smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(Cl)cc(CN(C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)c1O ZINC000180434164 455168753 /nfs/dbraw/zinc/16/87/53/455168753.db2.gz RSMBGRDXLQDGFG-CABCVRRESA-N 0 1 345.892 3.142 10 10 EGCEMN C[C@@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)c1cc(Cl)ccc1[O-] ZINC000185060803 455493628 /nfs/dbraw/zinc/49/36/28/455493628.db2.gz NJNNJYDDPXLIMG-OCCSQVGLSA-N 0 1 332.835 3.155 10 10 EGCEMN C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)c1ccc(Br)cc1[O-] ZINC000185531662 455573787 /nfs/dbraw/zinc/57/37/87/455573787.db2.gz RLIWJUJKDPMUFZ-MJVIPROJSA-N 0 1 328.250 3.356 10 10 EGCEMN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000294795517 455828401 /nfs/dbraw/zinc/82/84/01/455828401.db2.gz VOKDXSNKTAVBTG-SDBXPKJASA-N 0 1 341.732 3.320 10 10 EGCEMN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000295406956 455847961 /nfs/dbraw/zinc/84/79/61/455847961.db2.gz RGMAVKFJCVJIJC-ZYHUDNBSSA-N 0 1 327.705 3.072 10 10 EGCEMN CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000282444957 456515981 /nfs/dbraw/zinc/51/59/81/456515981.db2.gz IIGBPKUCKANKAK-OAHLLOKOSA-N 0 1 327.428 3.364 10 10 EGCEMN C[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O)c1cc(Cl)ccc1[O-] ZINC000283002577 456686662 /nfs/dbraw/zinc/68/66/62/456686662.db2.gz GJGXHVRKVXOYBD-DCGLDWPTSA-N 0 1 339.863 3.264 10 10 EGCEMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCCCCF)C1 ZINC000360504355 457316092 /nfs/dbraw/zinc/31/60/92/457316092.db2.gz CFTXNRSYUOPZJA-UHFFFAOYSA-N 0 1 345.462 3.274 10 10 EGCEMN COc1ccc(O)c([C@H](C)N[C@H](C)c2nnc3n2CCCCC3)c1 ZINC000373931004 457406686 /nfs/dbraw/zinc/40/66/86/457406686.db2.gz AAXYDLDGJUCIOJ-QWHCGFSZSA-N 0 1 330.432 3.131 10 10 EGCEMN COc1ccc(O)c([C@@H](C)N[C@H](C)c2nnc3n2CCCCC3)c1 ZINC000373931000 457406802 /nfs/dbraw/zinc/40/68/02/457406802.db2.gz AAXYDLDGJUCIOJ-CHWSQXEVSA-N 0 1 330.432 3.131 10 10 EGCEMN CC(=O)c1cc(F)cc(C[NH2+][C@@H]2CCN(C)[C@H]2c2ccccc2)c1[O-] ZINC000375063145 457776568 /nfs/dbraw/zinc/77/65/68/457776568.db2.gz CKRGRMASQOLXCD-MOPGFXCFSA-N 0 1 342.414 3.269 10 10 EGCEMN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](Cc3ccncc3)C2)c1O ZINC000375154284 457814048 /nfs/dbraw/zinc/81/40/48/457814048.db2.gz SNDIBJDFEXAYOY-HNNXBMFYSA-N 0 1 328.387 3.194 10 10 EGCEMN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](Cc3ccncc3)C2)c1[O-] ZINC000375154284 457814054 /nfs/dbraw/zinc/81/40/54/457814054.db2.gz SNDIBJDFEXAYOY-HNNXBMFYSA-N 0 1 328.387 3.194 10 10 EGCEMN COC(=O)[C@H]1CC[N@H+](Cc2cc3oc4ccccc4c3cc2[O-])C1 ZINC000726962595 574621560 /nfs/dbraw/zinc/62/15/60/574621560.db2.gz ZZXWQMFRVSVGEK-LBPRGKRZSA-N 0 1 325.364 3.287 10 10 EGCEMN COC(=O)[C@H]1CC[N@@H+](Cc2cc3oc4ccccc4c3cc2[O-])C1 ZINC000726962595 574621563 /nfs/dbraw/zinc/62/15/63/574621563.db2.gz ZZXWQMFRVSVGEK-LBPRGKRZSA-N 0 1 325.364 3.287 10 10 EGCEMN [O-]c1c(Br)cccc1C[N@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000895846591 1309555208 /nfs/dbraw/zinc/55/52/08/1309555208.db2.gz QRPGSXJMRRBLFW-SMDDNHRTSA-N 0 1 326.234 3.156 10 10 EGCEMN [O-]c1ccc(Br)cc1C[N@@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000895848466 1309557306 /nfs/dbraw/zinc/55/73/06/1309557306.db2.gz ZMPUOVJCMNWPCF-XHDPSFHLSA-N 0 1 326.234 3.156 10 10 EGCEMN [O-]c1ccc(Br)cc1C[N@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000895848466 1309557315 /nfs/dbraw/zinc/55/73/15/1309557315.db2.gz ZMPUOVJCMNWPCF-XHDPSFHLSA-N 0 1 326.234 3.156 10 10 EGCEMN c1[nH]nc2c1CCC[C@H]2NCc1ccc(N2CCSCC2)cc1 ZINC000857848808 1328602023 /nfs/dbraw/zinc/60/20/23/1328602023.db2.gz NGGHTSJZCIQJSF-QGZVFWFLSA-N 0 1 328.485 3.130 10 10 EGCEMN [O-]c1ccc(Cl)cc1C[NH2+]CC1(OCCO)CCC(F)(F)CC1 ZINC000858236138 1328718522 /nfs/dbraw/zinc/71/85/22/1328718522.db2.gz BPCIEHFDGPUEMJ-UHFFFAOYSA-N 0 1 349.805 3.092 10 10 EGCEMN COC(=O)C1=CC[C@H]([NH2+][C@H](C)c2ccc(Br)cc2[O-])C1 ZINC000858473507 1328771343 /nfs/dbraw/zinc/77/13/43/1328771343.db2.gz OXKBMHUEEIFTKX-SKDRFNHKSA-N 0 1 340.217 3.067 10 10 EGCEMN Oc1c(Cl)cc(Cl)cc1CNc1ncc2c(n1)CCOC2 ZINC000865294002 1329684086 /nfs/dbraw/zinc/68/40/86/1329684086.db2.gz FNWFRACSMYWHLK-UHFFFAOYSA-N 0 1 326.183 3.174 10 10 EGCEMN CN1CCN(c2ccc(CNc3cncc(C(F)F)c3)cc2)CC1 ZINC000865295262 1329684187 /nfs/dbraw/zinc/68/41/87/1329684187.db2.gz AZLLSCRUUZWJJV-UHFFFAOYSA-N 0 1 332.398 3.383 10 10 EGCEMN CCN1CCN(c2ccc(CNC(=O)CCCC(C)C)cc2F)CC1 ZINC001125907934 1372887581 /nfs/dbraw/zinc/88/75/81/1372887581.db2.gz PKYKANVENSOXEX-UHFFFAOYSA-N 0 1 349.494 3.410 10 10 EGCEMN CCN1CCN(c2ccc(CNC(=O)CCC3(C)CC3)cc2F)CC1 ZINC001125976054 1372902809 /nfs/dbraw/zinc/90/28/09/1372902809.db2.gz JEYIWHXQCNGWFX-UHFFFAOYSA-N 0 1 347.478 3.164 10 10 EGCEMN C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1cnncc1O ZINC001137816644 1377621459 /nfs/dbraw/zinc/62/14/59/1377621459.db2.gz NCCVBMLWBBGFFB-AWEZNQCLSA-N 0 1 349.390 3.291 10 10 EGCEMN CCCN(Cc1ccccc1O)C(=O)CN(C)CCc1ccccc1 ZINC001294681258 1382483258 /nfs/dbraw/zinc/48/32/58/1382483258.db2.gz AMGVJAVAVNLICY-UHFFFAOYSA-N 0 1 340.467 3.305 10 10 EGCEMN CN1CCN(c2ccc(CNc3c(F)cccc3[N+](=O)[O-])cc2)CC1 ZINC001164008538 1383146305 /nfs/dbraw/zinc/14/63/05/1383146305.db2.gz NEGHNPQYUGYETB-UHFFFAOYSA-N 0 1 344.390 3.098 10 10 EGCEMN COC[C@H]1CCC[N@H+](Cc2ccc(Br)cc2[O-])CC1 ZINC001350620867 1391492129 /nfs/dbraw/zinc/49/21/29/1391492129.db2.gz ZUMCCIQAGSSHII-LBPRGKRZSA-N 0 1 328.250 3.403 10 10 EGCEMN COC[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2[O-])CC1 ZINC001350620867 1391492131 /nfs/dbraw/zinc/49/21/31/1391492131.db2.gz ZUMCCIQAGSSHII-LBPRGKRZSA-N 0 1 328.250 3.403 10 10 EGCEMN COc1ccccc1CNCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000071825310 203120703 /nfs/dbraw/zinc/12/07/03/203120703.db2.gz TUYCZMZKGGGNQR-UHFFFAOYSA-N 0 1 344.430 3.085 10 10 EGCEMN CCc1nc(CNC2CCN(c3ccc(OC)cc3)CC2)cs1 ZINC000071924584 203153486 /nfs/dbraw/zinc/15/34/86/203153486.db2.gz ROFLJIMJUFBMED-UHFFFAOYSA-N 0 1 331.485 3.473 10 10 EGCEMN CN(C)c1ccc([C@@H](CNC(=O)c2cccs2)N2CCCC2)cc1 ZINC000005098003 452835450 /nfs/dbraw/zinc/83/54/50/452835450.db2.gz CMNZQIUFQIOUKC-QGZVFWFLSA-N 0 1 343.496 3.381 10 10 EGCEMN CCN(CC)c1ccc(CN2CCO[C@@H]3CC[C@H](OC)C[C@@H]32)cc1 ZINC000245693940 455357494 /nfs/dbraw/zinc/35/74/94/455357494.db2.gz AZFRTJRKENSNCL-SLFFLAALSA-N 0 1 332.488 3.301 10 10 EGCEMN CN(C)c1ccc(CN(C)Cc2cn(C)nc2C(F)(F)F)cc1 ZINC000092068763 454513438 /nfs/dbraw/zinc/51/34/38/454513438.db2.gz XQYNSMROBMQMQT-UHFFFAOYSA-N 0 1 326.366 3.137 10 10 EGCEMN O=C1C[C@@H]([C@@H]2CCCC[N@@H+]2Cc2cc(Cl)cc(Cl)c2[O-])CN1 ZINC000092105321 454524976 /nfs/dbraw/zinc/52/49/76/454524976.db2.gz SQQRMJHFTZDEAO-YGRLFVJLSA-N 0 1 343.254 3.190 10 10 EGCEMN Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(C)c3O)C2)n1 ZINC000179729272 455070843 /nfs/dbraw/zinc/07/08/43/455070843.db2.gz GNDDZHLEYGCCCW-QGZVFWFLSA-N 0 1 339.439 3.255 10 10 EGCEMN CCc1nc(CNCc2ccc(N(C)Cc3cccs3)cc2)n[nH]1 ZINC000295965659 455864103 /nfs/dbraw/zinc/86/41/03/455864103.db2.gz IDXDQBILCIBJBM-UHFFFAOYSA-N 0 1 341.484 3.355 10 10 EGCEMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N(C)C2CCC2)C1 ZINC000435805047 458207898 /nfs/dbraw/zinc/20/78/98/458207898.db2.gz ARTBLPYVQBXMHT-UHFFFAOYSA-N 0 1 339.483 3.419 10 10 EGCEMN [O-]c1c(Br)cccc1CNc1ccc2c(c1)OCC[NH2+]C2 ZINC000530180939 458711246 /nfs/dbraw/zinc/71/12/46/458711246.db2.gz FSEHPOZYDPBUIK-UHFFFAOYSA-N 0 1 349.228 3.249 10 10 EGCEMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2[C@H](C)C[C@@H]2C)C1 ZINC000525939686 459517723 /nfs/dbraw/zinc/51/77/23/459517723.db2.gz CFODEROYOVZQSM-IYBDPMFKSA-N 0 1 339.483 3.417 10 10 EGCEMN C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1cc2c(cc1O)CCC2 ZINC000738108580 576289431 /nfs/dbraw/zinc/28/94/31/576289431.db2.gz DHBDIKAUCHPNPA-CQSZACIVSA-N 0 1 346.471 3.322 10 10 EGCEMN COc1cc(C)cc(CN2CCO[C@H](Cc3ccccc3)C2)c1O ZINC000182951494 1295087481 /nfs/dbraw/zinc/08/74/81/1295087481.db2.gz XDGFTIBLFJPLEQ-GOSISDBHSA-N 0 1 327.424 3.153 10 10 EGCEMN CC[N@H+]1CCCN(Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC000708214613 1298237235 /nfs/dbraw/zinc/23/72/35/1298237235.db2.gz DDVGDCJPGFMRJB-UHFFFAOYSA-N 0 1 347.684 3.336 10 10 EGCEMN C[N@H+](CCN1CCCC1)Cc1cc(Cl)cc(Br)c1[O-] ZINC000708141309 1298237744 /nfs/dbraw/zinc/23/77/44/1298237744.db2.gz RYOQGNUZRQUZNO-UHFFFAOYSA-N 0 1 347.684 3.336 10 10 EGCEMN C[N@@H+](CCN1CCCC1)Cc1cc(Cl)cc(Br)c1[O-] ZINC000708141309 1298237756 /nfs/dbraw/zinc/23/77/56/1298237756.db2.gz RYOQGNUZRQUZNO-UHFFFAOYSA-N 0 1 347.684 3.336 10 10 EGCEMN Cc1cc([O-])c(C[NH2+]C[C@@H]2CC[C@@]3(CO[C@@H](C)C3)O2)c(Cl)c1 ZINC000886330325 1303436359 /nfs/dbraw/zinc/43/63/59/1303436359.db2.gz QQCVWNLHSAIGKH-GDZNZVCISA-N 0 1 325.836 3.170 10 10 EGCEMN COC(=O)c1c(CNCc2cnccc2C)c2cc(F)ccc2n1C ZINC000894903916 1309121386 /nfs/dbraw/zinc/12/13/86/1309121386.db2.gz WLXKGVATEHXXNI-UHFFFAOYSA-N 0 1 341.386 3.097 10 10 EGCEMN C[C@@H]1CN(Cc2cc(F)cc(F)c2O)C[C@H](CC(F)(F)F)O1 ZINC000895354267 1309297336 /nfs/dbraw/zinc/29/73/36/1309297336.db2.gz WWFIZPSMEDYNPH-KCJUWKMLSA-N 0 1 325.277 3.212 10 10 EGCEMN COC(=O)c1cc(C[NH2+]Cc2cc(Cl)c(C)cc2[O-])n(C)c1C ZINC000895647601 1309447285 /nfs/dbraw/zinc/44/72/85/1309447285.db2.gz WFZWBIWYGSXHED-UHFFFAOYSA-N 0 1 336.819 3.077 10 10 EGCEMN C[C@@H]1C[C@@]2(CC[C@H](C[NH2+]Cc3ccc4ccccc4c3[O-])O2)CO1 ZINC000895818079 1309534405 /nfs/dbraw/zinc/53/44/05/1309534405.db2.gz BLJZGUVDDIXFOE-ZTQAJYAQSA-N 0 1 327.424 3.362 10 10 EGCEMN Cc1cc(CC[NH2+][C@@H](C)c2ccc(Br)cc2[O-])nn1C ZINC000926908747 1327770058 /nfs/dbraw/zinc/77/00/58/1327770058.db2.gz BPZLSAYHLAZGGR-NSHDSACASA-N 0 1 338.249 3.090 10 10 EGCEMN [O-]c1cccc(Br)c1C[N@H+]1CCCCC[C@@H]1CCO ZINC000862360161 1329477855 /nfs/dbraw/zinc/47/78/55/1329477855.db2.gz CCAWKJXJNXOTPW-GFCCVEGCSA-N 0 1 328.250 3.282 10 10 EGCEMN [O-]c1cccc(Br)c1C[N@@H+]1CCCCC[C@@H]1CCO ZINC000862360161 1329477857 /nfs/dbraw/zinc/47/78/57/1329477857.db2.gz CCAWKJXJNXOTPW-GFCCVEGCSA-N 0 1 328.250 3.282 10 10 EGCEMN CCOC(=O)c1cc(CN[C@@H](CC)c2ccc(N(C)C)cc2)on1 ZINC000866514694 1330120563 /nfs/dbraw/zinc/12/05/63/1330120563.db2.gz PTNBPAMZNBIRTI-INIZCTEOSA-N 0 1 331.416 3.158 10 10 EGCEMN Cc1ccsc1[C@H](CO)[NH2+]Cc1c([O-])cccc1Br ZINC001334890145 1390613602 /nfs/dbraw/zinc/61/36/02/1390613602.db2.gz GTGVLYRQAWAMCQ-LBPRGKRZSA-N 0 1 342.258 3.348 10 10 EGCEMN CN1CCN(c2ccc(CNC(=O)C3CCC(C)(C)CC3)cc2)CC1 ZINC001132902508 1375634543 /nfs/dbraw/zinc/63/45/43/1375634543.db2.gz MIDHPHIYCDSECI-UHFFFAOYSA-N 0 1 343.515 3.271 10 10 EGCEMN Cc1cc(C(=O)NCc2ccc3nc[nH]c3c2)c(C)n1-c1ccccn1 ZINC001158845887 1381428784 /nfs/dbraw/zinc/42/87/84/1381428784.db2.gz SXGXVJUAAWYJJS-UHFFFAOYSA-N 0 1 345.406 3.295 10 10 EGCEMN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCc1n[nH]c(C2CC2)n1 ZINC001159380363 1381781893 /nfs/dbraw/zinc/78/18/93/1381781893.db2.gz PSHFASICHMQXMD-UHFFFAOYSA-N 0 1 349.438 3.328 10 10 EGCEMN O=Cc1ccc(CC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC001298841244 1383437117 /nfs/dbraw/zinc/43/71/17/1383437117.db2.gz LUBAIIHCMZEOBU-UHFFFAOYSA-N 0 1 338.190 3.370 10 10 EGCEMN CCOc1ccc(N2CCN(CCOCC3CCCC3)CC2)cc1 ZINC001168331245 1383875023 /nfs/dbraw/zinc/87/50/23/1383875023.db2.gz AMFMIRAYVJRSSQ-UHFFFAOYSA-N 0 1 332.488 3.414 10 10 EGCEMN CN1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC001307166259 1383949143 /nfs/dbraw/zinc/94/91/43/1383949143.db2.gz NOHQEBACSBQWHM-MRXNPFEDSA-N 0 1 339.395 3.332 10 10 EGCEMN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H]2[C@@H](O)c2ccccc2)c1[O-] ZINC001307986847 1384068811 /nfs/dbraw/zinc/06/88/11/1384068811.db2.gz DBGWMFDVBNWADQ-ICSRJNTNSA-N 0 1 343.398 3.432 10 10 EGCEMN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H]2[C@@H](O)c2ccccc2)c1[O-] ZINC001307986847 1384068820 /nfs/dbraw/zinc/06/88/20/1384068820.db2.gz DBGWMFDVBNWADQ-ICSRJNTNSA-N 0 1 343.398 3.432 10 10 EGCEMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000128532502 455065173 /nfs/dbraw/zinc/06/51/73/455065173.db2.gz JQBRNSUBPCSGPC-NSHDSACASA-N 0 1 341.242 3.203 10 10 EGCEMN C[C@H]([NH2+]Cc1cccnc1-n1ccnc1)c1cc(Cl)ccc1[O-] ZINC000184989274 455483069 /nfs/dbraw/zinc/48/30/69/455483069.db2.gz DAVCJFWFFRSVFY-LBPRGKRZSA-N 0 1 328.803 3.477 10 10 EGCEMN CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cc(Cl)ccc1[O-])CC2 ZINC000185996543 455670421 /nfs/dbraw/zinc/67/04/21/455670421.db2.gz HJGJXBFUEMSCGN-YPMHNXCESA-N 0 1 334.851 3.426 10 10 EGCEMN CCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc3ccccc3c1[O-])CC2 ZINC000185995501 455670759 /nfs/dbraw/zinc/67/07/59/455670759.db2.gz FODLCONYDPQDGP-HIFRSBDPSA-N 0 1 336.439 3.365 10 10 EGCEMN CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc3ccccc3c1[O-])CC2 ZINC000185995443 455670834 /nfs/dbraw/zinc/67/08/34/455670834.db2.gz FODLCONYDPQDGP-DZGCQCFKSA-N 0 1 336.439 3.365 10 10 EGCEMN CC(C)c1nnc2n1C[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])CC2 ZINC000186293167 455735861 /nfs/dbraw/zinc/73/58/61/455735861.db2.gz DOEOXSWPCYNDFD-AAEUAGOBSA-N 0 1 334.851 3.426 10 10 EGCEMN Cc1nocc1CNCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000293733942 455796199 /nfs/dbraw/zinc/79/61/99/455796199.db2.gz ZMXUPBWJLJFYIB-BETUJISGSA-N 0 1 333.407 3.026 10 10 EGCEMN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000293987929 455802246 /nfs/dbraw/zinc/80/22/46/455802246.db2.gz RUHBAMLICZONMI-SFHVURJKSA-N 0 1 335.806 3.321 10 10 EGCEMN COc1ccc([C@@H](CO)[N@@H+](C)Cc2cc(Cl)c(F)cc2[O-])cc1 ZINC000295415870 455848401 /nfs/dbraw/zinc/84/84/01/455848401.db2.gz RYCIZQWDOHWNKS-MRXNPFEDSA-N 0 1 339.794 3.359 10 10 EGCEMN C[C@H]([NH2+]CCS(=O)(=O)c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000273301202 456222737 /nfs/dbraw/zinc/22/27/37/456222737.db2.gz BOMCGQJIFQBKPU-LBPRGKRZSA-N 0 1 339.844 3.170 10 10 EGCEMN C[C@@H](NCc1c(O)ccc(Cl)c1F)c1nnc2n1CCCCC2 ZINC000372776885 458332671 /nfs/dbraw/zinc/33/26/71/458332671.db2.gz QMGFXVZFIVWRBN-SNVBAGLBSA-N 0 1 338.814 3.353 10 10 EGCEMN CC[N@@H+](Cc1c([O-])c(C(=O)OC)cc2ccccc21)C[C@H]1CCOC1 ZINC000738082238 576286119 /nfs/dbraw/zinc/28/61/19/576286119.db2.gz PLUFMNAARGUDNJ-CQSZACIVSA-N 0 1 343.423 3.190 10 10 EGCEMN CC[N@H+](Cc1c([O-])c(C(=O)OC)cc2ccccc21)C[C@H]1CCOC1 ZINC000738082238 576286120 /nfs/dbraw/zinc/28/61/20/576286120.db2.gz PLUFMNAARGUDNJ-CQSZACIVSA-N 0 1 343.423 3.190 10 10 EGCEMN O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C/c1ccccc1Cl ZINC000016183795 1291169032 /nfs/dbraw/zinc/16/90/32/1291169032.db2.gz RPTKTZYGHSHWPB-JLHYYAGUSA-N 0 1 332.787 3.135 10 10 EGCEMN COc1cc(C)cc(CN2CCN(Cc3cccc(F)c3)CC2)c1O ZINC000178901578 1294762613 /nfs/dbraw/zinc/76/26/13/1294762613.db2.gz YNBVGZWJYXOVOE-UHFFFAOYSA-N 0 1 344.430 3.166 10 10 EGCEMN COc1ccc(N2CCN(Cc3c[nH]nc3-c3ccccc3)CC2)cc1 ZINC000179530162 1294802486 /nfs/dbraw/zinc/80/24/86/1294802486.db2.gz BXFSJJLOKYCGLU-UHFFFAOYSA-N 0 1 348.450 3.408 10 10 EGCEMN CN1CCC([N@@H+](C)Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC000708138449 1298235542 /nfs/dbraw/zinc/23/55/42/1298235542.db2.gz ASZMHZWCFSAQBV-UHFFFAOYSA-N 0 1 347.684 3.334 10 10 EGCEMN Cc1cc([O-])c(C[NH2+]C[C@H]2CCC3(CCOCC3)CO2)cc1Cl ZINC000895536584 1309388312 /nfs/dbraw/zinc/38/83/12/1309388312.db2.gz LQUKVUZQPANVDX-OAHLLOKOSA-N 0 1 339.863 3.419 10 10 EGCEMN Cc1cc([O-])c(C[NH2+]C[C@@H]2CC[C@@]3(CO[C@H](C)C3)O2)cc1Cl ZINC000895817916 1309533110 /nfs/dbraw/zinc/53/31/10/1309533110.db2.gz MPTOOVMOTBMASE-HACGYAERSA-N 0 1 325.836 3.170 10 10 EGCEMN CCc1[nH]nc(Cl)c1CN[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000922238446 1322485227 /nfs/dbraw/zinc/48/52/27/1322485227.db2.gz SVYAOGNPFUCBEM-GFCCVEGCSA-N 0 1 334.851 3.003 10 10 EGCEMN C[C@H](NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1ccnnc1 ZINC000924713867 1323128374 /nfs/dbraw/zinc/12/83/74/1323128374.db2.gz GTQLXZUSRPZACF-KFWWJZLASA-N 0 1 344.434 3.080 10 10 EGCEMN COc1ccc(N2CC[C@@H](N[C@H]3CCCc4oc(C)nc43)C2)cc1 ZINC000926680443 1327662471 /nfs/dbraw/zinc/66/24/71/1327662471.db2.gz OKWXMTTWJMFDTN-PBHICJAKSA-N 0 1 327.428 3.238 10 10 EGCEMN CCc1nc(C)ncc1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC001141737739 1378368609 /nfs/dbraw/zinc/36/86/09/1378368609.db2.gz GUGPSQIKLAOTPK-UHFFFAOYSA-N 0 1 340.210 3.290 10 10 EGCEMN CCN(C)c1ccc(CN2CCc3cc(C(=O)OC)ccc3C2)cc1 ZINC001175821088 1385413626 /nfs/dbraw/zinc/41/36/26/1385413626.db2.gz GJVJUEUZTBFHNY-UHFFFAOYSA-N 0 1 338.451 3.488 10 10 EGCEMN COc1ccc(CN[C@H](CNC(=O)C(F)F)c2ccccc2)cc1C ZINC001732017145 1428232268 /nfs/dbraw/zinc/23/22/68/1428232268.db2.gz CHMBGNTVXOGDHO-MRXNPFEDSA-N 0 1 348.393 3.216 10 10 EGCEMN CC[C@H]([NH2+][C@H]1CN2CCC1CC2)c1cc(Br)ccc1[O-] ZINC000019947273 212089615 /nfs/dbraw/zinc/08/96/15/212089615.db2.gz GKUWLOGOOYQCPK-GJZGRUSLSA-N 0 1 339.277 3.290 10 10 EGCEMN C[C@H](NC(=O)Nc1cccs1)c1ccc(N2CCN(C)CC2)cc1 ZINC000069393056 454101417 /nfs/dbraw/zinc/10/14/17/454101417.db2.gz IKPHOURPLHDKST-AWEZNQCLSA-N 0 1 344.484 3.383 10 10 EGCEMN CC(=O)c1cc(Cl)cc(C[NH+]2CCC(c3ccnn3C)CC2)c1[O-] ZINC000177091546 454821659 /nfs/dbraw/zinc/82/16/59/454821659.db2.gz IAPAQIVTAWSTNY-UHFFFAOYSA-N 0 1 347.846 3.361 10 10 EGCEMN COc1cc(O)c(CN2C[C@@H](c3ccccc3)O[C@@H](C)C2)cc1OC ZINC000245512550 455318045 /nfs/dbraw/zinc/31/80/45/455318045.db2.gz AHFFZMCXDPDGFE-XOBRGWDASA-N 0 1 343.423 3.371 10 10 EGCEMN CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)[C@@H]2COc3ccccc32)c1[O-] ZINC000185605334 455584389 /nfs/dbraw/zinc/58/43/89/455584389.db2.gz IENCFCDWNRBTHR-GTNSWQLSSA-N 0 1 329.371 3.388 10 10 EGCEMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000294591300 455819934 /nfs/dbraw/zinc/81/99/34/455819934.db2.gz HKQOEBFCQZCNNM-ZJUUUORDSA-N 0 1 341.732 3.177 10 10 EGCEMN COc1c([O-])c(C[N@@H+]2CC[C@@H](C(F)(F)F)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000294980161 455834153 /nfs/dbraw/zinc/83/41/53/455834153.db2.gz JSLPJXZKWNXJME-MWLCHTKSSA-N 0 1 348.321 3.472 10 10 EGCEMN COc1c([O-])c(C[N@H+]2CC[C@@H](C(F)(F)F)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000294980161 455834160 /nfs/dbraw/zinc/83/41/60/455834160.db2.gz JSLPJXZKWNXJME-MWLCHTKSSA-N 0 1 348.321 3.472 10 10 EGCEMN CC[C@H]([NH2+][C@@H](C)c1cc(Br)ccc1[O-])[C@H](O)C(F)F ZINC000296307014 455905558 /nfs/dbraw/zinc/90/55/58/455905558.db2.gz GEKCYGNMJPVNTL-JWYUURKGSA-N 0 1 338.192 3.210 10 10 EGCEMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CC[C@@H](C)C2)C1 ZINC000444134523 457858281 /nfs/dbraw/zinc/85/82/81/457858281.db2.gz AHIUYMSEUJUAMX-MRXNPFEDSA-N 0 1 339.483 3.276 10 10 EGCEMN C[C@@H]1CN(Cc2ccc(N(C)C)c(F)c2)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000366790427 457899564 /nfs/dbraw/zinc/89/95/64/457899564.db2.gz ARQYQECWQHVOEE-CLCXKQKWSA-N 0 1 336.451 3.050 10 10 EGCEMN CCCN(C)C(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000435756221 458197634 /nfs/dbraw/zinc/19/76/34/458197634.db2.gz PAOWJPRIBNODEZ-UHFFFAOYSA-N 0 1 327.472 3.276 10 10 EGCEMN Cc1cc(Cl)cc(CN[C@H](c2nnc[nH]2)c2ccccc2)c1O ZINC000372921878 458349304 /nfs/dbraw/zinc/34/93/04/458349304.db2.gz LAXCUNJJGPFTNS-HNNXBMFYSA-N 0 1 328.803 3.351 10 10 EGCEMN O=S(=O)(Nc1ccc(O)c(F)c1)c1cnc(Cl)c(Cl)c1 ZINC000070330146 1292255704 /nfs/dbraw/zinc/25/57/04/1292255704.db2.gz ULTWJUMAPVQGJQ-UHFFFAOYSA-N 0 1 337.159 3.034 10 10 EGCEMN C[N@H+]1CCN(Cc2cc(Cl)cc(Br)c2[O-])CC1(C)C ZINC000708141776 1298238417 /nfs/dbraw/zinc/23/84/17/1298238417.db2.gz WRJIHWRMOXZQLI-UHFFFAOYSA-N 0 1 347.684 3.334 10 10 EGCEMN [O-]c1c(F)cc(Br)cc1C[N@H+]1CCC[C@@]12CCOC2 ZINC000715738569 1298285267 /nfs/dbraw/zinc/28/52/67/1298285267.db2.gz VPMHCDVPELDHIQ-AWEZNQCLSA-N 0 1 330.197 3.049 10 10 EGCEMN COC(=O)c1c(CN2CCCSCC2)c2cc(F)ccc2n1C ZINC000894422745 1308871316 /nfs/dbraw/zinc/87/13/16/1308871316.db2.gz LUFIBBXJZDPSKE-UHFFFAOYSA-N 0 1 336.432 3.043 10 10 EGCEMN O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@H]1CO[C@H](C2CC2)C1 ZINC000858909180 1328888886 /nfs/dbraw/zinc/88/88/86/1328888886.db2.gz MPVJUBHWSXHSHT-YPMHNXCESA-N 0 1 345.226 3.066 10 10 EGCEMN Cc1cc([O-])c(C[NH2+]C[C@@H]2CCC3(CCOCC3)O2)c(Cl)c1 ZINC000922811095 1322624838 /nfs/dbraw/zinc/62/48/38/1322624838.db2.gz NRWDTWNHCMRXND-ZDUSSCGKSA-N 0 1 325.836 3.172 10 10 EGCEMN Cc1cc(CC[NH2+][C@H](C)c2cc(Br)ccc2[O-])nn1C ZINC000926909560 1327770798 /nfs/dbraw/zinc/77/07/98/1327770798.db2.gz GWIMMSRNLGILGV-LLVKDONJSA-N 0 1 338.249 3.090 10 10 EGCEMN C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1ccc2ccccc2c1[O-] ZINC000927038750 1327827118 /nfs/dbraw/zinc/82/71/18/1327827118.db2.gz FXROUQGBXWHNSA-WWTUQBGBSA-N 0 1 345.464 3.304 10 10 EGCEMN C[C@@H]([NH2+]CCOCC(=O)OC(C)(C)C)c1cc(Cl)ccc1[O-] ZINC000866437247 1330112193 /nfs/dbraw/zinc/11/21/93/1330112193.db2.gz CSCPMKSGAMPWJM-LLVKDONJSA-N 0 1 329.824 3.055 10 10 EGCEMN O=C(NCc1cc(Cl)cc(Cl)c1O)C1CC2(CSC2)C1 ZINC000868357910 1330273569 /nfs/dbraw/zinc/27/35/69/1330273569.db2.gz JQKMFRGSKKKXQN-UHFFFAOYSA-N 0 1 332.252 3.458 10 10 EGCEMN COc1ccc(N2CCCN(CCSC(F)(F)F)CC2)cc1 ZINC001307424195 1383988628 /nfs/dbraw/zinc/98/86/28/1383988628.db2.gz PGKNJLDMSSGWNG-UHFFFAOYSA-N 0 1 334.407 3.460 10 10 EGCEMN Cc1cc(C(=O)NC23CCN(CC2)C3)c(C)n1-c1cccc(Cl)c1 ZINC001171227589 1384474361 /nfs/dbraw/zinc/47/43/61/1384474361.db2.gz PTTISKLKVKAMAP-UHFFFAOYSA-N 0 1 343.858 3.326 10 10 EGCEMN C[C@H](N[C@H](C(N)=O)c1ccc(Br)cc1)c1ccccc1O ZINC001175418619 1385281113 /nfs/dbraw/zinc/28/11/13/1385281113.db2.gz MPFVSODFNXKRCC-BONVTDFDSA-N 0 1 349.228 3.032 10 10 EGCEMN CC[C@@H]([NH2+][C@H]1CN2CCC1CC2)c1cc(Br)ccc1[O-] ZINC000019947270 212089603 /nfs/dbraw/zinc/08/96/03/212089603.db2.gz GKUWLOGOOYQCPK-CABCVRRESA-N 0 1 339.277 3.290 10 10 EGCEMN Cn1cc([C@@H]2CCCN2Cc2cc(Br)ccc2O)cn1 ZINC000131803932 454288232 /nfs/dbraw/zinc/28/82/32/454288232.db2.gz KVCQLZOGJBKUCJ-AWEZNQCLSA-N 0 1 336.233 3.225 10 10 EGCEMN CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCc3[nH]ncc32)cc1F ZINC000135441039 454677938 /nfs/dbraw/zinc/67/79/38/454677938.db2.gz OVSBFHQSQZXWAV-CQSZACIVSA-N 0 1 344.434 3.131 10 10 EGCEMN CCn1nc(C)c(N=Cc2c(C)[nH]n(-c3ccc(F)cc3)c2=O)c1C ZINC000106143199 454682073 /nfs/dbraw/zinc/68/20/73/454682073.db2.gz GANJQAGDFMECPI-MHWRWJLKSA-N 0 1 341.390 3.377 10 10 EGCEMN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)c1O ZINC000245609821 455339407 /nfs/dbraw/zinc/33/94/07/455339407.db2.gz NYGVZZAQFFFWRG-SJKOYZFVSA-N 0 1 331.391 3.014 10 10 EGCEMN Cc1nnc([C@H](NCc2c(O)ccc(Cl)c2F)c2ccccc2)[nH]1 ZINC000190941995 455411090 /nfs/dbraw/zinc/41/10/90/455411090.db2.gz RTEQPAJWCUARQI-MRXNPFEDSA-N 0 1 346.793 3.490 10 10 EGCEMN Cc1nc([C@@H](N[C@@H](C)c2cc(F)ccc2O)c2ccccc2)n[nH]1 ZINC000185324999 455540225 /nfs/dbraw/zinc/54/02/25/455540225.db2.gz LTXAFVPUWKGVRI-GTNSWQLSSA-N 0 1 326.375 3.398 10 10 EGCEMN COc1ccc(O)c([C@H](C)NCc2ccn(Cc3ccccc3)n2)c1 ZINC000284380041 455676982 /nfs/dbraw/zinc/67/69/82/455676982.db2.gz OHGRRVNHTSELSR-HNNXBMFYSA-N 0 1 337.423 3.496 10 10 EGCEMN