548 249754161 /nfs/dbraw/zinc/75/41/61/249754161.db2.gz TZIICOFGFFNZHY-CVEARBPZSA-N 0 3 326.462 1.343 20 10 EDCDHN COc1c([O-])c(C[NH2+]C[C@H]2CN3CCC[C@@H]3CO2)ccc1[N+](=O)[O-] ZINC000365492172 250187532 /nfs/dbraw/zinc/18/75/32/250187532.db2.gz LYPCFMHCAAJFEL-OLZOCXBDSA-N 0 3 337.376 1.262 20 10 EDCDHN COC(=O)CN1CCCN(Cc2cc(OC)c(OC)cc2O)CC1 ZINC000374989591 250276687 /nfs/dbraw/zinc/27/66/87/250276687.db2.gz QNAPYUVMCOLYDX-UHFFFAOYSA-N 0 3 338.404 1.090 20 10 EDCDHN CCCN(Cc1ccccc1O)[C@@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000076073996 441594404 /nfs/dbraw/zinc/59/44/04/441594404.db2.gz DFGVEVQWLPAQRW-AWEZNQCLSA-N 0 3 347.459 1.730 20 10 EDCDHN C[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)Cc1ccccc1[O-] ZINC000177065231 442293473 /nfs/dbraw/zinc/29/34/73/442293473.db2.gz UEZMCWRFYDIZGI-UHFFFAOYSA-N 0 3 333.310 1.602 20 10 EDCDHN C[N@@H+](CCC(=O)NC(=O)NCC(F)(F)F)Cc1ccccc1[O-] ZINC000177065231 442293477 /nfs/dbraw/zinc/29/34/77/442293477.db2.gz UEZMCWRFYDIZGI-UHFFFAOYSA-N 0 3 333.310 1.602 20 10 EDCDHN CCOc1cccc(C[NH+]2CCC(C(=O)N3CCOCC3)CC2)c1[O-] ZINC000179689667 442489852 /nfs/dbraw/zinc/48/98/52/442489852.db2.gz IGBKEQFCJTVZRO-UHFFFAOYSA-N 0 3 348.443 1.862 20 10 EDCDHN O=S(=O)(CCO)c1ccc(C[NH2+]Cc2cc(F)ccc2[O-])cc1 ZINC000191836736 442519910 /nfs/dbraw/zinc/51/99/10/442519910.db2.gz UZVRICCQVDMEIO-UHFFFAOYSA-N 0 3 339.388 1.587 20 10 EDCDHN COc1ccc(O)c([C@@H](C)N[C@H]2CCN(c3cnn(C)c3)C2=O)c1 ZINC000182391093 442762916 /nfs/dbraw/zinc/76/29/16/442762916.db2.gz VFRCJTOCMQFQBF-ABAIWWIYSA-N 0 3 330.388 1.590 20 10 EDCDHN CN(C)[C@@H]1CCN(C(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000263988688 443243686 /nfs/dbraw/zinc/24/36/86/443243686.db2.gz HCMXGDTXGYTAAP-QGZVFWFLSA-N 0 3 332.448 1.369 20 10 EDCDHN C[C@@H](CNC(=O)N(C)Cc1ccccc1O)CN1CCN(C)CC1 ZINC000266803269 443247847 /nfs/dbraw/zinc/24/78/47/443247847.db2.gz OGIWQHDMXWIWLA-HNNXBMFYSA-N 0 3 334.464 1.417 20 10 EDCDHN C[C@@H]1CN(CCN(C)Cc2ccc(N3CCOCC3)cc2)CCO1 ZINC000282823404 443443289 /nfs/dbraw/zinc/44/32/89/443443289.db2.gz YTLVRRXESWEHSP-QGZVFWFLSA-N 0 3 333.476 1.676 20 10 EDCDHN COc1ccc(N2CCN(CCN[C@H](C)c3ccnn3C)CC2)cc1 ZINC000278858159 443464094 /nfs/dbraw/zinc/46/40/94/443464094.db2.gz WCDOUOMHFWSRBY-MRXNPFEDSA-N 0 3 343.475 1.902 20 10 EDCDHN CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1cc3c(cc1[O-])OCO3)CC2 ZINC000271197960 443494709 /nfs/dbraw/zinc/49/47/09/443494709.db2.gz OKRVAYFFPLCTQD-DLBZAZTESA-N 0 3 335.400 1.873 20 10 EDCDHN CCO[C@@H]1C[C@H](O)C12CCN(Cc1cc3c(cc1O)OCO3)CC2 ZINC000271197960 443494712 /nfs/dbraw/zinc/49/47/12/443494712.db2.gz OKRVAYFFPLCTQD-DLBZAZTESA-N 0 3 335.400 1.873 20 10 EDCDHN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](C)CN2CCN(C)CC2)c1 ZINC000273601740 443582539 /nfs/dbraw/zinc/58/25/39/443582539.db2.gz SBIHIKNBDDNJPS-HUUCEWRRSA-N 0 3 349.475 1.713 20 10 EDCDHN OCc1cn([C@@H]2CCCN(Cc3cc4c(cc3O)OCO4)C2)nn1 ZINC000293558102 444054034 /nfs/dbraw/zinc/05/40/34/444054034.db2.gz FUDHWXSJALORLQ-CYBMUJFWSA-N 0 3 332.360 1.042 20 10 EDCDHN COc1cccc(C[N@@H+]2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)c1[O-] ZINC000289268533 444091800 /nfs/dbraw/zinc/09/18/00/444091800.db2.gz GCMZEYPWYGXIJY-PXAZEXFGSA-N 0 3 333.388 1.353 20 10 EDCDHN COc1cccc(C[N@H+]2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)c1[O-] ZINC000289268533 444091802 /nfs/dbraw/zinc/09/18/02/444091802.db2.gz GCMZEYPWYGXIJY-PXAZEXFGSA-N 0 3 333.388 1.353 20 10 EDCDHN O=C(/C=C/c1ccc(O)c(O)c1)NC1CCN([C@@H]2CCOC2)CC1 ZINC000364976217 445971681 /nfs/dbraw/zinc/97/16/81/445971681.db2.gz FFOWADAODLXDRR-TXTHVTMNSA-N 0 3 332.400 1.481 20 10 EDCDHN Nc1nccc([C@H]2CCC[N@H+](Cc3cc4c(cc3[O-])OCO4)C2)n1 ZINC000368045811 446623576 /nfs/dbraw/zinc/62/35/76/446623576.db2.gz WTHLRDULMHTTAF-NSHDSACASA-N 0 3 328.372 1.873 20 10 EDCDHN Nc1nccc([C@H]2CCC[N@@H+](Cc3cc4c(cc3[O-])OCO4)C2)n1 