CNC(=O)CC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000293999079 455803200 /nfs/dbraw/zinc/80/32/00/455803200.db2.gz SRBUKKLXBDQIJZ-LBPRGKRZSA-N 0 1 328.815 3.065 10 10 EGCEMN CC(C)(C)OC(=O)N1CC[C@@H](C[NH2+]Cc2c([O-])cccc2Cl)C1 ZINC000230167431 456134436 /nfs/dbraw/zinc/13/44/36/456134436.db2.gz HBFHFQCVMZEDRS-LBPRGKRZSA-N 0 1 340.851 3.392 10 10 EGCEMN CCC[N@@H+](CCc1ccccn1)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000289938498 456188383 /nfs/dbraw/zinc/18/83/83/456188383.db2.gz WZMWIDURCUHAFW-UHFFFAOYSA-N 0 1 345.399 3.159 10 10 EGCEMN Cc1cc(C(=O)N[C@@H]2CCc3nc[nH]c3C2)c(C)n1-c1cccc(C)c1 ZINC000361278412 457677044 /nfs/dbraw/zinc/67/70/44/457677044.db2.gz MBNUBNGFRRCXSZ-MRXNPFEDSA-N 0 1 348.450 3.413 10 10 EGCEMN Cc1cc([O-])c(C[NH2+]C[C@H](n2cccn2)C(F)(F)F)c(Cl)c1 ZINC000527738530 459720159 /nfs/dbraw/zinc/72/01/59/459720159.db2.gz QCVDJUMNLAYUTR-ZDUSSCGKSA-N 0 1 333.741 3.444 10 10 EGCEMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)Nc2cnoc2)C1 ZINC000683442768 550229893 /nfs/dbraw/zinc/22/98/93/550229893.db2.gz PMAPDHRYKINQNO-UHFFFAOYSA-N 0 1 338.411 3.035 10 10 EGCEMN CN(C)c1ccc(CN(C)[C@H]2CCN(c3ccccc3F)C2=O)cc1 ZINC000152850742 1293987291 /nfs/dbraw/zinc/98/72/91/1293987291.db2.gz WXPYLQPFJUKFSQ-IBGZPJMESA-N 0 1 341.430 3.129 10 10 EGCEMN CCCO[C@H]1CC[N@@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000715818178 1298287872 /nfs/dbraw/zinc/28/78/72/1298287872.db2.gz MTHOGWFMFCWMIF-LBPRGKRZSA-N 0 1 332.213 3.295 10 10 EGCEMN COC(=O)c1c(CN2CC[C@@H](OC(C)C)C2)c2cc(F)ccc2n1C ZINC000895075220 1309181828 /nfs/dbraw/zinc/18/18/28/1309181828.db2.gz WOIQGLQYWVZOPQ-CQSZACIVSA-N 0 1 348.418 3.103 10 10 EGCEMN Cc1cc([O-])c(C[NH2+]C[C@@H]2CC[C@@]3(CO[C@@H](C)C3)O2)cc1Cl ZINC000895817922 1309533595 /nfs/dbraw/zinc/53/35/95/1309533595.db2.gz MPTOOVMOTBMASE-RVSPLBMKSA-N 0 1 325.836 3.170 10 10 EGCEMN [O-]c1cccc(Br)c1C[NH2+]C[C@@H]1CCN1C1CCCC1 ZINC000858286185 1328729710 /nfs/dbraw/zinc/72/97/10/1328729710.db2.gz 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CCOc1ccccc1N1CCN(Cc2ccc(OC)cc2O)CC1 ZINC000179515392 1294800488 /nfs/dbraw/zinc/80/04/88/1294800488.db2.gz QMMSMXOZPWZGEG-UHFFFAOYSA-N 0 1 342.439 3.122 10 10 EGCEMN C[C@H]([NH2+]CCC[C@H]1CCOC1=O)c1cc(Br)ccc1[O-] ZINC000872111310 1296737598 /nfs/dbraw/zinc/73/75/98/1296737598.db2.gz CKZMRROGSIIXGC-QWRGUYRKSA-N 0 1 342.233 3.149 10 10 EGCEMN COc1cc(C)cc(CNCc2ccn(Cc3ccccc3)n2)c1O ZINC000894692351 1309024831 /nfs/dbraw/zinc/02/48/31/1309024831.db2.gz FQWFYTUTVGIMNL-UHFFFAOYSA-N 0 1 337.423 3.244 10 10 EGCEMN C[C@@H]1C[C@H](N[C@H]2c3ccccc3CN(C)C2=O)c2c1c(F)ccc2O ZINC000857875041 1328611749 /nfs/dbraw/zinc/61/17/49/1328611749.db2.gz FPRFCVDCCGMUSL-KOXAJKMWSA-N 0 1 340.398 3.383 10 10 EGCEMN C[C@H](N[C@H]1c2ccccc2CN(C)C1=O)c1ccc(Cl)cc1O ZINC000857877006 1328612673 /nfs/dbraw/zinc/61/26/73/1328612673.db2.gz LDBBYCJQLBFBGV-GTNSWQLSSA-N 0 1 330.815 3.410 10 10 EGCEMN Cc1noc([C@H]2OCC[C@H]2[NH2+][C@H](C)c2ccc3ccccc3c2[O-])n1 ZINC000858591882 1328804276 /nfs/dbraw/zinc/80/42/76/1328804276.db2.gz 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CC[C@H]1CCC[C@@]1(C)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC001288334088 1381782570 /nfs/dbraw/zinc/78/25/70/1381782570.db2.gz BTWSDSVFSMPJAH-GHTZIAJQSA-N 0 1 343.515 3.271 10 10 EGCEMN Cc1cc(C(=O)N2CC[C@H](N3CCC3)C2)c(C)n1-c1ccccc1C ZINC001167473689 1383644118 /nfs/dbraw/zinc/64/41/18/1383644118.db2.gz OJDYKLHZZWPDBW-SFHVURJKSA-N 0 1 337.467 3.323 10 10 EGCEMN COc1ccc(N2CCN(C[C@H]3CCCC4(CCC4)O3)CC2)cc1F ZINC001168067846 1383809744 /nfs/dbraw/zinc/80/97/44/1383809744.db2.gz LOYBYIKTQSFTTA-QGZVFWFLSA-N 0 1 348.462 3.448 10 10 EGCEMN COc1ccc(N2CCN(CCSC(C)(C)C)CC2)c(OC)c1 ZINC001175522462 1385320630 /nfs/dbraw/zinc/32/06/30/1385320630.db2.gz HIUFFCWUHOLISL-UHFFFAOYSA-N 0 1 338.517 3.358 10 10 EGCEMN OCc1ccc(F)c(CN(Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000528420490 313089494 /nfs/dbraw/zinc/08/94/94/313089494.db2.gz VKKBASBEDHPICR-GOSISDBHSA-N 0 1 345.414 3.205 10 10 EGCEMN CCn1nc(C)c(N=Cc2c(C)[nH]n(-c3ccc(F)cc3)c2=O)c1C ZINC000004177814 452794821 /nfs/dbraw/zinc/79/48/21/452794821.db2.gz 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ZINC000361278411 457677059 /nfs/dbraw/zinc/67/70/59/457677059.db2.gz MBNUBNGFRRCXSZ-INIZCTEOSA-N 0 1 348.450 3.413 10 10 EGCEMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CCC2(C)C)C1 ZINC000579551096 459248327 /nfs/dbraw/zinc/24/83/27/459248327.db2.gz ANDLMYCNLPPWDM-UHFFFAOYSA-N 0 1 339.483 3.419 10 10 EGCEMN COC(=O)[C@@H]1CC[N@H+](Cc2cc3oc4ccccc4c3cc2[O-])C1 ZINC000726962592 574621592 /nfs/dbraw/zinc/62/15/92/574621592.db2.gz ZZXWQMFRVSVGEK-GFCCVEGCSA-N 0 1 325.364 3.287 10 10 EGCEMN COC(=O)[C@@H]1CC[N@@H+](Cc2cc3oc4ccccc4c3cc2[O-])C1 ZINC000726962592 574621595 /nfs/dbraw/zinc/62/15/95/574621595.db2.gz ZZXWQMFRVSVGEK-GFCCVEGCSA-N 0 1 325.364 3.287 10 10 EGCEMN CN1CCC[C@H](CNC(=O)C2=CC(=O)CS2)[C@H]1c1cccs1 ZINC000743567312 576812253 /nfs/dbraw/zinc/81/22/53/576812253.db2.gz OUULBIOEZSYBRY-ABAIWWIYSA-N 0 1 336.482 3.328 10 10 EGCEMN CC[N@H+](CCn1cc(C)cn1)Cc1cc(Br)ccc1[O-] ZINC000743872884 576818124 /nfs/dbraw/zinc/81/81/24/576818124.db2.gz DQPIOYMJQCMIER-UHFFFAOYSA-N 0 1 338.249 3.182 10 10 EGCEMN CC[N@@H+](CCn1cc(C)cn1)Cc1cc(Br)ccc1[O-] ZINC000743872884 576818125 /nfs/dbraw/zinc/81/81/25/576818125.db2.gz DQPIOYMJQCMIER-UHFFFAOYSA-N 0 1 338.249 3.182 10 10 EGCEMN C[N@@H+](Cc1cc(Cl)cc(Br)c1[O-])[C@@H]1CCCOC1 ZINC000708216427 1298237509 /nfs/dbraw/zinc/23/75/09/1298237509.db2.gz SHMJIZWYQSTHEZ-LLVKDONJSA-N 0 1 334.641 3.419 10 10 EGCEMN COc1cc(C)cc(CN[C@H](c2nnc3ccccn32)C(C)C)c1O ZINC000894388638 1306371802 /nfs/dbraw/zinc/37/18/02/1306371802.db2.gz IUXYGLNTZWKYJR-KRWDZBQOSA-N 0 1 340.427 3.239 10 10 EGCEMN CCN(CC)c1ccc(CNCc2cnc(Br)cn2)cc1 ZINC000895409015 1309323091 /nfs/dbraw/zinc/32/30/91/1309323091.db2.gz RIKNVYIXUCIAAZ-UHFFFAOYSA-N 0 1 349.276 3.375 10 10 EGCEMN C[N@H+](Cc1ccns1)Cc1cc(Br)cc(F)c1[O-] ZINC000895452471 1309344832 /nfs/dbraw/zinc/34/48/32/1309344832.db2.gz WTJNMRNPFAHISV-UHFFFAOYSA-N 0 1 331.210 3.382 10 10 EGCEMN C[N@@H+](Cc1ccns1)Cc1cc(Br)cc(F)c1[O-] ZINC000895452471 1309344841 /nfs/dbraw/zinc/34/48/41/1309344841.db2.gz WTJNMRNPFAHISV-UHFFFAOYSA-N 0 1 331.210 3.382 10 10 EGCEMN [O-]c1c(F)cc(Br)cc1C[N@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000895845892 1309554176 /nfs/dbraw/zinc/55/41/76/1309554176.db2.gz RGSBDAGGDMHUQZ-QMTHXVAHSA-N 0 1 344.224 3.295 10 10 EGCEMN COC(=O)C1=CC[C@@H]([NH2+][C@@H](C)c2ccc(Br)cc2[O-])C1 ZINC000858473506 1328771127 /nfs/dbraw/zinc/77/11/27/1328771127.db2.gz OXKBMHUEEIFTKX-JOYOIKCWSA-N 0 1 340.217 3.067 10 10 EGCEMN COC(=O)C1=CC[C@H]([NH2+][C@H](C)c2cc(Br)ccc2[O-])C1 ZINC000858473442 1328771643 /nfs/dbraw/zinc/77/16/43/1328771643.db2.gz OBPDLFVPNHMTAH-SKDRFNHKSA-N 0 1 340.217 3.067 10 10 EGCEMN CCO[C@@]1(C)C[C@H]1N[C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000858502518 1328781727 /nfs/dbraw/zinc/78/17/27/1328781727.db2.gz MCUMBYCENMZARB-XWIAVFTESA-N 0 1 338.879 3.395 10 10 EGCEMN COc1ccc(N2CC[C@H](NCc3c(Cl)n[nH]c3C3CC3)C2)cc1 ZINC000922236962 1322484581 /nfs/dbraw/zinc/48/45/81/1322484581.db2.gz GBUQNKHGPUHAII-ZDUSSCGKSA-N 0 1 346.862 3.318 10 10 EGCEMN Clc1ccnc2c1CC[C@@H]2NCc1ccc(N2CCOCC2)cc1 ZINC000924750955 1323145921 /nfs/dbraw/zinc/14/59/21/1323145921.db2.gz HSTAYXNXBZXTAM-SFHVURJKSA-N 0 1 343.858 3.349 10 10 EGCEMN [O-]c1cccc(Br)c1C[N@H+]1CCCCC[C@H]1CCO ZINC000862360162 1329477737 /nfs/dbraw/zinc/47/77/37/1329477737.db2.gz CCAWKJXJNXOTPW-LBPRGKRZSA-N 0 1 328.250 3.282 10 10 EGCEMN [O-]c1cccc(Br)c1C[N@@H+]1CCCCC[C@H]1CCO ZINC000862360162 1329477739 /nfs/dbraw/zinc/47/77/39/1329477739.db2.gz CCAWKJXJNXOTPW-LBPRGKRZSA-N 0 1 328.250 3.282 10 10 EGCEMN COc1ccc(N2CCN(C[C@H]3CCC(C)(C)CO3)CC2)c(OC)c1 ZINC001197104515 1368744522 /nfs/dbraw/zinc/74/45/22/1368744522.db2.gz GKTQRIWAFCTZFO-QGZVFWFLSA-N 0 1 348.487 3.031 10 10 EGCEMN O=C(Nc1ccc(F)c(Br)c1)c1c(F)ccc(O)c1O ZINC001160908197 1382230244 /nfs/dbraw/zinc/23/02/44/1382230244.db2.gz NNVQCZHVLXBVMF-UHFFFAOYSA-N 0 1 344.111 3.391 10 10 EGCEMN Cc1cc(CN2CCCN(C(=O)OCC(C)C)CC2)ccc1N(C)C ZINC001167284342 1383584671 /nfs/dbraw/zinc/58/46/71/1383584671.db2.gz WPKCNCOATGAHOJ-UHFFFAOYSA-N 0 1 347.503 3.361 10 10 EGCEMN C/C=C/CNC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000629034200 460630707 /nfs/dbraw/zinc/63/07/07/460630707.db2.gz SKVSWTGKELSMIV-SNAWJCMRSA-N 0 1 325.456 3.100 10 10 EGCEMN C[C@H]([NH2+][C@H]1CCCC[C@@H]1CO)c1cc(Br)ccc1[O-] ZINC000185506773 455569827 /nfs/dbraw/zinc/56/98/27/455569827.db2.gz BGXFZSRBFDDCNB-WDMOLILDSA-N 0 1 328.250 3.356 10 10 EGCEMN CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])C12CCOCC2 ZINC000185662869 455591626 /nfs/dbraw/zinc/59/16/26/455591626.db2.gz DKUXZHJTSHWNKA-HZPDHXFCSA-N 0 1 325.836 3.109 10 10 EGCEMN CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000295384769 455847925 /nfs/dbraw/zinc/84/79/25/455847925.db2.gz PHODFIPPFQIZJE-LBPRGKRZSA-N 0 1 342.842 3.313 10 10 EGCEMN CC[C@@H]([NH2+]C[C@H](O)C(F)(F)F)c1cc(Br)ccc1[O-] ZINC000229549224 456129100 /nfs/dbraw/zinc/12/91/00/456129100.db2.gz OQRGPDDYLOUEDD-KOLCDFICSA-N 0 1 342.155 3.119 10 10 EGCEMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CC23CC3)C1 ZINC000424977654 457393743 /nfs/dbraw/zinc/39/37/43/457393743.db2.gz WKYUSJITHBAUFA-LJQANCHMSA-N 0 1 337.467 3.077 10 10 EGCEMN C[C@@H]1CN(Cc2cc(Cl)ccc2O)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000366790792 457899995 /nfs/dbraw/zinc/89/99/95/457899995.db2.gz BFGNNARNFBOMLC-XNJGSVPQSA-N 0 1 325.836 3.204 10 10 EGCEMN C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2[O-])C[C@@]2(CCO[C@H](C)C2)O1 ZINC000366790792 457900003 /nfs/dbraw/zinc/90/00/03/457900003.db2.gz BFGNNARNFBOMLC-XNJGSVPQSA-N 0 1 325.836 3.204 10 10 EGCEMN C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2[O-])C[C@@]2(CCO[C@H](C)C2)O1 ZINC000366790792 457900007 /nfs/dbraw/zinc/90/00/07/457900007.db2.gz BFGNNARNFBOMLC-XNJGSVPQSA-N 0 1 325.836 3.204 10 10 EGCEMN COc1c([O-])c(C[NH2+][C@@H]2CCCc3nc(C)sc32)ccc1[N+](=O)[O-] ZINC000373209924 458431186 /nfs/dbraw/zinc/43/11/86/458431186.db2.gz XWYFQQBESXWDKD-LLVKDONJSA-N 0 1 349.412 3.241 10 10 EGCEMN Cc1cc([O-])c(C[NH2+]C[C@@H](n2cccn2)C(F)(F)F)c(Cl)c1 ZINC000527738528 459720231 /nfs/dbraw/zinc/72/02/31/459720231.db2.gz QCVDJUMNLAYUTR-CYBMUJFWSA-N 0 1 333.741 3.444 10 10 EGCEMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCC(C)(C)F)C1 ZINC000633721951 461219447 /nfs/dbraw/zinc/21/94/47/461219447.db2.gz NUHCUVPFXZDMOA-UHFFFAOYSA-N 0 1 345.462 3.272 10 10 EGCEMN C[C@@H]1CN(Cc2cc3c(cc2O)CCC3)CCN1C(=O)OC(C)(C)C ZINC000742157913 576753211 /nfs/dbraw/zinc/75/32/11/576753211.db2.gz AISDKRRJNSDPQJ-CQSZACIVSA-N 0 1 346.471 3.322 10 10 EGCEMN CN(C)c1ccc(CN2CCC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000154880526 1294075091 /nfs/dbraw/zinc/07/50/91/1294075091.db2.gz QMWIPPVISLMCLN-INIZCTEOSA-N 0 1 333.476 3.242 10 10 EGCEMN CC[N@@H+](CCCN(C)C)Cc1cc(Br)cc(F)c1[O-] ZINC000715739965 1298285632 /nfs/dbraw/zinc/28/56/32/1298285632.db2.gz YBUYFTNQGQAHGF-UHFFFAOYSA-N 0 1 333.245 3.067 10 10 EGCEMN CC[N@H+](CCCN(C)C)Cc1cc(Br)cc(F)c1[O-] ZINC000715739965 1298285626 /nfs/dbraw/zinc/28/56/26/1298285626.db2.gz YBUYFTNQGQAHGF-UHFFFAOYSA-N 0 1 333.245 3.067 10 10 EGCEMN COC(=O)c1cnc(CN[C@H](C)Cc2ccc(N(C)C)cc2C)s1 ZINC000895015816 1309158264 /nfs/dbraw/zinc/15/82/64/1309158264.db2.gz ZFARZPCYBJUNMU-CYBMUJFWSA-N 0 1 347.484 3.025 10 10 EGCEMN [O-]c1cccc(Br)c1C[NH2+]CCCC1CCOCC1 ZINC000858169925 1328702766 /nfs/dbraw/zinc/70/27/66/1328702766.db2.gz FDHFYBIJJPNIIP-UHFFFAOYSA-N 0 1 328.250 3.451 10 10 EGCEMN CCN(CC)[C@@H](CNC(=O)NCc1c(O)cccc1F)c1ccco1 ZINC000915077715 1319418229 /nfs/dbraw/zinc/41/82/29/1319418229.db2.gz BXYRGPCYPFFPEO-HNNXBMFYSA-N 0 1 349.406 3.007 10 10 EGCEMN [O-]c1cccc(Br)c1C[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000862252983 1329471874 /nfs/dbraw/zinc/47/18/74/1329471874.db2.gz YZKLRMJVCKOWIA-BXUZGUMPSA-N 0 1 326.234 3.156 10 10 EGCEMN [O-]c1cccc(Br)c1C[N@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000862252983 1329471875 /nfs/dbraw/zinc/47/18/75/1329471875.db2.gz YZKLRMJVCKOWIA-BXUZGUMPSA-N 0 1 326.234 3.156 10 10 EGCEMN COc1c([O-])c(C[NH2+][C@@H](c2ccccn2)C2CCC2)ccc1[N+](=O)[O-] ZINC000862478285 1329489527 /nfs/dbraw/zinc/48/95/27/1329489527.db2.gz URMIFHIPYQSLTC-MRXNPFEDSA-N 0 1 343.383 3.335 10 10 EGCEMN C[NH+]1CCC(n2cc(NCc3c([O-])ccc(Cl)c3F)cn2)CC1 ZINC000865702449 1329730754 /nfs/dbraw/zinc/73/07/54/1329730754.db2.gz CIDYPBMJGXVFHG-UHFFFAOYSA-N 0 1 338.814 3.260 10 10 EGCEMN C[C@H]([NH2+]CCOCC(=O)OC(C)(C)C)c1ccc(Cl)cc1[O-] ZINC000866437764 1330112642 /nfs/dbraw/zinc/11/26/42/1330112642.db2.gz NYIOZIBQKLSCOR-NSHDSACASA-N 0 1 329.824 3.055 10 10 EGCEMN Cc1cc(CC(=O)N2CCN(C)C(C)(C)C2)c(C)n1-c1ccccc1 ZINC001132989032 1375696667 /nfs/dbraw/zinc/69/66/67/1375696667.db2.gz WLUMTIWTMZTEKJ-UHFFFAOYSA-N 0 1 339.483 3.189 10 10 EGCEMN O=C(C=Cc1ccc(O)c(O)c1)Nc1ccc(Nc2ccncc2)cc1 ZINC001144595564 1378749496 /nfs/dbraw/zinc/74/94/96/1378749496.db2.gz HWSOXIDYOREKFG-KRXBUXKQSA-N 0 1 347.374 3.310 10 10 EGCEMN O=C(NCc1ccc2nc[nH]c2c1)c1cc2cc(O)c(O)cc2s1 ZINC001158844142 1381429100 /nfs/dbraw/zinc/42/91/00/1381429100.db2.gz BLFUXUFLMOXCSL-UHFFFAOYSA-N 0 1 339.376 3.119 10 10 EGCEMN Brc1cnc(CNCc2ccc(N3CCCC3)cc2)cn1 ZINC001334375394 1390527030 /nfs/dbraw/zinc/52/70/30/1390527030.db2.gz OVLYLMFVFMFUFK-UHFFFAOYSA-N 0 1 347.260 3.129 10 10 EGCEMN Cn1ncc(C(F)(F)F)c1CNCc1ccc(N2CCCC2)cc1 ZINC001351316566 1391625757 /nfs/dbraw/zinc/62/57/57/1391625757.db2.gz YRFBMYUAFNQDCZ-UHFFFAOYSA-N 0 1 338.377 3.329 10 10 EGCEMN Cc1nc(C)n(C[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3[O-])C2)n1 ZINC000121952675 454498712 /nfs/dbraw/zinc/49/87/12/454498712.db2.gz LHIJLGJIVJVTJP-CQSZACIVSA-N 0 1 334.851 3.166 10 10 EGCEMN Cc1nc(C)n(C[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3[O-])C2)n1 ZINC000121952675 454498715 /nfs/dbraw/zinc/49/87/15/454498715.db2.gz LHIJLGJIVJVTJP-CQSZACIVSA-N 0 1 334.851 3.166 10 10 EGCEMN Cc1cc(C(=O)Nc2nc(C3CCC3)n[nH]2)c(C)n1-c1ccccn1 ZINC000184613652 455412963 /nfs/dbraw/zinc/41/29/63/455412963.db2.gz QEYXNWSNJKIENK-UHFFFAOYSA-N 0 1 336.399 3.127 10 10 EGCEMN Cc1cc(C(=O)Nc2n[nH]c(C3CCC3)n2)c(C)n1-c1ccccn1 ZINC000184613652 455412967 /nfs/dbraw/zinc/41/29/67/455412967.db2.gz QEYXNWSNJKIENK-UHFFFAOYSA-N 0 1 336.399 3.127 10 10 EGCEMN C[C@@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)c1cc(Cl)ccc1[O-] ZINC000185060766 455494079 /nfs/dbraw/zinc/49/40/79/455494079.db2.gz NJNNJYDDPXLIMG-TZMCWYRMSA-N 0 1 332.835 3.155 10 10 EGCEMN Cc1nc([C@H](N[C@H](C)c2cc(F)ccc2O)c2ccccc2)n[nH]1 ZINC000185325019 455540701 /nfs/dbraw/zinc/54/07/01/455540701.db2.gz LTXAFVPUWKGVRI-PIGZYNQJSA-N 0 1 326.375 3.398 10 10 EGCEMN Cc1nocc1CNCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000293733948 455795452 /nfs/dbraw/zinc/79/54/52/455795452.db2.gz ZMXUPBWJLJFYIB-STQMWFEESA-N 0 1 333.407 3.026 10 10 EGCEMN C[C@H]([NH2+][C@@H]1C[C@H]2OCCC[C@H]12)c1ccc(Br)cc1[O-] ZINC000187300045 455893440 /nfs/dbraw/zinc/89/34/40/455893440.db2.gz NUTVJSMJNMXEHY-XRFFLINXSA-N 0 1 326.234 3.373 10 10 EGCEMN COC(=O)c1cnc(S[C@H]2CCN(Cc3ccccc3)C2)s1 ZINC000298315377 456422785 /nfs/dbraw/zinc/42/27/85/456422785.db2.gz RCJVBAILBBGNHW-ZDUSSCGKSA-N 0 1 334.466 3.296 10 10 EGCEMN Cc1cc(Cl)cc(CN2C[C@@H](C)O[C@@]3(CCCOC3)C2)c1O ZINC000373634855 458560011 /nfs/dbraw/zinc/56/00/11/458560011.db2.gz GEFSISIJAOKJIM-DYVFJYSZSA-N 0 1 325.836 3.124 10 10 EGCEMN CCOc1ccc(O)c(CN2CCC[C@H](OCC(F)(F)F)C2)c1 ZINC000725846366 1298373947 /nfs/dbraw/zinc/37/39/47/1298373947.db2.gz AQUCISUTXQIYJN-AWEZNQCLSA-N 0 1 333.350 3.334 10 10 EGCEMN CC[C@@H]([NH2+]CC[C@@H](O)C(F)F)c1ccc(C(F)(F)F)cc1[O-] ZINC000866442747 1330112780 /nfs/dbraw/zinc/11/27/80/1330112780.db2.gz RJDLEVDSGCOJKG-GHMZBOCLSA-N 0 1 327.293 3.468 10 10 EGCEMN [O-]c1c(F)cc(Br)cc1C[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000895776272 1309513821 /nfs/dbraw/zinc/51/38/21/1309513821.db2.gz AYLJMNMNDPLQJI-AOOOYVTPSA-N 0 1 332.238 3.089 10 10 EGCEMN CN(C)c1ccc(/C=C\CN2CC[C@](CO)(C(F)(F)F)C2)cc1 ZINC000895836938 1309547070 /nfs/dbraw/zinc/54/70/70/1309547070.db2.gz QHVJOUGKILDCHS-QGZUEGPWSA-N 0 1 328.378 3.013 10 10 EGCEMN O=C(NC[C@H]1CCCCN1C1CC1)c1cc2cc(O)c(O)cc2s1 ZINC000897576908 1310390908 /nfs/dbraw/zinc/39/09/08/1310390908.db2.gz PRSVBHLEDNMIJM-CYBMUJFWSA-N 0 1 346.452 3.059 10 10 EGCEMN CCC[N@H+](Cc1ccccc1O)C[C@H](O)CC[C@@H](O)c1ccccc1 ZINC000929753637 1328688090 /nfs/dbraw/zinc/68/80/90/1328688090.db2.gz SYOCLHUYDZEXLI-TZIWHRDSSA-N 0 1 343.467 3.479 10 10 EGCEMN C[C@@H](O)[C@@H]([NH2+]Cc1c([O-])cccc1Br)c1ccccc1 ZINC000858195733 1328709417 /nfs/dbraw/zinc/70/94/17/1328709417.db2.gz AQWMSZLEIHDSJM-BDJLRTHQSA-N 0 1 336.229 3.366 10 10 EGCEMN Cc1nnsc1[C@@H](C)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000930210489 1328812650 /nfs/dbraw/zinc/81/26/50/1328812650.db2.gz MVZZODFANOKZIL-CHWSQXEVSA-N 0 1 332.473 3.095 10 10 EGCEMN C[C@H](NC(=O)NCC[N@@H+](C)Cc1ccc(F)cc1)c1ccccc1O ZINC000868335921 1330272146 /nfs/dbraw/zinc/27/21/46/1330272146.db2.gz MILLOFUCQGRQQC-AWEZNQCLSA-N 0 1 345.418 3.024 10 10 EGCEMN C[C@H](NC(=O)NCCN(C)Cc1ccc(F)cc1)c1ccccc1O ZINC000868335921 1330272150 /nfs/dbraw/zinc/27/21/50/1330272150.db2.gz MILLOFUCQGRQQC-AWEZNQCLSA-N 0 1 345.418 3.024 10 10 EGCEMN Cc1cc(CN2CCC[N@H+](Cc3c([O-])cc(C)cc3Cl)CC2)no1 ZINC001325289221 1387929461 /nfs/dbraw/zinc/92/94/61/1387929461.db2.gz MPLVMEDVDFXNLV-UHFFFAOYSA-N 0 1 349.862 3.358 10 10 EGCEMN Cc1cc(CN2CCC[N@@H+](Cc3c([O-])cc(C)cc3Cl)CC2)no1 ZINC001325289221 1387929464 /nfs/dbraw/zinc/92/94/64/1387929464.db2.gz MPLVMEDVDFXNLV-UHFFFAOYSA-N 0 1 349.862 3.358 10 10 EGCEMN C[NH+](C)CCc1cccc(C(=O)NCc2cccc(Cl)c2[O-])c1 ZINC001159041428 1381535527 /nfs/dbraw/zinc/53/55/27/1381535527.db2.gz MNJSDMCBAODNHT-UHFFFAOYSA-N 0 1 332.831 3.080 10 10 EGCEMN CC(C)C[C@@H](C)CC(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC001288334597 1381782245 /nfs/dbraw/zinc/78/22/45/1381782245.db2.gz LKVXLCOENKIFEP-QGZVFWFLSA-N 0 1 331.504 3.127 10 10 EGCEMN CCOC(=O)[C@H](C(=O)NCc1cc(Cl)cc(Cl)c1O)C(C)C ZINC001160600673 1382149916 /nfs/dbraw/zinc/14/99/16/1382149916.db2.gz XHFNMIUFQOQPBM-LBPRGKRZSA-N 0 1 348.226 3.151 10 10 EGCEMN Cc1cc(C(=O)N2CC[C@@H](N3CCC3)C2)c(C)n1-c1ccccc1C ZINC001167473681 1383643820 /nfs/dbraw/zinc/64/38/20/1383643820.db2.gz OJDYKLHZZWPDBW-GOSISDBHSA-N 0 1 337.467 3.323 10 10 EGCEMN Cc1cc(C2(NCc3ccc(N4CCCC4)cc3)CCOCC2)on1 ZINC001334908259 1390618379 /nfs/dbraw/zinc/61/83/79/1390618379.db2.gz VBZYXVCIDLHACI-UHFFFAOYSA-N 0 1 341.455 3.379 10 10 EGCEMN O=C1CCCN1C[C@@H](NCc1ccc2c(c1)CCO2)c1ccccc1 ZINC000054175652 214221412 /nfs/dbraw/zinc/22/14/12/214221412.db2.gz VBFQZPPAOBFZDR-LJQANCHMSA-N 0 1 336.435 3.075 10 10 EGCEMN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1occc1CN(C)C ZINC000328590122 258044319 /nfs/dbraw/zinc/04/43/19/258044319.db2.gz DGZLRMUEKCBQTC-UHFFFAOYSA-N 0 1 329.444 3.070 10 10 EGCEMN CCCN(CC(=O)Nc1ccccc1OC)Cc1ccccc1O ZINC000069009929 454072976 /nfs/dbraw/zinc/07/29/76/454072976.db2.gz QABCSJQLYKWJEX-UHFFFAOYSA-N 0 1 328.412 3.252 10 10 EGCEMN CC[C@@H]([NH2+]CC1(C)OCCCO1)c1cc(Br)ccc1[O-] ZINC000190644391 455358541 /nfs/dbraw/zinc/35/85/41/455358541.db2.gz MNBLEWAGVUKJEQ-CYBMUJFWSA-N 0 1 344.249 3.349 10 10 EGCEMN COc1cc(O)c(CN2C[C@H](C)O[C@@H](c3ccccc3)C2)cc1OC ZINC000159932068 455416475 /nfs/dbraw/zinc/41/64/75/455416475.db2.gz AHFFZMCXDPDGFE-VBKZILBWSA-N 0 1 343.423 3.371 10 10 EGCEMN CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc3ccccc3c1[O-])CC2 ZINC000185995463 455670735 /nfs/dbraw/zinc/67/07/35/455670735.db2.gz FODLCONYDPQDGP-ZFWWWQNUSA-N 0 1 336.439 3.365 10 10 EGCEMN C[C@@H]([NH2+]Cc1cccc(N2CCOCC2)n1)c1cc(Cl)ccc1[O-] ZINC000274753894 456264635 /nfs/dbraw/zinc/26/46/35/456264635.db2.gz BTHKKFPVFOMZQC-CYBMUJFWSA-N 0 1 347.846 3.128 10 10 EGCEMN O=c1[nH]n2c([nH]c3c(c2=O)CCCC3)c1N=Nc1ccccc1F ZINC000334159019 456306504 /nfs/dbraw/zinc/30/65/04/456306504.db2.gz CBEZKHXPQVTDGB-UHFFFAOYSA-N 0 1 327.319 3.162 10 10 EGCEMN C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000277414946 456816867 /nfs/dbraw/zinc/81/68/67/456816867.db2.gz IPIYQFTWJAVAEF-WFASDCNBSA-N 0 1 338.423 3.266 10 10 EGCEMN CCN(C(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2)C1CC1 ZINC000435625410 458175898 /nfs/dbraw/zinc/17/58/98/458175898.db2.gz IAUVHTWBQFKWMA-UHFFFAOYSA-N 0 1 339.483 3.419 10 10 EGCEMN CC[C@@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@]2(CCOC2)O1 ZINC000376635785 458357992 /nfs/dbraw/zinc/35/79/92/458357992.db2.gz ZDBFWACDCJLXSA-CJNGLKHVSA-N 0 1 346.254 3.469 10 10 EGCEMN CC[C@@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@]2(CCOC2)O1 ZINC000376635785 458357994 /nfs/dbraw/zinc/35/79/94/458357994.db2.gz ZDBFWACDCJLXSA-CJNGLKHVSA-N 0 1 346.254 3.469 10 10 EGCEMN COc1ccc(CN2CC[C@H]2C[NH2+]Cc2c([O-])cccc2Cl)cc1 ZINC000527775362 459732562 /nfs/dbraw/zinc/73/25/62/459732562.db2.gz SRUMHGAKCDVQGW-HNNXBMFYSA-N 0 1 346.858 3.418 10 10 EGCEMN CC[C@H](NCc1cnn(CC)n1)c1ccc(C(F)(F)F)cc1O ZINC000527922161 459774253 /nfs/dbraw/zinc/77/42/53/459774253.db2.gz CKTMOJOOYCAGJY-ZDUSSCGKSA-N 0 1 328.338 3.263 10 10 EGCEMN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000528272505 459801172 /nfs/dbraw/zinc/80/11/72/459801172.db2.gz BBTRHQJFFXLBIU-YDEXJTGXSA-N 0 1 347.242 3.310 10 10 EGCEMN CN(C)c1ccc(CN2CCN(c3nc4ccccc4o3)CC2)cc1 ZINC000179500886 1294799349 /nfs/dbraw/zinc/79/93/49/1294799349.db2.gz OIADOSVVMITXBZ-UHFFFAOYSA-N 0 1 336.439 3.216 10 10 EGCEMN Cc1cc([O-])c(C[NH2+]C[C@@H]2CC[C@@]3(CO[C@H](C)C3)O2)c(Cl)c1 ZINC000886330327 1303436332 /nfs/dbraw/zinc/43/63/32/1303436332.db2.gz QQCVWNLHSAIGKH-IIYDPXPESA-N 0 1 325.836 3.170 10 10 EGCEMN C[C@@H]1C[N@@H+](Cc2cc(F)cc(F)c2[O-])CC[C@@H](C(F)(F)F)O1 ZINC000895477016 1309359038 /nfs/dbraw/zinc/35/90/38/1309359038.db2.gz PGUMFKYXRBGOBY-PELKAZGASA-N 0 1 325.277 3.212 10 10 EGCEMN CC[C@H](COCC1CC1)[NH2+]Cc1c([O-])cccc1Br ZINC000858186441 1328706911 /nfs/dbraw/zinc/70/69/11/1328706911.db2.gz BXYSKWIZTKWSJZ-GFCCVEGCSA-N 0 1 328.250 3.450 10 10 EGCEMN CCCOc1cncc(NCc2ccc(N3CCN(C)CC3)cc2)c1 ZINC000858255003 1328723734 /nfs/dbraw/zinc/72/37/34/1328723734.db2.gz MXHZXZBHXZFPJC-UHFFFAOYSA-N 0 1 340.471 3.234 10 10 EGCEMN Cc1cc(CC[NH2+][C@H](C)c2ccc(Br)cc2[O-])nn1C ZINC000926908746 1327770933 /nfs/dbraw/zinc/77/09/33/1327770933.db2.gz BPZLSAYHLAZGGR-LLVKDONJSA-N 0 1 338.249 3.090 10 10 EGCEMN C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1ccc2ccccc2c1[O-] ZINC000927038748 1327826890 /nfs/dbraw/zinc/82/68/90/1327826890.db2.gz FXROUQGBXWHNSA-OHRKKDJYSA-N 0 1 345.464 3.304 10 10 EGCEMN CC[C@H]([NH2+]CC[C@@H](O)C(F)F)c1ccc(C(F)(F)F)cc1[O-] ZINC000866442750 1330112856 /nfs/dbraw/zinc/11/28/56/1330112856.db2.gz RJDLEVDSGCOJKG-WDEREUQCSA-N 0 1 327.293 3.468 10 10 EGCEMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@]12CCC[C@H]1OCC2 ZINC000868357300 1330273553 /nfs/dbraw/zinc/27/35/53/1330273553.db2.gz SZFNVXWOZVFIDX-DOMZBBRYSA-N 0 1 330.211 3.274 10 10 EGCEMN C[C@@H](N[C@@H](C(N)=O)c1ccc(Br)cc1)c1ccccc1O ZINC001197003904 1368729503 /nfs/dbraw/zinc/72/95/03/1368729503.db2.gz MPFVSODFNXKRCC-MEBBXXQBSA-N 0 1 349.228 3.032 10 10 EGCEMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001155869188 1380500871 /nfs/dbraw/zinc/50/08/71/1380500871.db2.gz JVILEPIODAPCSF-UHFFFAOYSA-N 0 1 342.403 3.142 10 10 EGCEMN CN(C)c1ccc(CN(C)[C@@H]2CCCN(c3ccccc3)C2=O)cc1 ZINC001167387351 1383619987 /nfs/dbraw/zinc/61/99/87/1383619987.db2.gz RKVWUNQUFYNNJB-HXUWFJFHSA-N 0 1 337.467 3.380 10 10 EGCEMN CCOc1ccc(N2CCN(C[C@H]3CC4(CCC4)CO3)CC2)cc1 ZINC001168331240 1383875190 /nfs/dbraw/zinc/87/51/90/1383875190.db2.gz AFGOGELIFKIIBF-LJQANCHMSA-N 0 1 330.472 3.167 10 10 EGCEMN CCC(C)(C)[C@@H](C)NC(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC001312999035 1384385233 /nfs/dbraw/zinc/38/52/33/1384385233.db2.gz MBJUSWFTCRHBOH-MRXNPFEDSA-N 0 1 346.519 3.062 10 10 EGCEMN COC[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2[O-])CC1 ZINC001350620866 1391491969 /nfs/dbraw/zinc/49/19/69/1391491969.db2.gz ZUMCCIQAGSSHII-GFCCVEGCSA-N 0 1 328.250 3.403 10 10 EGCEMN COC[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2[O-])CC1 ZINC001350620866 1391491972 /nfs/dbraw/zinc/49/19/72/1391491972.db2.gz ZUMCCIQAGSSHII-GFCCVEGCSA-N 0 1 328.250 3.403 10 10 EGCEMN Cc1cnc(CC[N@H+](C)Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])s1 ZINC000093807185 454736875 /nfs/dbraw/zinc/73/68/75/454736875.db2.gz UXDWXIQIEQQTGT-UHFFFAOYSA-N 0 1 341.820 3.393 10 10 EGCEMN C[C@H]([NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C)c1cc(F)ccc1[O-] ZINC000248499587 455717995 /nfs/dbraw/zinc/71/79/95/455717995.db2.gz MWEQBOKLJBJNGG-YZVOILCLSA-N 0 1 343.446 3.488 10 10 EGCEMN CC(=O)c1cc(F)cc(C[NH+]2CCC3(CCC(O)CC3)CC2)c1[O-] ZINC000295595695 455854527 /nfs/dbraw/zinc/85/45/27/455854527.db2.gz BVXDZDJRNOYXOU-UHFFFAOYSA-N 0 1 335.419 3.251 10 10 EGCEMN C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000277414937 456817391 /nfs/dbraw/zinc/81/73/91/456817391.db2.gz IPIYQFTWJAVAEF-IUODEOHRSA-N 0 1 338.423 3.266 10 10 EGCEMN O=C([O-])c1csc(C[NH2+]Cc2ccc(N3CCCCC3)cc2)n1 ZINC000277521984 456851661 /nfs/dbraw/zinc/85/16/61/456851661.db2.gz YSXCLCUKTDWOLZ-UHFFFAOYSA-N 0 1 331.441 3.121 10 10 EGCEMN COc1cc(Cl)cc(CN[C@@H](c2nnc[nH]2)c2ccccc2)c1O ZINC000372921876 458349616 /nfs/dbraw/zinc/34/96/16/458349616.db2.gz KZLZHMYTVNBUTL-OAHLLOKOSA-N 0 1 344.802 3.052 10 10 EGCEMN [O-]c1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1Cl ZINC000733325704 575327924 /nfs/dbraw/zinc/32/79/24/575327924.db2.gz UYIMQRXTOLOMBO-UHFFFAOYSA-N 0 1 332.831 3.172 10 10 EGCEMN COC[C@@H]1CCCC[N@H+]1Cc1cc(Br)cc(F)c1[O-] ZINC000715783897 1298288942 /nfs/dbraw/zinc/28/89/42/1298288942.db2.gz DTNQOYYDLNNVLJ-LBPRGKRZSA-N 0 1 332.213 3.295 10 10 EGCEMN [O-]c1c(C[NH2+]C[C@H](O)C(F)(F)C(F)(F)F)ccc2ccccc12 ZINC000895676863 1309460932 /nfs/dbraw/zinc/46/09/32/1309460932.db2.gz DTEXJOWHZHSQGC-LBPRGKRZSA-N 0 1 335.272 3.194 10 10 EGCEMN Cc1cc(Br)c([O-])c(C[N@H+]2CC[C@H]([C@H]3CCCO3)C2)c1 ZINC000895848477 1309557022 /nfs/dbraw/zinc/55/70/22/1309557022.db2.gz RJYRZGYFJUJHQO-SWLSCSKDSA-N 0 1 340.261 3.464 10 10 EGCEMN COc1cc(Br)cc(CN2C[C@@H](OC)CC[C@H]2C)c1O ZINC000895945277 1309604995 /nfs/dbraw/zinc/60/49/95/1309604995.db2.gz IPLOWWUFALJCPK-MFKMUULPSA-N 0 1 344.249 3.163 10 10 EGCEMN C[C@H](N[C@@H]1c2ccccc2CN(C)C1=O)c1cc(Cl)ccc1O ZINC000857875382 1328611715 /nfs/dbraw/zinc/61/17/15/1328611715.db2.gz LXWADKFGYUETTG-APPDUMDISA-N 0 1 330.815 3.410 10 10 EGCEMN [O-]c1cccc(Br)c1C[NH2+][C@H]1C[C@H](O)c2ccccc21 ZINC000858189571 1328707190 /nfs/dbraw/zinc/70/71/90/1328707190.db2.gz OVQYAXYQSRAJDB-HOCLYGCPSA-N 0 1 334.213 3.423 10 10 EGCEMN Oc1cccc(Br)c1CN[C@H]1C[C@H](O)c2ccccc21 ZINC000858189571 1328707194 /nfs/dbraw/zinc/70/71/94/1328707194.db2.gz OVQYAXYQSRAJDB-HOCLYGCPSA-N 0 1 334.213 3.423 10 10 EGCEMN Cc1cc([O-])c(C[NH2+]CC[C@@H](O)COCc2ccccc2)c(Cl)c1 ZINC000858331412 1328738599 /nfs/dbraw/zinc/73/85/99/1328738599.db2.gz CCSLCEHBKWBBBR-MRXNPFEDSA-N 0 1 349.858 3.411 10 10 EGCEMN COC(=O)C1=CC[C@H]([NH2+][C@@H](C)c2cc(Br)ccc2[O-])C1 ZINC000858473440 1328771040 /nfs/dbraw/zinc/77/10/40/1328771040.db2.gz OBPDLFVPNHMTAH-CABZTGNLSA-N 0 1 340.217 3.067 10 10 EGCEMN COc1ccc(N2CC[C@@H](NCc3c(Cl)n[nH]c3C3CC3)C2)cc1 ZINC000922236961 1322484569 /nfs/dbraw/zinc/48/45/69/1322484569.db2.gz GBUQNKHGPUHAII-CYBMUJFWSA-N 0 1 346.862 3.318 10 10 EGCEMN C[C@@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)c1ccns1 ZINC000926559229 1327615714 /nfs/dbraw/zinc/61/57/14/1327615714.db2.gz LEJCDOPAYSPZCC-LLVKDONJSA-N 0 1 339.411 3.109 10 10 EGCEMN CN1CC[C@@H]([NH2+]Cc2cccc(Br)c2[O-])CC1(C)C ZINC000862348422 1329476291 /nfs/dbraw/zinc/47/62/91/1329476291.db2.gz MWFBCXNGMPGEJJ-GFCCVEGCSA-N 0 1 327.266 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C[C@H](O)[C@@H]([NH2+]Cc1c([O-])cccc1Br)c1ccccc1 ZINC000858195736 1328708979 /nfs/dbraw/zinc/70/89/79/1328708979.db2.gz AQWMSZLEIHDSJM-MEDUHNTESA-N 0 1 336.229 3.366 10 10 EGCEMN COc1ncc(Br)cc1CNCc1ccc2c(c1)CCO2 ZINC000858248813 1328722351 /nfs/dbraw/zinc/72/23/51/1328722351.db2.gz CRDUZQFUTVGHFB-UHFFFAOYSA-N 0 1 349.228 3.077 10 10 EGCEMN COC(C)(C)[C@H](C)NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000925514817 1325186158 /nfs/dbraw/zinc/18/61/58/1325186158.db2.gz GFOAMAJYGTYUBT-QMMMGPOBSA-N 0 1 335.231 3.312 10 10 EGCEMN OC[C@@H](NCc1ccc2c(c1)CCO2)c1cccc(C(F)(F)F)c1 ZINC000865654624 1329725622 /nfs/dbraw/zinc/72/56/22/1329725622.db2.gz SNJMVQDYXUZBQK-MRXNPFEDSA-N 0 1 337.341 3.464 10 10 EGCEMN C[C@@H](N[C@H](C(N)=O)c1ccc(Br)cc1)c1ccccc1O ZINC001197003903 1368729233 /nfs/dbraw/zinc/72/92/33/1368729233.db2.gz MPFVSODFNXKRCC-BMIGLBTASA-N 0 1 349.228 3.032 10 10 EGCEMN Cc1cc(CC(=O)NCCN2CC=CCC2)c(C)n1-c1ccccc1 ZINC001156479403 1380581540 /nfs/dbraw/zinc/58/15/40/1380581540.db2.gz 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1385910531 /nfs/dbraw/zinc/91/05/31/1385910531.db2.gz HLUVMVOTQAWNEG-UHFFFAOYSA-N 0 1 338.480 3.177 10 10 EGCEMN CC(=O)c1cc(F)cc(C[NH2+][C@@H]2CCCC[C@H]2n2cccn2)c1[O-] ZINC000127851396 455003804 /nfs/dbraw/zinc/00/38/04/455003804.db2.gz JXPMCTWFSJTXGS-IAGOWNOFSA-N 0 1 331.391 3.204 10 10 EGCEMN C[C@H]([NH2+][C@@H]1c2ccccc2C[C@H]1O)c1cc(Br)ccc1[O-] ZINC000248494598 455716340 /nfs/dbraw/zinc/71/63/40/455716340.db2.gz KNAWFDPDMVQYPT-LZVXQISVSA-N 0 1 348.240 3.464 10 10 EGCEMN C[N@H+](Cc1ccccc1[O-])C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000195163107 455928751 /nfs/dbraw/zinc/92/87/51/455928751.db2.gz SRRCBGUHSFERBU-IBGZPJMESA-N 0 1 334.460 3.471 10 10 EGCEMN C[N@@H+](Cc1ccccc1[O-])C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000195163107 455928757 /nfs/dbraw/zinc/92/87/57/455928757.db2.gz SRRCBGUHSFERBU-IBGZPJMESA-N 0 1 334.460 3.471 10 10 EGCEMN COCCC1(C)CN(Cc2cc(Br)cc(C)c2O)C1 ZINC000297391858 456207711 /nfs/dbraw/zinc/20/77/11/456207711.db2.gz KNDWWDIXUNHZMU-UHFFFAOYSA-N 0 1 328.250 3.322 10 10 EGCEMN C[C@@H]([NH2+]Cc1ccc(F)c(CN(C)C)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273461041 456231564 /nfs/dbraw/zinc/23/15/64/456231564.db2.gz CSXUYOFNLPFQQA-GFCCVEGCSA-N 0 1 347.390 3.352 10 10 EGCEMN CCOc1ccc(O)c(CNCc2nc3cc(F)ccc3n2C)c1 ZINC000736355021 575941995 /nfs/dbraw/zinc/94/19/95/575941995.db2.gz BUDQGWKVRSNUND-UHFFFAOYSA-N 0 1 329.375 3.107 10 10 EGCEMN CCOc1ccc(O)c(CN2CCN(c3ccccc3OC)CC2)c1 ZINC000157404103 1294178025 /nfs/dbraw/zinc/17/80/25/1294178025.db2.gz BHOVRHUIOMJMCQ-UHFFFAOYSA-N 0 1 342.439 3.122 10 10 EGCEMN C[N@@H+]1C[C@H](C(=O)NCc2cccc(Cl)c2[O-])[C@@H](c2ccccc2)C1 ZINC000890761096 1304872997 /nfs/dbraw/zinc/87/29/97/1304872997.db2.gz KOICACKGTIIDEX-CVEARBPZSA-N 0 1 344.842 3.007 10 10 EGCEMN C[N@H+]1C[C@H](C(=O)NCc2cccc(Cl)c2[O-])[C@@H](c2ccccc2)C1 ZINC000890761096 1304873000 /nfs/dbraw/zinc/87/30/00/1304873000.db2.gz KOICACKGTIIDEX-CVEARBPZSA-N 0 1 344.842 3.007 10 10 EGCEMN [O-]c1c(F)cc(Br)cc1C[N@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000895461754 1309350508 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CC(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000295495480 455850649 /nfs/dbraw/zinc/85/06/49/455850649.db2.gz XZQSXXCBEQZBDC-GFCCVEGCSA-N 0 1 342.842 3.169 10 10 EGCEMN CC(=O)c1cc(F)cc(C[N@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)c1[O-] ZINC000188147912 456008671 /nfs/dbraw/zinc/00/86/71/456008671.db2.gz JATPJFLDYYCMFS-YOEHRIQHSA-N 0 1 349.427 3.003 10 10 EGCEMN CC(=O)c1cc(F)cc(C[N@@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)c1[O-] ZINC000188147912 456008675 /nfs/dbraw/zinc/00/86/75/456008675.db2.gz JATPJFLDYYCMFS-YOEHRIQHSA-N 0 1 349.427 3.003 10 10 EGCEMN CCOc1cccc(CN2CCC3(C2)Oc2ccccc2O3)c1O ZINC000290161059 456257049 /nfs/dbraw/zinc/25/70/49/456257049.db2.gz LUVRLQYWSDBLLS-UHFFFAOYSA-N 0 1 327.380 3.164 10 10 EGCEMN Cc1noc(C)c1CO[C@H]1CCN(Cc2ccc(N(C)C)c(F)c2)C1 ZINC000370730727 457708534 /nfs/dbraw/zinc/70/85/34/457708534.db2.gz QCAPCQGXLBTERE-INIZCTEOSA-N 0 1 347.434 3.288 10 10 EGCEMN O=C(/C=C/c1ccc(O)c(O)c1)Nc1cccc2c1CN(C1CC1)C2 ZINC000375235404 457843257 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[O-]c1c(F)cc(F)cc1C[N@@H+]1Cc2cccnc2N2CCC[C@H]2C1 ZINC000895462044 1309349909 /nfs/dbraw/zinc/34/99/09/1309349909.db2.gz HMUQRPOHYZCOQH-HNNXBMFYSA-N 0 1 331.366 3.050 10 10 EGCEMN [O-]c1c(F)cc(Br)cc1C[N@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000895461753 1309350326 /nfs/dbraw/zinc/35/03/26/1309350326.db2.gz PNVPWHZDZKNANP-GXSJLCMTSA-N 0 1 346.265 3.479 10 10 EGCEMN COc1cccc2c1CC[C@]2(CO)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000895635328 1309439283 /nfs/dbraw/zinc/43/92/83/1309439283.db2.gz RUTFTTAFKUAZQA-LJQANCHMSA-N 0 1 347.842 3.286 10 10 EGCEMN [O-]c1c(F)cc(Br)cc1C[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000895845888 1309553534 /nfs/dbraw/zinc/55/35/34/1309553534.db2.gz RGSBDAGGDMHUQZ-HZMBPMFUSA-N 0 1 344.224 3.295 10 10 EGCEMN CC[C@@H](NCc1ccc(N2CCOCC2)cc1)c1cccc(OC)n1 ZINC000924755964 1323146746 /nfs/dbraw/zinc/14/67/46/1323146746.db2.gz XVRDIKANCZXKNY-GOSISDBHSA-N 0 1 341.455 3.168 10 10 EGCEMN CC[C@H](NCc1ccc(N2CCOCC2)cc1)c1cccc(OC)n1 ZINC000924755966 1323147092 /nfs/dbraw/zinc/14/70/92/1323147092.db2.gz XVRDIKANCZXKNY-SFHVURJKSA-N 0 1 341.455 3.168 10 10 EGCEMN Cc1cc(CNC(=O)C(C)(C)c2cnc[nH]2)c(C)n1-c1ccccc1 ZINC000863164722 1329531677 /nfs/dbraw/zinc/53/16/77/1329531677.db2.gz UCFXXMZWVNSHEZ-UHFFFAOYSA-N 0 1 336.439 3.411 10 10 EGCEMN Cc1cc(CNC(=O)[C@H]2CCc3[nH]cnc3C2)c(C)n1-c1ccccc1 ZINC000863163937 1329531782 /nfs/dbraw/zinc/53/17/82/1329531782.db2.gz UNAVUEWIVBZGRS-INIZCTEOSA-N 0 1 348.450 3.239 10 10 EGCEMN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1n[nH]cc1C(F)(F)F ZINC000865027118 1329662831 /nfs/dbraw/zinc/66/28/31/1329662831.db2.gz HNCVMJDAPWYRKY-UHFFFAOYSA-N 0 1 340.349 3.157 10 10 EGCEMN Fc1ccc2onc(CNCc3ccc(N4CCOCC4)cc3)c2c1 ZINC000865760622 1329735866 /nfs/dbraw/zinc/73/58/66/1329735866.db2.gz MNDHWASAGCVLBY-UHFFFAOYSA-N 0 1 341.386 3.093 10 10 EGCEMN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H](C3CCOCC3)C2)c1[O-] ZINC000933076793 1329859625 /nfs/dbraw/zinc/85/96/25/1329859625.db2.gz BOUFPSYGCLGWEM-OAHLLOKOSA-N 0 1 335.419 3.373 10 10 EGCEMN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H](C3CCOCC3)C2)c1[O-] ZINC000933076793 1329859627 /nfs/dbraw/zinc/85/96/27/1329859627.db2.gz BOUFPSYGCLGWEM-OAHLLOKOSA-N 0 1 335.419 3.373 10 10 EGCEMN C[C@H]([NH2+][C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2)c1cc(Br)ccc1[O-] ZINC000866446743 1330113608 /nfs/dbraw/zinc/11/36/08/1330113608.db2.gz WYCNGEYIHYGMPE-RIJNBJNWSA-N 0 1 338.245 3.229 10 10 EGCEMN C[C@H]([NH2+][C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32)c1cc(Br)ccc1[O-] ZINC000866446745 1330113623 /nfs/dbraw/zinc/11/36/23/1330113623.db2.gz WYCNGEYIHYGMPE-XIDMARJMSA-N 0 1 338.245 3.229 10 10 EGCEMN C[C@H]([NH2+]C[C@H]1CC2(CO1)CCOCC2)c1ccc(Cl)cc1[O-] ZINC000866533330 1330123002 /nfs/dbraw/zinc/12/30/02/1330123002.db2.gz PUFDEASBHFQAAV-GXTWGEPZSA-N 0 1 325.836 3.282 10 10 EGCEMN COc1cccc(CNC(=O)c2cccc(C(F)(F)F)c2O)c1O ZINC001137473603 1377553867 /nfs/dbraw/zinc/55/38/67/1377553867.db2.gz OZAYMVBWTAQGTI-UHFFFAOYSA-N 0 1 341.285 3.055 10 10 EGCEMN CCN(CC)c1ccc(CN2CCO[C@@H]3CC[C@H](OC)C[C@H]32)cc1 ZINC000245693944 455357968 /nfs/dbraw/zinc/35/79/68/455357968.db2.gz AZFRTJRKENSNCL-XUVXKRRUSA-N 0 1 332.488 3.301 10 10 EGCEMN CC(=O)c1ccc(OC[C@@H]2CN[C@H](c3ccc(N(C)C)cc3)O2)cc1 ZINC000032722766 453885290 /nfs/dbraw/zinc/88/52/90/453885290.db2.gz RYOFAHLLLJAPSX-PMACEKPBSA-N 0 1 340.423 3.021 10 10 EGCEMN Cc1ccc(CNCc2ccc3c(c2)CCO3)c(O[C@@H]2CCOC2)c1 ZINC000089623627 454169042 /nfs/dbraw/zinc/16/90/42/454169042.db2.gz VNQLIHCASJXJNK-LJQANCHMSA-N 0 1 339.435 3.387 10 10 EGCEMN COc1c(CNCc2ccc(N3CCCC3)cc2)c(C(C)C)nn1C ZINC000058391837 454197249 /nfs/dbraw/zinc/19/72/49/454197249.db2.gz YIJDFRHRCGUQPC-UHFFFAOYSA-N 0 1 342.487 3.442 10 10 EGCEMN CCN(CC)c1ccc(CN2CCO[C@@H]3CC[C@@H](OC)C[C@@H]32)cc1 ZINC000092097358 454520719 /nfs/dbraw/zinc/52/07/19/454520719.db2.gz AZFRTJRKENSNCL-HSALFYBXSA-N 0 1 332.488 3.301 10 10 EGCEMN COc1c([O-])c(C[N@@H+]2CCCC[C@H]2c2cccn2C)ccc1[N+](=O)[O-] ZINC000278209998 455787882 /nfs/dbraw/zinc/78/78/82/455787882.db2.gz KFFJSXCWXFPDLQ-HNNXBMFYSA-N 0 1 345.399 3.375 10 10 EGCEMN COc1c([O-])c(C[N@H+]2CCCC[C@H]2c2cccn2C)ccc1[N+](=O)[O-] ZINC000278209998 455787887 /nfs/dbraw/zinc/78/78/87/455787887.db2.gz KFFJSXCWXFPDLQ-HNNXBMFYSA-N 0 1 345.399 3.375 10 10 EGCEMN CC[C@H]([NH2+][C@@H](C)c1ccc(Br)cc1[O-])[C@@H](O)C(F)F ZINC000296563016 455974258 /nfs/dbraw/zinc/97/42/58/455974258.db2.gz SJSPWQSWDOGSJD-VIRWGQHYSA-N 0 1 338.192 3.210 10 10 EGCEMN C[C@@H]([NH2+][C@H]1CC[C@@H](C(=O)N2CCCCC2)C1)c1cc(F)ccc1[O-] ZINC000373864098 457376159 /nfs/dbraw/zinc/37/61/59/457376159.db2.gz USDMNIBKLUJIES-FMKPAKJESA-N 0 1 334.435 3.363 10 10 EGCEMN CN(C)c1ccc(CNC(=O)CN2CCC(C(C)(C)C)CC2)cc1 ZINC000734835702 575563178 /nfs/dbraw/zinc/56/31/78/575563178.db2.gz GXQIYTPMBBSORP-UHFFFAOYSA-N 0 1 331.504 3.127 10 10 EGCEMN COc1ccc(S(=O)(=O)Nc2nc(-c3ccncc3)cs2)cc1 ZINC000041571892 1291418686 /nfs/dbraw/zinc/41/86/86/1291418686.db2.gz UFZKBNXHRQGTKE-UHFFFAOYSA-N 0 1 347.421 3.015 10 10 EGCEMN COc1ccccc1[C@H]1CN(Cc2cc(F)cc(F)c2O)CCO1 ZINC000895460790 1309347702 /nfs/dbraw/zinc/34/77/02/1309347702.db2.gz USKYEZXHGHQZNB-QGZVFWFLSA-N 0 1 335.350 3.253 10 10 EGCEMN [O-]c1ccc(Br)cc1C[N@@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000895848462 1309558155 /nfs/dbraw/zinc/55/81/55/1309558155.db2.gz ZMPUOVJCMNWPCF-IAQYHMDHSA-N 0 1 326.234 3.156 10 10 EGCEMN [O-]c1ccc(Br)cc1C[N@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000895848462 1309558163 /nfs/dbraw/zinc/55/81/63/1309558163.db2.gz ZMPUOVJCMNWPCF-IAQYHMDHSA-N 0 1 326.234 3.156 10 10 EGCEMN C[C@@H]1CN(c2ccc(CNCc3ccnc(F)c3)cc2F)C[C@H](C)O1 ZINC000858100463 1328681977 /nfs/dbraw/zinc/68/19/77/1328681977.db2.gz HSNDSQKSKAWVBQ-OKILXGFUSA-N 0 1 347.409 3.263 10 10 EGCEMN O=c1ccc2c([nH]1)CCC[C@@H]2[NH2+]Cc1c([O-])cccc1Br ZINC000858116071 1328686832 /nfs/dbraw/zinc/68/68/32/1328686832.db2.gz REKFJNMSBQZSGJ-ZDUSSCGKSA-N 0 1 349.228 3.423 10 10 EGCEMN CCO[C@@H]1C[C@@H]([NH2+]Cc2c([O-])cccc2Br)[C@@H]1SC ZINC000858181909 1328705053 /nfs/dbraw/zinc/70/50/53/1328705053.db2.gz AEDSGNDFOQFDNN-BNOWGMLFSA-N 0 1 346.290 3.153 10 10 EGCEMN COC(=O)C1=CC[C@H]([NH2+][C@@H](C)c2ccc(Br)cc2[O-])C1 ZINC000858473505 1328771079 /nfs/dbraw/zinc/77/10/79/1328771079.db2.gz OXKBMHUEEIFTKX-CABZTGNLSA-N 0 1 340.217 3.067 10 10 EGCEMN CC(C)(C)CC(=O)N1CCN(Cc2c(O)ccc3ccncc32)CC1 ZINC000914570099 1319346778 /nfs/dbraw/zinc/34/67/78/1319346778.db2.gz MALGBSXZTSEECN-UHFFFAOYSA-N 0 1 341.455 3.021 10 10 EGCEMN CCN(CC)c1ccc(CNCc2c3c(nn2C)CCC3)cc1F ZINC000921713856 1322382961 /nfs/dbraw/zinc/38/29/61/1322382961.db2.gz CEOZOXHIJWEVEB-UHFFFAOYSA-N 0 1 330.451 3.184 10 10 EGCEMN C[C@@H]([NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2)c1cc(Br)ccc1[O-] ZINC000926936629 1327784989 /nfs/dbraw/zinc/78/49/89/1327784989.db2.gz LCQVKUGESKVULK-CZXHOFHRSA-N 0 1 338.245 3.396 10 10 EGCEMN CC[C@@H]([NH2+]CC(C)(C)CS(C)(=O)=O)c1cc(Cl)ccc1[O-] ZINC000926954463 1327794999 /nfs/dbraw/zinc/79/49/99/1327794999.db2.gz DAEQGJKLNMJSBS-CYBMUJFWSA-N 0 1 333.881 3.157 10 10 EGCEMN COC(=O)CC1([NH2+]Cc2c([O-])cccc2Br)CCCC1 ZINC000862350895 1329477055 /nfs/dbraw/zinc/47/70/55/1329477055.db2.gz ICOIDCKGFARZBS-UHFFFAOYSA-N 0 1 342.233 3.120 10 10 EGCEMN Cc1cc(=O)[nH]c(C(C)(C)NC/C=C\c2ccc(N(C)C)cc2)n1 ZINC000862432536 1329486411 /nfs/dbraw/zinc/48/64/11/1329486411.db2.gz HMVGAUWBDVGRNF-SREVYHEPSA-N 0 1 326.444 3.095 10 10 EGCEMN Cc1cc(=O)[n-]c(C(C)(C)[NH2+]C/C=C\c2ccc(N(C)C)cc2)n1 ZINC000862432536 1329486413 /nfs/dbraw/zinc/48/64/13/1329486413.db2.gz HMVGAUWBDVGRNF-SREVYHEPSA-N 0 1 326.444 3.095 10 10 EGCEMN [O-]c1cc(Br)ccc1C[NH2+]C[C@@H]1Cc2ccccc2CO1 ZINC000862435754 1329486671 /nfs/dbraw/zinc/48/66/71/1329486671.db2.gz KIFJDYPAXVJHHX-INIZCTEOSA-N 0 1 348.240 3.386 10 10 EGCEMN CC[C@H]([NH2+]CC1(N)CCOCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000863541869 1329561887 /nfs/dbraw/zinc/56/18/87/1329561887.db2.gz QGHNMPIEIBYPFK-LBPRGKRZSA-N 0 1 333.259 3.248 10 10 EGCEMN Fc1cc(CNCc2ccc(N3CCOCC3)cc2)cnc1Cl ZINC000865427835 1329695955 /nfs/dbraw/zinc/69/59/55/1329695955.db2.gz KPAMPJRTFWDXEL-UHFFFAOYSA-N 0 1 335.810 3.001 10 10 EGCEMN C[C@@H]([NH2+]C[C@H]1CC2(CO1)CCOCC2)c1cc(Cl)ccc1[O-] ZINC000866530682 1330122326 /nfs/dbraw/zinc/12/23/26/1330122326.db2.gz BHEKDSPEJZHDBO-TZMCWYRMSA-N 0 1 325.836 3.282 10 10 EGCEMN C[C@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1Cl)c1ccnn1C ZINC000866612766 1330132800 /nfs/dbraw/zinc/13/28/00/1330132800.db2.gz NXNAFJCAYBFCDE-KBPBESRZSA-N 0 1 348.878 3.322 10 10 EGCEMN Cc1cncnc1N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC001162438477 1382758997 /nfs/dbraw/zinc/75/89/97/1382758997.db2.gz XGLIHGUPONMIDB-HNNXBMFYSA-N 0 1 332.835 3.221 10 10 EGCEMN Cc1cncnc1N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC001162438477 1382758999 /nfs/dbraw/zinc/75/89/99/1382758999.db2.gz XGLIHGUPONMIDB-HNNXBMFYSA-N 0 1 332.835 3.221 10 10 EGCEMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1Cc2cccnc2C1 ZINC001347067813 1390998241 /nfs/dbraw/zinc/99/82/41/1390998241.db2.gz WTHSHHAPLXTTOF-SNVBAGLBSA-N 0 1 337.206 3.125 10 10 EGCEMN C/C=C\CNC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000629034196 460630816 /nfs/dbraw/zinc/63/08/16/460630816.db2.gz SKVSWTGKELSMIV-PLNGDYQASA-N 0 1 325.456 3.100 10 10 EGCEMN C[C@@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1cc(Cl)ccc1[O-] ZINC000185552290 455577483 /nfs/dbraw/zinc/57/74/83/455577483.db2.gz GOPLSVKMTVYZTK-OCCSQVGLSA-N 0 1 334.851 3.099 10 10 EGCEMN Cc1cc(C[C@H](C)[NH2+][C@@H](C)c2cc(Br)ccc2[O-])[nH]n1 ZINC000186130425 455699589 /nfs/dbraw/zinc/69/95/89/455699589.db2.gz OYIXOTVWKQHLHG-ONGXEEELSA-N 0 1 338.249 3.468 10 10 EGCEMN C[C@H](NC[C@H](O)C(F)(F)F)c1ccc(N2CCCCC2)c(F)c1 ZINC000268878557 455717219 /nfs/dbraw/zinc/71/72/19/455717219.db2.gz XBBIPZXTVGUPGA-NHYWBVRUSA-N 0 1 334.357 3.390 10 10 EGCEMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000294591295 455820328 /nfs/dbraw/zinc/82/03/28/455820328.db2.gz HKQOEBFCQZCNNM-VHSXEESVSA-N 0 1 341.732 3.177 10 10 EGCEMN COc1c([O-])c(C[N@@H+]2CC[C@H](CC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000278431884 455836354 /nfs/dbraw/zinc/83/63/54/455836354.db2.gz UBOBLUCPYYNYIN-SECBINFHSA-N 0 1 334.294 3.083 10 10 EGCEMN COc1c([O-])c(C[N@H+]2CC[C@H](CC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000278431884 455836358 /nfs/dbraw/zinc/83/63/58/455836358.db2.gz UBOBLUCPYYNYIN-SECBINFHSA-N 0 1 334.294 3.083 10 10 EGCEMN O=c1ccc2c([nH]1)CCC[C@H]2[NH2+]Cc1cc(Br)ccc1[O-] ZINC000728782958 574770979 /nfs/dbraw/zinc/77/09/79/574770979.db2.gz VDXXPRJMRBAXBZ-CYBMUJFWSA-N 0 1 349.228 3.423 10 10 EGCEMN COC(=O)CC[N@@H+](Cc1ccccc1)Cc1cc2c(cc1O)CCC2 ZINC000729462883 574862727 /nfs/dbraw/zinc/86/27/27/574862727.db2.gz ANXGRIYURHTILS-UHFFFAOYSA-N 0 1 339.435 3.446 10 10 EGCEMN Cc1cc(CN(C)CC(C)(C)S(C)(=O)=O)c(O)c(C(C)(C)C)c1 ZINC000161029739 1294283493 /nfs/dbraw/zinc/28/34/93/1294283493.db2.gz BFSHALPBKIGWNQ-UHFFFAOYSA-N 0 1 341.517 3.253 10 10 EGCEMN [O-]c1c(F)cc(Br)cc1C[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000894088567 1306211170 /nfs/dbraw/zinc/21/11/70/1306211170.db2.gz LSUHRMCPTKDHMM-YGRLFVJLSA-N 0 1 344.224 3.295 10 10 EGCEMN COC(=O)c1c(CN2CC[C@H](SC)C2)c2cc(F)ccc2n1C ZINC000894880172 1309113551 /nfs/dbraw/zinc/11/35/51/1309113551.db2.gz JHYTVXVLWBOPKV-LBPRGKRZSA-N 0 1 336.432 3.041 10 10 EGCEMN C[C@H]1CN(Cc2cc(F)cc(F)c2O)C[C@@H](CC(F)(F)F)O1 ZINC000895354266 1309296675 /nfs/dbraw/zinc/29/66/75/1309296675.db2.gz WWFIZPSMEDYNPH-GZMMTYOYSA-N 0 1 325.277 3.212 10 10 EGCEMN [O-]c1cccc(Br)c1C[NH2+][C@H](C1CC1)C1CCOCC1 ZINC000858184537 1328705568 /nfs/dbraw/zinc/70/55/68/1328705568.db2.gz LVKCTJYFXRJSEZ-MRXNPFEDSA-N 0 1 340.261 3.450 10 10 EGCEMN Cc1cc(CN[C@H]2c3sccc3OC(C)(C)[C@@H]2O)ccc1N(C)C ZINC000930551429 1328893526 /nfs/dbraw/zinc/89/35/26/1328893526.db2.gz YNIWUMFRNXTADP-FUHWJXTLSA-N 0 1 346.496 3.485 10 10 EGCEMN Cc1cc([O-])c(C[NH2+]C[C@@H](n2cccn2)C(F)(F)F)cc1Cl ZINC000862434880 1329486810 /nfs/dbraw/zinc/48/68/10/1329486810.db2.gz JJLTVGGIVBNELH-CYBMUJFWSA-N 0 1 333.741 3.444 10 10 EGCEMN COC(=O)Cc1ccc(C[NH2+]Cc2c([O-])cc(C)cc2Cl)cc1 ZINC000862446948 1329488063 /nfs/dbraw/zinc/48/80/63/1329488063.db2.gz KOJNXCZAMUSQLY-UHFFFAOYSA-N 0 1 333.815 3.359 10 10 EGCEMN CCN1CCN(C(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)[C@H](C)C1 ZINC001140510441 1378075904 /nfs/dbraw/zinc/07/59/04/1378075904.db2.gz PPAXBLRADUOODX-OAHLLOKOSA-N 0 1 343.446 3.399 10 10 EGCEMN C[C@@H](CC1CCCC1)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC001288334825 1381782480 /nfs/dbraw/zinc/78/24/80/1381782480.db2.gz RGYRFOGGGTUQOG-KRWDZBQOSA-N 0 1 343.515 3.271 10 10 EGCEMN O=C([O-])[C@@H](Cc1cnc[nH]1)Nc1c2ccccc2[nH+]c2ccccc21 ZINC000004313810 210168077 /nfs/dbraw/zinc/16/80/77/210168077.db2.gz WEKACGMBIJABEO-QGZVFWFLSA-N 0 1 332.363 3.219 10 10 EGCEMN CC1(C)C[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@]2(CCOC2)O1 ZINC000280154257 455904445 /nfs/dbraw/zinc/90/44/45/455904445.db2.gz DVDBPRDUPHTMKN-INIZCTEOSA-N 0 1 346.254 3.469 10 10 EGCEMN C[NH+](C)Cc1cc(C(C)(C)C)cc(I)c1[O-] ZINC000027844730 453820813 /nfs/dbraw/zinc/82/08/13/453820813.db2.gz XCTGWUBSZMSEJY-UHFFFAOYSA-N 0 1 333.213 3.356 10 10 EGCEMN CC(=O)c1ccc(OC[C@@H]2CN[C@@H](c3ccc(N(C)C)cc3)O2)cc1 ZINC000032722764 453885538 /nfs/dbraw/zinc/88/55/38/453885538.db2.gz RYOFAHLLLJAPSX-VQTJNVASSA-N 0 1 340.423 3.021 10 10 EGCEMN Cc1nc(C)n(C[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3[O-])C2)n1 ZINC000121952872 454499233 /nfs/dbraw/zinc/49/92/33/454499233.db2.gz LHIJLGJIVJVTJP-AWEZNQCLSA-N 