ZINC000368045811 446623582 /nfs/dbraw/zinc/62/35/82/446623582.db2.gz WTHLRDULMHTTAF-NSHDSACASA-N 0 3 328.372 1.873 20 10 EDCDHN Nc1nccc([C@H]2CCCN(Cc3cc4c(cc3O)OCO4)C2)n1 ZINC000368045811 446623587 /nfs/dbraw/zinc/62/35/87/446623587.db2.gz WTHLRDULMHTTAF-NSHDSACASA-N 0 3 328.372 1.873 20 10 EDCDHN [O-]c1cc2c(cc1C[NH2+][C@H]([C@H]1CCCO1)C1(CO)CCC1)OCO2 ZINC000368225536 446721302 /nfs/dbraw/zinc/72/13/02/446721302.db2.gz IFFYOOXFTYKNSH-RHSMWYFYSA-N 0 3 335.400 1.921 20 10 EDCDHN COc1cc([O-])c(C[NH2+][C@]2(CO)COc3ccccc3C2)cc1OC ZINC000529645949 448917677 /nfs/dbraw/zinc/91/76/77/448917677.db2.gz XGFKAGFJVPGZHM-LJQANCHMSA-N 0 3 345.395 1.865 20 10 EDCDHN COc1cc(O)c(CN[C@]2(CO)COc3ccccc3C2)cc1OC ZINC000529645949 448917686 /nfs/dbraw/zinc/91/76/86/448917686.db2.gz XGFKAGFJVPGZHM-LJQANCHMSA-N 0 3 345.395 1.865 20 10 EDCDHN CC[C@H](O)[C@H]1CCCCN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000299345605 522824589 /nfs/dbraw/zinc/82/45/89/522824589.db2.gz QPTUZOHQEHEFFH-MSOLQXFVSA-N 0 3 333.476 1.994 20 10 EDCDHN Cc1cc(CNC[C@@H](O)CN2CCOCC2)c(C)n1-c1ccccc1 ZINC000743759915 579490135 /nfs/dbraw/zinc/49/01/35/579490135.db2.gz WMEPBGXOXDWEIQ-HXUWFJFHSA-N 0 3 343.471 1.877 20 10 EDCDHN O=C(NCC[NH2+]Cc1cc2c(cc1[O-])OCO2)c1ccc(F)cc1 ZINC000725846674 578288645 /nfs/dbraw/zinc/28/86/45/578288645.db2.gz ORBQPGWGCIIXJI-UHFFFAOYSA-N 0 3 332.331 1.780 20 10 EDCDHN COCCN(C)CCCNC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000729047913 578557223 /nfs/dbraw/zinc/55/72/23/578557223.db2.gz QQTPOQPVTFFVQK-CYBMUJFWSA-N 0 3 339.436 1.729 20 10 EDCDHN C[C@@H](NC[C@@H](O)C[NH+](C)C)c1cc(Br)c(F)cc1[O-] ZINC000756557946 579060679 /nfs/dbraw/zinc/06/06/79/579060679.db2.gz YOOQABPQHJLUPF-RKDXNWHRSA-N 0 3 335.217 1.867 20 10 EDCDHN CO[C@H](C)[C@@H](C)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765979199 580155711 /nfs/dbraw/zinc/15/57/11/580155711.db2.gz JFLFQXFDVBEWQA-ZIAGYGMSSA-N 0 3 326.462 1.434 20 10 EDCDHN NC(=O)[C@@H]1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000768138819 580207750 /nfs/dbraw/zinc/20/77/50/580207750.db2.gz UUARQFSLZBBBHD-CQSZACIVSA-N 0 3 332.404 1.892 20 10 EDCDHN Cc1noc(C2CC[NH+](Cc3cc4c(cc3[O-])OC[C@@H]4O)CC2)n1 ZINC000768441531 580212781 /nfs/dbraw/zinc/21/27/81/580212781.db2.gz ZWDYZONXGODYSK-HNNXBMFYSA-N 0 3 331.372 1.889 20 10 EDCDHN COc1cc(CN2CCC(N(C)S(C)(=O)=O)CC2)c(O)cc1C ZINC000768445723 580213143 /nfs/dbraw/zinc/21/31/43/580213143.db2.gz UBGLSAWALXGZNO-UHFFFAOYSA-N 0 3 342.461 1.565 20 10 EDCDHN CN(Cc1ccc(N2CCN(C)CC2)cc1)[C@H]1CCCCNC1=O ZINC000775667317 580396738 /nfs/dbraw/zinc/39/67/38/580396738.db2.gz IPOQDDVVYKPBHK-SFHVURJKSA-N 0 3 330.476 1.539 20 10 EDCDHN C[C@@H](N[C@@H](C)C(=O)N1CCC(C(N)=O)CC1)c1ccc(N(C)C)cc1 ZINC000775833477 580402226 /nfs/dbraw/zinc/40/22/26/580402226.db2.gz JTGJLTVUPZMPGA-KGLIPLIRSA-N 0 3 346.475 1.516 20 10 EDCDHN COc1ccc(O)c([C@@H](C)NCC(=O)NCC(=O)OC(C)(C)C)c1 ZINC000784266516 580616907 /nfs/dbraw/zinc/61/69/07/580616907.db2.gz SJLWWOITCQJUQA-LLVKDONJSA-N 0 3 338.404 1.509 20 10 EDCDHN O=S1(=O)CCCC[C@@H]1CNCc1ccc(N2CCOCC2)cc1 ZINC000784620716 580625213 /nfs/dbraw/zinc/62/52/13/580625213.db2.gz JFWMMGHROLHYJE-QGZVFWFLSA-N 0 3 338.473 1.580 20 10 EDCDHN CCn1cccc(CNCc2ccc(N3CCOCC3)cc2)c1=O ZINC000788524801 580723511 /nfs/dbraw/zinc/72/35/11/580723511.db2.gz VBNBODVTYBFPNP-UHFFFAOYSA-N 0 3 327.428 1.995 20 10 EDCDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@@]1(CC)CCOC1)cc2=O ZINC000792419526 580819651 /nfs/dbraw/zinc/81/96/51/580819651.db2.gz QESIBBGDMPLNPJ-INIZCTEOSA-N 0 3 334.376 1.270 20 10 EDCDHN CS(=O)(=O)NCC1CC[NH+](Cc2cc3c(cc2[O-])CCC3)CC1 ZINC000795679518 580933799 /nfs/dbraw/zinc/93/37/99/580933799.db2.gz VMMSSAPVXZAFIJ-UHFFFAOYSA-N 0 3 338.473 1.642 20 10 EDCDHN CS(=O)(=O)NCC1CCN(Cc2cc3c(cc2O)CCC3)CC1 ZINC000795679518 580933800 /nfs/dbraw/zinc/93/38/00/580933800.db2.gz VMMSSAPVXZAFIJ-UHFFFAOYSA-N 0 3 338.473 1.642 20 10 EDCDHN C[C@@H]1CN(Cc2cc3c(cc2O)OC[C@H]3O)C[C@]2(CCO[C@H](C)C2)O1 ZINC000797418372 580975238 /nfs/dbraw/zinc/97/52/38/580975238.db2.gz RZZCQGYPNKNSDE-FYMGVEODSA-N 0 3 349.427 1.976 20 10 EDCDHN CCOc1cccc(C[NH2+][C@H]2CCC[C@H]2CNS(C)(=O)=O)c1[O-] ZINC000800309044 581050212 /nfs/dbraw/zinc/05/02/12/581050212.db2.gz BVEPTMGIQIXFEB-JSGCOSHPSA-N 0 3 342.461 1.598 20 10 EDCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H](CN3CCOCC3)C1)[C@@H](O)CO2 ZINC000800854635 581059854 /nfs/dbraw/zinc/05/98/54/581059854.db2.gz NTNVDYOLXZAOFA-KDOFPFPSSA-N 0 3 348.443 1.362 20 10 EDCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H](CN3CCOCC3)C1)[C@@H](O)CO2 ZINC000800854635 581059855 /nfs/dbraw/zinc/05/98/55/581059855.db2.gz NTNVDYOLXZAOFA-KDOFPFPSSA-N 0 3 348.443 1.362 20 10 EDCDHN C[C@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)[C@@H]1CCC(=O)N1 ZINC000891248428 591017119 /nfs/dbraw/zinc/01/71/19/591017119.db2.gz MMZBJHUKTAULDW-RRQGHBQHSA-N 0 3 346.475 1.386 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)c2coc(C(N)=O)c2)N(C)C)cc1 ZINC000891250025 591018487 /nfs/dbraw/zinc/01/84/87/591018487.db2.gz XYKBGMCOCMDGBJ-OAHLLOKOSA-N 0 3 344.415 1.477 20 10 EDCDHN COc1cnc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)nc1 ZINC000891250562 591018858 /nfs/dbraw/zinc/01/88/58/591018858.db2.gz WYRKYXAYXNRAFV-INIZCTEOSA-N 0 3 343.431 1.584 20 10 EDCDHN COc1ccc(C[NH2+]C[C@@H](O)COc2ccccc2)c([O-])c1OC ZINC000892521942 591057750 /nfs/dbraw/zinc/05/77/50/591057750.db2.gz JZYBOUOAYMGTOR-CQSZACIVSA-N 0 3 333.384 1.939 20 10 EDCDHN C[C@H](NC1CC(S(C)(=O)=O)C1)c1ccc(N2CCOCC2)cc1 ZINC000892729014 591151715 /nfs/dbraw/zinc/15/17/15/591151715.db2.gz IICBZNSYWSMKFP-KTAKPFMOSA-N 0 3 338.473 1.749 20 10 EDCDHN COc1cc(Cl)cc(C[NH2+][C@H]2C(=O)NCC23CCOCC3)c1[O-] ZINC000895773042 591270879 /nfs/dbraw/zinc/27/08/79/591270879.db2.gz XVEPFJUKKATICV-AWEZNQCLSA-N 0 3 340.807 1.439 20 10 EDCDHN Cc1nonc1CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000896323970 591418590 /nfs/dbraw/zinc/41/85/90/591418590.db2.gz WETZSXNIZAXTEK-MRXNPFEDSA-N 0 3 346.435 1.546 20 10 EDCDHN COc1ccc(C[NH2+]CC2(CS(C)(=O)=O)CCC2)c([O-])c1OC ZINC000894936820 591488114 /nfs/dbraw/zinc/48/81/14/591488114.db2.gz JWGSPPVHPIKPRF-UHFFFAOYSA-N 0 3 343.445 1.714 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)N2CC3(C2)CCCO3)N(C)C)cc1 ZINC000899098023 591688469 /nfs/dbraw/zinc/68/84/69/591688469.db2.gz KNMBWRQZDLMXKY-KRWDZBQOSA-N 0 3 346.475 1.930 20 10 EDCDHN CC(C)[C@@H](O)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899100598 591689766 /nfs/dbraw/zinc/68/97/66/591689766.db2.gz AWXSDMJTNLYHLE-IRXDYDNUSA-N 0 3 336.480 1.671 20 10 EDCDHN CCOC(=O)[C@H]1CCN(Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000896961029 591698431 /nfs/dbraw/zinc/69/84/31/591698431.db2.gz RAVPTCLOEHDIOV-KRWDZBQOSA-N 0 3 331.460 1.823 20 10 EDCDHN O=C1N(CC[NH2+]Cc2cc3c(cc2[O-])OCO3)C[C@H]2CCCCN12 ZINC000895345123 591722883 /nfs/dbraw/zinc/72/28/83/591722883.db2.gz XTBQLQASWQYQIG-CYBMUJFWSA-N 0 3 333.388 1.501 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)C(=O)OC(C)(C)C)N(C)C)cc1 ZINC000903046149 592113466 /nfs/dbraw/zinc/11/34/66/592113466.db2.gz PQKJKSUFGLHUBY-OAHLLOKOSA-N 0 3 335.448 1.813 20 10 EDCDHN C[C@](O)(CNCc1ccc(N2CCS(=O)(=O)CC2)cc1)C(F)F ZINC000905961947 592702222 /nfs/dbraw/zinc/70/22/22/592702222.db2.gz JXCABMMHHABKTA-HNNXBMFYSA-N 0 3 348.415 1.027 20 10 EDCDHN Cn1cc([C@@H]2CN(C)CC[C@H]2C(=O)NCc2ccc(O)cc2O)cn1 ZINC000910942926 592905268 /nfs/dbraw/zinc/90/52/68/592905268.db2.gz ISNRJFONBLNMOE-CVEARBPZSA-N 0 3 344.415 1.183 20 10 EDCDHN Cc1ncc2n1C[C@H](C(=O)NC[C@H](N)c1ccc(N(C)C)cc1)CC2 ZINC000911666086 592973561 /nfs/dbraw/zinc/97/35/61/592973561.db2.gz HBOJMCCOBVDHQW-QAPCUYQASA-N 0 3 341.459 1.636 20 10 EDCDHN Cc1nc2c(nccc2C(=O)NC[C@H](N)c2ccc(N(C)C)cc2)[nH]1 