0 1 334.851 3.166 10 10 EGCEMN Cc1nc(C)n(C[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3[O-])C2)n1 ZINC000121952872 454499236 /nfs/dbraw/zinc/49/92/36/454499236.db2.gz LHIJLGJIVJVTJP-AWEZNQCLSA-N 0 1 334.851 3.166 10 10 EGCEMN Cn1ccnc1-c1noc(NCc2cc(Cl)cc(Cl)c2O)n1 ZINC000181527723 455349896 /nfs/dbraw/zinc/34/98/96/455349896.db2.gz GPROHUKSBITIRZ-UHFFFAOYSA-N 0 1 340.170 3.095 10 10 EGCEMN COc1c([O-])c(C[N@@H+]2CC[C@H](C(F)(F)F)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000294980162 455834865 /nfs/dbraw/zinc/83/48/65/455834865.db2.gz JSLPJXZKWNXJME-ONGXEEELSA-N 0 1 348.321 3.472 10 10 EGCEMN COc1c([O-])c(C[N@H+]2CC[C@H](C(F)(F)F)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000294980162 455834866 /nfs/dbraw/zinc/83/48/66/455834866.db2.gz JSLPJXZKWNXJME-ONGXEEELSA-N 0 1 348.321 3.472 10 10 EGCEMN NC(=O)c1ccc(C[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C2CC2)cc1 ZINC000295436105 455848737 /nfs/dbraw/zinc/84/87/37/455848737.db2.gz UESWLULMYTWERN-UHFFFAOYSA-N 0 1 348.805 3.448 10 10 EGCEMN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](Cc3ccncc3)C2)c1O ZINC000375154285 457813566 /nfs/dbraw/zinc/81/35/66/457813566.db2.gz SNDIBJDFEXAYOY-OAHLLOKOSA-N 0 1 328.387 3.194 10 10 EGCEMN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](Cc3ccncc3)C2)c1[O-] ZINC000375154285 457813572 /nfs/dbraw/zinc/81/35/72/457813572.db2.gz SNDIBJDFEXAYOY-OAHLLOKOSA-N 0 1 328.387 3.194 10 10 EGCEMN Cc1nc(/C=C2\SC(N3CCCCC3)=NC2=O)c2ccccn12 ZINC000032077596 1291376734 /nfs/dbraw/zinc/37/67/34/1291376734.db2.gz NZMCIAXOPMNTMQ-PTNGSMBKSA-N 0 1 326.425 3.099 10 10 EGCEMN C[C@@H]([NH2+]CCC[C@H]1CCOC1=O)c1cc(Br)ccc1[O-] ZINC000872111309 1296738447 /nfs/dbraw/zinc/73/84/47/1296738447.db2.gz CKZMRROGSIIXGC-MNOVXSKESA-N 0 1 342.233 3.149 10 10 EGCEMN C[C@@]12COC[C@@H]1C[N@@H+](Cc1cc(Cl)cc(Br)c1[O-])C2 ZINC000895275746 1309267241 /nfs/dbraw/zinc/26/72/41/1309267241.db2.gz OXRCCEBSYNDHST-IINYFYTJSA-N 0 1 346.652 3.276 10 10 EGCEMN C[C@H]1C[N@@H+](Cc2cc(F)cc(F)c2[O-])CC[C@@H](C(F)(F)F)O1 ZINC000895477019 1309359088 /nfs/dbraw/zinc/35/90/88/1309359088.db2.gz PGUMFKYXRBGOBY-UFBFGSQYSA-N 0 1 325.277 3.212 10 10 EGCEMN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC(c2cnc[nH]2)CC1 ZINC000896882217 1310066633 /nfs/dbraw/zinc/06/66/33/1310066633.db2.gz AQTNIBPACKCAEU-UHFFFAOYSA-N 0 1 343.408 3.055 10 10 EGCEMN O=C(NC[C@@H]1CCCCN1C1CC1)c1cc2cc(O)c(O)cc2s1 ZINC000897576909 1310391006 /nfs/dbraw/zinc/39/10/06/1310391006.db2.gz PRSVBHLEDNMIJM-ZDUSSCGKSA-N 0 1 346.452 3.059 10 10 EGCEMN COc1cnccc1[C@H](C)NCc1c(O)cccc1Br ZINC000858158514 1328699228 /nfs/dbraw/zinc/69/92/28/1328699228.db2.gz JVHHCWRQHLNLAB-JTQLQIEISA-N 0 1 337.217 3.409 10 10 EGCEMN C[C@@H](NCc1c(C(F)(F)F)cnn1C)c1ccc(N(C)C)cc1 ZINC000858453856 1328766081 /nfs/dbraw/zinc/76/60/81/1328766081.db2.gz YSCUDECUATYPOH-LLVKDONJSA-N 0 1 326.366 3.356 10 10 EGCEMN COC(=O)[C@H]1CC[N@@H+](Cc2c3c(ccc2O)oc2c3CCCC2)C1 ZINC000917480652 1319817956 /nfs/dbraw/zinc/81/79/56/1319817956.db2.gz QWXNBWHREVIFBE-LBPRGKRZSA-N 0 1 329.396 3.012 10 10 EGCEMN COC(=O)[C@H]1CC[N@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)C1 ZINC000917480652 1319817961 /nfs/dbraw/zinc/81/79/61/1319817961.db2.gz QWXNBWHREVIFBE-LBPRGKRZSA-N 0 1 329.396 3.012 10 10 EGCEMN COC(=O)[C@H]1CC[N@@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)C1 ZINC000917480652 1319817968 /nfs/dbraw/zinc/81/79/68/1319817968.db2.gz QWXNBWHREVIFBE-LBPRGKRZSA-N 0 1 329.396 3.012 10 10 EGCEMN Clc1ccnc2c1CC[C@H]2NCc1ccc(N2CCOCC2)cc1 ZINC000924750953 1323145508 /nfs/dbraw/zinc/14/55/08/1323145508.db2.gz HSTAYXNXBZXTAM-GOSISDBHSA-N 0 1 343.858 3.349 10 10 EGCEMN C[C@@H](NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccnn1C ZINC000865839776 1329744130 /nfs/dbraw/zinc/74/41/30/1329744130.db2.gz SJZVXUDAHZAMLL-CQSZACIVSA-N 0 1 343.431 3.169 10 10 EGCEMN C[C@H](NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccnn1C ZINC000865839775 1329744186 /nfs/dbraw/zinc/74/41/86/1329744186.db2.gz SJZVXUDAHZAMLL-AWEZNQCLSA-N 0 1 343.431 3.169 10 10 EGCEMN CO[C@H](CC[NH2+]Cc1c([O-])cccc1Br)C(F)(F)F ZINC001118860445 1371242660 /nfs/dbraw/zinc/24/26/60/1371242660.db2.gz TTWYJXXKWYXLQD-LLVKDONJSA-N 0 1 342.155 3.212 10 10 EGCEMN O=C(Nc1c(-c2ccccn2)nc2ccccn21)c1c(O)cccc1F ZINC001160564023 1382143388 /nfs/dbraw/zinc/14/33/88/1382143388.db2.gz VLJZMJUZACWBKI-UHFFFAOYSA-N 0 1 348.337 3.493 10 10 EGCEMN CCOc1ccc(N2CCN(C[C@@H]3CCC(C)(C)CO3)CC2)cc1 ZINC001168332568 1383875144 /nfs/dbraw/zinc/87/51/44/1383875144.db2.gz ZLNJRYGHEMONCQ-IBGZPJMESA-N 0 1 332.488 3.413 10 10 EGCEMN CC[C@H]([NH2+]C[C@H](O)C(F)(F)F)c1cc(Br)ccc1[O-] ZINC000229549231 456129756 /nfs/dbraw/zinc/12/97/56/456129756.db2.gz OQRGPDDYLOUEDD-ONGXEEELSA-N 0 1 342.155 3.119 10 10 EGCEMN Nc1ccc(OCC[N@@H+](CCCC(=O)[O-])Cc2ccccc2)cc1 ZINC000071261343 454204258 /nfs/dbraw/zinc/20/42/58/454204258.db2.gz ACFLPEFSCJVQES-UHFFFAOYSA-N 0 1 328.412 3.015 10 10 EGCEMN O=C(c1ccccc1)N1CCC([NH2+]Cc2cc(Cl)ccc2[O-])CC1 ZINC000171128854 455034017 /nfs/dbraw/zinc/03/40/17/455034017.db2.gz XTDDHVFMNAUWEZ-UHFFFAOYSA-N 0 1 344.842 3.440 10 10 EGCEMN COc1ccc(F)c(CNCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000293637426 455793518 /nfs/dbraw/zinc/79/35/18/455793518.db2.gz RMEZSZVFFHGJJN-UHFFFAOYSA-N 0 1 348.393 3.100 10 10 EGCEMN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000295406950 455848076 /nfs/dbraw/zinc/84/80/76/455848076.db2.gz RGMAVKFJCVJIJC-PWSUYJOCSA-N 0 1 327.705 3.072 10 10 EGCEMN Oc1ccc(Br)cc1C[N@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000371411993 457916825 /nfs/dbraw/zinc/91/68/25/457916825.db2.gz RHGOZRAMFNDLGP-GFCCVEGCSA-N 0 1 348.244 3.324 10 10 EGCEMN [O-]c1ccc(Br)cc1C[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000371411993 457916832 /nfs/dbraw/zinc/91/68/32/457916832.db2.gz RHGOZRAMFNDLGP-GFCCVEGCSA-N 0 1 348.244 3.324 10 10 EGCEMN CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC[C@H]2C)C1 ZINC000435819654 458209495 /nfs/dbraw/zinc/20/94/95/458209495.db2.gz TWHJAXWXFIAQQI-MRXNPFEDSA-N 0 1 339.483 3.419 10 10 EGCEMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CCC[C@H]2C)C1 ZINC000435819654 458209501 /nfs/dbraw/zinc/20/95/01/458209501.db2.gz TWHJAXWXFIAQQI-MRXNPFEDSA-N 0 1 339.483 3.419 10 10 EGCEMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCCC2CC2)C1 ZINC000435826733 547902786 /nfs/dbraw/zinc/90/27/86/547902786.db2.gz NIIKKEQEPDWXBD-UHFFFAOYSA-N 0 1 339.483 3.324 10 10 EGCEMN FC(F)(F)c1cc(N2CCOCC2)ccc1CNCc1ccoc1 ZINC000727467351 574669262 /nfs/dbraw/zinc/66/92/62/574669262.db2.gz TVAVVTSNODTNTQ-UHFFFAOYSA-N 0 1 340.345 3.425 10 10 EGCEMN Cc1cc(CCNC(=O)[C@H]2CCCCN2C)c(C)n1-c1ccccc1 ZINC000737780061 574688327 /nfs/dbraw/zinc/68/83/27/574688327.db2.gz PNPCGFBENFYPFN-HXUWFJFHSA-N 0 1 339.483 3.237 10 10 EGCEMN O=C1C[C@H](c2ccccc2)[N@@H+](Cc2c(O)cccc2Cl)CCN1 ZINC000121700692 1293384622 /nfs/dbraw/zinc/38/46/22/1293384622.db2.gz GCKWDPFUYSRKSW-MRXNPFEDSA-N 0 1 330.815 3.109 10 10 EGCEMN O=C1C[C@H](c2ccccc2)[N@H+](Cc2c([O-])cccc2Cl)CCN1 ZINC000121700692 1293384630 /nfs/dbraw/zinc/38/46/30/1293384630.db2.gz GCKWDPFUYSRKSW-MRXNPFEDSA-N 0 1 330.815 3.109 10 10 EGCEMN O=C1C[C@H](c2ccccc2)[N@@H+](Cc2c([O-])cccc2Cl)CCN1 ZINC000121700692 1293384640 /nfs/dbraw/zinc/38/46/40/1293384640.db2.gz GCKWDPFUYSRKSW-MRXNPFEDSA-N 0 1 330.815 3.109 10 10 EGCEMN COc1ccc(N2CC[C@@H](N[C@H]3CCCc4scnc43)C2)cc1 ZINC000858431577 1328760717 /nfs/dbraw/zinc/76/07/17/1328760717.db2.gz ZCYJCEJMSBDOKS-CJNGLKHVSA-N 0 1 329.469 3.398 10 10 EGCEMN Cc1nnsc1[C@H](C)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000930210493 1328812642 /nfs/dbraw/zinc/81/26/42/1328812642.db2.gz MVZZODFANOKZIL-STQMWFEESA-N 0 1 332.473 3.095 10 10 EGCEMN FC(F)(F)[C@@H](CNCc1ccc2c(c1)CCCO2)n1cccn1 ZINC000922283357 1322492395 /nfs/dbraw/zinc/49/23/95/1322492395.db2.gz XXMCSXMLKUPHTE-OAHLLOKOSA-N 0 1 325.334 3.101 10 10 EGCEMN C[C@@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1ccns1 ZINC000924761919 1323149430 /nfs/dbraw/zinc/14/94/30/1323149430.db2.gz XFCXASZSQCDIGR-CQSZACIVSA-N 0 1 331.485 3.203 10 10 EGCEMN [O-]c1cccc(Br)c1C[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000862252984 1329472021 /nfs/dbraw/zinc/47/20/21/1329472021.db2.gz YZKLRMJVCKOWIA-FZMZJTMJSA-N 0 1 326.234 3.156 10 10 EGCEMN [O-]c1cccc(Br)c1C[N@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000862252984 1329472022 /nfs/dbraw/zinc/47/20/22/1329472022.db2.gz YZKLRMJVCKOWIA-FZMZJTMJSA-N 0 1 326.234 3.156 10 10 EGCEMN CC(=O)c1cc(F)cc(C[N@@H+]2CCCC[C@@H]([C@@H]3CCOC3)C2)c1[O-] ZINC000934836179 1330010959 /nfs/dbraw/zinc/01/09/59/1330010959.db2.gz NBAREISTUHGKKN-HUUCEWRRSA-N 0 1 335.419 3.373 10 10 EGCEMN CC(=O)c1cc(F)cc(C[N@H+]2CCCC[C@@H]([C@@H]3CCOC3)C2)c1[O-] ZINC000934836179 1330010961 /nfs/dbraw/zinc/01/09/61/1330010961.db2.gz NBAREISTUHGKKN-HUUCEWRRSA-N 0 1 335.419 3.373 10 10 EGCEMN CC(=O)c1cc(F)cc(C[N@@H+]2CCCC[C@H]([C@H]3CCOC3)C2)c1[O-] ZINC000934836178 1330010969 /nfs/dbraw/zinc/01/09/69/1330010969.db2.gz NBAREISTUHGKKN-GJZGRUSLSA-N 0 1 335.419 3.373 10 10 EGCEMN CC(=O)c1cc(F)cc(C[N@H+]2CCCC[C@H]([C@H]3CCOC3)C2)c1[O-] ZINC000934836178 1330010971 /nfs/dbraw/zinc/01/09/71/1330010971.db2.gz NBAREISTUHGKKN-GJZGRUSLSA-N 0 1 335.419 3.373 10 10 EGCEMN CCCCN(Cc1ccccc1O)C(=O)c1ccc(CN(C)C)nc1 ZINC001139124684 1377834014 /nfs/dbraw/zinc/83/40/14/1377834014.db2.gz ZMLQLHIVPFIGRJ-UHFFFAOYSA-N 0 1 341.455 3.291 10 10 EGCEMN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)Cc1ccn[nH]1 ZINC001152396319 1379925675 /nfs/dbraw/zinc/92/56/75/1379925675.db2.gz WIUZBGIDMJNNOW-OAHLLOKOSA-N 0 1 335.407 3.448 10 10 EGCEMN CC(C)CCCCC(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC001288334396 1381782400 /nfs/dbraw/zinc/78/24/00/1381782400.db2.gz GDGGEOOFAAGGRC-UHFFFAOYSA-N 0 1 331.504 3.271 10 10 EGCEMN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CCN1CC[C@@H](F)C1 ZINC001290334833 1382083257 /nfs/dbraw/zinc/08/32/57/1382083257.db2.gz QHBFUJXYIPSSOL-GOSISDBHSA-N 0 1 347.478 3.069 10 10 EGCEMN CN(C)c1ccc(C[N@H+]2Cc3cc(Cl)ccc3C[C@H]2C(=O)[O-])cc1 ZINC000008699749 453222491 /nfs/dbraw/zinc/22/24/91/453222491.db2.gz DMZAGJQVRLTDMY-SFHVURJKSA-N 0 1 344.842 3.418 10 10 EGCEMN CC(=O)c1cc(Cl)cc(CN2CCC([NH+]3CCCC3)CC2)c1[O-] ZINC000177121397 454824944 /nfs/dbraw/zinc/82/49/44/454824944.db2.gz MMOMQCQCMKFYIN-UHFFFAOYSA-N 0 1 336.863 3.308 10 10 EGCEMN CC(=O)c1cc(F)cc(C[NH2+][C@H]2CCCC[C@H]2n2cccn2)c1[O-] ZINC000127851714 455004363 /nfs/dbraw/zinc/00/43/63/455004363.db2.gz JXPMCTWFSJTXGS-DLBZAZTESA-N 0 1 331.391 3.204 10 10 EGCEMN [O-]c1c(Cl)cccc1C[N@H+]1CCCN(Cc2cscn2)CC1 ZINC000180031180 455119309 /nfs/dbraw/zinc/11/93/09/455119309.db2.gz BRNXMOHLMMTIQY-UHFFFAOYSA-N 0 1 337.876 3.210 10 10 EGCEMN Cn1cc2c(n1)CCC[C@@H]2[NH2+]Cc1cc(Br)ccc1[O-] ZINC000283012145 456689911 /nfs/dbraw/zinc/68/99/11/456689911.db2.gz OUVMMLXGVPBEPT-ZDUSSCGKSA-N 0 1 336.233 3.055 10 10 EGCEMN Cc1noc(C)c1CO[C@@H]1CCN(Cc2ccc(N(C)C)c(F)c2)C1 ZINC000370730730 457708304 /nfs/dbraw/zinc/70/83/04/457708304.db2.gz QCAPCQGXLBTERE-MRXNPFEDSA-N 0 1 347.434 3.288 10 10 EGCEMN COc1ccc(O)c([C@@H](C)NCc2nccn2Cc2ccccc2)c1 ZINC000182464374 1295050737 /nfs/dbraw/zinc/05/07/37/1295050737.db2.gz WZTNULAKSJEFJK-OAHLLOKOSA-N 0 1 337.423 3.496 10 10 EGCEMN COC(=O)c1c(CN2CC[C@@H](SC)C2)c2cc(F)ccc2n1C ZINC000894880171 1309113310 /nfs/dbraw/zinc/11/33/10/1309113310.db2.gz JHYTVXVLWBOPKV-GFCCVEGCSA-N 0 1 336.432 3.041 10 10 EGCEMN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC000895721812 1309489565 /nfs/dbraw/zinc/48/95/65/1309489565.db2.gz KFMREKANKIGFGH-ZDUSSCGKSA-N 0 1 346.254 3.062 10 10 EGCEMN C[C@@H]1CN(c2ccc(CNCc3ccnc(F)c3)cc2F)C[C@@H](C)O1 ZINC000858100465 1328681902 /nfs/dbraw/zinc/68/19/02/1328681902.db2.gz HSNDSQKSKAWVBQ-ZIAGYGMSSA-N 0 1 347.409 3.263 10 10 EGCEMN Cc1cc([O-])c(C[NH2+]CC2CCC(S(C)(=O)=O)CC2)c(Cl)c1 ZINC000922416973 1322524973 /nfs/dbraw/zinc/52/49/73/1322524973.db2.gz FFFCUSWXBQNKID-UHFFFAOYSA-N 0 1 345.892 3.047 10 10 EGCEMN CC[C@H]([NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1)c1ccc(C(F)(F)F)cc1[O-] ZINC000926944521 1327787968 /nfs/dbraw/zinc/78/79/68/1327787968.db2.gz PZQXBTAOBMHHNK-ILHHOCCXSA-N 0 1 345.361 3.256 10 10 EGCEMN Cc1cc(Br)c([O-])c(C[N@H+]2C[C@@H]3CCC[C@]3(CO)C2)c1 ZINC000862528595 1329492195 /nfs/dbraw/zinc/49/21/95/1329492195.db2.gz BRMPHLIRNPFYIK-XJKSGUPXSA-N 0 1 340.261 3.058 10 10 EGCEMN Cc1cc(C2(NCc3ccc(N(C)C)cc3C)CCOCC2)on1 ZINC000862542569 1329495008 /nfs/dbraw/zinc/49/50/08/1329495008.db2.gz TWJPSSIWQILZSV-UHFFFAOYSA-N 0 1 329.444 3.153 10 10 EGCEMN CCOC(=O)c1cc(CN[C@H]2C[C@H](C)c3c2c(O)ccc3F)on1 ZINC000866515233 1330120696 /nfs/dbraw/zinc/12/06/96/1330120696.db2.gz DTABZOGOXAGCOZ-CABZTGNLSA-N 0 1 334.347 3.034 10 10 EGCEMN CCOC(=O)/C=C/C[N@H+](CC)Cc1cc(Br)ccc1[O-] ZINC001191269811 1367463926 /nfs/dbraw/zinc/46/39/26/1367463926.db2.gz XDIVRURYARWXNG-AATRIKPKSA-N 0 1 342.233 3.096 10 10 EGCEMN CCOC(=O)/C=C/C[N@@H+](CC)Cc1cc(Br)ccc1[O-] ZINC001191269811 1367463928 /nfs/dbraw/zinc/46/39/28/1367463928.db2.gz XDIVRURYARWXNG-AATRIKPKSA-N 0 1 342.233 3.096 10 10 EGCEMN CC1CCN(c2ccc(CNC(=O)[C@@H]3CCN3C(C)(C)C)cc2)CC1 ZINC001136705239 1377416351 /nfs/dbraw/zinc/41/63/51/1377416351.db2.gz GHMSOMUICDPWPW-IBGZPJMESA-N 0 1 343.515 3.412 10 10 EGCEMN C[C@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)c1cc(Cl)ccc1[O-] ZINC000185060745 455494386 /nfs/dbraw/zinc/49/43/86/455494386.db2.gz NJNNJYDDPXLIMG-GXTWGEPZSA-N 0 1 332.835 3.155 10 10 EGCEMN Cc1cc(C[C@H](C)[NH2+][C@@H](C)c2ccc(Br)cc2[O-])[nH]n1 ZINC000186131502 455699070 /nfs/dbraw/zinc/69/90/70/455699070.db2.gz UXDZAQXTJKFVTC-ONGXEEELSA-N 0 1 338.249 3.468 10 10 EGCEMN Cc1cc(C[C@H](C)[NH2+][C@@H](C)c2ccc(Br)cc2[O-])n[nH]1 ZINC000186131502 455699082 /nfs/dbraw/zinc/69/90/82/455699082.db2.gz UXDZAQXTJKFVTC-ONGXEEELSA-N 0 1 338.249 3.468 10 10 EGCEMN C[C@H]([NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12)c1cc(Br)ccc1[O-] ZINC000251521953 455792020 /nfs/dbraw/zinc/79/20/20/455792020.db2.gz CTLIXVNQHIQNRT-GVAXYQGFSA-N 0 1 326.234 3.373 10 10 EGCEMN COc1ccc([C@H](CO)[N@@H+](C)Cc2cc(Cl)c(F)cc2[O-])cc1 ZINC000295415866 455848558 /nfs/dbraw/zinc/84/85/58/455848558.db2.gz RYCIZQWDOHWNKS-INIZCTEOSA-N 0 1 339.794 3.359 10 10 EGCEMN Cc1noc([C@H]2CCC[N@@H+](Cc3cc(Cl)c(F)cc3[O-])C2)n1 ZINC000295462294 455850197 /nfs/dbraw/zinc/85/01/97/455850197.db2.gz WACQEZBIRQNHKZ-JTQLQIEISA-N 0 1 325.771 3.256 10 10 EGCEMN Cc1cc(C(=O)N[C@H]2CCc3nc[nH]c3C2)c(C)n1-c1ccccc1C ZINC000378309619 457389637 /nfs/dbraw/zinc/38/96/37/457389637.db2.gz PBVVCIYVMXEJQP-INIZCTEOSA-N 0 1 348.450 3.413 10 10 EGCEMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N(C)CC2CC2)C1 ZINC000435525303 458158756 /nfs/dbraw/zinc/15/87/56/458158756.db2.gz CZYOYHDGWQNHIF-UHFFFAOYSA-N 0 1 339.483 3.276 10 10 EGCEMN CC[N@@H+](CCN(C)C)Cc1cc(Cl)cc(Br)c1[O-] ZINC000708076515 1298233393 /nfs/dbraw/zinc/23/33/93/1298233393.db2.gz VXWMNTUGWRTCJC-UHFFFAOYSA-N 0 1 335.673 3.192 10 10 EGCEMN CCN(CC[NH+](C)C)Cc1cc(Cl)cc(Br)c1[O-] ZINC000708076515 1298233401 /nfs/dbraw/zinc/23/34/01/1298233401.db2.gz VXWMNTUGWRTCJC-UHFFFAOYSA-N 0 1 335.673 3.192 10 10 EGCEMN [O-]c1ccc(Br)cc1C[NH2+]C[C@@H]1CC2(CCC2)CO1 ZINC000886288560 1303422691 /nfs/dbraw/zinc/42/26/91/1303422691.db2.gz BPJIKUXJKMYJQJ-ZDUSSCGKSA-N 0 1 326.234 3.204 10 10 EGCEMN Cc1cc([O-])c(C[NH2+]C[C@@H]2CC[C@]3(CO[C@@H](C)C3)O2)c(Cl)c1 ZINC000886330324 1303436500 /nfs/dbraw/zinc/43/65/00/1303436500.db2.gz QQCVWNLHSAIGKH-DCGLDWPTSA-N 0 1 325.836 3.170 10 10 EGCEMN [O-]c1c(F)cc(F)cc1C[N@@H+]1CCC[C@](CO)(c2ccccc2)C1 ZINC000894677356 1309018019 /nfs/dbraw/zinc/01/80/19/1309018019.db2.gz ZMUJRCGZNZMVFK-IBGZPJMESA-N 0 1 333.378 3.197 10 10 EGCEMN [O-]c1cc(Br)ccc1C[NH2+]C[C@H]1CC2(CCC2)CO1 ZINC000895789180 1309521150 /nfs/dbraw/zinc/52/11/50/1309521150.db2.gz MIRZQZMJHHWODS-CYBMUJFWSA-N 0 1 326.234 3.204 10 10 EGCEMN [O-]c1c(F)cc(Br)cc1C[N@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000895845890 1309554394 /nfs/dbraw/zinc/55/43/94/1309554394.db2.gz RGSBDAGGDMHUQZ-IINYFYTJSA-N 0 1 344.224 3.295 10 10 EGCEMN O=C(NC[C@H]1CCN1C1CCCC1)c1cc2cc(O)c(O)cc2s1 ZINC000899142273 1310951341 /nfs/dbraw/zinc/95/13/41/1310951341.db2.gz UEZBJRYYCVILHJ-CYBMUJFWSA-N 0 1 346.452 3.059 10 10 EGCEMN C[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)O1)c1cc(Cl)ccc1[O-] ZINC000927017995 1327822345 /nfs/dbraw/zinc/82/23/45/1327822345.db2.gz XJVCAYMZQMHXQA-JSGCOSHPSA-N 0 1 325.836 3.424 10 10 EGCEMN C[C@H]([NH2+]CCOC1CCOCC1)c1ccc(Br)cc1[O-] ZINC000927077685 1327847574 /nfs/dbraw/zinc/84/75/74/1327847574.db2.gz BLCXTIYSFSAOAB-NSHDSACASA-N 0 1 344.249 3.001 10 10 EGCEMN [O-]c1cccc(Br)c1C[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000862252986 1329472079 /nfs/dbraw/zinc/47/20/79/1329472079.db2.gz YZKLRMJVCKOWIA-SMDDNHRTSA-N 0 1 326.234 3.156 10 10 EGCEMN [O-]c1cccc(Br)c1C[N@H+]1CCC[C@H]2COCC[C@H]21 ZINC000862252986 1329472080 /nfs/dbraw/zinc/47/20/80/1329472080.db2.gz YZKLRMJVCKOWIA-SMDDNHRTSA-N 0 1 326.234 3.156 10 10 EGCEMN COC(=O)Cc1ccc(C[NH2+]Cc2cc(Cl)c(C)cc2[O-])cc1 ZINC000862446508 1329487960 /nfs/dbraw/zinc/48/79/60/1329487960.db2.gz FQQNSGBOLNSZKE-UHFFFAOYSA-N 0 1 333.815 3.359 10 10 EGCEMN C[NH+]1CCN(c2ccc(C[NH2+][C@H](CF)c3ccc(F)cc3)cc2)CC1 ZINC000865823030 1329742336 /nfs/dbraw/zinc/74/23/36/1329742336.db2.gz QVFOCAQEADVBOR-HXUWFJFHSA-N 0 1 345.437 3.378 10 10 EGCEMN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H](C3CCOCC3)C2)c1[O-] ZINC000933076787 1329859722 /nfs/dbraw/zinc/85/97/22/1329859722.db2.gz BOUFPSYGCLGWEM-HNNXBMFYSA-N 0 1 335.419 3.373 10 10 EGCEMN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H](C3CCOCC3)C2)c1[O-] ZINC000933076787 1329859724 /nfs/dbraw/zinc/85/97/24/1329859724.db2.gz BOUFPSYGCLGWEM-HNNXBMFYSA-N 0 1 335.419 3.373 10 10 EGCEMN C[C@H](NC(=O)NC[C@H](c1ccc(F)cc1)N(C)C)c1ccccc1O ZINC000868278149 1330267051 /nfs/dbraw/zinc/26/70/51/1330267051.db2.gz HUQWADAUYHEZAD-SUMWQHHRSA-N 0 1 345.418 3.194 10 10 EGCEMN CC(C)c1ncc(CNC(=O)c2cc3cc(O)c(O)cc3s2)[nH]1 ZINC001157125314 1380782035 /nfs/dbraw/zinc/78/20/35/1380782035.db2.gz VHWFYCWCLRDNFS-UHFFFAOYSA-N 0 1 331.397 3.089 10 10 EGCEMN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H](C)C2=NN(C)CC2=O)cc1 ZINC001158295229 1381188241 /nfs/dbraw/zinc/18/82/41/1381188241.db2.gz DZAASJCKUNUCMG-CQSZACIVSA-N 0 1 338.411 3.024 10 10 EGCEMN O=C(Cc1[nH]nc2ccccc21)NCc1c(O)ccc2ccccc21 ZINC001304089629 1383828984 /nfs/dbraw/zinc/82/89/84/1383828984.db2.gz DQDHLLUUROQUAD-UHFFFAOYSA-N 0 1 331.375 3.281 10 10 EGCEMN CCN(C)c1ccc(CN2CCOc3ccccc3[C@@H]2CO)cc1 ZINC001308103986 1384092655 /nfs/dbraw/zinc/09/26/55/1384092655.db2.gz AZVABTCDNLSTPD-IBGZPJMESA-N 0 1 326.440 3.071 10 10 EGCEMN CO[C@H]1CC[C@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC001342429538 1390611806 /nfs/dbraw/zinc/61/18/06/1390611806.db2.gz HNWIMSCRYXEVFB-QWRGUYRKSA-N 0 1 333.215 3.066 10 10 EGCEMN Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2NCc1nnc(C2CCOCC2)[nH]1 ZINC001335520963 1390697994 /nfs/dbraw/zinc/69/79/94/1390697994.db2.gz KFGFLHUZFYDNJG-JSGCOSHPSA-N 0 1 342.443 3.051 10 10 EGCEMN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NC23CCN(CC2)C3)c1 ZINC001354111502 1392121082 /nfs/dbraw/zinc/12/10/82/1392121082.db2.gz PDKWMOCYWGAPDI-UHFFFAOYSA-N 0 1 343.858 3.326 10 10 EGCEMN CN(CC(=O)NC(C)(C)C)Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000054441809 214238853 /nfs/dbraw/zinc/23/88/53/214238853.db2.gz WBOGCAWPEBCFAM-UHFFFAOYSA-N 0 1 344.455 3.364 10 10 EGCEMN C[N@H+](CC(=O)NC(C)(C)C)Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000054441809 214238856 /nfs/dbraw/zinc/23/88/56/214238856.db2.gz WBOGCAWPEBCFAM-UHFFFAOYSA-N 0 1 344.455 3.364 10 10 EGCEMN C[N@@H+](CC(=O)NC(C)(C)C)Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000054441809 214238858 /nfs/dbraw/zinc/23/88/58/214238858.db2.gz WBOGCAWPEBCFAM-UHFFFAOYSA-N 0 1 344.455 3.364 10 10 EGCEMN Cn1cc(C[N@@H+](C)Cc2cccc(Cl)c2[O-])c(C(F)(F)F)n1 ZINC000180771215 455242511 /nfs/dbraw/zinc/24/25/11/455242511.db2.gz XZZZBDHYDYJKDA-UHFFFAOYSA-N 0 1 333.741 3.430 10 10 EGCEMN CCOc1ccc(O)c(CN(C)Cc2ccc([S@@](C)=O)cc2)c1 ZINC000093713049 454730660 /nfs/dbraw/zinc/73/06/60/454730660.db2.gz DXDCQAGISJAVAW-QHCPKHFHSA-N 0 1 333.453 3.160 10 10 EGCEMN CNC(=O)c1ccc(C[N@@H+](C)Cc2cc(Cl)cc(C)c2O)cc1 ZINC000179614621 455061844 /nfs/dbraw/zinc/06/18/44/455061844.db2.gz WWAGTLPIXYOKNL-UHFFFAOYSA-N 0 1 332.831 3.346 10 10 EGCEMN O=C(c1ccccc1)N1CCC([NH2+]Cc2c([O-])cccc2Cl)CC1 ZINC000264945667 455297911 /nfs/dbraw/zinc/29/79/11/455297911.db2.gz ILKPMYRPGPWIKF-UHFFFAOYSA-N 0 1 344.842 3.440 10 10 EGCEMN C[C@@H]([NH2+][C@H](Cc1ccccc1)C(=O)N(C)C)c1cc(Cl)ccc1[O-] ZINC000185407549 455555864 /nfs/dbraw/zinc/55/58/64/455555864.db2.gz QASFRFHUNGDPRK-CXAGYDPISA-N 0 1 346.858 3.396 10 10 EGCEMN C[C@H]([NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C)c1cc(F)ccc1[O-] ZINC000185473582 455562738 /nfs/dbraw/zinc/56/27/38/455562738.db2.gz MWEQBOKLJBJNGG-VCBZYWHSSA-N 0 1 343.446 3.488 10 10 EGCEMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000294591290 455820795 /nfs/dbraw/zinc/82/07/95/455820795.db2.gz HKQOEBFCQZCNNM-UWVGGRQHSA-N 0 1 341.732 3.177 10 10 EGCEMN Cc1cc(Cl)cc(CN2C[C@H](C)OC3(CCOCC3)C2)c1O ZINC000280527278 455989526 /nfs/dbraw/zinc/98/95/26/455989526.db2.gz RLCLSRLDPBFNSC-ZDUSSCGKSA-N 0 1 325.836 3.124 10 10 EGCEMN C[C@H]([NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1cc(F)ccc1[O-] ZINC000273470334 456233341 /nfs/dbraw/zinc/23/33/41/456233341.db2.gz RXFPMQCYALHAAO-QWHCGFSZSA-N 0 1 338.423 3.439 10 10 EGCEMN COc1ccc(O)c([C@H](C)N[C@@H](C)c2nnc3n2CCCCC3)c1 ZINC000373931005 457407069 /nfs/dbraw/zinc/40/70/69/457407069.db2.gz AAXYDLDGJUCIOJ-STQMWFEESA-N 0 1 330.432 3.131 10 10 EGCEMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@@H](C)C2CC2)C1 ZINC000435615482 458173044 /nfs/dbraw/zinc/17/30/44/458173044.db2.gz JDUQJPQXKKHJMG-HNNXBMFYSA-N 0 1 339.483 3.323 10 10 EGCEMN CC[C@H]1CN(Cc2cc(Cl)cc(C)c2O)C[C@@]2(CCOC2)O1 ZINC000373484795 458506665 /nfs/dbraw/zinc/50/66/65/458506665.db2.gz YDOYLCVEKJNDPN-DOTOQJQBSA-N 0 1 325.836 3.124 10 10 EGCEMN COC(=O)[C@H]1CCC[N@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)C1 ZINC000738055119 576283386 /nfs/dbraw/zinc/28/33/86/576283386.db2.gz FTJYGUOFKGVNIR-ZDUSSCGKSA-N 0 1 343.423 3.402 10 10 EGCEMN COC(=O)[C@H]1CCC[N@@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)C1 ZINC000738055119 576283389 /nfs/dbraw/zinc/28/33/89/576283389.db2.gz FTJYGUOFKGVNIR-ZDUSSCGKSA-N 0 1 343.423 3.402 10 10 EGCEMN CCO[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708075794 1298233184 /nfs/dbraw/zinc/23/31/84/1298233184.db2.gz PHLBPKJYQPUKNA-LLVKDONJSA-N 0 1 334.641 3.419 10 10 EGCEMN [O-]c1c(F)cc(Br)cc1C[N@H+]1CCC12CCOCC2 ZINC000894570660 1308959694 /nfs/dbraw/zinc/95/96/94/1308959694.db2.gz DPUUWSROJAAKOS-UHFFFAOYSA-N 0 1 330.197 