ZINC000911668278 592974640 /nfs/dbraw/zinc/97/46/40/592974640.db2.gz XPHVLZABCDMTSC-HNNXBMFYSA-N 0 3 338.415 1.762 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)C[C@@](C)(O)C(F)(F)F)cc1 ZINC000911667721 592974661 /nfs/dbraw/zinc/97/46/61/592974661.db2.gz RDDAMTINJPHZMG-GXTWGEPZSA-N 0 3 333.354 1.572 20 10 EDCDHN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H]1CCCN1CCCO ZINC000838479829 593177387 /nfs/dbraw/zinc/17/73/87/593177387.db2.gz UBQCCTKJQXDBMF-GOSISDBHSA-N 0 3 348.491 1.707 20 10 EDCDHN C[C@@H](NC(=O)C(=O)N(C)CCN(C)C1CC1)c1ccc(N(C)C)cc1 ZINC000807671784 593188983 /nfs/dbraw/zinc/18/89/83/593188983.db2.gz SSTDFFFLBAKXOD-CQSZACIVSA-N 0 3 346.475 1.482 20 10 EDCDHN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839600375 593347529 /nfs/dbraw/zinc/34/75/29/593347529.db2.gz BCUIUQGZPRTFOU-WLWDNUHBSA-N 0 3 343.471 1.724 20 10 EDCDHN COc1cc([O-])c(C[NH2+][C@@H](C2CC2)[C@]2(CO)CCCO2)cc1OC ZINC000816667467 593538232 /nfs/dbraw/zinc/53/82/32/593538232.db2.gz NVAHDDNEYNLPLA-ZWKOTPCHSA-N 0 3 337.416 1.819 20 10 EDCDHN NC(=O)[C@H]1CCCN(c2ccc(CNC[C@@H](O)C(F)(F)F)cc2)C1 ZINC000818967877 593730946 /nfs/dbraw/zinc/73/09/46/593730946.db2.gz DMMKQLATHYASTF-GXTWGEPZSA-N 0 3 345.365 1.401 20 10 EDCDHN CN(C)C(=O)O[C@H]1CCN(Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000824576389 594041442 /nfs/dbraw/zinc/04/14/42/594041442.db2.gz LOGXUEDFHJMSGU-SFHVURJKSA-N 0 3 346.475 1.711 20 10 EDCDHN COc1ccc(N2CCN(C(=O)CN3CCCC3)CC2)c(OC)c1 ZINC000825214077 594149987 /nfs/dbraw/zinc/14/99/87/594149987.db2.gz NLVZIKNWJBQNSL-UHFFFAOYSA-N 0 3 333.432 1.448 20 10 EDCDHN O=C(CNC[C@@H]1CCCO1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000829002581 594546827 /nfs/dbraw/zinc/54/68/27/594546827.db2.gz CCWBURCPEPYYBT-DLBZAZTESA-N 0 3 348.443 1.668 20 10 EDCDHN CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc3c(c2)CNC3)cc1 ZINC000841002986 594837475 /nfs/dbraw/zinc/83/74/75/594837475.db2.gz KMYGIWJFGLMCDA-UHFFFAOYSA-N 0 3 338.411 1.611 20 10 EDCDHN C[C@H](NC(=O)N1CCN[C@H](C)[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000841741959 594946156 /nfs/dbraw/zinc/94/61/56/594946156.db2.gz UIQHXAHYLZOQHB-PMPSAXMXSA-N 0 3 346.475 1.976 20 10 EDCDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCCc1ccc(N)cc1 ZINC000842217494 595042525 /nfs/dbraw/zinc/04/25/25/595042525.db2.gz APYBAOHLHZSRNI-INIZCTEOSA-N 0 3 346.475 1.164 20 10 EDCDHN CC(=O)N1CCCC[C@H]1C(=O)NC[C@H](N)c1ccc(N(C)C)cc1 ZINC000843297334 595066037 /nfs/dbraw/zinc/06/60/37/595066037.db2.gz HLWLREBALSORJH-IRXDYDNUSA-N 0 3 332.448 1.270 20 10 EDCDHN O=C(CC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1)N1CCNCC1 ZINC000843356257 595086490 /nfs/dbraw/zinc/08/64/90/595086490.db2.gz KGMUBIUSVAUBNQ-KRWDZBQOSA-N 0 3 347.459 1.195 20 10 EDCDHN O=C(CC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1)N1CCNCC1 ZINC000843356257 595086493 /nfs/dbraw/zinc/08/64/93/595086493.db2.gz KGMUBIUSVAUBNQ-KRWDZBQOSA-N 0 3 347.459 1.195 20 10 EDCDHN COc1cccc([C@H](C)[NH2+]CC2(OCCO)CCOCC2)c1[O-] ZINC000846167668 595163600 /nfs/dbraw/zinc/16/36/00/595163600.db2.gz MKPLXUYVJQFFCH-ZDUSSCGKSA-N 0 3 325.405 1.610 20 10 EDCDHN CCN(CC1CC1)S(=O)(=O)NC[C@H](N)c1ccc(N(C)C)cc1 ZINC000842784154 595197653 /nfs/dbraw/zinc/19/76/53/595197653.db2.gz BZDGVOUTDIMTHX-INIZCTEOSA-N 0 3 340.493 1.319 20 10 EDCDHN CO[C@@H](CS(=O)(=O)NC[C@H](N)c1ccc(N(C)C)cc1)C1CC1 ZINC000842784998 595197677 /nfs/dbraw/zinc/19/76/77/595197677.db2.gz JWRXGEUHGJQUDJ-HOTGVXAUSA-N 0 3 341.477 1.097 20 10 EDCDHN COc1cccc(NCC(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)c1 ZINC000846663935 595295583 /nfs/dbraw/zinc/29/55/83/595295583.db2.gz SICFLGRSEZUZGY-GOSISDBHSA-N 0 3 342.443 1.989 20 10 EDCDHN CN(C)c1ccc([C@H](N)CNC(=O)[C@@H](N)c2ccc(F)cc2F)cc1 ZINC000852792666 595544695 /nfs/dbraw/zinc/54/46/95/595544695.db2.gz ZFIKPEZXPGESOJ-SJORKVTESA-N 0 3 348.397 1.847 20 10 EDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)[C@H](N)c2ccc(F)cc2F)cc1 ZINC000852792661 595544852 /nfs/dbraw/zinc/54/48/52/595544852.db2.gz ZFIKPEZXPGESOJ-DLBZAZTESA-N 0 3 348.397 1.847 20 10 EDCDHN COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)C[NH2+]C(C)C ZINC000852885764 595597486 /nfs/dbraw/zinc/59/74/86/595597486.db2.gz TWPJXPCHBKNJPB-UHFFFAOYSA-N 0 3 328.796 1.545 20 10 EDCDHN CCS(=O)(=O)N(C)CCCNCc1cc(F)c(N(C)C)cc1F ZINC000858097268 595699121 /nfs/dbraw/zinc/69/91/21/595699121.db2.gz GVFLHTQLTGWWRS-UHFFFAOYSA-N 0 3 349.447 1.792 20 10 EDCDHN COc1ccc(N2CC[C@H](NC(=O)C[C@@H]3CSCCN3)C2)cc1 ZINC000851640558 595864614 /nfs/dbraw/zinc/86/46/14/595864614.db2.gz YBKUIHYKFYMKLH-UONOGXRCSA-N 0 3 335.473 1.485 20 10 EDCDHN COc1ccc(N2CC[C@H](NC(=O)N3CCN4CCC3CC4)C2)cc1 ZINC000852451604 596168530 /nfs/dbraw/zinc/16/85/30/596168530.db2.gz OCVZJKPVNDIBMQ-HNNXBMFYSA-N 0 3 344.459 1.764 20 10 EDCDHN CN(C)c1ccc(CN(C)C(=O)CN2C[C@@H]3COC[C@]3(C)C2)cc1 ZINC000852533459 596191706 /nfs/dbraw/zinc/19/17/06/596191706.db2.gz ZCONSTKOOSJPIY-APWZRJJASA-N 0 3 331.460 1.679 20 10 EDCDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCOC[C@H]2O)c1[O-] ZINC000872140573 596808290 /nfs/dbraw/zinc/80/82/90/596808290.db2.gz RFHPDUYYOSWAOI-GGZOMVNGSA-N 0 3 346.221 1.964 20 10 EDCDHN CCN(CC)c1ccc(CNC[C@H](O)CC2(O)CCOCC2)cc1 ZINC000872200470 596832937 /nfs/dbraw/zinc/83/29/37/596832937.db2.gz GRMJKSZJQBTMKE-GOSISDBHSA-N 0 3 336.476 1.915 20 10 EDCDHN COc1cccc([C@@H](N)C(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)c1 ZINC000876506766 597224618 /nfs/dbraw/zinc/22/46/18/597224618.db2.gz OHRQOJPIJQEVEM-QZTJIDSGSA-N 0 3 342.443 1.577 20 10 EDCDHN Cc1ccc(O)c(CNC(=O)NC[C@H](C(C)C)N2CCN(C)CC2)c1 ZINC000875048531 597260314 /nfs/dbraw/zinc/26/03/14/597260314.db2.gz UCHKOWDXCKIARG-QGZVFWFLSA-N 0 3 348.491 1.772 20 10 EDCDHN C[C@]1(CO)CN(Cc2ccc(N3CCC(O)CC3)cc2)C[C@@]1(C)CO ZINC000877656452 597545290 /nfs/dbraw/zinc/54/52/90/597545290.db2.gz JBZJXRCEWJYBNY-BGYRXZFFSA-N 0 3 348.487 1.461 20 10 EDCDHN CN1CCN(c2ccc(CNC(=O)NCCn3ccnc3)cc2)CC1 ZINC000883068507 597638292 /nfs/dbraw/zinc/63/82/92/597638292.db2.gz XODUMXLHDCNVTF-UHFFFAOYSA-N 0 3 342.447 1.134 20 10 EDCDHN C[C@@H]([NH2+]CC(=O)NCCCN1CCCCCC1=O)c1ccccc1[O-] ZINC000879649028 597673898 /nfs/dbraw/zinc/67/38/98/597673898.db2.gz JLONGEGJHIIQNG-OAHLLOKOSA-N 0 3 347.459 1.952 20 10 EDCDHN C[C@H](CC(=O)NCc1ccc(N2CCN(C)CC2)cc1)n1ccnc1 ZINC000881853064 597755154 /nfs/dbraw/zinc/75/51/54/597755154.db2.gz ILCBEHCKGJYDSR-MRXNPFEDSA-N 0 3 341.459 1.902 20 10 EDCDHN CO[C@@H](CN)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000884194420 598022491 /nfs/dbraw/zinc/02/24/91/598022491.db2.gz IXXAXZJIVAZYGB-MKBNYLNASA-N 0 3 339.411 1.029 20 10 EDCDHN CCC[C@@H](N)c1cn(CC(=O)N(C)Cc2ccc(N(C)C)cc2)nn1 ZINC000881083743 598069585 /nfs/dbraw/zinc/06/95/85/598069585.db2.gz GTRKAIKZRVSFJO-MRXNPFEDSA-N 0 3 344.463 1.803 20 10 EDCDHN C[C@@H]1[C@H](NC(=O)NCc2ccc(N3CCOCC3)cc2)CCN1C ZINC000914336500 695368767 /nfs/dbraw/zinc/36/87/67/695368767.db2.gz ZMKBWMQVHIAQAZ-RHSMWYFYSA-N 0 3 332.448 1.415 20 10 EDCDHN CC[C@H](NC[C@@]1(O)CCS(=O)(=O)C1)c1ccc(N(C)C)cc1 ZINC000296575552 288047227 /nfs/dbraw/zinc/04/72/27/288047227.db2.gz TZIICOFGFFNZHY-HOTGVXAUSA-N 0 3 326.462 1.343 20 10 EDCDHN C[C@H]1C[C@H](N2CCCC2)CN1c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000376206580 279997078 /nfs/dbraw/zinc/99/70/78/279997078.db2.gz ZUHWYTSRNDZAKO-RYUDHWBXSA-N 0 3 346.387 1.989 20 10 EDCDHN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@]1(F)CCNC1 ZINC000165418472 442209302 /nfs/dbraw/zinc/20/93/02/442209302.db2.gz WUKWGNLZNVVLJD-QGZVFWFLSA-N 0 3 339.386 1.105 20 10 EDCDHN Cc1cc([O-])c(C[NH2+][C@@H]2CC(=O)N(CCN3CCOCC3)C2)cc1C ZINC000177355598 442331267 /nfs/dbraw/zinc/33/12/67/442331267.db2.gz KNMNSQRSTOWMGU-QGZVFWFLSA-N 0 3 347.459 1.032 