3.049 10 10 EGCEMN C[N@H+](Cc1cc(F)cc(F)c1[O-])C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000895477431 1309357694 /nfs/dbraw/zinc/35/76/94/1309357694.db2.gz UQJJNJYAQVHHHM-OAHLLOKOSA-N 0 1 348.349 3.128 10 10 EGCEMN [O-]c1ccc(Br)cc1C[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000895848464 1309557174 /nfs/dbraw/zinc/55/71/74/1309557174.db2.gz ZMPUOVJCMNWPCF-NHYWBVRUSA-N 0 1 326.234 3.156 10 10 EGCEMN [O-]c1ccc(Br)cc1C[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000895848464 1309557182 /nfs/dbraw/zinc/55/71/82/1309557182.db2.gz ZMPUOVJCMNWPCF-NHYWBVRUSA-N 0 1 326.234 3.156 10 10 EGCEMN Oc1ccc(Cl)cc1CN1CCC[C@@H](Nc2nccnc2F)C1 ZINC000858405858 1328754409 /nfs/dbraw/zinc/75/44/09/1328754409.db2.gz STJDALFEFYSWQY-CYBMUJFWSA-N 0 1 336.798 3.051 10 10 EGCEMN C[C@@]12COC[C@]1(C)C[N@@H+](Cc1c([O-])cccc1Br)C2 ZINC000862412165 1329484141 /nfs/dbraw/zinc/48/41/41/1329484141.db2.gz LVAGZFVIPHXQKL-GASCZTMLSA-N 0 1 326.234 3.013 10 10 EGCEMN C[C@@]12COC[C@]1(C)C[N@H+](Cc1c([O-])cccc1Br)C2 ZINC000862412165 1329484142 /nfs/dbraw/zinc/48/41/42/1329484142.db2.gz LVAGZFVIPHXQKL-GASCZTMLSA-N 0 1 326.234 3.013 10 10 EGCEMN [O-]c1cccc(Br)c1C[NH2+]C[C@@H]1CCC12CCOCC2 ZINC000865777284 1329737340 /nfs/dbraw/zinc/73/73/40/1329737340.db2.gz WEIJXONLCJNIBQ-LBPRGKRZSA-N 0 1 340.261 3.451 10 10 EGCEMN C[C@H]([NH2+][C@H]1CCN(CC(C)(C)O)C1)c1ccc2ccccc2c1[O-] ZINC000866412133 1330108479 /nfs/dbraw/zinc/10/84/79/1330108479.db2.gz DVPXAJVSZPRGOI-HOCLYGCPSA-N 0 1 328.456 3.041 10 10 EGCEMN C[C@H]([NH2+][C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23)c1ccc(Br)cc1[O-] ZINC000866446394 1330113525 /nfs/dbraw/zinc/11/35/25/1330113525.db2.gz VBRIZWBDELDPMZ-RFEWNFQQSA-N 0 1 338.245 3.229 10 10 EGCEMN COC(=O)N(C)CC[N@H+](C)Cc1cc2oc3ccccc3c2cc1[O-] ZINC001118532904 1371194533 /nfs/dbraw/zinc/19/45/33/1371194533.db2.gz ZXELILLQODZXHF-UHFFFAOYSA-N 0 1 342.395 3.422 10 10 EGCEMN COC(=O)N(C)CC[N@@H+](C)Cc1cc2oc3ccccc3c2cc1[O-] ZINC001118532904 1371194536 /nfs/dbraw/zinc/19/45/36/1371194536.db2.gz ZXELILLQODZXHF-UHFFFAOYSA-N 0 1 342.395 3.422 10 10 EGCEMN C[C@H](NC(=O)c1ccc(CN2CCCC2)o1)c1ccc(N(C)C)cc1 ZINC001154668002 1380328140 /nfs/dbraw/zinc/32/81/40/1380328140.db2.gz BFZBJGXEEZFNAO-HNNXBMFYSA-N 0 1 341.455 3.432 10 10 EGCEMN CC(C)[N@H+]1CCC[C@@H](C(=O)NCc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001160600139 1382150005 /nfs/dbraw/zinc/15/00/05/1382150005.db2.gz POLJAXDCGBTZET-LLVKDONJSA-N 0 1 345.270 3.436 10 10 EGCEMN O=C(Nc1nc2ccccc2n1C1CC1)c1c(F)ccc(O)c1O ZINC001161021171 1382276324 /nfs/dbraw/zinc/27/63/24/1382276324.db2.gz MERFLYWADHZHTQ-UHFFFAOYSA-N 0 1 327.315 3.174 10 10 EGCEMN O=C(NCc1cccc(O)c1O)c1cn[nH]c1-c1ccc(Cl)s1 ZINC001303194593 1383787487 /nfs/dbraw/zinc/78/74/87/1383787487.db2.gz GKIWNHWQNGFMSP-UHFFFAOYSA-N 0 1 349.799 3.133 10 10 EGCEMN CN(C)c1ccc(CN(c2nc(Cl)nc3[nH]cnc32)C2CC2)cc1 ZINC001306936549 1383923291 /nfs/dbraw/zinc/92/32/91/1383923291.db2.gz BFRMFFFJDGOPME-UHFFFAOYSA-N 0 1 342.834 3.241 10 10 EGCEMN CCCN1CCCN(Cc2ccc(N3CCCCC3)c(C)c2)CC1=O ZINC001169354076 1384139652 /nfs/dbraw/zinc/13/96/52/1384139652.db2.gz TZGDLHRDYOJMCF-UHFFFAOYSA-N 0 1 343.515 3.430 10 10 EGCEMN Cc1ccc(CNCc2ccc3c(c2)CCO3)c(O[C@H]2CCOC2)c1 ZINC000089623630 454168600 /nfs/dbraw/zinc/16/86/00/454168600.db2.gz VNQLIHCASJXJNK-IBGZPJMESA-N 0 1 339.435 3.387 10 10 EGCEMN Cc1nn(C)c(N(C)C)c1CNCc1ccc(N2CCCCC2)cc1 ZINC000058415087 454200282 /nfs/dbraw/zinc/20/02/82/454200282.db2.gz UGSWVUBKWONTQP-UHFFFAOYSA-N 0 1 341.503 3.075 10 10 EGCEMN CCc1ccc([C@@H](O)CN2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000065255257 454544081 /nfs/dbraw/zinc/54/40/81/454544081.db2.gz VWBGUZQFFJYOGI-NRFANRHFSA-N 0 1 340.467 3.113 10 10 EGCEMN C[C@H]1CN(C2CC[NH+](Cc3c([O-])ccc4ccccc43)CC2)CCO1 ZINC000151996523 455059030 /nfs/dbraw/zinc/05/90/30/455059030.db2.gz TXGWMHGWAURPMY-INIZCTEOSA-N 0 1 340.467 3.231 10 10 EGCEMN CCCCN(Cc1cc(Cl)cc(C)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000179568037 455059081 /nfs/dbraw/zinc/05/90/81/455059081.db2.gz RHRLQYRARUEPRS-HNNXBMFYSA-N 0 1 345.892 3.143 10 10 EGCEMN Oc1cc(OCc2ccccc2)ccc1C[N@@H+]1[C@@H]2CC[C@H]1CC(O)C2 ZINC000182978006 455203019 /nfs/dbraw/zinc/20/30/19/455203019.db2.gz PPQBEGIORCXUNA-DFNIBXOVSA-N 0 1 339.435 3.459 10 10 EGCEMN Cc1nnc([C@@H](NCc2c(O)ccc(Cl)c2F)c2ccccc2)[nH]1 ZINC000190942015 455411152 /nfs/dbraw/zinc/41/11/52/455411152.db2.gz RTEQPAJWCUARQI-INIZCTEOSA-N 0 1 346.793 3.490 10 10 EGCEMN Cc1nc(C2(NCc3cc(Cl)c(F)cc3O)CCCC2)no1 ZINC000293783677 455796905 /nfs/dbraw/zinc/79/69/05/455796905.db2.gz BFLCRFDIXKURNM-UHFFFAOYSA-N 0 1 325.771 3.435 10 10 EGCEMN CCOc1ccc(O)c(CNCc2cccc(C(F)(F)F)n2)c1 ZINC000294746210 455826049 /nfs/dbraw/zinc/82/60/49/455826049.db2.gz HRNRPIJNXILSBW-UHFFFAOYSA-N 0 1 326.318 3.495 10 10 EGCEMN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000294795515 455828568 /nfs/dbraw/zinc/82/85/68/455828568.db2.gz VOKDXSNKTAVBTG-OQPBUACISA-N 0 1 341.732 3.320 10 10 EGCEMN CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000295384762 455847874 /nfs/dbraw/zinc/84/78/74/455847874.db2.gz PHODFIPPFQIZJE-GFCCVEGCSA-N 0 1 342.842 3.313 10 10 EGCEMN Cc1nnnn1-c1cccc(N[C@H](C)c2ccc(F)c(F)c2O)c1 ZINC000187891822 455965447 /nfs/dbraw/zinc/96/54/47/455965447.db2.gz WFGMPCRIIGHMSV-SECBINFHSA-N 0 1 331.326 3.128 10 10 EGCEMN Cc1cc(Cl)cc(CN2C[C@@H](C)OC3(CCOCC3)C2)c1O ZINC000280527269 455990178 /nfs/dbraw/zinc/99/01/78/455990178.db2.gz RLCLSRLDPBFNSC-CYBMUJFWSA-N 0 1 325.836 3.124 10 10 EGCEMN CC1CCN(c2ccc(CNCc3cn4cccnc4n3)cc2)CC1 ZINC000298447568 456459178 /nfs/dbraw/zinc/45/91/78/456459178.db2.gz NTSLBEDKLJWUKX-UHFFFAOYSA-N 0 1 335.455 3.255 10 10 EGCEMN Oc1ccc(Cl)c(F)c1CN[C@@H](c1nc[nH]n1)c1ccccc1 ZINC000366785484 457899041 /nfs/dbraw/zinc/89/90/41/457899041.db2.gz DCSMTIYXKLCJMY-OAHLLOKOSA-N 0 1 332.766 3.182 10 10 EGCEMN O=C1C[C@H]([C@@H]2CCCC[N@@H+]2Cc2cc(Cl)cc(Cl)c2[O-])CN1 ZINC000367542803 457963484 /nfs/dbraw/zinc/96/34/84/457963484.db2.gz SQQRMJHFTZDEAO-HZMBPMFUSA-N 0 1 343.254 3.190 10 10 EGCEMN O=C(Nc1cccc(C2CCOCC2)c1)c1c(F)ccc(O)c1O ZINC000530273999 458738183 /nfs/dbraw/zinc/73/81/83/458738183.db2.gz LOZNKNQFGOTFJD-UHFFFAOYSA-N 0 1 331.343 3.383 10 10 EGCEMN [O-]c1ccc(Br)cc1C[NH2+]C[C@H]1CCN1C1CCCC1 ZINC000527804823 459741417 /nfs/dbraw/zinc/74/14/17/459741417.db2.gz BTTPRHLZUSCDIQ-OAHLLOKOSA-N 0 1 339.277 3.261 10 10 EGCEMN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000528272498 459801026 /nfs/dbraw/zinc/80/10/26/459801026.db2.gz BBTRHQJFFXLBIU-LOKDSWTASA-N 0 1 347.242 3.310 10 10 EGCEMN CO[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708138538 1298234463 /nfs/dbraw/zinc/23/44/63/1298234463.db2.gz CEUBWQIXFPMXMN-LLVKDONJSA-N 0 1 334.641 3.419 10 10 EGCEMN Cc1cc(O)ccc1NS(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000077899843 1292489706 /nfs/dbraw/zinc/48/97/06/1292489706.db2.gz WUNOMOIHMUOSGK-UHFFFAOYSA-N 0 1 333.196 3.203 10 10 EGCEMN [O-]c1c(F)cc(Br)cc1C[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000895845893 1309554341 /nfs/dbraw/zinc/55/43/41/1309554341.db2.gz RGSBDAGGDMHUQZ-YGRLFVJLSA-N 0 1 344.224 3.295 10 10 EGCEMN [O-]c1cccc(Br)c1C[NH2+][C@@H](C1CC1)C1CCOCC1 ZINC000858184535 1328705911 /nfs/dbraw/zinc/70/59/11/1328705911.db2.gz LVKCTJYFXRJSEZ-INIZCTEOSA-N 0 1 340.261 3.450 10 10 EGCEMN COc1ccc(N2CC[C@H](N[C@H]3CCCc4scnc43)C2)cc1 ZINC000858431576 1328761028 /nfs/dbraw/zinc/76/10/28/1328761028.db2.gz ZCYJCEJMSBDOKS-BBRMVZONSA-N 0 1 329.469 3.398 10 10 EGCEMN C[C@@H]([NH2+]C[C@@H]1CCC2(CCOCC2)O1)c1ccc(Cl)cc1[O-] ZINC000927012740 1327820433 /nfs/dbraw/zinc/82/04/33/1327820433.db2.gz BETGIUKAHXHPSB-OCCSQVGLSA-N 0 1 325.836 3.424 10 10 EGCEMN Oc1cccc(Br)c1CN1CCC[C@H](OC(F)F)C1 ZINC000862309509 1329475247 /nfs/dbraw/zinc/47/52/47/1329475247.db2.gz RIJNXLQZOONXIH-VIFPVBQESA-N 0 1 336.176 3.358 10 10 EGCEMN CCOC(=O)c1cc(CN[C@H](CC)c2ccc(N(C)C)cc2)on1 ZINC000866514695 1330120502 /nfs/dbraw/zinc/12/05/02/1330120502.db2.gz PTNBPAMZNBIRTI-MRXNPFEDSA-N 0 1 331.416 3.158 10 10 EGCEMN Cc1ccc(F)c(-c2cc(NC(=O)c3c(F)ccc(O)c3O)n[nH]2)c1 ZINC001183202794 1387278131 /nfs/dbraw/zinc/27/81/31/1387278131.db2.gz CMOKFNBYHHIVIU-UHFFFAOYSA-N 0 1 345.305 3.327 10 10 EGCEMN CN1CCN(c2ccc(CNC(=O)[C@H]3CCC=CCCC3)cc2)CC1 ZINC001132903106 1375635915 /nfs/dbraw/zinc/63/59/15/1375635915.db2.gz SMXCKSNLGODESA-IBGZPJMESA-N 0 1 341.499 3.191 10 10 EGCEMN C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)Cc1ccn[nH]1 ZINC001152396318 1379926322 /nfs/dbraw/zinc/92/63/22/1379926322.db2.gz WIUZBGIDMJNNOW-HNNXBMFYSA-N 0 1 335.407 3.448 10 10 EGCEMN CC[C@@H]1CCC[C@]1(C)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC001288334089 1381782387 /nfs/dbraw/zinc/78/23/87/1381782387.db2.gz BTWSDSVFSMPJAH-NQIIRXRSSA-N 0 1 343.515 3.271 10 10 EGCEMN CC(C)C[N@H+]1CCC[C@H]1C(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC001160599508 1382150468 /nfs/dbraw/zinc/15/04/68/1382150468.db2.gz LHLPAWYKURUCMX-AWEZNQCLSA-N 0 1 345.270 3.436 10 10 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CC[N@@H+](CCc1nccs1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000093764504 454732622 /nfs/dbraw/zinc/73/26/22/454732622.db2.gz UJWGFQVGGARXEK-UHFFFAOYSA-N 0 1 341.820 3.475 10 10 EGCEMN COc1cc(O)c(CN2C[C@@H](C)O[C@H](c3ccccc3)C2)cc1OC ZINC000245512549 455318525 /nfs/dbraw/zinc/31/85/25/455318525.db2.gz AHFFZMCXDPDGFE-VLIAUNLRSA-N 0 1 343.423 3.371 10 10 EGCEMN C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CO)c1ccc(Br)cc1[O-] ZINC000185507785 455570270 /nfs/dbraw/zinc/57/02/70/455570270.db2.gz HHEDYKSKSGAKBV-MISXGVKJSA-N 0 1 328.250 3.356 10 10 EGCEMN CC(=O)c1cc(F)cc(C[NH2+][C@H](C)[C@H]2COc3ccccc32)c1[O-] ZINC000185605395 455584184 /nfs/dbraw/zinc/58/41/84/455584184.db2.gz IENCFCDWNRBTHR-PIGZYNQJSA-N 0 1 329.371 3.388 10 10 EGCEMN Cc1cc(C[C@@H](C)[NH2+][C@H](C)c2cc(Br)ccc2[O-])[nH]n1 ZINC000186130441 455699114 /nfs/dbraw/zinc/69/91/14/455699114.db2.gz OYIXOTVWKQHLHG-MWLCHTKSSA-N 0 1 338.249 3.468 10 10 EGCEMN C[C@@H]1C[C@@H](C[NH2+]Cc2cc(Br)ccc2[O-])C[C@H](C)O1 ZINC000282174057 456432635 /nfs/dbraw/zinc/43/26/35/456432635.db2.gz JLTBQLIYQNCRIW-ZSBIGDGJSA-N 0 1 328.250 3.448 10 10 EGCEMN Cc1noc(C)c1CO[C@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000377671224 458508815 /nfs/dbraw/zinc/50/88/15/458508815.db2.gz GIUHCPUWWJFVNO-AWEZNQCLSA-N 0 1 336.819 3.442 10 10 EGCEMN C[C@@H](NCC(=O)NCc1ccc(N(C)C)cc1)c1ccc(Cl)cc1 ZINC000072823630 1292294470 /nfs/dbraw/zinc/29/44/70/1292294470.db2.gz BPLPRMAOOMYMRO-CQSZACIVSA-N 0 1 345.874 3.373 10 10 EGCEMN CCOCC[NH+](CCOCC)Cc1cc(Br)ccc1[O-] ZINC000211716617 1296105597 /nfs/dbraw/zinc/10/55/97/1296105597.db2.gz CNSXKUWFJCOQKQ-UHFFFAOYSA-N 0 1 346.265 3.030 10 10 EGCEMN COc1ccc(CNCc2cnc(Cl)s2)cc1Cn1cccn1 ZINC000895152793 1309214030 /nfs/dbraw/zinc/21/40/30/1309214030.db2.gz XLHHLNCTKDFNGG-UHFFFAOYSA-N 0 1 348.859 3.340 10 10 EGCEMN C[C@]12COC[C@@H]1C[N@@H+](Cc1cc(Cl)cc(Br)c1[O-])C2 ZINC000895275745 1309266641 /nfs/dbraw/zinc/26/66/41/1309266641.db2.gz OXRCCEBSYNDHST-HZMBPMFUSA-N 0 1 346.652 3.276 10 10 EGCEMN CC(C)(O)[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000895476855 1309358176 /nfs/dbraw/zinc/35/81/76/1309358176.db2.gz BZNYJOMTDHUCPM-JTQLQIEISA-N 0 1 348.668 3.401 10 10 EGCEMN Cc1cc(N(C)C)ccc1CNCc1ccnc(-c2ccccn2)n1 ZINC000895609229 1309428306 /nfs/dbraw/zinc/42/83/06/1309428306.db2.gz HXZQLLWLQMUECN-UHFFFAOYSA-N 0 1 333.439 3.203 10 10 EGCEMN Cc1cc([O-])c(C[NH2+]C[C@@H]2CC[C@]3(CO[C@H](C)C3)O2)cc1Cl ZINC000895817918 1309533046 /nfs/dbraw/zinc/53/30/46/1309533046.db2.gz MPTOOVMOTBMASE-IFIJOSMWSA-N 0 1 325.836 3.170 10 10 EGCEMN [O-]c1cccc(Br)c1C[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000895844123 1309552424 /nfs/dbraw/zinc/55/24/24/1309552424.db2.gz METVVMGFEQVVTF-NHYWBVRUSA-N 0 1 326.234 3.156 10 10 EGCEMN [O-]c1cccc(Br)c1C[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000895844123 1309552429 /nfs/dbraw/zinc/55/24/29/1309552429.db2.gz METVVMGFEQVVTF-NHYWBVRUSA-N 0 1 326.234 3.156 10 10 EGCEMN Cc1cc(Br)c([O-])c(C[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)c1 ZINC000895848479 1309557356 /nfs/dbraw/zinc/55/73/56/1309557356.db2.gz RJYRZGYFJUJHQO-WFASDCNBSA-N 0 1 340.261 3.464 10 10 EGCEMN O=c1ccc2c([nH]1)CCC[C@H]2[NH2+]Cc1c([O-])cccc1Br ZINC000858116067 1328686420 /nfs/dbraw/zinc/68/64/20/1328686420.db2.gz REKFJNMSBQZSGJ-CYBMUJFWSA-N 0 1 349.228 3.423 10 10 EGCEMN [O-]c1cccc(Cl)c1C[NH2+]CC1(OCCO)CCC(F)(F)CC1 ZINC000858236467 1328718669 /nfs/dbraw/zinc/71/86/69/1328718669.db2.gz NWWMRZMQAGOVSX-UHFFFAOYSA-N 0 1 349.805 3.092 10 10 EGCEMN C[C@H]([NH2+][C@H]1CO[C@H](C2CC2)C1)c1cc(Br)ccc1[O-] ZINC000858548943 1328792876 /nfs/dbraw/zinc/79/28/76/1328792876.db2.gz XOBIMQKRLPWXOU-UAKXVISKSA-N 0 1 326.234 3.373 10 10 EGCEMN O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@H]1CO[C@@H](C2CC2)C1 ZINC000858909178 1328888811 /nfs/dbraw/zinc/88/88/11/1328888811.db2.gz MPVJUBHWSXHSHT-DGCLKSJQSA-N 0 1 345.226 3.066 10 10 EGCEMN CC[C@@H]([NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1)c1ccc(C(F)(F)F)cc1[O-] ZINC000926944520 1327788133 /nfs/dbraw/zinc/78/81/33/1327788133.db2.gz PZQXBTAOBMHHNK-FTYZYXLQSA-N 0 1 345.361 3.256 10 10 EGCEMN C[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)O1)c1ccc(Cl)cc1[O-] ZINC000927012739 1327820468 /nfs/dbraw/zinc/82/04/68/1327820468.db2.gz BETGIUKAHXHPSB-JSGCOSHPSA-N 0 1 325.836 3.424 10 10 EGCEMN C[C@H]1C[C@@H]1c1noc(C(=O)NCc2cc(Cl)cc(Cl)c2O)n1 ZINC000865998125 1329757973 /nfs/dbraw/zinc/75/79/73/1329757973.db2.gz WCVQHUVTQCQSSZ-RCOVLWMOSA-N 0 1 342.182 3.135 10 10 EGCEMN C[C@H]([NH2+]C[C@@H]1CC2(CO1)CCOCC2)c1ccc(Cl)cc1[O-] ZINC000866533331 1330123033 /nfs/dbraw/zinc/12/30/33/1330123033.db2.gz PUFDEASBHFQAAV-JSGCOSHPSA-N 0 1 325.836 3.282 10 10 EGCEMN CC1CCN(c2ccc(CNC(=O)[C@H]3CCN3C(C)(C)C)cc2)CC1 ZINC001136705240 1377416461 /nfs/dbraw/zinc/41/64/61/1377416461.db2.gz GHMSOMUICDPWPW-LJQANCHMSA-N 0 1 343.515 3.412 10 10 EGCEMN [O-]c1cc(Br)ccc1C[NH2+][C@@H](C1CC1)C1CCOCC1 ZINC001327839591 1388604136 /nfs/dbraw/zinc/60/41/36/1388604136.db2.gz IELOFLLHKCRPOI-INIZCTEOSA-N 0 1 340.261 3.450 10 10 EGCEMN CC[C@H]1CCC[C@]1(C)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC001288334090 1381782620 /nfs/dbraw/zinc/78/26/20/1381782620.db2.gz BTWSDSVFSMPJAH-RXVVDRJESA-N 0 1 343.515 3.271 10 10 EGCEMN Cc1oc(C[N@H+](C)C/C=C/c2ccc(N(C)C)cc2)cc1C(=O)[O-] ZINC001339118325 1389909246 /nfs/dbraw/zinc/90/92/46/1389909246.db2.gz PBMGJQPBGOOQSV-AATRIKPKSA-N 0 1 328.412 3.497 10 10 EGCEMN Cc1cccc(C)c1C[C@H]([NH2+]Cc1cc(F)cc(F)c1O)C(=O)[O-] ZINC000904071915 1126133268 /nfs/dbraw/zinc/13/32/68/1126133268.db2.gz MQPMUCNZZAZBDY-INIZCTEOSA-N 0 1 335.350 3.073 10 10 EGCEMN CCOc1cc(C[NH2+]Cc2cc(Br)ccc2[O-])ccn1 ZINC000072230528 216070635 /nfs/dbraw/zinc/07/06/35/216070635.db2.gz BMJBHWWSAFAHRC-UHFFFAOYSA-N 0 1 337.217 3.238 10 10 EGCEMN O=C1C[C@H](c2ccccc2)[N@H+](Cc2cc(Cl)ccc2[O-])CCN1 ZINC000092075722 454518216 /nfs/dbraw/zinc/51/82/16/454518216.db2.gz MYOXKTCRFBNTGN-MRXNPFEDSA-N 0 1 330.815 3.109 10 10 EGCEMN O=C1C[C@H](c2ccccc2)[N@@H+](Cc2cc(Cl)ccc2[O-])CCN1 ZINC000092075722 454518223 /nfs/dbraw/zinc/51/82/23/454518223.db2.gz MYOXKTCRFBNTGN-MRXNPFEDSA-N 0 1 330.815 3.109 10 10 EGCEMN CCCOc1ccc(C[N@H+]2CCCN(c3ccccn3)CC2)c(O)c1 ZINC000184803316 455450099 /nfs/dbraw/zinc/45/00/99/455450099.db2.gz FPURNGVYJDCFCK-UHFFFAOYSA-N 0 1 341.455 3.288 10 10 EGCEMN Cc1cc(C[C@@H](C)[NH2+][C@@H](C)c2cc(Br)ccc2[O-])[nH]n1 ZINC000186130409 455698922 /nfs/dbraw/zinc/69/89/22/455698922.db2.gz OYIXOTVWKQHLHG-KOLCDFICSA-N 0 1 338.249 3.468 10 10 EGCEMN C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000277414933 456817037 /nfs/dbraw/zinc/81/70/37/456817037.db2.gz IPIYQFTWJAVAEF-DOMZBBRYSA-N 0 1 338.423 3.266 10 10 EGCEMN C[C@H]([NH2+][C@H]1CC[C@@H](C(=O)N2CCCCC2)C1)c1cc(F)ccc1[O-] ZINC000373864099 457376044 /nfs/dbraw/zinc/37/60/44/457376044.db2.gz USDMNIBKLUJIES-LZWOXQAQSA-N 0 1 334.435 3.363 10 10 EGCEMN CC(=O)c1cc(F)cc(C[NH2+][C@H]2CCN(C)[C@@H]2c2ccccc2)c1[O-] ZINC000375063147 457776777 /nfs/dbraw/zinc/77/67/77/457776777.db2.gz CKRGRMASQOLXCD-RBUKOAKNSA-N 0 1 342.414 3.269 10 10 EGCEMN CC(=O)c1cc(F)cc(CN2CCC(c3nccc(C)n3)CC2)c1O ZINC000371823989 458088761 /nfs/dbraw/zinc/08/87/61/458088761.db2.gz UCKHJRUFEUQGAN-UHFFFAOYSA-N 0 1 343.402 3.212 10 10 EGCEMN C[C@@H]([NH2+]CCC[C@H]1CCOC1=O)c1ccc(Br)cc1[O-] ZINC000872114493 1296739940 /nfs/dbraw/zinc/73/99/40/1296739940.db2.gz WSFVCMUWZQKQAW-MNOVXSKESA-N 0 1 342.233 3.149 10 10 EGCEMN CC(C)[C@H]1CN(Cc2cc(Br)cc(F)c2O)CCO1 ZINC000715808085 1298289312 /nfs/dbraw/zinc/28/93/12/1298289312.db2.gz ZEXKMQXGHFAVOE-CYBMUJFWSA-N 0 1 332.213 3.151 10 10 EGCEMN COc1cc(OC)c(CNCc2cc(C)cc(OC)c2O)c(OC)c1 ZINC000894192128 1306269572 /nfs/dbraw/zinc/26/95/72/1306269572.db2.gz XXUZBLILTWACAG-UHFFFAOYSA-N 0 1 347.411 3.025 10 10 EGCEMN Oc1cc(F)c(Cl)cc1CN1CCn2cnc(C(F)(F)F)c2C1 ZINC000895560687 1309402813 /nfs/dbraw/zinc/40/28/13/1309402813.db2.gz XHLUQJGMRCFYQN-UHFFFAOYSA-N 0 1 349.715 3.416 10 10 EGCEMN Cc1cc([O-])c(C[NH2+]C[C@@H]2CC[C@]3(CO[C@@H](C)C3)O2)cc1Cl ZINC000895817920 1309532966 /nfs/dbraw/zinc/53/29/66/1309532966.db2.gz MPTOOVMOTBMASE-JDFRZJQESA-N 0 1 325.836 3.170 10 10 EGCEMN Cc1cnc(CCN(C)Cc2cc(F)c(N(C)C)cc2F)s1 ZINC000862250981 1329471251 /nfs/dbraw/zinc/47/12/51/1329471251.db2.gz XRRCWIZUTBFGOX-UHFFFAOYSA-N 0 1 325.428 3.470 10 10 EGCEMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H](c3ccn(C)n3)C2)c1[O-] ZINC000932135733 1329787648 /nfs/dbraw/zinc/78/76/48/1329787648.db2.gz NEFRZZMNOYDHQN-CYBMUJFWSA-N 0 1 347.846 3.361 10 10 EGCEMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H](c3ccn(C)n3)C2)c1[O-] ZINC000932135733 1329787649 /nfs/dbraw/zinc/78/76/49/1329787649.db2.gz NEFRZZMNOYDHQN-CYBMUJFWSA-N 0 1 347.846 3.361 10 10 EGCEMN CC(=O)c1cc(F)cc(C[N@@H+]2CCCC[C@@H]([C@H]3CCOC3)C2)c1[O-] ZINC000934836177 1330010916 /nfs/dbraw/zinc/01/09/16/1330010916.db2.gz NBAREISTUHGKKN-CABCVRRESA-N 0 1 335.419 3.373 10 10 EGCEMN CC(=O)c1cc(F)cc(C[N@H+]2CCCC[C@@H]([C@H]3CCOC3)C2)c1[O-] ZINC000934836177 1330010917 /nfs/dbraw/zinc/01/09/17/1330010917.db2.gz NBAREISTUHGKKN-CABCVRRESA-N 0 1 335.419 3.373 10 10 EGCEMN Clc1ccc(C2=CCN(c3nc(Cl)nc4[nH]cnc43)CC2)cn1 ZINC001185967812 1387836995 /nfs/dbraw/zinc/83/69/95/1387836995.db2.gz CJAQAPLMEBMGTH-UHFFFAOYSA-N 0 1 347.209 3.348 10 10 EGCEMN Cc1cc(C(=O)N2CC(N(C)C)C2)c(C)n1-c1ccc(Cl)cc1 ZINC001137963992 1377654094 /nfs/dbraw/zinc/65/40/94/1377654094.db2.gz KAQCYCBRNYKRAC-UHFFFAOYSA-N 0 1 331.847 3.134 10 10 EGCEMN CCN(C)c1ccc(CN2CCCN(C(=O)OCC(C)C)CC2)cc1 ZINC001167284444 1383584443 /nfs/dbraw/zinc/58/44/43/1383584443.db2.gz ZBNABJUEYCQXPC-UHFFFAOYSA-N 0 1 347.503 3.443 10 10 EGCEMN CC(=O)c1cc(F)cc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1[O-] ZINC001176028403 1385465081 /nfs/dbraw/zinc/46/50/81/1385465081.db2.gz MPJYRVOCUVICHB-SNVBAGLBSA-N 0 1 332.331 3.493 10 10 EGCEMN CCc1ccc([C@H](O)CN2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000065255256 454544501 /nfs/dbraw/zinc/54/45/01/454544501.db2.gz VWBGUZQFFJYOGI-OAQYLSRUSA-N 0 1 340.467 3.113 10 10 EGCEMN O[C@@]1(C(F)(F)F)CCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000093611558 454723501 /nfs/dbraw/zinc/72/35/01/454723501.db2.gz WHXDDUYAVQRDJX-INIZCTEOSA-N 0 1 328.378 3.176 10 10 EGCEMN COc1c([O-])c(C[NH2+][C@@H]2COc3c2ccc(C)c3C)ccc1[N+](=O)[O-] ZINC000278924802 455853111 /nfs/dbraw/zinc/85/31/11/455853111.db2.gz VIOSDQJFGYTDDO-CQSZACIVSA-N 0 1 344.367 3.149 10 10 EGCEMN C[C@@H]1CN(Cc2ccc(N(C)C)c(F)c2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000366790428 457899706 /nfs/dbraw/zinc/89/97/06/457899706.db2.gz ARQYQECWQHVOEE-SPYBWZPUSA-N 0 1 336.451 3.050 10 10 EGCEMN CC[C@@H](C)NC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000435666925 458180849 /nfs/dbraw/zinc/18/08/49/458180849.db2.gz DMVXLHWODPDBCR-OAHLLOKOSA-N 0 1 327.472 3.323 10 10 EGCEMN [O-]c1ccc(Br)cc1C[NH2+]C[C@@H]1CCN1C1CCCC1 ZINC000527804821 459741764 /nfs/dbraw/zinc/74/17/64/459741764.db2.gz BTTPRHLZUSCDIQ-HNNXBMFYSA-N 0 1 339.277 3.261 10 10 EGCEMN CN(C)c1ccc(CN(C)[C@@H]2CCN(c3ccccc3F)C2=O)cc1 ZINC000152850656 1293987462 /nfs/dbraw/zinc/98/74/62/1293987462.db2.gz WXPYLQPFJUKFSQ-LJQANCHMSA-N 0 1 341.430 3.129 10 10 EGCEMN O=C(Nc1nc2ccc(C(F)(F)F)cc2[nH]1)c1cccc(O)c1O ZINC000193144670 1295838084 /nfs/dbraw/zinc/83/80/84/1295838084.db2.gz NEIRPDVLCDOJAF-UHFFFAOYSA-N 0 1 337.257 3.245 10 10 EGCEMN COc1ccccc1[C@@H]1CN(Cc2cc(F)cc(F)c2O)CCO1 ZINC000895460789 1309348542 /nfs/dbraw/zinc/34/85/42/1309348542.db2.gz USKYEZXHGHQZNB-KRWDZBQOSA-N 0 1 335.350 3.253 10 10 EGCEMN COC(=O)c1cc(C[NH2+]Cc2ccc3ccccc3c2[O-])n(C)c1C ZINC000895646192 1309447196 /nfs/dbraw/zinc/44/71/96/1309447196.db2.gz IOWCKSGAMFFCAS-UHFFFAOYSA-N 0 1 338.407 3.269 10 10 EGCEMN [O-]c1c(C[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)ccc2ccccc12 ZINC000895676862 1309460907 /nfs/dbraw/zinc/46/09/07/1309460907.db2.gz DTEXJOWHZHSQGC-GFCCVEGCSA-N 0 1 335.272 3.194 10 10 EGCEMN Cc1nnsc1[C@H](C)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000930210490 1328812799 /nfs/dbraw/zinc/81/27/99/1328812799.db2.gz MVZZODFANOKZIL-OLZOCXBDSA-N 0 1 332.473 3.095 10 10 EGCEMN Cc1cc(CNC(=O)[C@@H]2CCc3[nH]cnc3C2)c(C)n1-c1ccccc1 ZINC000863163938 1329531756 /nfs/dbraw/zinc/53/17/56/1329531756.db2.gz UNAVUEWIVBZGRS-MRXNPFEDSA-N 0 1 348.450 3.239 10 10 EGCEMN COc1ccc(N2CCN(C[C@@H]3CCC4(CCC4)CO3)CC2)cc1F ZINC001192108553 1367689557 /nfs/dbraw/zinc/68/95/57/1367689557.db2.gz XQEOHNSLITYAFG-KRWDZBQOSA-N 0 1 348.462 3.306 10 10 EGCEMN CC(=O)c1cc(F)cc(CN(CCO)[C@@H](C)c2ccccc2)c1O ZINC001192389815 1367770905 /nfs/dbraw/zinc/77/09/05/1367770905.db2.gz IYWNGZYZHADRRW-ZDUSSCGKSA-N 0 1 331.387 3.289 10 10 EGCEMN CO[C@@H](CC[NH2+]Cc1c([O-])cccc1Br)C(F)(F)F ZINC001118860448 1371242918 /nfs/dbraw/zinc/24/29/18/1371242918.db2.gz TTWYJXXKWYXLQD-NSHDSACASA-N 0 1 342.155 3.212 10 10 EGCEMN O=c1c(C[C@@H]2CCCO2)c(O)n2n1-c1ccccc1-c1ccccc1-2 ZINC000000000152 452491750 /nfs/dbraw/zinc/49/17/50/452491750.db2.gz MTRUDCIZADOOBK-ZDUSSCGKSA-N 0 1 334.375 3.147 10 10 in-man EGCEMN CCN(CC)c1ccc(C[N@H+]2CCC[C@H](n3cncn3)C2)cc1F ZINC000119500792 454199792 /nfs/dbraw/zinc/19/97/92/454199792.db2.gz KNRIMKRBTXRXGR-INIZCTEOSA-N 0 1 331.439 3.101 10 10 EGCEMN CCN(CC)c1ccc(CN2CCC[C@H](n3cncn3)C2)cc1F ZINC000119500792 454199795 /nfs/dbraw/zinc/19/97/95/454199795.db2.gz KNRIMKRBTXRXGR-INIZCTEOSA-N 0 1 331.439 3.101 10 10 EGCEMN Oc1ccc(Cl)c(F)c1CN1CCO[C@H](c2nccs2)C1 ZINC000191305512 455475789 /nfs/dbraw/zinc/47/57/89/455475789.db2.gz COJDSKAVUXHSRZ-LBPRGKRZSA-N 0 1 328.796 3.215 10 10 EGCEMN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000268145340 455601394 /nfs/dbraw/zinc/60/13/94/455601394.db2.gz KDESWFXJGWMTLU-QGZVFWFLSA-N 0 1 340.471 3.333 10 10 EGCEMN CCCN(Cc1cnnn1Cc1ccccc1)Cc1ccccc1O ZINC000292647720 455722072 /nfs/dbraw/zinc/72/20/72/455722072.db2.gz XKSFDAWIVZLSLI-UHFFFAOYSA-N 