20 10 EDCDHN Cc1cc(O)c(CN[C@@H]2CC(=O)N(CCN3CCOCC3)C2)cc1C ZINC000177355598 442331269 /nfs/dbraw/zinc/33/12/69/442331269.db2.gz KNMNSQRSTOWMGU-QGZVFWFLSA-N 0 3 347.459 1.032 20 10 EDCDHN COCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cc(OC)ccc1[O-])CC2 ZINC000186102847 442463557 /nfs/dbraw/zinc/46/35/57/442463557.db2.gz IJBGNJKYGIQZLU-RYUDHWBXSA-N 0 3 332.404 1.804 20 10 EDCDHN CN(C)C[C@@](C)(O)CNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000178971190 442542256 /nfs/dbraw/zinc/54/22/56/442542256.db2.gz CMZBHSKHBLTDCU-SFHVURJKSA-N 0 3 334.464 1.399 20 10 EDCDHN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1C[C@H](F)CN1 ZINC000188732085 442799343 /nfs/dbraw/zinc/79/93/43/442799343.db2.gz YKBIYBOIQPPHJX-DOTOQJQBSA-N 0 3 335.423 1.212 20 10 EDCDHN CC[C@@H](C(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1)N(C)C ZINC000190235270 443074489 /nfs/dbraw/zinc/07/44/89/443074489.db2.gz UJXFNRRGNCGSMP-SFHVURJKSA-N 0 3 346.475 1.312 20 10 EDCDHN CCN1CCN(c2ccc(CN[C@@H](C)CC(=O)NC)cc2F)CC1 ZINC000268927259 443149156 /nfs/dbraw/zinc/14/91/56/443149156.db2.gz YLRCUIVYLQKORA-AWEZNQCLSA-N 0 3 336.455 1.582 20 10 EDCDHN CC(C)(C)[C@H](N)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000269252701 443252065 /nfs/dbraw/zinc/25/20/65/443252065.db2.gz QDDBGHRYLVVOAS-MRXNPFEDSA-N 0 3 337.439 1.776 20 10 EDCDHN CCN(CC)c1ccc(CN2CC[C@@]3(C2)NC(=O)N(C)C3=O)cc1 ZINC000271171512 443494065 /nfs/dbraw/zinc/49/40/65/443494065.db2.gz MBRJRKWJZADUGJ-SFHVURJKSA-N 0 3 330.432 1.659 20 10 EDCDHN CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000286382445 443702540 /nfs/dbraw/zinc/70/25/40/443702540.db2.gz MLQOACDOPAPXIJ-KBPBESRZSA-N 0 3 334.416 1.732 20 10 EDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2CCn3ncc(C(N)=O)c3C2)c1 ZINC000280959917 443784091 /nfs/dbraw/zinc/78/40/91/443784091.db2.gz KKGIEBVKDOKLSG-NEPJUHHUSA-N 0 3 344.415 1.609 20 10 EDCDHN COc1cc(Cl)cc(CN2CCN(C[C@@H](C)O)C[C@H]2C)c1O ZINC000284260523 443770779 /nfs/dbraw/zinc/77/07/79/443770779.db2.gz GGROUHXKAJXETR-VXGBXAGGSA-N 0 3 328.840 1.941 20 10 EDCDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2CCn3ncc(C(N)=O)c3C2)c([O-])c1 ZINC000280907066 443771651 /nfs/dbraw/zinc/77/16/51/443771651.db2.gz GEFCOLDGERVJFB-STQMWFEESA-N 0 3 328.416 1.909 20 10 EDCDHN COc1cc(Cl)cc(CN2CCO[C@H]3CC[N@H+](C)C[C@H]32)c1[O-] ZINC000284616262 443780873 /nfs/dbraw/zinc/78/08/73/443780873.db2.gz MCJBCWOMAFUBAG-KGLIPLIRSA-N 0 3 326.824 1.959 20 10 EDCDHN COc1cc(Cl)cc(CN2CCO[C@H]3CC[N@@H+](C)C[C@H]32)c1[O-] ZINC000284616262 443780876 /nfs/dbraw/zinc/78/08/76/443780876.db2.gz MCJBCWOMAFUBAG-KGLIPLIRSA-N 0 3 326.824 1.959 20 10 EDCDHN CCOc1cccc(CN2CCC[C@@H](n3cc(CO)nn3)C2)c1O ZINC000293593003 444064238 /nfs/dbraw/zinc/06/42/38/444064238.db2.gz IRHKCZQFFUCFPC-OAHLLOKOSA-N 0 3 332.404 1.712 20 10 EDCDHN COc1ccc(O)c(CN2CCC[C@@H](CN(C)S(C)(=O)=O)C2)c1 ZINC000289309408 444103783 /nfs/dbraw/zinc/10/37/83/444103783.db2.gz DNWOSQWDCDRZIN-ZDUSSCGKSA-N 0 3 342.461 1.504 20 10 EDCDHN Cc1cc(N2CCC[C@@H]([NH2+]Cc3cc4c(cc3[O-])OCO4)C2)n(C)n1 ZINC000365554255 446251929 /nfs/dbraw/zinc/25/19/29/446251929.db2.gz JXINTVFUUVPKJH-CQSZACIVSA-N 0 3 344.415 1.921 20 10 EDCDHN CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CN2CCN1CCC2 ZINC000366984975 446445001 /nfs/dbraw/zinc/44/50/01/446445001.db2.gz YWKJVKQKUMGGHW-KRWDZBQOSA-N 0 3 331.460 1.911 20 10 EDCDHN COc1cccc(C[N@@H+]2CCC[C@H](CN3CCN(C)CC3)C2)c1[O-] ZINC000377624643 447252964 /nfs/dbraw/zinc/25/29/64/447252964.db2.gz LIJHUPIILGGQIR-MRXNPFEDSA-N 0 3 333.476 1.860 20 10 EDCDHN COc1cccc(C[N@H+]2CCC[C@H](CN3CCN(C)CC3)C2)c1[O-] ZINC000377624643 447252970 /nfs/dbraw/zinc/25/29/70/447252970.db2.gz LIJHUPIILGGQIR-MRXNPFEDSA-N 0 3 333.476 1.860 20 10 EDCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@@]2(CO)COCC3(CCC3)N2C)c1 ZINC000527956667 448398912 /nfs/dbraw/zinc/39/89/12/448398912.db2.gz QXYYDWIXTQSXAX-HNAYVOBHSA-N 0 3 334.460 1.967 20 10 EDCDHN CN1CCCc2cc(CNC(=O)NC3CCN(CCO)CC3)ccc21 ZINC000732456877 578713550 /nfs/dbraw/zinc/71/35/50/578713550.db2.gz MQYUWRGXMNSMRP-UHFFFAOYSA-N 0 3 346.475 1.325 20 10 EDCDHN COc1ccc(N2CCN(C(=O)CN3CCC[C@H]3CCO)CC2)cc1 ZINC000778270172 580460322 /nfs/dbraw/zinc/46/03/22/580460322.db2.gz DLGNCJLONHCRFB-INIZCTEOSA-N 0 3 347.459 1.191 20 10 EDCDHN CCOc1ccc(C[NH+]2CCC(C(=O)NCCOC)CC2)c([O-])c1 ZINC000768235896 580209493 /nfs/dbraw/zinc/20/94/93/580209493.db2.gz DNLFZTSFQXTKNN-UHFFFAOYSA-N 0 3 336.432 1.766 20 10 EDCDHN COCCNC(=O)C1CCN(Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000768237692 580209533 /nfs/dbraw/zinc/20/95/33/580209533.db2.gz MVZAUERFEXUXEQ-UHFFFAOYSA-N 0 3 337.439 1.866 20 10 EDCDHN C[C@H](NCC(=O)NC(=O)NC1CC1)c1ccc(N2CCOCC2)cc1 ZINC000775258230 580387018 /nfs/dbraw/zinc/38/70/18/580387018.db2.gz USGYGODVGXTPIS-ZDUSSCGKSA-N 0 3 346.431 1.162 20 10 EDCDHN C[C@H](NCC(=O)NC1CCOCC1)c1ccc(N2CCOCC2)cc1 ZINC000775259873 580387061 /nfs/dbraw/zinc/38/70/61/580387061.db2.gz ZZZHXWPXFUCVAJ-HNNXBMFYSA-N 0 3 347.459 1.469 20 10 EDCDHN CNC(=O)CC1CCN(Cc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC000775713387 580398231 /nfs/dbraw/zinc/39/82/31/580398231.db2.gz LRVDKYJNHMRAMU-UHFFFAOYSA-N 0 3 344.503 1.787 20 10 EDCDHN CN1CCN(c2ccc(CN3CCO[C@H]([C@H]4CCCO4)C3)cc2)CC1 ZINC000775736613 580399056 /nfs/dbraw/zinc/39/90/56/580399056.db2.gz CBPHXWPWRZGGAT-UXHICEINSA-N 0 3 345.487 1.818 20 10 EDCDHN Cc1cc(Cl)cc(C[NH2+]CCCN2CCCS2(=O)=O)c1[O-] ZINC000776173970 580410349 /nfs/dbraw/zinc/41/03/49/580410349.db2.gz RWIKFMCEDNAGBT-UHFFFAOYSA-N 0 3 332.853 1.869 20 10 EDCDHN Cc1cc(Br)cc(C[NH2+]CCC2CS(=O)(=O)C2)c1[O-] ZINC000787417052 580694900 /nfs/dbraw/zinc/69/49/00/580694900.db2.gz IFKLZMALSIWFQO-UHFFFAOYSA-N 0 3 348.262 1.987 20 10 EDCDHN Cc1cc([O-])c(C[NH2+][C@H]2CCC[C@@H]2CNS(C)(=O)=O)cc1C ZINC000800309820 581050340 /nfs/dbraw/zinc/05/03/40/581050340.db2.gz SBWJZHYQCGRFEX-HIFRSBDPSA-N 0 3 326.462 1.817 20 10 EDCDHN COc1nc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)co1 ZINC000891245987 591015768 /nfs/dbraw/zinc/01/57/68/591015768.db2.gz LFICDTARHNZDME-HNNXBMFYSA-N 0 3 332.404 1.782 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)Cc2cncn2C)N(C)C)cc1 ZINC000891249633 591018078 /nfs/dbraw/zinc/01/80/78/591018078.db2.gz VHARGEIPIZUMTP-KRWDZBQOSA-N 0 3 329.448 1.448 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)c2csc(CO)n2)N(C)C)cc1 ZINC000891250241 591019847 /nfs/dbraw/zinc/01/98/47/591019847.db2.gz VSHJJWJTBUCRRC-HNNXBMFYSA-N 0 3 348.472 1.734 20 10 EDCDHN CN(C)C(=O)CCCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891253495 591020858 /nfs/dbraw/zinc/02/08/58/591020858.db2.gz SVHKCTXTCCLXMO-QGZVFWFLSA-N 0 3 348.491 1.730 20 10 EDCDHN COc1ccc(CN2CC[C@@H](Nc3ncccn3)C2)c(O)c1OC ZINC000895081708 591573096 /nfs/dbraw/zinc/57/30/96/591573096.db2.gz IFNAWHKCTWHLAG-CYBMUJFWSA-N 0 3 330.388 1.886 20 10 EDCDHN COc1ccc(C[NH2+]CC(C)(C)[C@@]2(O)CCOC2)c([O-])c1OC ZINC000895116556 591596766 /nfs/dbraw/zinc/59/67/66/591596766.db2.gz YTGPXMPCBXZHJL-QGZVFWFLSA-N 0 3 325.405 1.677 20 10 EDCDHN Cc1cccc(CNCC(=O)NCC(=O)NCc2ccccc2)c1O ZINC000896888506 591650793 /nfs/dbraw/zinc/65/07/93/591650793.db2.gz SFFHYNIEFIVJLI-UHFFFAOYSA-N 0 3 341.411 1.223 20 10 EDCDHN CN(C)c1ccc([C@@H](CNC(=O)N2CCC(CO)CC2)N(C)C)cc1 ZINC000899101725 591682436 /nfs/dbraw/zinc/68/24/36/591682436.db2.gz LGZWZNBRWWXKEJ-GOSISDBHSA-N 0 3 348.491 1.769 20 10 EDCDHN CN(C)c1ccc([C@H](CNC(=O)N2CCC[C@H]2CCO)N(C)C)cc1 ZINC000899099301 591688840 /nfs/dbraw/zinc/68/88/40/591688840.db2.gz YMRWQZICLXFKDF-ROUUACIJSA-N 0 3 348.491 1.912 20 10 EDCDHN C[C@@H]1C[C@H](O)CN1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899100562 591689963 /nfs/dbraw/zinc/68/99/63/591689963.db2.gz ANRJQURVFKEXDY-XOKHGSTOSA-N 0 3 334.464 1.520 20 10 