0 1 336.439 3.444 10 10 EGCEMN C[C@@]12CC[N@@H+](Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])C[C@@H]1C2(F)F ZINC000292681931 455730814 /nfs/dbraw/zinc/73/08/14/455730814.db2.gz ASOCVBMRLMSLSY-WCQYABFASA-N 0 1 332.734 3.431 10 10 EGCEMN CC1([C@@H]2CCC[N@@H+](Cc3cc(Cl)c(F)cc3[O-])C2)OCCO1 ZINC000293499442 455788935 /nfs/dbraw/zinc/78/89/35/455788935.db2.gz BJNJMAPERCBAHU-GFCCVEGCSA-N 0 1 329.799 3.160 10 10 EGCEMN CCCCN(Cc1ccccc1O)C(=O)[C@H]1CCCc2[nH]ncc21 ZINC000282444953 456516675 /nfs/dbraw/zinc/51/66/75/456516675.db2.gz IIGBPKUCKANKAK-HNNXBMFYSA-N 0 1 327.428 3.364 10 10 EGCEMN C[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)[C@@H]1O)c1cc(Cl)ccc1[O-] ZINC000283002579 456686896 /nfs/dbraw/zinc/68/68/96/456686896.db2.gz GJGXHVRKVXOYBD-OGHNNQOOSA-N 0 1 339.863 3.264 10 10 EGCEMN CCN(CC)C(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000435619119 458173746 /nfs/dbraw/zinc/17/37/46/458173746.db2.gz SPWSBQXELWBJAP-UHFFFAOYSA-N 0 1 327.472 3.276 10 10 EGCEMN [O-]c1c(Br)cc(Cl)cc1C[N@H+]1CC[C@@H]2OCC[C@H]2C1 ZINC000724842002 1298350903 /nfs/dbraw/zinc/35/09/03/1298350903.db2.gz JLGGGHNAZUWRJQ-ZANVPECISA-N 0 1 346.652 3.419 10 10 EGCEMN COC(=O)c1c(CNCc2ccnc(C)c2)c2cc(F)ccc2n1C ZINC000894874351 1309110908 /nfs/dbraw/zinc/11/09/08/1309110908.db2.gz PUEZYAHHCHUXRI-UHFFFAOYSA-N 0 1 341.386 3.097 10 10 EGCEMN CO[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000895577048 1309410159 /nfs/dbraw/zinc/41/01/59/1309410159.db2.gz GFEOKKIVQAYDRU-LBPRGKRZSA-N 0 1 327.705 3.338 10 10 EGCEMN COc1cccc2c1CC[C@@]2(CO)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000895635327 1309439641 /nfs/dbraw/zinc/43/96/41/1309439641.db2.gz RUTFTTAFKUAZQA-IBGZPJMESA-N 0 1 347.842 3.286 10 10 EGCEMN C[C@@H]1C[C@]2(CC[C@H](C[NH2+]Cc3ccc4ccccc4c3[O-])O2)CO1 ZINC000895818076 1309533213 /nfs/dbraw/zinc/53/32/13/1309533213.db2.gz BLJZGUVDDIXFOE-WIBUTAKZSA-N 0 1 327.424 3.362 10 10 EGCEMN [O-]c1cccc(Br)c1C[NH2+][C@@H]1C[C@H](O)c2ccccc21 ZINC000858189572 1328707498 /nfs/dbraw/zinc/70/74/98/1328707498.db2.gz OVQYAXYQSRAJDB-ZBFHGGJFSA-N 0 1 334.213 3.423 10 10 EGCEMN Oc1cccc(Br)c1CN[C@@H]1C[C@H](O)c2ccccc21 ZINC000858189572 1328707499 /nfs/dbraw/zinc/70/74/99/1328707499.db2.gz OVQYAXYQSRAJDB-ZBFHGGJFSA-N 0 1 334.213 3.423 10 10 EGCEMN C[C@H](O)[C@H]([NH2+]Cc1c([O-])cccc1Br)c1ccccc1 ZINC000858195737 1328709555 /nfs/dbraw/zinc/70/95/55/1328709555.db2.gz AQWMSZLEIHDSJM-ZBEGNZNMSA-N 0 1 336.229 3.366 10 10 EGCEMN C[C@H]([NH2+][C@@H]1CO[C@@H](C2CC2)C1)c1cc(Br)ccc1[O-] ZINC000858548941 1328793106 /nfs/dbraw/zinc/79/31/06/1328793106.db2.gz XOBIMQKRLPWXOU-ONENECBXSA-N 0 1 326.234 3.373 10 10 EGCEMN C[C@H](NCc1cc(CO)ccc1F)c1ccc(N2CCOCC2)cc1 ZINC000859230138 1328952282 /nfs/dbraw/zinc/95/22/82/1328952282.db2.gz RYNPTYUKKBNPKZ-HNNXBMFYSA-N 0 1 344.430 3.005 10 10 EGCEMN Cc1cc([O-])c(C[NH2+]C[C@H]2CCC3(CCOCC3)O2)c(Cl)c1 ZINC000922811093 1322624895 /nfs/dbraw/zinc/62/48/95/1322624895.db2.gz NRWDTWNHCMRXND-CYBMUJFWSA-N 0 1 325.836 3.172 10 10 EGCEMN COC[C@@]1(C)CN(Cc2ccc(N3CCCCC3)c(C)c2)CCO1 ZINC000860202086 1329172463 /nfs/dbraw/zinc/17/24/63/1329172463.db2.gz OHFZJLVHUWPZGI-HXUWFJFHSA-N 0 1 332.488 3.223 10 10 EGCEMN CN(C)c1ccc(CN(C)C(=O)c2c(Cl)[nH]nc2C2CC2)cc1 ZINC000864632948 1329632596 /nfs/dbraw/zinc/63/25/96/1329632596.db2.gz UUNUDKSABRYWGU-UHFFFAOYSA-N 0 1 332.835 3.279 10 10 EGCEMN CCOC(=O)CC(C)(C)CC(=O)C(=O)C[C@H](c1ccccc1)N(C)C ZINC001297562945 1383185363 /nfs/dbraw/zinc/18/53/63/1383185363.db2.gz UIKGSZVKFGJIAE-MRXNPFEDSA-N 0 1 347.455 3.187 10 10 EGCEMN CC1(C)C=Cc2c(O)c3c(cc2O1)oc1c(O)c(O)ccc1c3=O ZINC000005963547 210568944 /nfs/dbraw/zinc/56/89/44/210568944.db2.gz UCLUVPCGXYTYEK-UHFFFAOYSA-N 0 1 326.304 3.247 10 10 biogenic,in-vitro EGCEMN Cn1cc([C@H]2CCC[N@@H+]2Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])cn1 ZINC000131857549 454292125 /nfs/dbraw/zinc/29/21/25/454292125.db2.gz XNZIHXOFNOWQBN-CYBMUJFWSA-N 0 1 336.779 3.024 10 10 EGCEMN Cn1cc([C@H]2CCC[N@H+]2Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])cn1 ZINC000131857549 454292131 /nfs/dbraw/zinc/29/21/31/454292131.db2.gz XNZIHXOFNOWQBN-CYBMUJFWSA-N 0 1 336.779 3.024 10 10 EGCEMN C[C@@H]1CN(C2CC[NH+](Cc3c([O-])ccc4ccccc43)CC2)CCO1 ZINC000151996456 455059132 /nfs/dbraw/zinc/05/91/32/455059132.db2.gz TXGWMHGWAURPMY-MRXNPFEDSA-N 0 1 340.467 3.231 10 10 EGCEMN Oc1ccc(Cl)c(F)c1CN1CCO[C@@H](c2nccs2)C1 ZINC000191305528 455475918 /nfs/dbraw/zinc/47/59/18/455475918.db2.gz COJDSKAVUXHSRZ-GFCCVEGCSA-N 0 1 328.796 3.215 10 10 EGCEMN CN(C)c1ccc(CN(C(=O)[C@H]2CCCc3[nH]ncc32)C2CC2)cc1 ZINC000268160519 455606251 /nfs/dbraw/zinc/60/62/51/455606251.db2.gz PLIZITGFSKQURD-KRWDZBQOSA-N 0 1 338.455 3.087 10 10 EGCEMN CC(C)c1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])CC2 ZINC000185996487 455670769 /nfs/dbraw/zinc/67/07/69/455670769.db2.gz HJGJXBFUEMSCGN-WCQYABFASA-N 0 1 334.851 3.426 10 10 EGCEMN Cc1nc2n(n1)CCC[C@H]2N[C@H](C)c1cc2c(cc1O)CCCC2 ZINC000186096885 455693526 /nfs/dbraw/zinc/69/35/26/455693526.db2.gz WALQAHQNRZZTQD-SJKOYZFVSA-N 0 1 326.444 3.357 10 10 EGCEMN CC[C@H]([NH2+][C@H](C)c1cc(Br)ccc1[O-])[C@@H](O)C(F)F ZINC000296307012 455905578 /nfs/dbraw/zinc/90/55/78/455905578.db2.gz GEKCYGNMJPVNTL-INNHCVQGSA-N 0 1 338.192 3.210 10 10 EGCEMN C[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)[C@H]1O)c1cc(Cl)ccc1[O-] ZINC000283002576 456685909 /nfs/dbraw/zinc/68/59/09/456685909.db2.gz GJGXHVRKVXOYBD-AHIWAGSCSA-N 0 1 339.863 3.264 10 10 EGCEMN O=[N+]([O-])c1cc(Cl)cc(CNC2CC([NH+]3CCCCC3)C2)c1[O-] ZINC000366283479 457804464 /nfs/dbraw/zinc/80/44/64/457804464.db2.gz MYBKSJCIEDHWSE-UHFFFAOYSA-N 0 1 339.823 3.060 10 10 EGCEMN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]C2CC(N3CCCCC3)C2)c1[O-] ZINC000366283479 457804470 /nfs/dbraw/zinc/80/44/70/457804470.db2.gz MYBKSJCIEDHWSE-UHFFFAOYSA-N 0 1 339.823 3.060 10 10 EGCEMN CC(C)CNC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000435647796 458179845 /nfs/dbraw/zinc/17/98/45/458179845.db2.gz VVUAVLIZRARFAM-UHFFFAOYSA-N 0 1 327.472 3.180 10 10 EGCEMN CC[C@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@]2(CCOC2)O1 ZINC000376635784 458358183 /nfs/dbraw/zinc/35/81/83/458358183.db2.gz ZDBFWACDCJLXSA-BBRMVZONSA-N 0 1 346.254 3.469 10 10 EGCEMN CC[C@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@]2(CCOC2)O1 ZINC000376635784 458358188 /nfs/dbraw/zinc/35/81/88/458358188.db2.gz ZDBFWACDCJLXSA-BBRMVZONSA-N 0 1 346.254 3.469 10 10 EGCEMN COc1ccc(CN2CC[C@@H]2C[NH2+]Cc2cc(Cl)ccc2[O-])cc1 ZINC000527774048 459731942 /nfs/dbraw/zinc/73/19/42/459731942.db2.gz PEYVQPUWFNUQCU-QGZVFWFLSA-N 0 1 346.858 3.418 10 10 EGCEMN O=C([C@@H]1CCC[N@@H+](Cc2c([O-])ccc3ccccc32)C1)N1CCCC1 ZINC000732191172 575243430 /nfs/dbraw/zinc/24/34/30/575243430.db2.gz OKFZCTLKUYOSPT-QGZVFWFLSA-N 0 1 338.451 3.380 10 10 EGCEMN O=C([C@@H]1CCC[N@H+](Cc2c([O-])ccc3ccccc32)C1)N1CCCC1 ZINC000732191172 575243431 /nfs/dbraw/zinc/24/34/31/575243431.db2.gz OKFZCTLKUYOSPT-QGZVFWFLSA-N 0 1 338.451 3.380 10 10 EGCEMN CN(C)c1ccc(/C=C\c2nc(N)nc(-c3ccccc3O)n2)cc1 ZINC000033249010 1291384608 /nfs/dbraw/zinc/38/46/08/1291384608.db2.gz QGLBGWZQCXQSPF-XFXZXTDPSA-N 0 1 333.395 3.063 10 10 EGCEMN Cc1cc(CCNC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)c(C)n1-c1ccccc1 ZINC000873869440 1297710837 /nfs/dbraw/zinc/71/08/37/1297710837.db2.gz LMIYVUDVQXBCMN-RTBURBONSA-N 0 1 348.450 3.280 10 10 EGCEMN COc1cc(C)cc(CN[C@@H](c2nnc3ccccn32)C(C)C)c1O ZINC000894388639 1306372112 /nfs/dbraw/zinc/37/21/12/1306372112.db2.gz IUXYGLNTZWKYJR-QGZVFWFLSA-N 0 1 340.427 3.239 10 10 EGCEMN Oc1ccc(Cl)c(F)c1CN1CCn2cnc(C(F)(F)F)c2C1 ZINC000895560844 1309402641 /nfs/dbraw/zinc/40/26/41/1309402641.db2.gz ZHKMQQTUEHQYSM-UHFFFAOYSA-N 0 1 349.715 3.416 10 10 EGCEMN [O-]c1cc(Br)ccc1C[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000895845958 1309555039 /nfs/dbraw/zinc/55/50/39/1309555039.db2.gz SEAZPUUUXRCABD-DOMZBBRYSA-N 0 1 326.234 3.156 10 10 EGCEMN [O-]c1cc(Br)ccc1C[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000895845958 1309555048 /nfs/dbraw/zinc/55/50/48/1309555048.db2.gz SEAZPUUUXRCABD-DOMZBBRYSA-N 0 1 326.234 3.156 10 10 EGCEMN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1c[nH]cc2ncnc1-2 ZINC000899147376 1310955277 /nfs/dbraw/zinc/95/52/77/1310955277.db2.gz PITSPRKDSGLDSY-UHFFFAOYSA-N 0 1 337.427 3.075 10 10 EGCEMN C[C@@H]1C[C@@H](N[C@@H]2c3ccccc3CN(C)C2=O)c2c1c(F)ccc2O ZINC000857875044 1328612393 /nfs/dbraw/zinc/61/23/93/1328612393.db2.gz FPRFCVDCCGMUSL-PRIMNGNOSA-N 0 1 340.398 3.383 10 10 EGCEMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)c1[O-] ZINC000862473506 1329489296 /nfs/dbraw/zinc/48/92/96/1329489296.db2.gz SZAKVUWOEOJJDT-NEPJUHHUSA-N 0 1 328.821 3.424 10 10 EGCEMN COc1c([O-])c(C[NH+]2CC(Cc3cccs3)C2)ccc1[N+](=O)[O-] ZINC000862539952 1329494171 /nfs/dbraw/zinc/49/41/71/1329494171.db2.gz VIRRQZVKWYAPPR-UHFFFAOYSA-N 0 1 334.397 3.045 10 10 EGCEMN O=C(Nc1nnc(/C=C/c2ccco2)s1)c1c(F)ccc(O)c1O ZINC001161678335 1382477697 /nfs/dbraw/zinc/47/76/97/1382477697.db2.gz HLJQFGUCLAOGKR-ZZXKWVIFSA-N 0 1 347.327 3.104 10 10 EGCEMN Cc1cc(C(=O)N2CC(N3CCCC3)C2)c(C)n1-c1cccc(C)c1 ZINC001300584411 1383671603 /nfs/dbraw/zinc/67/16/03/1383671603.db2.gz IEZXIBQMGPFFTG-UHFFFAOYSA-N 0 1 337.467 3.323 10 10 EGCEMN CSCCc1c(O)n(-c2ccccc2)n(-c2ccccc2)c1=O ZINC000001679510 452674104 /nfs/dbraw/zinc/67/41/04/452674104.db2.gz KRIKNPNYONBUKG-UHFFFAOYSA-N 0 1 326.421 3.351 10 10 EGCEMN [O-]c1ccc(Cl)cc1C[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000120905228 454363129 /nfs/dbraw/zinc/36/31/29/454363129.db2.gz LNWIKJRWHQZUEC-UHFFFAOYSA-N 0 1 342.830 3.468 10 10 EGCEMN O=C1C[C@@H]([C@H]2CCCC[N@@H+]2Cc2cc(Cl)cc(Cl)c2[O-])CN1 ZINC000092105320 454524935 /nfs/dbraw/zinc/52/49/35/454524935.db2.gz SQQRMJHFTZDEAO-QMTHXVAHSA-N 0 1 343.254 3.190 10 10 EGCEMN Cc1ncc(CN2CCN(Cc3cc(C)c(C)cc3O)CC2)s1 ZINC000111164921 454857977 /nfs/dbraw/zinc/85/79/77/454857977.db2.gz RWFZQLWLAAYVDP-UHFFFAOYSA-N 0 1 331.485 3.092 10 10 EGCEMN CO[C@@H]1CC[C@@H]2OCCN(Cc3cc(Cl)cc(C)c3O)[C@@H]2C1 ZINC000245637665 455345929 /nfs/dbraw/zinc/34/59/29/455345929.db2.gz CKPAVFGZXUQWRO-OAGGEKHMSA-N 0 1 325.836 3.122 10 10 EGCEMN C[C@@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1cc(Cl)ccc1[O-] ZINC000185552250 455577181 /nfs/dbraw/zinc/57/71/81/455577181.db2.gz GOPLSVKMTVYZTK-TZMCWYRMSA-N 0 1 334.851 3.099 10 10 EGCEMN CC(C)c1nnc2n1C[C@H]([NH2+][C@H](C)c1cc(Cl)ccc1[O-])CC2 ZINC000186293183 455736041 /nfs/dbraw/zinc/73/60/41/455736041.db2.gz DOEOXSWPCYNDFD-DGCLKSJQSA-N 0 1 334.851 3.426 10 10 EGCEMN COc1ccc(F)c(CN(C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000294861784 455829772 /nfs/dbraw/zinc/82/97/72/455829772.db2.gz JLRNZWCREFGFNY-UHFFFAOYSA-N 0 1 344.430 3.303 10 10 EGCEMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2C[C@@H](C)[C@@H]2C)C1 ZINC000357528057 457579941 /nfs/dbraw/zinc/57/99/41/457579941.db2.gz AEZLDNWVHRJLRS-CVEARBPZSA-N 0 1 339.483 3.275 10 10 EGCEMN CC1CCN(c2ccc(CNC(=O)[C@@H]3C[C@H]3c3cnc[nH]3)cc2)CC1 ZINC000874445638 1297892952 /nfs/dbraw/zinc/89/29/52/1297892952.db2.gz DRYSZEYMIZORNN-QZTJIDSGSA-N 0 1 338.455 3.066 10 10 EGCEMN Nc1cccc2c1CC[N@H+](Cc1c([O-])cccc1Br)C2 ZINC000706834276 1298224525 /nfs/dbraw/zinc/22/45/25/1298224525.db2.gz RIKLOYBKKMLUOL-UHFFFAOYSA-N 0 1 333.229 3.295 10 10 EGCEMN Nc1cccc2c1CC[N@@H+](Cc1c([O-])cccc1Br)C2 ZINC000706834276 1298224537 /nfs/dbraw/zinc/22/45/37/1298224537.db2.gz RIKLOYBKKMLUOL-UHFFFAOYSA-N 0 1 333.229 3.295 10 10 EGCEMN Nc1cccc2c1CCN(Cc1c(O)cccc1Br)C2 ZINC000706834276 1298224546 /nfs/dbraw/zinc/22/45/46/1298224546.db2.gz RIKLOYBKKMLUOL-UHFFFAOYSA-N 0 1 333.229 3.295 10 10 EGCEMN Cc1cc([O-])c(C[NH2+]C[C@@H]2CC[C@]3(CO[C@H](C)C3)O2)c(Cl)c1 ZINC000886330326 1303436622 /nfs/dbraw/zinc/43/66/22/1303436622.db2.gz QQCVWNLHSAIGKH-IGCXYCKISA-N 0 1 325.836 3.170 10 10 EGCEMN [O-]c1cc(Br)ccc1C[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC000895678642 1309462117 /nfs/dbraw/zinc/46/21/17/1309462117.db2.gz BGUCDGGTDFLWRH-CABCVRRESA-N 0 1 326.234 3.346 10 10 EGCEMN COC(=O)[C@@H]1CC[N@@H+](Cc2c3c(ccc2O)oc2c3CCCC2)C1 ZINC000917480651 1319818757 /nfs/dbraw/zinc/81/87/57/1319818757.db2.gz QWXNBWHREVIFBE-GFCCVEGCSA-N 0 1 329.396 3.012 10 10 EGCEMN COC(=O)[C@@H]1CC[N@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)C1 ZINC000917480651 1319818769 /nfs/dbraw/zinc/81/87/69/1319818769.db2.gz QWXNBWHREVIFBE-GFCCVEGCSA-N 0 1 329.396 3.012 10 10 EGCEMN COC(=O)[C@@H]1CC[N@@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)C1 ZINC000917480651 1319818774 /nfs/dbraw/zinc/81/87/74/1319818774.db2.gz QWXNBWHREVIFBE-GFCCVEGCSA-N 0 1 329.396 3.012 10 10 EGCEMN O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@@H]1CO[C@H](C2CC2)C1 ZINC000858909177 1328888722 /nfs/dbraw/zinc/88/87/22/1328888722.db2.gz MPVJUBHWSXHSHT-AAEUAGOBSA-N 0 1 345.226 3.066 10 10 EGCEMN FC(F)(F)[C@H](CNCc1ccc2c(c1)CCCO2)n1cccn1 ZINC000922283356 1322492200 /nfs/dbraw/zinc/49/22/00/1322492200.db2.gz XXMCSXMLKUPHTE-HNNXBMFYSA-N 0 1 325.334 3.101 10 10 EGCEMN Cc1cc(C2(NCc3ccc4c(c3)CCCO4)CCOCC2)on1 ZINC000922298964 1322495318 /nfs/dbraw/zinc/49/53/18/1322495318.db2.gz YVUNMGNKYMLDTI-UHFFFAOYSA-N 0 1 328.412 3.104 10 10 EGCEMN COC1CCN(c2ccc(CN3Cc4c[nH]nc4[C@H](C)C3)cc2)CC1 ZINC000931462019 1329123836 /nfs/dbraw/zinc/12/38/36/1329123836.db2.gz IVFRPNKNOQLLAE-OAHLLOKOSA-N 0 1 340.471 3.144 10 10 EGCEMN C[C@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)c1ccns1 ZINC000926559230 1327616095 /nfs/dbraw/zinc/61/60/95/1327616095.db2.gz LEJCDOPAYSPZCC-NSHDSACASA-N 0 1 339.411 3.109 10 10 EGCEMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H](c3ccn(C)n3)C2)c1[O-] ZINC000932135734 1329787701 /nfs/dbraw/zinc/78/77/01/1329787701.db2.gz NEFRZZMNOYDHQN-ZDUSSCGKSA-N 0 1 347.846 3.361 10 10 EGCEMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H](c3ccn(C)n3)C2)c1[O-] ZINC000932135734 1329787702 /nfs/dbraw/zinc/78/77/02/1329787702.db2.gz NEFRZZMNOYDHQN-ZDUSSCGKSA-N 0 1 347.846 3.361 10 10 EGCEMN CCOC(=O)c1cc(CN[C@@H](C)c2cc3c(cc2O)CCCC3)on1 ZINC000866514789 1330120784 /nfs/dbraw/zinc/12/07/84/1330120784.db2.gz RQRHBHNTTJNALA-LBPRGKRZSA-N 0 1 344.411 3.287 10 10 EGCEMN C[C@@H]([NH2+]C[C@@H]1CC2(CO1)CCOCC2)c1cc(Cl)ccc1[O-] ZINC000866530681 1330122274 /nfs/dbraw/zinc/12/22/74/1330122274.db2.gz BHEKDSPEJZHDBO-OCCSQVGLSA-N 0 1 325.836 3.282 10 10 EGCEMN O=C(Nc1nnc(/C=C\c2ccco2)s1)c1c(F)ccc(O)c1O ZINC001161678329 1382477834 /nfs/dbraw/zinc/47/78/34/1382477834.db2.gz HLJQFGUCLAOGKR-UTCJRWHESA-N 0 1 347.327 3.104 10 10 EGCEMN COc1ccc(F)cc1CNCc1cc(Cl)cc(OC)c1O ZINC000189695187 455231827 /nfs/dbraw/zinc/23/18/27/455231827.db2.gz YHRWYTHVGFIDKK-UHFFFAOYSA-N 0 1 325.767 3.492 10 10 EGCEMN CCOc1cccc(CN(C)Cc2cn(C)nc2C(F)(F)F)c1O ZINC000092068963 454512958 /nfs/dbraw/zinc/51/29/58/454512958.db2.gz OFMSHSKCNNJJFG-UHFFFAOYSA-N 0 1 343.349 3.175 10 10 EGCEMN COc1cc(OC)c(CN[C@H](C)c2cc(F)ccc2O)c(OC)c1 ZINC000185066368 455495356 /nfs/dbraw/zinc/49/53/56/455495356.db2.gz ASZBFCWXVLTKKL-LLVKDONJSA-N 0 1 335.375 3.408 10 10 EGCEMN C[C@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)c1cc(Cl)ccc1[O-] ZINC000186050619 455683919 /nfs/dbraw/zinc/68/39/19/455683919.db2.gz DEKFMEIZWHCRRI-GXTWGEPZSA-N 0 1 332.835 3.155 10 10 EGCEMN C[C@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)c1cc(Cl)ccc1[O-] ZINC000186050655 455684109 /nfs/dbraw/zinc/68/41/09/455684109.db2.gz DEKFMEIZWHCRRI-JSGCOSHPSA-N 0 1 332.835 3.155 10 10 EGCEMN CC(=O)c1cc(F)cc(C[NH2+][C@H]2CCN(C)[C@H]2c2ccccc2)c1[O-] ZINC000375063146 457776209 /nfs/dbraw/zinc/77/62/09/457776209.db2.gz CKRGRMASQOLXCD-OALUTQOASA-N 0 1 342.414 3.269 10 10 EGCEMN CCC1CN(C(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)C1 ZINC000457280861 458912045 /nfs/dbraw/zinc/91/20/45/458912045.db2.gz RNYJVKGDTJMWOE-UHFFFAOYSA-N 0 1 339.483 3.276 10 10 EGCEMN CCOc1cc(CNCc2cc(OC)ccc2O)c(F)cc1OC ZINC000527661927 459689813 /nfs/dbraw/zinc/68/98/13/459689813.db2.gz YKAPIVBBKRSUHF-UHFFFAOYSA-N 0 1 335.375 3.237 10 10 EGCEMN CCO[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000715737414 1298287252 /nfs/dbraw/zinc/28/72/52/1298287252.db2.gz IZOIPSGKAFZZLB-GFCCVEGCSA-N 0 1 332.213 3.295 10 10 EGCEMN CC(=O)N1CCCN(Cc2ccc(F)c(F)c2O)c2ccccc21 ZINC000877534501 1299376551 /nfs/dbraw/zinc/37/65/51/1299376551.db2.gz BJQXTZKEWHOUMC-UHFFFAOYSA-N 0 1 332.350 3.434 10 10 EGCEMN C[N@@H+](Cc1cc(F)cc(F)c1[O-])C1CCN(CC(F)(F)F)CC1 ZINC000894944630 1309131593 /nfs/dbraw/zinc/13/15/93/1309131593.db2.gz FGUCZBUFNLYFJM-UHFFFAOYSA-N 0 1 338.320 3.129 10 10 EGCEMN C[N@H+](Cc1cc(F)cc(F)c1[O-])C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000895477430 1309359319 /nfs/dbraw/zinc/35/93/19/1309359319.db2.gz UQJJNJYAQVHHHM-HNNXBMFYSA-N 0 1 348.349 3.128 10 10 EGCEMN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC000895721811 1309489692 /nfs/dbraw/zinc/48/96/92/1309489692.db2.gz KFMREKANKIGFGH-CYBMUJFWSA-N 0 1 346.254 3.062 10 10 EGCEMN COc1cc(Br)cc(CN2C[C@H](OC)CC[C@H]2C)c1O ZINC000895945278 1309604600 /nfs/dbraw/zinc/60/46/00/1309604600.db2.gz IPLOWWUFALJCPK-ZWNOBZJWSA-N 0 1 344.249 3.163 10 10 EGCEMN C[C@H]([NH2+][C@@H]1CO[C@H](C2CC2)C1)c1cc(Br)ccc1[O-] ZINC000858548940 1328793000 /nfs/dbraw/zinc/79/30/00/1328793000.db2.gz XOBIMQKRLPWXOU-FMSQNYNMSA-N 0 1 326.234 3.373 10 10 EGCEMN C[C@H]([NH2+][C@@H]1CO[C@@H](C2CC2)C1)c1ccc(Br)cc1[O-] ZINC000858548634 1328793246 /nfs/dbraw/zinc/79/32/46/1328793246.db2.gz WITPVPAPXZXRCC-ONENECBXSA-N 0 1 326.234 3.373 10 10 EGCEMN Cc1cc(CC[NH2+][C@@H](C)c2cc(Br)ccc2[O-])nn1C ZINC000926909561 1327770254 /nfs/dbraw/zinc/77/02/54/1327770254.db2.gz GWIMMSRNLGILGV-NSHDSACASA-N 0 1 338.249 3.090 10 10 EGCEMN COc1ccc(N2CCCN(Cc3ccnc(F)c3C)CC2)cc1 ZINC000862231142 1329468554 /nfs/dbraw/zinc/46/85/54/1329468554.db2.gz DAZQKWADARUXRK-UHFFFAOYSA-N 0 1 329.419 3.250 10 10 EGCEMN CCOC(=O)c1cccc(CNCc2ccc(N(CC)CC)cc2)n1 ZINC000862271783 1329473123 /nfs/dbraw/zinc/47/31/23/1329473123.db2.gz BQNBAWYZEZNRGJ-UHFFFAOYSA-N 0 1 341.455 3.394 10 10 EGCEMN C[C@H]([NH2+][C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23)c1cc(Br)ccc1[O-] ZINC000866446741 1330113533 /nfs/dbraw/zinc/11/35/33/1330113533.db2.gz WYCNGEYIHYGMPE-RFEWNFQQSA-N 0 1 338.245 3.229 10 10 EGCEMN O=C(Nc1nc(-c2ccc3ccccc3n2)n[nH]1)C1=CC(=O)CS1 ZINC001141313632 1378298953 /nfs/dbraw/zinc/29/89/53/1378298953.db2.gz HCVHJBKWWPIFLV-UHFFFAOYSA-N 0 1 337.364 3.039 10 10 EGCEMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1cnn(C(F)F)c1 ZINC001298841310 1383437130 /nfs/dbraw/zinc/43/71/30/1383437130.db2.gz OEHDXBFOGWJFRX-UHFFFAOYSA-N 0 1 336.125 3.221 10 10 EGCEMN Cc1cc(F)ccc1[C@@H](C)NCC(=O)NCc1ccc(N(C)C)cc1 ZINC001175991282 1385454646 /nfs/dbraw/zinc/45/46/46/1385454646.db2.gz DIZHLTWOVFYSMY-OAHLLOKOSA-N 0 1 343.446 3.167 10 10 EGCEMN Cc1oc(C[N@H+](C)C/C=C\c2ccc(N(C)C)cc2)cc1C(=O)[O-] ZINC001339118327 1389908924 /nfs/dbraw/zinc/90/89/24/1389908924.db2.gz PBMGJQPBGOOQSV-WAYWQWQTSA-N 0 1 328.412 3.497 10 10 EGCEMN CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2[O-])[C@@H]1SC ZINC001350627041 1391493748 /nfs/dbraw/zinc/49/37/48/1391493748.db2.gz SVGCYNRYZXGHNV-BNOWGMLFSA-N 0 1 346.290 3.153 10 10 EGCEMN CC/C=C\CCN1CC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001699642281 1413022101 /nfs/dbraw/zinc/02/21/01/1413022101.db2.gz MXCFVAYQNWKCMY-BTVVXOBGSA-N 0 1 343.431 3.009 10 10 EGCEMN O=[N+]([O-])c1cc(Cl)cc(C[NH+]2CCC(c3ccn[nH]3)CC2)c1[O-] ZINC000092810770 454638222 /nfs/dbraw/zinc/63/82/22/454638222.db2.gz JXAJWSNUTCOQTO-UHFFFAOYSA-N 0 1 336.779 3.057 10 10 EGCEMN Cc1nc(C)n(C[C@@H]2CCC[N@@H+](Cc3cccc(Cl)c3[O-])C2)n1 ZINC000180121293 455135542 /nfs/dbraw/zinc/13/55/42/455135542.db2.gz PMMLBVCEZJFNCL-CQSZACIVSA-N 0 1 334.851 3.166 10 10 EGCEMN C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C)c1cc(Cl)ccc1[O-] ZINC000185407490 455555755 /nfs/dbraw/zinc/55/57/55/455555755.db2.gz QASFRFHUNGDPRK-GUYCJALGSA-N 0 1 346.858 3.396 10 10 EGCEMN C[C@H]([NH2+][C@H]1Cc2ccccc2[C@@H]1O)c1ccc(Br)cc1[O-] ZINC000185466558 455562024 /nfs/dbraw/zinc/56/20/24/455562024.db2.gz KWWQKQYLPKUSGX-QXKQMHMISA-N 0 1 348.240 3.464 10 10 EGCEMN Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3cc(Cl)ccc3[O-])C2)n(C)n1 ZINC000278480685 455837625 /nfs/dbraw/zinc/83/76/25/455837625.db2.gz OSPWJZXILRKXMK-UKRRQHHQSA-N 0 1 348.878 3.407 10 10 EGCEMN Cc1cc(Cl)cc(CN2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)c1O ZINC000280596130 456008959 /nfs/dbraw/zinc/00/89/59/456008959.db2.gz XVMAOULKMBTOJM-GDZNZVCISA-N 0 1 325.836 3.122 10 10 EGCEMN C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])C[C@]2(CCO[C@H](C)C2)O1 ZINC000366813511 457901499 /nfs/dbraw/zinc/90/14/99/457901499.db2.gz WNEZAPXYQQVQQA-PBFPGSCMSA-N 0 1 325.836 3.204 10 10 EGCEMN Cc1noc(C)c1CO[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000377671226 458508554 /nfs/dbraw/zinc/50/85/54/458508554.db2.gz GIUHCPUWWJFVNO-CQSZACIVSA-N 0 1 336.819 3.442 10 10 EGCEMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)Nc2cccnc2)C1 ZINC000572591957 459581703 /nfs/dbraw/zinc/58/17/03/459581703.db2.gz KGRSVYOAWWEODD-UHFFFAOYSA-N 0 1 348.450 3.442 10 10 EGCEMN O=C([C@H]1CCC[N@@H+](Cc2c([O-])ccc3ccccc32)C1)N1CCCC1 ZINC000732191171 575243454 /nfs/dbraw/zinc/24/34/54/575243454.db2.gz OKFZCTLKUYOSPT-KRWDZBQOSA-N 0 1 338.451 3.380 10 10 EGCEMN O=C([C@H]1CCC[N@H+](Cc2c([O-])ccc3ccccc32)C1)N1CCCC1 ZINC000732191171 575243455 /nfs/dbraw/zinc/24/34/55/575243455.db2.gz OKFZCTLKUYOSPT-KRWDZBQOSA-N 0 1 338.451 3.380 10 10 EGCEMN Cc1cc(NS(=O)(=O)c2cnc(Cl)c(Cl)c2)ccc1O ZINC000148426818 1293884178 /nfs/dbraw/zinc/88/41/78/1293884178.db2.gz KFANEKONFLFFNI-UHFFFAOYSA-N 0 1 333.196 3.203 10 10 EGCEMN [O-]c1c(Br)cc(Cl)cc1C[N@H+]1CC[C@H]2OCC[C@H]2C1 ZINC000724842000 1298350338 /nfs/dbraw/zinc/35/03/38/1298350338.db2.gz JLGGGHNAZUWRJQ-TVQRCGJNSA-N 0 1 346.652 3.419 10 10 EGCEMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H](n3ccnn3)CC2)c1O ZINC000878942157 1300276777 /nfs/dbraw/zinc/27/67/77/1300276777.db2.gz YJMWHTZMDDKRLO-OAHLLOKOSA-N 0 1 348.834 3.067 10 10 EGCEMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H](n3ccnn3)CC2)c1[O-] ZINC000878942157 1300276783 /nfs/dbraw/zinc/27/67/83/1300276783.db2.gz YJMWHTZMDDKRLO-OAHLLOKOSA-N 0 1 348.834 3.067 10 10 EGCEMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H](n3ccnn3)CC2)c1[O-] ZINC000878942157 1300276787 /nfs/dbraw/zinc/27/67/87/1300276787.db2.gz YJMWHTZMDDKRLO-OAHLLOKOSA-N 0 1 348.834 3.067 10 10 EGCEMN COc1ccc(C[NH2+]Cc2cc(Cl)ccc2[O-])c(F)c1OC ZINC000895137064 1309205511 /nfs/dbraw/zinc/20/55/11/1309205511.db2.gz QTYFYPBQPPXPAJ-UHFFFAOYSA-N 0 1 325.767 3.492 10 10 EGCEMN CN(C)c1ccc(/C=C\CNCc2cnc(Br)cn2)cc1 ZINC000895407275 1309321929 /nfs/dbraw/zinc/32/19/29/1309321929.db2.gz PXSDJBGWNHYIHF-ARJAWSKDSA-N 0 1 347.260 3.108 10 10 EGCEMN Cc1cc(CC(=O)N2CCC[C@H]2c2nnc[nH]2)c(C)n1-c1ccccc1 ZINC000899108824 1310937686 /nfs/dbraw/zinc/93/76/86/1310937686.db2.gz