EDCDHN COc1ccc(C[NH2+]CC[S@@](=O)CC(F)(F)F)c([O-])c1OC ZINC000895313540 591709802 /nfs/dbraw/zinc/70/98/02/591709802.db2.gz JOOVBJVNEAVUDQ-JOCHJYFZSA-N 0 3 341.351 1.810 20 10 EDCDHN Cc1cc([O-])c(C[N@@H+]2CC[C@H](CS(N)(=O)=O)C2)cc1C(C)C ZINC000902525116 592010772 /nfs/dbraw/zinc/01/07/72/592010772.db2.gz WBUUDLNIKOIXSR-ZDUSSCGKSA-N 0 3 326.462 1.934 20 10 EDCDHN Cc1cc([O-])c(C[N@H+]2CC[C@H](CS(N)(=O)=O)C2)cc1C(C)C ZINC000902525116 592010775 /nfs/dbraw/zinc/01/07/75/592010775.db2.gz WBUUDLNIKOIXSR-ZDUSSCGKSA-N 0 3 326.462 1.934 20 10 EDCDHN C[C@]1([C@H]2CCC[N@H+](Cc3cc4c(cc3[O-])OC[C@@H]4O)C2)COC(=O)N1 ZINC000905700637 592614480 /nfs/dbraw/zinc/61/44/80/592614480.db2.gz IPUPHPWZJLPFQY-XLWVJDPXSA-N 0 3 348.399 1.529 20 10 EDCDHN C[C@]1([C@H]2CCC[N@@H+](Cc3cc4c(cc3[O-])OC[C@@H]4O)C2)COC(=O)N1 ZINC000905700637 592614484 /nfs/dbraw/zinc/61/44/84/592614484.db2.gz IPUPHPWZJLPFQY-XLWVJDPXSA-N 0 3 348.399 1.529 20 10 EDCDHN Cc1nc(CC2CC[NH+](Cc3cc4c(cc3[O-])OC[C@@H]4O)CC2)no1 ZINC000905732758 592631375 /nfs/dbraw/zinc/63/13/75/592631375.db2.gz BATAPMXJRYMANO-INIZCTEOSA-N 0 3 345.399 1.964 20 10 EDCDHN [O-]c1ccccc1C[N@@H+](C[C@@H](O)CN1CCOCC1)C1CCCC1 ZINC000733613749 592951760 /nfs/dbraw/zinc/95/17/60/592951760.db2.gz JVYPVCFUYYOEOF-SFHVURJKSA-N 0 3 334.460 1.830 20 10 EDCDHN [O-]c1ccccc1C[N@H+](C[C@@H](O)CN1CCOCC1)C1CCCC1 ZINC000733613749 592951762 /nfs/dbraw/zinc/95/17/62/592951762.db2.gz JVYPVCFUYYOEOF-SFHVURJKSA-N 0 3 334.460 1.830 20 10 EDCDHN CCN(CC)c1ccc(CNC(=O)C(=O)N2C[C@@H](N)C(C)(C)C2)cc1 ZINC000911231188 592970901 /nfs/dbraw/zinc/97/09/01/592970901.db2.gz XNCDUMIGHWUOIH-MRXNPFEDSA-N 0 3 346.475 1.345 20 10 EDCDHN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000807095449 593143599 /nfs/dbraw/zinc/14/35/99/593143599.db2.gz ATVDWOBMXJMRPA-UHFFFAOYSA-N 0 3 346.475 1.230 20 10 EDCDHN CCOC(=O)[C@H]1CN(Cc2cc(OC)c(C)cc2O)CC12COC2 ZINC000840100179 593180040 /nfs/dbraw/zinc/18/00/40/593180040.db2.gz LPWSGXPGUCYAJI-CQSZACIVSA-N 0 3 335.400 1.721 20 10 EDCDHN C[C@H](NC(=O)NC[C@@H]1CCCN1CCCO)c1ccc(N(C)C)cc1 ZINC000838558960 593187620 /nfs/dbraw/zinc/18/76/20/593187620.db2.gz IXLWTSQYUCKKBC-YJBOKZPZSA-N 0 3 348.491 1.960 20 10 EDCDHN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@@H]1CN2CCN1CCC2 ZINC000839919285 593213634 /nfs/dbraw/zinc/21/36/34/593213634.db2.gz GMHQRWBGYRDKBM-APWZRJJASA-N 0 3 344.503 1.498 20 10 EDCDHN CN1CCN(c2ccc(CN3CCO[C@@]4(CCCOC4)C3)cc2)CC1 ZINC000809687441 593354894 /nfs/dbraw/zinc/35/48/94/593354894.db2.gz ZIQPOSTZYNEPRP-FQEVSTJZSA-N 0 3 345.487 1.820 20 10 EDCDHN COC(=O)[C@@H]1CSCCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000840185503 593361004 /nfs/dbraw/zinc/36/10/04/593361004.db2.gz FWEOIFODHDNRJC-NSHDSACASA-N 0 3 325.386 1.459 20 10 EDCDHN COCC[C@H](COC)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000810173958 593387133 /nfs/dbraw/zinc/38/71/33/593387133.db2.gz LPYPCCWWQYTBSR-OAHLLOKOSA-N 0 3 326.412 1.803 20 10 EDCDHN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000804429884 593413808 /nfs/dbraw/zinc/41/38/08/593413808.db2.gz KIQPMPPTAKWHPR-AWEZNQCLSA-N 0 3 346.475 1.276 20 10 EDCDHN CN1CCN(C(=O)CC[NH2+]Cc2ccc3ccccc3c2[O-])CC1 ZINC000816547919 593531124 /nfs/dbraw/zinc/53/11/24/593531124.db2.gz OALJSHWSWBKMAA-UHFFFAOYSA-N 0 3 327.428 1.799 20 10 EDCDHN CCOC(=O)[C@@H]1NCC[C@@H]1N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000817934624 593650018 /nfs/dbraw/zinc/65/00/18/593650018.db2.gz LKSDTFDHZNCNRA-FHLIZLRMSA-N 0 3 333.476 1.875 20 10 EDCDHN C[C@H]1CCCN(CCN2C(=O)CN(Cc3ccccc3O)C2=O)C1 ZINC000819165099 593742259 /nfs/dbraw/zinc/74/22/59/593742259.db2.gz OOQKPYNDJCEPAN-AWEZNQCLSA-N 0 3 331.416 1.888 20 10 EDCDHN C[C@H](C1=CCN(C)CC1)N1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819170614 593742495 /nfs/dbraw/zinc/74/24/95/593742495.db2.gz JQTAYFVAZHODRC-CYBMUJFWSA-N 0 3 329.400 1.807 20 10 EDCDHN