PDVXHOKXIKODHP-SFHVURJKSA-N 0 1 349.438 3.118 10 10 EGCEMN C[C@H]1CCCC[N@H+]1CCNCc1c(O)cccc1Br ZINC000858099068 1328681854 /nfs/dbraw/zinc/68/18/54/1328681854.db2.gz UZHSDEYPBDVYML-LBPRGKRZSA-N 0 1 327.266 3.119 10 10 EGCEMN COCC[N@@H+](Cc1c([O-])c(C(=O)OC)cc2ccccc21)CC(C)C ZINC000914783790 1319376776 /nfs/dbraw/zinc/37/67/76/1319376776.db2.gz NXNXJUDFRGJHSD-UHFFFAOYSA-N 0 1 345.439 3.436 10 10 EGCEMN COCC[N@H+](Cc1c([O-])c(C(=O)OC)cc2ccccc21)CC(C)C ZINC000914783790 1319376786 /nfs/dbraw/zinc/37/67/86/1319376786.db2.gz NXNXJUDFRGJHSD-UHFFFAOYSA-N 0 1 345.439 3.436 10 10 EGCEMN Cc1cc([O-])c(C[NH2+]C[C@H]2c3ccccc3C(=O)N2C)cc1Cl ZINC000862518050 1329491821 /nfs/dbraw/zinc/49/18/21/1329491821.db2.gz WWZBREDYDKKLQQ-INIZCTEOSA-N 0 1 330.815 3.271 10 10 EGCEMN COc1ccc2c(c1)C(=O)N(C1CC1)[C@H](c1ccc(F)c(F)c1O)N2 ZINC000864385636 1329611509 /nfs/dbraw/zinc/61/15/09/1329611509.db2.gz QLGKXEDNWLGAPX-QGZVFWFLSA-N 0 1 346.333 3.408 10 10 EGCEMN Fc1ccc2c(c1)onc2CNCc1ccc(N2CCOCC2)cc1 ZINC000865836071 1329743873 /nfs/dbraw/zinc/74/38/73/1329743873.db2.gz PIYKCXJUSIUQLM-UHFFFAOYSA-N 0 1 341.386 3.093 10 10 EGCEMN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](Cc3nccs3)C2)c1[O-] ZINC000934332148 1329967507 /nfs/dbraw/zinc/96/75/07/1329967507.db2.gz IEFIDNVAXAOTIF-LBPRGKRZSA-N 0 1 334.416 3.255 10 10 EGCEMN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](Cc3nccs3)C2)c1[O-] ZINC000934332148 1329967508 /nfs/dbraw/zinc/96/75/08/1329967508.db2.gz IEFIDNVAXAOTIF-LBPRGKRZSA-N 0 1 334.416 3.255 10 10 EGCEMN CCN(C)c1ccc([C@@H](C)NCc2n[nH]c(C3CCOCC3)n2)cc1 ZINC000866440722 1330113058 /nfs/dbraw/zinc/11/30/58/1330113058.db2.gz HGPOSPWQPFCVNU-CQSZACIVSA-N 0 1 343.475 3.006 10 10 EGCEMN CC[C@@H]1C(=O)NCCCN1Cc1ccc(N2CCCCC2)c(C)c1 ZINC001198051310 1368950711 /nfs/dbraw/zinc/95/07/11/1368950711.db2.gz QRMGZUHQHQRBPG-GOSISDBHSA-N 0 1 329.488 3.086 10 10 EGCEMN C[C@H](Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)c1nnc[nH]1 ZINC001162967776 1382930678 /nfs/dbraw/zinc/93/06/78/1382930678.db2.gz OXOZDODTFDUEJU-NSHDSACASA-N 0 1 337.339 3.117 10 10 EGCEMN COc1ccc(N2CCN(Cc3c(C)cc(C)nc3C)CC2)cc1F ZINC001168067682 1383809147 /nfs/dbraw/zinc/80/91/47/1383809147.db2.gz JZKLXPNJKRHEEM-UHFFFAOYSA-N 0 1 343.446 3.477 10 10 EGCEMN CC(C)NC(=O)Nc1ccc(NC(=O)c2c(F)ccc(O)c2O)cc1 ZINC001182218959 1387122810 /nfs/dbraw/zinc/12/28/10/1387122810.db2.gz QXAIAGCSSAVGSK-UHFFFAOYSA-N 0 1 347.346 3.019 10 10 EGCEMN Cc1ccsc1[C@@H](CO)[NH2+]Cc1c([O-])cccc1Br ZINC001334890144 1390613638 /nfs/dbraw/zinc/61/36/38/1390613638.db2.gz GTGVLYRQAWAMCQ-GFCCVEGCSA-N 0 1 342.258 3.348 10 10 EGCEMN C[C@@H](NCc1cccc2c1OCO2)c1ccc(N2CCOCC2)cc1 ZINC000071831073 203123171 /nfs/dbraw/zinc/12/31/71/203123171.db2.gz DJYXVPWTQNELJF-OAHLLOKOSA-N 0 1 340.423 3.103 10 10 EGCEMN CO[C@@H]1CC[C@@H]2OCCN(Cc3ccc(N4CCCCC4)cc3)[C@H]2C1 ZINC000246095001 455425476 /nfs/dbraw/zinc/42/54/76/455425476.db2.gz IWQVUTBOPSFYLT-HKBOAZHASA-N 0 1 344.499 3.445 10 10 EGCEMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000247282051 455582912 /nfs/dbraw/zinc/58/29/12/455582912.db2.gz YQHRCTSMHBSJDX-CHWSQXEVSA-N 0 1 334.268 3.405 10 10 EGCEMN C[C@H]([NH2+][C@H]1c2ccccc2C[C@H]1O)c1ccc(Br)cc1[O-] ZINC000248488022 455716920 /nfs/dbraw/zinc/71/69/20/455716920.db2.gz GNPIYFBNBZGGPY-HKJPBSJPSA-N 0 1 348.240 3.464 10 10 EGCEMN CC(C)c1nnc2n1C[C@@H]([NH2+][C@H](C)c1cc(Cl)ccc1[O-])CC2 ZINC000186293202 455735985 /nfs/dbraw/zinc/73/59/85/455735985.db2.gz DOEOXSWPCYNDFD-YPMHNXCESA-N 0 1 334.851 3.426 10 10 EGCEMN Cc1cc(Cl)cc(CN[C@@H](c2nnc[nH]2)c2ccccc2)c1O ZINC000372921880 458349347 /nfs/dbraw/zinc/34/93/47/458349347.db2.gz LAXCUNJJGPFTNS-OAHLLOKOSA-N 0 1 328.803 3.351 10 10 EGCEMN CC[N@@H+](Cc1c([O-])c(C(=O)OC)cc2ccccc21)C[C@@H]1CCOC1 ZINC000738082236 576286142 /nfs/dbraw/zinc/28/61/42/576286142.db2.gz PLUFMNAARGUDNJ-AWEZNQCLSA-N 0 1 343.423 3.190 10 10 EGCEMN CC[N@H+](Cc1c([O-])c(C(=O)OC)cc2ccccc21)C[C@@H]1CCOC1 ZINC000738082236 576286143 /nfs/dbraw/zinc/28/61/43/576286143.db2.gz PLUFMNAARGUDNJ-AWEZNQCLSA-N 0 1 343.423 3.190 10 10 EGCEMN C[C@H]([NH2+]CCC[C@@H]1CCOC1=O)c1ccc(Br)cc1[O-] ZINC000872114577 1296740303 /nfs/dbraw/zinc/74/03/03/1296740303.db2.gz WSFVCMUWZQKQAW-WDEREUQCSA-N 0 1 342.233 3.149 10 10 EGCEMN C[N@@H+](Cc1cc(Cl)cc(Br)c1[O-])C1CCOCC1 ZINC000708141145 1298238359 /nfs/dbraw/zinc/23/83/59/1298238359.db2.gz QHLHTWOCHDCFBX-UHFFFAOYSA-N 0 1 334.641 3.419 10 10 EGCEMN COc1ccc([C@H]2CN(Cc3cc(F)cc(F)c3O)CCO2)cc1 ZINC000895460802 1309348397 /nfs/dbraw/zinc/34/83/97/1309348397.db2.gz VBUUERYLJZVUFK-QGZVFWFLSA-N 0 1 335.350 3.253 10 10 EGCEMN [O-]c1cc(Br)ccc1C[NH2+][C@@]1(c2ccccc2)C[C@@H](O)C1 ZINC000895511857 1309380998 /nfs/dbraw/zinc/38/09/98/1309380998.db2.gz DMGAMGRQPLOOJN-WOVMCDHWSA-N 0 1 348.240 3.295 10 10 EGCEMN C[C@@H]1C[C@@]2(CC[C@@H](C[NH2+]Cc3ccc4ccccc4c3[O-])O2)CO1 ZINC000895818073 1309533303 /nfs/dbraw/zinc/53/33/03/1309533303.db2.gz BLJZGUVDDIXFOE-LIVBEALHSA-N 0 1 327.424 3.362 10 10 EGCEMN [O-]c1ccc(Br)cc1C[NH2+]CC1(C2(O)CCC2)CCC1 ZINC000895870692 1309573123 /nfs/dbraw/zinc/57/31/23/1309573123.db2.gz SJINQBIDFUHSPP-UHFFFAOYSA-N 0 1 340.261 3.330 10 10 EGCEMN [O-]c1cccc(Br)c1C[NH2+]CC1(CF)CCOCC1 ZINC000858172522 1328702515 /nfs/dbraw/zinc/70/25/15/1328702515.db2.gz AJBKSBLEPGOCIM-UHFFFAOYSA-N 0 1 332.213 3.011 10 10 EGCEMN Oc1ccc(Cl)cc1CN1CCC[C@H](Nc2nccnc2F)C1 ZINC000858405859 1328754039 /nfs/dbraw/zinc/75/40/39/1328754039.db2.gz STJDALFEFYSWQY-ZDUSSCGKSA-N 0 1 336.798 3.051 10 10 EGCEMN CC[C@H]([NH2+][C@@H]1CCO[C@@H]1c1nc(C)no1)c1cc(Cl)ccc1[O-] ZINC000858591852 1328803898 /nfs/dbraw/zinc/80/38/98/1328803898.db2.gz LUTNQSBMMPUVJY-GUTXKFCHSA-N 0 1 337.807 3.308 10 10 EGCEMN COC(=O)c1ccc(CNCc2cc(F)c(N(C)C)cc2F)cc1 ZINC000862367181 1329478364 /nfs/dbraw/zinc/47/83/64/1329478364.db2.gz YNZBRSVRJIHBJH-UHFFFAOYSA-N 0 1 334.366 3.107 10 10 EGCEMN COc1ccc2c(c1)C(=O)N(C1CC1)[C@@H](c1ccc(F)c(F)c1O)N2 ZINC000864385633 1329611459 /nfs/dbraw/zinc/61/14/59/1329611459.db2.gz QLGKXEDNWLGAPX-KRWDZBQOSA-N 0 1 346.333 3.408 10 10 EGCEMN [O-]c1cccc(Br)c1C[NH2+]C[C@H]1CCC12CCOCC2 ZINC000865777283 1329737420 /nfs/dbraw/zinc/73/74/20/1329737420.db2.gz WEIJXONLCJNIBQ-GFCCVEGCSA-N 0 1 340.261 3.451 10 10 EGCEMN CCOC(=O)c1cc(CN[C@H](CC)c2cc(Cl)ccc2O)on1 ZINC000866515303 1330120632 /nfs/dbraw/zinc/12/06/32/1330120632.db2.gz GNXDCZAVFWXQHV-CYBMUJFWSA-N 0 1 338.791 3.451 10 10 EGCEMN CCOC(=O)c1cc(C[NH2+][C@H](CC)c2cc(Cl)ccc2[O-])on1 ZINC000866515303 1330120634 /nfs/dbraw/zinc/12/06/34/1330120634.db2.gz GNXDCZAVFWXQHV-CYBMUJFWSA-N 0 1 338.791 3.451 10 10 EGCEMN COc1cccc(O)c1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC001298841222 1383437137 /nfs/dbraw/zinc/43/71/37/1383437137.db2.gz KLPFAEKASCGLJI-UHFFFAOYSA-N 0 1 342.178 3.343 10 10 EGCEMN FC(F)(F)[C@H](CNCc1ccc(N2CCCC2)cc1)n1cccn1 ZINC001331676101 1389853426 /nfs/dbraw/zinc/85/34/26/1389853426.db2.gz MYEHEJMQCPNKCI-INIZCTEOSA-N 0 1 338.377 3.377 10 10 EGCEMN Fc1ccc(N2CCN(Cc3ccc(N4CCCC4)cc3)CC2)nc1 ZINC001347220636 1391030564 /nfs/dbraw/zinc/03/05/64/1391030564.db2.gz FGRNXDSPNBDNJW-UHFFFAOYSA-N 0 1 340.446 3.143 10 10 EGCEMN COc1ccc(N2CCCN(Cc3cnn(CC(C)C)c3)CC2)cc1 ZINC000183157794 455241273 /nfs/dbraw/zinc/24/12/73/455241273.db2.gz UKVMLPYVSITVEQ-UHFFFAOYSA-N 0 1 342.487 3.260 10 10 EGCEMN Cc1ccc(C[N@@H+](C)Cc2cc(=O)oc3cc([O-])c(O)cc23)c(C)c1 ZINC000095385609 454199686 /nfs/dbraw/zinc/19/96/86/454199686.db2.gz ZBTSULZGINGVHN-UHFFFAOYSA-N 0 1 339.391 3.453 10 10 EGCEMN Cc1ccc(C[N@H+](C)Cc2cc(=O)oc3cc([O-])c(O)cc23)c(C)c1 ZINC000095385609 454199691 /nfs/dbraw/zinc/19/96/91/454199691.db2.gz ZBTSULZGINGVHN-UHFFFAOYSA-N 0 1 339.391 3.453 10 10 EGCEMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CC[C@@H](Oc3cccnc3)C2)c1[O-] ZINC000093690934 454729571 /nfs/dbraw/zinc/72/95/71/454729571.db2.gz WYEVRMVYVBUBML-CQSZACIVSA-N 0 1 349.774 3.002 10 10 EGCEMN COc1ccc(O)c([C@@H](C)N[C@H]2CCCn3nc(C(C)C)nc32)c1 ZINC000185684053 455595389 /nfs/dbraw/zinc/59/53/89/455595389.db2.gz JPVINRKVQPKXTB-DOMZBBRYSA-N 0 1 330.432 3.301 10 10 EGCEMN CN(C)c1ccc(CNCc2ccnc(OC(F)F)c2)cc1F ZINC000283994858 455621815 /nfs/dbraw/zinc/62/18/15/455621815.db2.gz MEPFYMBPHODMQO-UHFFFAOYSA-N 0 1 325.334 3.178 10 10 EGCEMN Cc1cc(C(=O)N2CCC(c3cnc[nH]3)CC2)c(C)n1-c1ccccn1 ZINC000371170397 457815273 /nfs/dbraw/zinc/81/52/73/457815273.db2.gz NXYYOTBLBMVZEH-UHFFFAOYSA-N 0 1 349.438 3.232 10 10 EGCEMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N(C)CC(F)F)C1 ZINC000435854459 458213486 /nfs/dbraw/zinc/21/34/86/458213486.db2.gz GWSQCVIRMDMPHZ-UHFFFAOYSA-N 0 1 349.425 3.131 10 10 EGCEMN CC[C@H](NCc1cnn(CC)n1)c1cc(Br)ccc1O ZINC000527921947 459772448 /nfs/dbraw/zinc/77/24/48/459772448.db2.gz ALXNLMSHLZAPQP-ZDUSSCGKSA-N 0 1 339.237 3.007 10 10 EGCEMN Cc1nccnc1[C@H](C)N[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000872135863 1296760700 /nfs/dbraw/zinc/76/07/00/1296760700.db2.gz YHOFOGJLLRWALL-HIFRSBDPSA-N 0 1 344.434 3.173 10 10 EGCEMN COc1cccc([C@H]2CN(Cc3cc(F)cc(F)c3O)CCO2)c1 ZINC000894000032 1306171406 /nfs/dbraw/zinc/17/14/06/1306171406.db2.gz FKIRTXVWVYADBS-QGZVFWFLSA-N 0 1 335.350 3.253 10 10 EGCEMN CCc1cnc(N2CCN(Cc3cc(C)cc(OC)c3O)CC2)s1 ZINC000894019793 1306177235 /nfs/dbraw/zinc/17/72/35/1306177235.db2.gz DNKDWPXVAURZSR-UHFFFAOYSA-N 0 1 347.484 3.050 10 10 EGCEMN Cc1cc(C2(NC/C=C\c3ccc(N(C)C)cc3)CCOCC2)on1 ZINC000858326429 1328737059 /nfs/dbraw/zinc/73/70/59/1328737059.db2.gz OPSMNNNWJWYHSU-PLNGDYQASA-N 0 1 341.455 3.358 10 10 EGCEMN C[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1cc(O)cc(F)c1 ZINC000924711629 1323126965 /nfs/dbraw/zinc/12/69/65/1323126965.db2.gz UEEMTVHQKILBJX-CYBMUJFWSA-N 0 1 348.393 3.358 10 10 EGCEMN C[C@@H](NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1ccnnc1 ZINC000924713874 1323128629 /nfs/dbraw/zinc/12/86/29/1323128629.db2.gz GTQLXZUSRPZACF-RBSFLKMASA-N 0 1 344.434 3.080 10 10 EGCEMN CC[C@H](NCc1n[nH]c(C2CCOCC2)n1)c1ccc(N(C)C)cc1 ZINC000866441550 1330112764 /nfs/dbraw/zinc/11/27/64/1330112764.db2.gz MRYNIVGOCOOKER-KRWDZBQOSA-N 0 1 343.475 3.006 10 10 EGCEMN CC[C@@H]([NH2+]CC[C@H](O)C(F)F)c1ccc(C(F)(F)F)cc1[O-] ZINC000866442748 1330112838 /nfs/dbraw/zinc/11/28/38/1330112838.db2.gz RJDLEVDSGCOJKG-MNOVXSKESA-N 0 1 327.293 3.468 10 10 EGCEMN CC[C@@H](NCc1n[nH]c(C2CCOCC2)n1)c1ccc(N(C)C)cc1 ZINC000866441551 1330112860 /nfs/dbraw/zinc/11/28/60/1330112860.db2.gz MRYNIVGOCOOKER-QGZVFWFLSA-N 0 1 343.475 3.006 10 10 EGCEMN CCOc1ccc(N(Cc2nc(C(C)(C)N)no2)CC2CC2)cc1 ZINC000866673646 1330140381 /nfs/dbraw/zinc/14/03/81/1330140381.db2.gz ZDSRHSNIJVQIED-UHFFFAOYSA-N 0 1 330.432 3.079 10 10 EGCEMN COc1ccc(N(C)CCN(C)Cc2c(C3CCC3)cnn2C)cc1 ZINC001118577046 1371201561 /nfs/dbraw/zinc/20/15/61/1371201561.db2.gz HNPYOXCFAKVTBJ-UHFFFAOYSA-N 0 1 342.487 3.264 10 10 EGCEMN C[C@@H](NC(=O)c1ccc(Nc2ccncc2)cc1)c1ccccc1O ZINC001171723655 1384613662 /nfs/dbraw/zinc/61/36/62/1384613662.db2.gz WEDWAPGTARYPDY-CQSZACIVSA-N 0 1 333.391 3.444 10 10 EGCEMN COC(=O)c1c(CNCc2cccnc2C)c2cc(F)ccc2n1C ZINC001331549265 1389795530 /nfs/dbraw/zinc/79/55/30/1389795530.db2.gz RGXQVJYVJRWRPC-UHFFFAOYSA-N 0 1 341.386 3.097 10 10 EGCEMN Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCc1nnc(C2CCOCC2)[nH]1 ZINC001335520971 1390697950 /nfs/dbraw/zinc/69/79/50/1390697950.db2.gz KFGFLHUZFYDNJG-TZMCWYRMSA-N 0 1 342.443 3.051 10 10 EGCEMN Cc1n[nH]c(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)c1C ZINC000265316186 455304468 /nfs/dbraw/zinc/30/44/68/455304468.db2.gz PSWHOTUMXLKBEE-UHFFFAOYSA-N 0 1 326.444 3.193 10 10 EGCEMN CCN1C(=O)NC(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C1=O ZINC000005900657 452910983 /nfs/dbraw/zinc/91/09/83/452910983.db2.gz YBPDCXMQUKPTKA-LCYFTJDESA-N 0 1 344.754 3.082 10 10 EGCEMN CC1(CCCC[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)OCCO1 ZINC000278567835 455839832 /nfs/dbraw/zinc/83/98/32/455839832.db2.gz IYAMLOUJNSAXSU-GOSISDBHSA-N 0 1 349.471 3.307 10 10 EGCEMN CCOc1ccc(O)c(CN2CCC3(C2)Oc2ccccc2O3)c1 ZINC000290125824 456246860 /nfs/dbraw/zinc/24/68/60/456246860.db2.gz JFWJKNNEZPYKNI-UHFFFAOYSA-N 0 1 327.380 3.164 10 10 EGCEMN CCCCN(Cc1ccccc1O)C(=O)N[C@@H](C)Cc1cc(C)[nH]n1 ZINC000283565133 456804060 /nfs/dbraw/zinc/80/40/60/456804060.db2.gz INAIGFVUURRANI-AWEZNQCLSA-N 0 1 344.459 3.367 10 10 EGCEMN O=C1NN(c2ccccc2)C(=O)/C1=C/c1csc(-c2ccccc2)n1 ZINC000728699094 574767400 /nfs/dbraw/zinc/76/74/00/574767400.db2.gz RKIUCETTXIQZKH-LFIBNONCSA-N 0 1 347.399 3.272 10 10 EGCEMN Cc1cc(CCNC(=O)c2[nH]nc(C)c2C)c(C)n1-c1ccccc1 ZINC000734421576 575491170 /nfs/dbraw/zinc/49/11/70/575491170.db2.gz ZORSBPJNODVCGU-UHFFFAOYSA-N 0 1 336.439 3.407 10 10 EGCEMN COc1cc(C)cc(CN2CCc3ccc([N+](=O)[O-])cc3C2)c1O ZINC000164479668 1294348594 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CC[C@H]([NH2+]C1CCC(O)CC1)c1cc(Br)ccc1[O-] ZINC000019918814 212083444 /nfs/dbraw/zinc/08/34/44/212083444.db2.gz HIZWJDZPKYNJNT-YIZWMMSDSA-N 0 1 328.250 3.499 10 10 EGCEMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000093611898 454724153 /nfs/dbraw/zinc/72/41/53/454724153.db2.gz QBQQBFHPOYWOTC-LLVKDONJSA-N 0 1 330.133 3.198 10 10 EGCEMN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000093611898 454724156 /nfs/dbraw/zinc/72/41/56/454724156.db2.gz QBQQBFHPOYWOTC-LLVKDONJSA-N 0 1 330.133 3.198 10 10 EGCEMN Oc1cccc([C@H]2CN(Cc3c(O)ccc(Cl)c3F)CCO2)c1 ZINC000191371802 455480989 /nfs/dbraw/zinc/48/09/89/455480989.db2.gz AFLXAGGFMXEHOH-MRXNPFEDSA-N 0 1 337.778 3.464 10 10 EGCEMN Cc1nc([C@@H](N[C@H](C)c2cc(F)ccc2O)c2ccccc2)n[nH]1 ZINC000185325036 455540590 /nfs/dbraw/zinc/54/05/90/455540590.db2.gz LTXAFVPUWKGVRI-DIFFPNOSSA-N 0 1 326.375 3.398 10 10 EGCEMN C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@@H]1O)c1cc(Br)ccc1[O-] ZINC000185465571 455561810 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JXPMCTWFSJTXGS-IRXDYDNUSA-N 0 1 331.391 3.204 10 10 EGCEMN C[C@H]([NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)c1ccc2ccccc2c1[O-] ZINC000284494027 455695847 /nfs/dbraw/zinc/69/58/47/455695847.db2.gz VKLURMYUMQEFDH-JCKWVBRZSA-N 0 1 331.456 3.354 10 10 EGCEMN Cc1nnnn1-c1cccc(N[C@@H](C)c2ccc(F)c(F)c2O)c1 ZINC000187891791 455966130 /nfs/dbraw/zinc/96/61/30/455966130.db2.gz WFGMPCRIIGHMSV-VIFPVBQESA-N 0 1 331.326 3.128 10 10 EGCEMN CC[C@H]1CCN1C(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000347635476 457565432 /nfs/dbraw/zinc/56/54/32/457565432.db2.gz PUPFQUJHLMGPCZ-INIZCTEOSA-N 0 1 339.483 3.419 10 10 EGCEMN CCCCNC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000435667749 458180943 /nfs/dbraw/zinc/18/09/43/458180943.db2.gz PJYQEMZJYIMDMO-UHFFFAOYSA-N 0 1 327.472 3.324 10 10 EGCEMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCC2(C)CC2)C1 ZINC000435815705 458209721 /nfs/dbraw/zinc/20/97/21/458209721.db2.gz FRFMXZMWSDIVBP-UHFFFAOYSA-N 0 1 339.483 3.324 10 10 EGCEMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CCCc2n[nH]cc21 ZINC000377087761 458458341 /nfs/dbraw/zinc/45/83/41/458458341.db2.gz BWJPVYBFHNTVNN-SNVBAGLBSA-N 0 1 340.210 3.158 10 10 EGCEMN C[C@H](c1ccccc1)N(C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000727316451 574661328 /nfs/dbraw/zinc/66/13/28/574661328.db2.gz APTLCVRXVQYAJN-MRXNPFEDSA-N 0 1 325.456 3.062 10 10 EGCEMN Cc1cc(C(=O)NC(C)(C)c2c[nH]nn2)c(C)n1-c1ccccc1C ZINC000734984583 575584902 /nfs/dbraw/zinc/58/49/02/575584902.db2.gz VHXTWYPJTCSTAL-UHFFFAOYSA-N 0 1 337.427 3.186 10 10 EGCEMN C[C@H]1CN(Cc2cc3c(cc2O)CCC3)CCN1C(=O)OC(C)(C)C ZINC000742157912 576753088 /nfs/dbraw/zinc/75/30/88/576753088.db2.gz AISDKRRJNSDPQJ-AWEZNQCLSA-N 0 1 346.471 3.322 10 10 EGCEMN C[C@@H]1CN(Cc2cc(Cl)cc(Br)c2[O-])C[C@H](C)[N@@H+]1C ZINC000708141928 1298236919 /nfs/dbraw/zinc/23/69/19/1298236919.db2.gz XIHUSZAQIRLLKO-AOOOYVTPSA-N 0 1 347.684 3.333 10 10 EGCEMN COC(=O)c1c(CN2CCC(C)(OC)CC2)c2cc(F)ccc2n1C ZINC000894424779 1308873336 /nfs/dbraw/zinc/87/33/36/1308873336.db2.gz MQBRXMAEVAGEAY-UHFFFAOYSA-N 0 1 348.418 3.105 10 10 EGCEMN COC(=O)c1cnc(CN[C@@H](C)Cc2ccc(N(C)C)cc2C)s1 ZINC000895015817 1309158977 /nfs/dbraw/zinc/15/89/77/1309158977.db2.gz ZFARZPCYBJUNMU-ZDUSSCGKSA-N 0 1 347.484 3.025 10 10 EGCEMN CC[C@H]([NH2+]CC(C)(C)CS(C)(=O)=O)c1cc(Cl)ccc1[O-] ZINC000926954465 1327795018 /nfs/dbraw/zinc/79/50/18/1327795018.db2.gz DAEQGJKLNMJSBS-ZDUSSCGKSA-N 0 1 333.881 3.157 10 10 EGCEMN COC[C@@H]1CCC[N@H+](Cc2c([O-])cccc2Br)CC1 ZINC000862390554 1329481520 /nfs/dbraw/zinc/48/15/20/1329481520.db2.gz GNLIIFUQMOIGAC-GFCCVEGCSA-N 0 1 328.250 3.403 10 10 EGCEMN COC[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2Br)CC1 ZINC000862390554 1329481521 /nfs/dbraw/zinc/48/15/21/1329481521.db2.gz GNLIIFUQMOIGAC-GFCCVEGCSA-N 0 1 328.250 3.403 10 10 EGCEMN CCN(CC)c1ccc(CN2CC[C@H]3CC[C@@H](C2)[S@]3=O)cc1F ZINC000862527538 1329492277 /nfs/dbraw/zinc/49/22/77/1329492277.db2.gz QCBANLJJXIHWMJ-SYJLOODJSA-N 0 1 338.492 3.157 10 10 EGCEMN C[C@@H]([NH2+][C@H]1CCN(CC(C)(C)O)C1)c1ccc2ccccc2c1[O-] ZINC000866412134 1330108174 /nfs/dbraw/zinc/10/81/74/1330108174.db2.gz DVPXAJVSZPRGOI-ZBFHGGJFSA-N 0 1 328.456 3.041 10 10 EGCEMN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(F)cc(F)c1O ZINC001136429090 1377391693 /nfs/dbraw/zinc/39/16/93/1377391693.db2.gz ZAYCFVWXAVHFFD-UHFFFAOYSA-N 0 1 334.366 3.399 10 10 EGCEMN O=C(NCCCSc1nccs1)c1ccc(Cl)c(O)c1 ZINC001292996076 1382242732 /nfs/dbraw/zinc/24/27/32/1382242732.db2.gz ALAVCLNMWURSBZ-UHFFFAOYSA-N 0 1 328.846 3.414 10 10 EGCEMN CC[C@@H]([NH2+][C@@H]1CN2CCC1CC2)c1cc(Br)ccc1[O-] ZINC000019947262 212089205 /nfs/dbraw/zinc/08/92/05/212089205.db2.gz GKUWLOGOOYQCPK-HUUCEWRRSA-N 0 1 339.277 3.290 10 10 EGCEMN C[C@@H](NCc1cn(C)nc1C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000090666452 454334128 /nfs/dbraw/zinc/33/41/28/454334128.db2.gz COPTUMBSKNFYGR-LLVKDONJSA-N 0 1 326.366 3.356 10 10 EGCEMN CO[C@@H]1CC[C@@H]2OCCN(Cc3ccc(N4CCCCC4)cc3)[C@@H]2C1 ZINC000092095488 454520992 /nfs/dbraw/zinc/52/09/92/454520992.db2.gz IWQVUTBOPSFYLT-NJYVYQBISA-N 0 1 344.499 3.445 10 10 EGCEMN CN(C)c1ccc(CN2CCCN(C(=O)c3cccs3)CC2)cc1 ZINC000093385673 454710224 /nfs/dbraw/zinc/71/02/24/454710224.db2.gz PKCPMPGEYGQXAZ-UHFFFAOYSA-N 0 1 343.496 3.162 10 10 EGCEMN Cc1nc(C)n(C[C@H]2CCC[N@@H+](Cc3cccc(Cl)c3[O-])C2)n1 ZINC000180121310 455135057 /nfs/dbraw/zinc/13/50/57/455135057.db2.gz PMMLBVCEZJFNCL-AWEZNQCLSA-N 0 1 334.851 3.166 10 10 EGCEMN CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)[C@H]2COc3ccccc32)c1[O-] ZINC000185605373 455584149 /nfs/dbraw/zinc/58/41/49/455584149.db2.gz IENCFCDWNRBTHR-APPDUMDISA-N 0 1 329.371 3.388 10 10 EGCEMN CCOc1cccc(CNCc2ccn(Cc3ccccc3)n2)c1O ZINC000284095356 455635272 /nfs/dbraw/zinc/63/52/72/455635272.db2.gz RTRQVRJLKSELII-UHFFFAOYSA-N 0 1 337.423 3.326 10 10 EGCEMN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000294685635 455824048 /nfs/dbraw/zinc/82/40/48/455824048.db2.gz NEHLCTNNLRUPJR-CYBMUJFWSA-N 0 1 341.732 3.464 10 10 EGCEMN CC(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000295495496 455850855 /nfs/dbraw/zinc/85/08/55/455850855.db2.gz XZQSXXCBEQZBDC-LBPRGKRZSA-N 0 1 342.842 3.169 10 10 EGCEMN CC[C@H]([NH2+][C@H](C)c1cc(Br)ccc1[O-])[C@H](O)C(F)F ZINC000296307017 455905238 /nfs/dbraw/zinc/90/52/38/455905238.db2.gz GEKCYGNMJPVNTL-VHRDEZTHSA-N 0 1 338.192 3.210 10 10 EGCEMN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCN2CCC1CC2 ZINC000188632703 456099626 /nfs/dbraw/zinc/09/96/26/456099626.db2.gz FUTDCNFTIPQVKH-UHFFFAOYSA-N 0 1 329.469 3.076 10 10 EGCEMN C[C@H]([NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1cc(F)ccc1[O-] ZINC000273470341 456233551 /nfs/dbraw/zinc/23/35/51/456233551.db2.gz RXFPMQCYALHAAO-STQMWFEESA-N 0 1 338.423 3.439 10 10 EGCEMN C[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O)c1cc(Cl)ccc1[O-] ZINC000283002578 456685918 /nfs/dbraw/zinc/68/59/18/456685918.db2.gz GJGXHVRKVXOYBD-GDZNZVCISA-N 0 1 339.863 3.264 10 10 EGCEMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2C[C@H](C)[C@@H]2C)C1 ZINC000357528061 457581296 /nfs/dbraw/zinc/58/12/96/457581296.db2.gz AEZLDNWVHRJLRS-HOTGVXAUSA-N 0 1 339.483 3.275 10 10 EGCEMN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2CCc3nc[nH]c3C2)cc1 ZINC000371279941 457848205 /nfs/dbraw/zinc/84/82/05/457848205.db2.gz MFYKKSZAYYUZRS-INIZCTEOSA-N 0 1 334.423 3.105 10 10 EGCEMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CCCC2)C1 ZINC000436460975 458306478 /nfs/dbraw/zinc/30/64/78/458306478.db2.gz ZIVDPEWGNOXEOR-UHFFFAOYSA-N 0 1 325.456 3.030 10 10 EGCEMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2[C@H](C)C[C@H]2C)C1 ZINC000525939685 459517501 /nfs/dbraw/zinc/51/75/01/459517501.db2.gz CFODEROYOVZQSM-HZPDHXFCSA-N 0 1 339.483 3.417 10 10 EGCEMN [O-]c1cc(Br)ccc1C[NH2+]C[C@H]1CCN1C1CCCC1 ZINC000529668913 459833130 /nfs/dbraw/zinc/83/31/30/459833130.db2.gz JCFVLWUQYMCNPF-OAHLLOKOSA-N 0 1 339.277 3.261 10 10 EGCEMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CC=CCC2)C1 ZINC000683450260 550230501 /nfs/dbraw/zinc/23/05/01/550230501.db2.gz CPDPKDBDFIDBLJ-UHFFFAOYSA-N 0 1 337.467 3.196 10 10 EGCEMN COc1cc(C)cc(CN2CCN(Cc3ccsc3)CC2)c1O ZINC000732556533 575276133 /nfs/dbraw/zinc/27/61/33/575276133.db2.gz OGRMNWZRCAGTQR-UHFFFAOYSA-N 0 1 332.469 3.089 10 10 EGCEMN C[C@@]12COC[C@]1(C)C[N@H+](Cc1cc(Br)cc(F)c1[O-])C2 ZINC000895251155 1309258488 /nfs/dbraw/zinc/25/84/88/1309258488.db2.gz HQTYFVXOTUIJDV-GASCZTMLSA-N 0 1 344.224 3.152 10 10 EGCEMN Oc1c(F)cc(Cl)cc1CN1CCn2cnc(C(F)(F)F)c2C1 ZINC000895561770 1309403214 /nfs/dbraw/zinc/40/32/14/1309403214.db2.gz HFLPMIVQENEKKH-UHFFFAOYSA-N 0 1 349.715 3.416 10 10 EGCEMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CC[C@@H](c3nccs3)C2)c1[O-] ZINC000895585124 1309415153 /nfs/dbraw/zinc/41/51/53/1309415153.db2.gz WNBMQXMUGBVNTF-SECBINFHSA-N 0 1 339.804 3.400 10 10 EGCEMN CC(C)OC(=O)C1CCN(C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000895828107 1309541897 /nfs/dbraw/zinc/54/18/97/1309541897.db2.gz JUNAOCARQYEEHK-AATRIKPKSA-N 0 1 330.472 3.429 10 10 EGCEMN [O-]c1cccc(Br)c1C[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000862246507 1329470553 /nfs/dbraw/zinc/47/05/53/1329470553.db2.gz PMRRUVFXEWDRTB-UHFFFAOYSA-N 0 1 336.233 3.257 10 10 EGCEMN Cc1cc([O-])c(C[NH2+]C[C@H]2CC3(CO2)CCOCC3)c(Cl)c1 ZINC000865779361 1329737535 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CCOC(=O)c1cc(CN[C@H]2C[C@@H](C)c3c2c(O)ccc3C)on1 ZINC001329375386 1389083437 /nfs/dbraw/zinc/08/34/37/1389083437.db2.gz KYJVRFGYWMPEPH-YPMHNXCESA-N 0 1 330.384 3.203 10 10 EGCEMN CCn1cc([C@H]2CN(Cc3c(O)ccc4ccccc43)CCO2)cn1 ZINC000189848226 455245902 /nfs/dbraw/zinc/24/59/02/455245902.db2.gz RJUOSRSOPPUROR-HXUWFJFHSA-N 0 1 337.423 3.335 10 10 EGCEMN Cc1occc1C(=O)NC1CC[NH+](Cc2c([O-])cccc2Cl)CC1 ZINC000130969744 454228806 /nfs/dbraw/zinc/22/88/06/454228806.db2.gz JAYCITXOHQNTOD-UHFFFAOYSA-N 0 1 348.830 3.341 10 10 EGCEMN COc1ccc(O)c([C@H](C)N[C@@H](c2n[nH]c(C)n2)c2ccccc2)c1 ZINC000185324428 455540089 /nfs/dbraw/zinc/54/00/89/455540089.db2.gz WYNRMQVZSBUJLS-KPZWWZAWSA-N 0 1 338.411 3.268 10 10 EGCEMN C[C@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1cc(Cl)ccc1[O-] ZINC000185552229 455577285 /nfs/dbraw/zinc/57/72/85/455577285.db2.gz GOPLSVKMTVYZTK-GXTWGEPZSA-N 0 1 334.851 3.099 10 10 EGCEMN CN(C)c1ccc(CN(C(=O)[C@@H]2CCCc3[nH]ncc32)C2CC2)cc1 ZINC000268160521 455606615 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CC(C)N1CCc2c(c3ccccc3n2CC(=O)Nc2ccccn2)C1 ZINC000563345114 459764382 /nfs/dbraw/zinc/76/43/82/459764382.db2.gz WIIYEFNREUZNSG-UHFFFAOYSA-N 0 1 348.450 3.442 10 10 EGCEMN COc1cc(C)cc(CN2CC[N@H+](C)C[C@@H]2c2ccccc2)c1O ZINC000164114003 1294344145 /nfs/dbraw/zinc/34/41/45/1294344145.db2.gz MGBKYSMMDXUKEE-GOSISDBHSA-N 0 1 326.440 3.198 10 10 EGCEMN COc1ccc(O)c([C@H](C)NCc2nccn2Cc2ccccc2)c1 ZINC000182464356 1295050414 /nfs/dbraw/zinc/05/04/14/1295050414.db2.gz WZTNULAKSJEFJK-HNNXBMFYSA-N 0 1 337.423 3.496 10 10 EGCEMN COc1cccc([C@@H]2CN(Cc3cc(F)cc(F)c3O)CCO2)c1 ZINC000894000031 1306170931 /nfs/dbraw/zinc/17/09/31/1306170931.db2.gz FKIRTXVWVYADBS-KRWDZBQOSA-N 0 1 335.350 3.253 10 10 EGCEMN [O-]c1cccc(Br)c1C[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000895844117 1309551653 /nfs/dbraw/zinc/55/16/53/1309551653.db2.gz METVVMGFEQVVTF-ABAIWWIYSA-N 0 1 326.234 3.156 10 10 EGCEMN [O-]c1cccc(Br)c1C[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000895844117 1309551649 /nfs/dbraw/zinc/55/16/49/1309551649.db2.gz 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CCc1noc(C)c1CN[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000293735100 455795550 /nfs/dbraw/zinc/79/55/50/455795550.db2.gz OSTJSNJCCLPQCG-CYBMUJFWSA-N 0 1 347.434 3.372 10 10 EGCEMN C[C@H]([NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12)c1ccc(Br)cc1[O-] ZINC000251854999 455798439 /nfs/dbraw/zinc/79/84/39/455798439.db2.gz NUTVJSMJNMXEHY-WTKQLKIWSA-N 0 1 326.234 3.373 10 10 EGCEMN COc1c([O-])c(C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000278431886 455836286 /nfs/dbraw/zinc/83/62/86/455836286.db2.gz UBOBLUCPYYNYIN-VIFPVBQESA-N 0 1 334.294 3.083 10 10 EGCEMN COc1c([O-])c(C[N@H+]2CC[C@@H](CC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000278431886 455836292 /nfs/dbraw/zinc/83/62/92/455836292.db2.gz UBOBLUCPYYNYIN-VIFPVBQESA-N 0 1 334.294 3.083 10 10 EGCEMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC[C@@H]2C[C@H]2C)C1 ZINC000443942256 457827705 /nfs/dbraw/zinc/82/77/05/457827705.db2.gz JUQCLOUWUXNXOE-CVEARBPZSA-N 0 1 339.483 3.180 10 10 EGCEMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2[C@@H](C)C[C@@H]2C)C1 ZINC000525939684 459518145 /nfs/dbraw/zinc/51/81/45/459518145.db2.gz CFODEROYOVZQSM-HOTGVXAUSA-N 0 1 339.483 3.417 10 10 EGCEMN COC[C@H]1CCN(CC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)C1 ZINC000739923197 576520311 /nfs/dbraw/zinc/52/03/11/576520311.db2.gz UKJMOQNFNMSMIP-INIZCTEOSA-N 0 1 344.430 3.384 10 10 EGCEMN CO[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708138540 1298236378 /nfs/dbraw/zinc/23/63/78/1298236378.db2.gz CEUBWQIXFPMXMN-NSHDSACASA-N 0 1 334.641 3.419 10 10 EGCEMN C[C@@H]1[C@H](C)OC[C@]12CC[C@H](C[NH2+]Cc1cc(Cl)ccc1[O-])O2 ZINC000886340505 1303442493 /nfs/dbraw/zinc/44/24/93/1303442493.db2.gz HUPZPCOTUBIUIE-DJZPMSPPSA-N 0 1 325.836 3.108 10 10 EGCEMN CCN(CC)c1ccc(CN2CC[C@@](CO)(C(F)(F)F)C2)cc1F ZINC000895838028 1309546896 /nfs/dbraw/zinc/54/68/96/1309546896.db2.gz ZLTZFOUGDPKLEZ-MRXNPFEDSA-N 0 1 348.384 3.419 10 10 EGCEMN [O-]c1cccc(Br)c1C[N@@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000895844120 1309552546 /nfs/dbraw/zinc/55/25/46/1309552546.db2.gz METVVMGFEQVVTF-IAQYHMDHSA-N 0 1 326.234 3.156 10 10 EGCEMN [O-]c1cccc(Br)c1C[N@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000895844120 1309552550 /nfs/dbraw/zinc/55/25/50/1309552550.db2.gz METVVMGFEQVVTF-IAQYHMDHSA-N 0 1 326.234 3.156 10 10 EGCEMN COc1ccc(N2CC[C@H](N[C@@H]3CCCc4oc(C)nc43)C2)cc1 ZINC000926680445 1327663481 /nfs/dbraw/zinc/66/34/81/1327663481.db2.gz OKWXMTTWJMFDTN-WMLDXEAASA-N 0 1 327.428 3.238 10 10 EGCEMN Cc1cc([O-])c(C[NH2+]C[C@H](n2cccn2)C(F)(F)F)cc1Cl ZINC000862434881 1329486765 /nfs/dbraw/zinc/48/67/65/1329486765.db2.gz JJLTVGGIVBNELH-ZDUSSCGKSA-N 0 1 333.741 3.444 10 10 EGCEMN Cc1cc([O-])c(C[NH2+]C[C@@H]2CC3(CO2)CCOCC3)c(Cl)c1 ZINC000865779363 1329737713 /nfs/dbraw/zinc/73/77/13/1329737713.db2.gz HIPLHUCNWPLOIG-ZDUSSCGKSA-N 0 1 325.836 3.029 10 10 EGCEMN C[C@H]([NH2+]C[C@@H]1CC2(CO1)CCOCC2)c1cc(Cl)ccc1[O-] ZINC000866530680 1330122415 /nfs/dbraw/zinc/12/24/15/1330122415.db2.gz BHEKDSPEJZHDBO-JSGCOSHPSA-N 0 1 325.836 3.282 10 10 EGCEMN CC(=O)c1cc(F)cc(CN2CCN(CCC(C)(C)C)CC2)c1O ZINC001190465925 1367271024 /nfs/dbraw/zinc/27/10/24/1367271024.db2.gz OWVCTKMITBGKLI-UHFFFAOYSA-N 0 1 336.451 3.288 10 10 EGCEMN CN1CCN(c2ccc(CNC(=O)[C@@H]3CCC=CCCC3)cc2)CC1 ZINC001132903107 1375635538 /nfs/dbraw/zinc/63/55/38/1375635538.db2.gz SMXCKSNLGODESA-LJQANCHMSA-N 0 1 341.499 3.191 10 10 EGCEMN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@H]1CCN1C(C)(C)C ZINC001135800922 1377214671 /nfs/dbraw/zinc/21/46/71/1377214671.db2.gz VRKVLJXDWFCPIZ-SFHVURJKSA-N 0 1 329.488 3.118 10 10 EGCEMN FC(F)(F)c1ncc(CNCc2ccc(N3CCCC3)cc2)cn1 ZINC001327832905 1388602275 /nfs/dbraw/zinc/60/22/75/1388602275.db2.gz WAZJSPTTXZNWHC-UHFFFAOYSA-N 0 1 336.361 3.385 10 10 EGCEMN CCOC(=O)[C@@H](C(=O)NCc1cc(Cl)cc(Cl)c1O)C(C)C ZINC001160600672 1382150351 /nfs/dbraw/zinc/15/03/51/1382150351.db2.gz XHFNMIUFQOQPBM-GFCCVEGCSA-N 0 1 348.226 3.151 10 10 EGCEMN CC[C@@](O)(CN(Cc1ccc(N(C)C)cc1)C1CC1)C(F)(F)F ZINC001307424774 1383988365 /nfs/dbraw/zinc/98/83/65/1383988365.db2.gz VLLAZXMUCPEVOH-MRXNPFEDSA-N 0 1 330.394 3.420 10 10 EGCEMN CCN(C)c1ccc(CN2CCOc3ccccc3[C@H]2CO)cc1 ZINC001308103988 1384093317 /nfs/dbraw/zinc/09/33/17/1384093317.db2.gz AZVABTCDNLSTPD-LJQANCHMSA-N 0 1 326.440 3.071 10 10 EGCEMN CCOc1ccc(O)c(CN(C)Cc2cn(C)nc2C(F)(F)F)c1 ZINC000092069144 454514193 /nfs/dbraw/zinc/51/41/93/454514193.db2.gz BAKDVDKMJVUXPC-UHFFFAOYSA-N 0 1 343.349 3.175 10 10 EGCEMN Cc1ncc(CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)s1 ZINC000123775275 454674160 /nfs/dbraw/zinc/67/41/60/454674160.db2.gz ZIAMMCSYQJPOTM-LBPRGKRZSA-N 0 1 335.448 3.278 10 10 EGCEMN O=C(C1CC[NH+](Cc2cc(Cl)ccc2[O-])CC1)N1CCCCC1 ZINC000162644959 454789923 /nfs/dbraw/zinc/78/99/23/454789923.db2.gz JORJQWAJIHVXPF-UHFFFAOYSA-N 0 1 336.863 3.270 10 10 EGCEMN O=C(C1CCCCC1)N1CCN(Cc2cccc(Cl)c2O)CC1 ZINC000179880104 455092963 /nfs/dbraw/zinc/09/29/63/455092963.db2.gz SYOQHBKGJIGXAU-UHFFFAOYSA-N 0 1 336.863 3.270 10 10 EGCEMN C[C@@H]([NH2+]C1CCN(c2ncccn2)CC1)c1cc(Cl)ccc1[O-] ZINC000185023559 455488121 /nfs/dbraw/zinc/48/81/21/455488121.db2.gz VJARFCOYPJYUIU-GFCCVEGCSA-N 0 1 332.835 3.155 10 10 EGCEMN C[C@H]([NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)c1ccc2ccccc2c1[O-] ZINC000284494025 455695805 /nfs/dbraw/zinc/69/58/05/455695805.db2.gz VKLURMYUMQEFDH-DHSIGJKJSA-N 0 1 331.456 3.354 10 10 EGCEMN CC1([C@H]2CCC[N@@H+](Cc3cc(Cl)c(F)cc3[O-])C2)OCCO1 ZINC000293499445 455789127 /nfs/dbraw/zinc/78/91/27/455789127.db2.gz BJNJMAPERCBAHU-LBPRGKRZSA-N 0 1 329.799 3.160 10 10 EGCEMN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000295406946 455848131 /nfs/dbraw/zinc/84/81/31/455848131.db2.gz RGMAVKFJCVJIJC-JQWIXIFHSA-N 0 1 327.705 3.072 10 10 EGCEMN CC[C@H]([NH2+][C@H](C)c1ccc(Br)cc1[O-])[C@@H](O)C(F)F ZINC000296563008 455974714 /nfs/dbraw/zinc/97/47/14/455974714.db2.gz SJSPWQSWDOGSJD-INNHCVQGSA-N 0 1 338.192 3.210 10 10 EGCEMN C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1cc(F)ccc1[O-] ZINC000273470328 456233230 /nfs/dbraw/zinc/23/32/30/456233230.db2.gz RXFPMQCYALHAAO-OLZOCXBDSA-N 0 1 338.423 3.439 10 10 EGCEMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N(C)C2CC2)C1 ZINC000435527291 458157913 /nfs/dbraw/zinc/15/79/13/458157913.db2.gz RBBOCZMTRYXQKE-UHFFFAOYSA-N 0 1 325.456 3.029 10 10 EGCEMN Cc1cc(Cl)cc(CN2C[C@@H](C)O[C@]3(CCCOC3)C2)c1O ZINC000373634852 458559308 /nfs/dbraw/zinc/55/93/08/458559308.db2.gz GEFSISIJAOKJIM-CXAGYDPISA-N 0 1 325.836 3.124 10 10 EGCEMN CN(C)CCC[N@H+](C)Cc1cc(Cl)cc(Br)c1[O-] ZINC000708139128 1298235566 /nfs/dbraw/zinc/23/55/66/1298235566.db2.gz FRIJCMSPDBAPFA-UHFFFAOYSA-N 0 1 335.673 3.192 10 10 EGCEMN CN(C)CCC[N@@H+](C)Cc1cc(Cl)cc(Br)c1[O-] ZINC000708139128 1298235573 /nfs/dbraw/zinc/23/55/73/1298235573.db2.gz FRIJCMSPDBAPFA-UHFFFAOYSA-N 0 1 335.673 3.192 10 10 EGCEMN CC(C)O[C@H]1CC[N@@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000715819266 1298289522 /nfs/dbraw/zinc/28/95/22/1298289522.db2.gz VDWBVSYOQFEDAK-LBPRGKRZSA-N 0 1 332.213 3.293 10 10 EGCEMN C[C@@H]([NH2+]CCOC1CCOCC1)c1ccc(Br)cc1[O-] ZINC000927077684 1327846914 /nfs/dbraw/zinc/84/69/14/1327846914.db2.gz BLCXTIYSFSAOAB-LLVKDONJSA-N 0 1 344.249 3.001 10 10 EGCEMN COc1ccc(N2CCCN([C@@H](C)c3snnc3C)CC2)cc1 ZINC000929314427 1328565322 /nfs/dbraw/zinc/56/53/22/1328565322.db2.gz AVGKLIGHWBLMPH-AWEZNQCLSA-N 0 1 332.473 3.128 10 10 EGCEMN [O-]c1cccc(Br)c1C[NH2+][C@H]1C[C@@H](O)c2ccccc21 ZINC000858189570 1328707237 /nfs/dbraw/zinc/70/72/37/1328707237.db2.gz OVQYAXYQSRAJDB-GOEBONIOSA-N 0 1 334.213 3.423 10 10 EGCEMN Oc1cccc(Br)c1CN[C@H]1C[C@@H](O)c2ccccc21 ZINC000858189570 1328707241 /nfs/dbraw/zinc/70/72/41/1328707241.db2.gz OVQYAXYQSRAJDB-GOEBONIOSA-N 0 1 334.213 3.423 10 10 EGCEMN C[C@@H]([NH2+]CC(C)(C)CS(C)(=O)=O)c1ccc2ccccc2c1[O-] ZINC000926952573 1327791929 /nfs/dbraw/zinc/79/19/29/1327791929.db2.gz BDSKBQIVYVTQFT-CYBMUJFWSA-N 0 1 335.469 3.267 10 10 EGCEMN C[C@H]([NH2+]CCOC1CCOCC1)c1cc(Br)ccc1[O-] ZINC000927078500 1327846970 /nfs/dbraw/zinc/84/69/70/1327846970.db2.gz HHIRGMVCRMXNED-NSHDSACASA-N 0 1 344.249 3.001 10 10 EGCEMN COC[C@@]1(C)C[N@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)CCO1 ZINC000863343314 1329548831 /nfs/dbraw/zinc/54/88/31/1329548831.db2.gz UWITVDJHMGCJKY-HXUWFJFHSA-N 0 1 345.439 3.255 10 10 EGCEMN COC[C@@]1(C)C[N@@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)CCO1 ZINC000863343314 1329548833 /nfs/dbraw/zinc/54/88/33/1329548833.db2.gz UWITVDJHMGCJKY-HXUWFJFHSA-N 0 1 345.439 3.255 10 10 EGCEMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@]12C[C@H]1COC21CCC1 ZINC000935992011 1330102393 /nfs/dbraw/zinc/10/23/93/1330102393.db2.gz KFAMGNRMEGGVSU-QFYYESIMSA-N 0 1 342.222 3.274 10 10 EGCEMN CCOC(=O)c1cc(CN[C@H]2C[C@H](C)c3c2c(O)ccc3C)on1 ZINC001329375383 1389082958 /nfs/dbraw/zinc/08/29/58/1389082958.db2.gz KYJVRFGYWMPEPH-AAEUAGOBSA-N 0 1 330.384 3.203 10 10 EGCEMN CC[C@H]([NH2+]Cc1ccnc(C)n1)c1cc(Br)ccc1[O-] ZINC000038037433 213195691 /nfs/dbraw/zinc/19/56/91/213195691.db2.gz JYAZJEZJWHLMLX-AWEZNQCLSA-N 0 1 336.233 3.494 10 10 EGCEMN CC(=O)c1ccc(OC[C@H]2CN[C@H](c3ccc(N(C)C)cc3)O2)cc1 ZINC000032722770 453885706 /nfs/dbraw/zinc/88/57/06/453885706.db2.gz RYOFAHLLLJAPSX-UXHICEINSA-N 0 1 340.423 3.021 10 10 EGCEMN O=C1C[C@@H](c2ccccc2)[N@@H+](Cc2cccc(Cl)c2[O-])CCN1 ZINC000179784274 455078617 /nfs/dbraw/zinc/07/86/17/455078617.db2.gz OBTIOBBULXRALS-INIZCTEOSA-N 0 1 330.815 3.109 10 10 EGCEMN CC(C)C(=O)N1CCN(Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000264009796 455181744 /nfs/dbraw/zinc/18/17/44/455181744.db2.gz RSZVBTILEMLOAN-UHFFFAOYSA-N 0 1 338.451 3.359 10 10 EGCEMN CCn1cc(C2CCN(Cc3cc(F)cc(C(C)=O)c3O)CC2)cn1 ZINC000175618823 455471803 /nfs/dbraw/zinc/47/18/03/455471803.db2.gz NHBPANXJPQVIOA-UHFFFAOYSA-N 0 1 345.418 3.330 10 10 EGCEMN CCn1cc(C2CC[NH+](Cc3cc(F)cc(C(C)=O)c3[O-])CC2)cn1 ZINC000175618823 455471807 /nfs/dbraw/zinc/47/18/07/455471807.db2.gz NHBPANXJPQVIOA-UHFFFAOYSA-N 0 1 345.418 3.330 10 10 EGCEMN C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CO)c1cc(Br)ccc1[O-] ZINC000185506740 455569676 /nfs/dbraw/zinc/56/96/76/455569676.db2.gz BGXFZSRBFDDCNB-MISXGVKJSA-N 0 1 328.250 3.356 10 10 EGCEMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCS[C@H]2COCC[C@H]21 ZINC000247282068 455583117 /nfs/dbraw/zinc/58/31/17/455583117.db2.gz YQHRCTSMHBSJDX-OLZOCXBDSA-N 0 1 334.268 3.405 10 10 EGCEMN CC(=O)c1cc(F)cc(C[NH2+][C@H](C)[C@@H]2COc3ccccc32)c1[O-] ZINC000185605356 455583969 /nfs/dbraw/zinc/58/39/69/455583969.db2.gz IENCFCDWNRBTHR-DIFFPNOSSA-N 0 1 329.371 3.388 10 10 EGCEMN CC(C)OCc1nc([C@H](C)NCc2cc(Cl)c(F)cc2O)no1 ZINC000293512298 455788797 /nfs/dbraw/zinc/78/87/97/455788797.db2.gz AFAVUJRHVCRSDZ-VIFPVBQESA-N 0 1 343.786 3.344 10 10 EGCEMN C[C@H]([NH2+][C@@H]1C[C@H]2OCCC[C@@H]12)c1ccc(Br)cc1[O-] ZINC000251854997 455797742 /nfs/dbraw/zinc/79/77/42/455797742.db2.gz NUTVJSMJNMXEHY-GCVYGYKWSA-N 0 1 326.234 3.373 10 10 EGCEMN C[C@H]([NH2+]Cc1cccc(N2CCOCC2)n1)c1cc(Cl)ccc1[O-] ZINC000274753895 456264130 /nfs/dbraw/zinc/26/41/30/456264130.db2.gz BTHKKFPVFOMZQC-ZDUSSCGKSA-N 0 1 347.846 3.128 10 10 EGCEMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CC2(C)C)C1 ZINC000444017090 457843102 /nfs/dbraw/zinc/84/31/02/457843102.db2.gz CSPYPJVESALSAN-LJQANCHMSA-N 0 1 339.483 3.323 10 10 EGCEMN O=C1C[C@H]([C@H]2CCCC[N@@H+]2Cc2cc(Cl)cc(Cl)c2[O-])CN1 ZINC000367542804 457962469 /nfs/dbraw/zinc/96/24/69/457962469.db2.gz SQQRMJHFTZDEAO-IINYFYTJSA-N 0 1 343.254 3.190 10 10 EGCEMN COc1c([O-])c(C[NH2+][C@H]2CCCc3nc(C)sc32)ccc1[N+](=O)[O-] ZINC000373209927 458431506 /nfs/dbraw/zinc/43/15/06/458431506.db2.gz XWYFQQBESXWDKD-NSHDSACASA-N 0 1 349.412 3.241 10 10 EGCEMN CC[C@@H](NCc1cnn(CC)n1)c1cc(Br)ccc1O ZINC000527921946 459772474 /nfs/dbraw/zinc/77/24/74/459772474.db2.gz ALXNLMSHLZAPQP-CYBMUJFWSA-N 0 1 339.237 3.007 10 10 EGCEMN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000528272501 459801429 /nfs/dbraw/zinc/80/14/29/459801429.db2.gz BBTRHQJFFXLBIU-NMSKTSORSA-N 0 1 347.242 3.310 10 10 EGCEMN Oc1c(Br)cc(Cl)cc1CN1C[C@@H](F)[C@@H](F)C1 ZINC000714561914 1298273788 /nfs/dbraw/zinc/27/37/88/1298273788.db2.gz SAAAPDGZHLQQAE-AOOOYVTPSA-N 0 1 326.568 3.300 10 10 EGCEMN C[C@@H]1CN(Cc2cc(F)cc(F)c2O)C[C@@H](CC(F)(F)F)O1 ZINC000895354273 1309296465 /nfs/dbraw/zinc/29/64/65/1309296465.db2.gz WWFIZPSMEDYNPH-LDYMZIIASA-N 0 1 325.277 3.212 10 10 EGCEMN COc1ccc([C@@H]2CN(Cc3cc(F)cc(F)c3O)CCO2)cc1 ZINC000895460801 1309347943 /nfs/dbraw/zinc/34/79/43/1309347943.db2.gz VBUUERYLJZVUFK-KRWDZBQOSA-N 0 1 335.350 3.253 10 10 EGCEMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CC[C@H](c3nccs3)C2)c1[O-] ZINC000895585126 1309415231 /nfs/dbraw/zinc/41/52/31/1309415231.db2.gz WNBMQXMUGBVNTF-VIFPVBQESA-N 0 1 339.804 3.400 10 10 EGCEMN C[C@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccns1 ZINC000924758791 1323148620 /nfs/dbraw/zinc/14/86/20/1323148620.db2.gz AZRQTTUBDKOAHH-LBPRGKRZSA-N 0 1 335.448 3.094 10 10 EGCEMN C[C@H]([NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2)c1ccc(Br)cc1[O-] ZINC000926938143 1327785058 /nfs/dbraw/zinc/78/50/58/1327785058.db2.gz SDDNQDSSMPVLMD-FMSGJZPZSA-N 0 1 338.245 3.396 10 10 EGCEMN C[C@@H]([NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2)c1ccc(Br)cc1[O-] ZINC000926938142 1327785121 /nfs/dbraw/zinc/78/51/21/1327785121.db2.gz SDDNQDSSMPVLMD-CZXHOFHRSA-N 0 1 338.245 3.396 10 10 EGCEMN CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1cc(Cl)ccc1[O-] ZINC000927039999 1327827703 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CC[C@@H]([NH2+]CC1(N)CCOCC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000863542544 1329561965 /nfs/dbraw/zinc/56/19/65/1329561965.db2.gz WNICPKVWOYOTBG-CYBMUJFWSA-N 0 1 333.259 3.248 10 10 EGCEMN CN(C)c1ccc(CN(C)[C@H]2CCCN(c3ccccc3)C2=O)cc1 ZINC001167387288 1383619749 /nfs/dbraw/zinc/61/97/49/1383619749.db2.gz RKVWUNQUFYNNJB-FQEVSTJZSA-N 0 1 337.467 3.380 10 10 EGCEMN Cc1cc(O)c(C(C)C)cc1NS(=O)(=O)c1cnn(CC2CC2)c1 ZINC001343044806 1390687302 /nfs/dbraw/zinc/68/73/02/1390687302.db2.gz AARLLAFRUGWHAO-UHFFFAOYSA-N 0 1 349.456 3.231 10 10 EGCEMN C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)c1cc(Br)ccc1[O-] ZINC000185531061 455573997 /nfs/dbraw/zinc/57/39/97/455573997.db2.gz LOFPERHWOCTTNL-MJVIPROJSA-N 0 1 328.250 3.356 10 10 EGCEMN Cc1cc(Cl)cc(C[NH2+][C@@H](C2CC2)C2(CO)CCOCC2)c1[O-] ZINC000294152732 455806717 /nfs/dbraw/zinc/80/67/17/455806717.db2.gz VMMJZYHZEOCLFR-KRWDZBQOSA-N 0 1 339.863 3.011 10 10 EGCEMN CN(C)c1ccc(CNCc2n[nH]c(C3CC3)n2)c(C(F)(F)F)c1 ZINC000294672917 455823951 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[O-]c1ccc(Br)cc1C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000367438455 457954750 /nfs/dbraw/zinc/95/47/50/457954750.db2.gz NBZCOVHHXHBGNB-HNNXBMFYSA-N 0 1 326.234 3.157 10 10 EGCEMN CCO[C@@]1(C)C[C@H]1NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000528213576 459800724 /nfs/dbraw/zinc/80/07/24/459800724.db2.gz YQTVNEQCJKOTPQ-RISCZKNCSA-N 0 1 333.215 3.066 10 10 EGCEMN Cc1nccnc1[C@@H](C)N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000872135861 1296760144 /nfs/dbraw/zinc/76/01/44/1296760144.db2.gz YHOFOGJLLRWALL-DZGCQCFKSA-N 0 1 344.434 3.173 10 10 EGCEMN CC[N@H+]1CCN(Cc2cc(Cl)cc(Br)c2[O-])C[C@H]1C ZINC000708141611 1298237141 /nfs/dbraw/zinc/23/71/41/1298237141.db2.gz SVQAAVPYFOESMA-SNVBAGLBSA-N 0 1 347.684 3.334 10 10 EGCEMN Oc1c(Br)cc(Cl)cc1CN1C[C@@H](F)[C@H](F)C1 ZINC000714561917 1298273251 /nfs/dbraw/zinc/27/32/51/1298273251.db2.gz SAAAPDGZHLQQAE-NXEZZACHSA-N 0 1 326.568 3.300 10 10 EGCEMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H](n3ccnn3)CC2)c1O ZINC000878942156 1300275671 /nfs/dbraw/zinc/27/56/71/1300275671.db2.gz 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1328681545 /nfs/dbraw/zinc/68/15/45/1328681545.db2.gz UZHSDEYPBDVYML-GFCCVEGCSA-N 0 1 327.266 3.119 10 10 EGCEMN CN(C)c1cc(F)c(CN[C@H]2CCCc3[nH]c(=O)ccc32)cc1F ZINC000858115502 1328686985 /nfs/dbraw/zinc/68/69/85/1328686985.db2.gz KWNNCBVXPWBVCD-HNNXBMFYSA-N 0 1 333.382 3.299 10 10 EGCEMN C[C@@H](N[C@@H](CO)c1ccnn1C)c1ccc(N2CCCCCC2)cc1 ZINC000858434181 1328761529 /nfs/dbraw/zinc/76/15/29/1328761529.db2.gz CTEJPOSLCZIOEZ-APWZRJJASA-N 0 1 342.487 3.185 10 10 EGCEMN Cc1cc(C(=O)CN2CCCN(C)CC2)c(C)n1-c1ccc(F)cc1 ZINC000916644995 1319690709 /nfs/dbraw/zinc/69/07/09/1319690709.db2.gz JPDGWMIUSUNXHK-UHFFFAOYSA-N 0 1 343.446 3.053 10 10 EGCEMN C[C@H]([NH2+]C[C@H]1CC2(CO1)CCOCC2)c1cc(Cl)ccc1[O-] ZINC000866530679 1330122176 /nfs/dbraw/zinc/12/21/76/1330122176.db2.gz BHEKDSPEJZHDBO-GXTWGEPZSA-N 0 1 325.836 3.282 10 10 EGCEMN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](N(C)c3ccccc3)C2)c1O ZINC001196505950 1368629367 /nfs/dbraw/zinc/62/93/67/1368629367.db2.gz JVBOOVCLZBNCPE-GOSISDBHSA-N 0 1 342.414 3.445 10 10 EGCEMN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](N(C)c3ccccc3)C2)c1[O-] ZINC001196505950 1368629372 /nfs/dbraw/zinc/62/93/72/1368629372.db2.gz JVBOOVCLZBNCPE-GOSISDBHSA-N 0 1 342.414 3.445 10 10 EGCEMN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](N(C)c3ccccc3)C2)c1[O-] ZINC001196505950 1368629379 /nfs/dbraw/zinc/62/93/79/1368629379.db2.gz JVBOOVCLZBNCPE-GOSISDBHSA-N 0 1 342.414 3.445 10 10 EGCEMN CCOc1ccc(N2CCN(C[C@H]3CCC(C)(C)CO3)CC2)cc1 ZINC001168332571 1383875391 /nfs/dbraw/zinc/87/53/91/1383875391.db2.gz ZLNJRYGHEMONCQ-LJQANCHMSA-N 0 1 332.488 3.413 10 10 EGCEMN COc1ccc(N2CCN(CCOCc3ccccc3)CC2)cc1F ZINC001307572829 1384004687 /nfs/dbraw/zinc/00/46/87/1384004687.db2.gz BHMFQCQQBUMCEM-UHFFFAOYSA-N 0 1 344.430 3.173 10 10 EGCEMN O=C([O-])[C@H](Cc1cnc[nH]1)Nc1c2ccccc2[nH+]c2ccccc21 ZINC000004313809 210167917 /nfs/dbraw/zinc/16/79/17/210167917.db2.gz WEKACGMBIJABEO-KRWDZBQOSA-N 0 1 332.363 3.219 10 10 EGCEMN Cc1cc(C(=O)N2CCCN(C3CC3)CC2)c(C)n1-c1ccccc1 ZINC000061605833 454349306 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CC(C)N(C)C(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000435654800 458180183 /nfs/dbraw/zinc/18/01/83/458180183.db2.gz MDSCXMSZWYIKFU-UHFFFAOYSA-N 0 1 327.472 3.275 10 10 EGCEMN Cc1cc(Cl)cc(C[N@H+]2CCOC3(CCOCC3)CC2)c1O ZINC000372127451 458200422 /nfs/dbraw/zinc/20/04/22/458200422.db2.gz CAUNYLRTKXEDOV-UHFFFAOYSA-N 0 1 325.836 3.126 10 10 EGCEMN [O-]c1ccc(Br)cc1C[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000376493815 458317506 /nfs/dbraw/zinc/31/75/06/458317506.db2.gz XJQWALGGHVUSKN-UHFFFAOYSA-N 0 1 336.233 3.257 10 10 EGCEMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CC3(CC3)C2)C1 ZINC000452270500 458497901 /nfs/dbraw/zinc/49/79/01/458497901.db2.gz BVHQWGOULYVXNO-UHFFFAOYSA-N 0 1 337.467 3.030 10 10 EGCEMN CC[C@H]1CN(Cc2cc(Cl)cc(C)c2O)C[C@]2(CCOC2)O1 ZINC000373484803 458506699 /nfs/dbraw/zinc/50/66/99/458506699.db2.gz YDOYLCVEKJNDPN-RDJZCZTQSA-N 0 1 325.836 3.124 10 10 EGCEMN CC(C)=CCc1c(O)cc2c(c1O)C(=O)c1c(O)cc(C)cc1C2=O ZINC000004098681 560196017 /nfs/dbraw/zinc/19/60/17/560196017.db2.gz WQTDARJAYXTHNU-UHFFFAOYSA-N 0 1 338.359 3.396 10 10 in-vitro EGCEMN Cc1cc(CCNC(=O)[C@@H]2CCCCN2C)c(C)n1-c1ccccc1 ZINC000737780057 574688318 /nfs/dbraw/zinc/68/83/18/574688318.db2.gz PNPCGFBENFYPFN-FQEVSTJZSA-N 0 1 339.483 3.237 10 10 EGCEMN COc1cc(C)cc(CN2CCO[C@@H](Cc3ccccc3)C2)c1O ZINC000182951512 1295087309 /nfs/dbraw/zinc/08/73/09/1295087309.db2.gz XDGFTIBLFJPLEQ-SFHVURJKSA-N 0 1 327.424 3.153 10 10 EGCEMN C[N@@H+]1C[C@H]2CC[C@@H](C1)N2Cc1cc(Cl)cc(Br)c1[O-] ZINC000708215158 1298237684 /nfs/dbraw/zinc/23/76/84/1298237684.db2.gz IJAAFHUJSXRPAM-TXEJJXNPSA-N 0 1 345.668 3.087 10 10 EGCEMN CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N[C@@H](C)c2ccccc2O)c1C ZINC000879651478 1300651751 /nfs/dbraw/zinc/65/17/51/1300651751.db2.gz XMJLZXZOCHNQED-WCQYABFASA-N 0 1 328.412 3.462 10 10 EGCEMN CCN(CC)c1ccc(CN(C)C(=O)c2c[nH]cc3ncnc2-3)cc1 ZINC000895493662 1309368653 /nfs/dbraw/zinc/36/86/53/1309368653.db2.gz OBQAMKGQEKSBAA-UHFFFAOYSA-N 0 1 337.427 3.076 10 10 EGCEMN Cc1cc(Br)c([O-])c(C[N@H+]2CC[C@@H]([C@H]3CCCO3)C2)c1 ZINC000895848475 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Cc1cc([O-])c(C[NH2+]Cc2c(C(F)(F)F)cnn2C)cc1Cl ZINC000862435982 1329486553 /nfs/dbraw/zinc/48/65/53/1329486553.db2.gz RSZQWOXGRXLPCZ-UHFFFAOYSA-N 0 1 333.741 3.396 10 10 EGCEMN CN(C)c1ccc(/C=C\CN2CCc3nc(C4CC4)ncc3C2)cc1 ZINC000862507371 1329492041 /nfs/dbraw/zinc/49/20/41/1329492041.db2.gz BRCKZAVUKZTJQH-ARJAWSKDSA-N 0 1 334.467 3.492 10 10 EGCEMN CCOC(=O)c1cc(CN[C@@H](CC)c2cc(Cl)ccc2O)on1 ZINC000866515304 1330120718 /nfs/dbraw/zinc/12/07/18/1330120718.db2.gz GNXDCZAVFWXQHV-ZDUSSCGKSA-N 0 1 338.791 3.451 10 10 EGCEMN CCOC(=O)c1cc(C[NH2+][C@@H](CC)c2cc(Cl)ccc2[O-])on1 ZINC000866515304 1330120721 /nfs/dbraw/zinc/12/07/21/1330120721.db2.gz GNXDCZAVFWXQHV-ZDUSSCGKSA-N 0 1 338.791 3.451 10 10 EGCEMN COc1ccc(N2CCN(C[C@H]3CCCC(C)(C)O3)CC2)cc1F ZINC001192107447 1367689686 /nfs/dbraw/zinc/68/96/86/1367689686.db2.gz ICABEGVJFDVQDH-MRXNPFEDSA-N 0 1 336.451 3.304 10 10 EGCEMN C[C@H](NCc1cccc2c1OCO2)c1ccc(N2CCOCC2)cc1 ZINC000071831072 454227010 /nfs/dbraw/zinc/22/70/10/454227010.db2.gz DJYXVPWTQNELJF-HNNXBMFYSA-N 0 1 340.423 3.103 10 10 EGCEMN CCOc1ccc(O)c(CNCc2ccn(Cc3ccccc3)n2)c1 ZINC000284218181 455652911 /nfs/dbraw/zinc/65/29/11/455652911.db2.gz ZWDYAHSHPUTSIO-UHFFFAOYSA-N 0 1 337.423 3.326 10 10 EGCEMN CC(C)c1nnc2n1C[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])CC2 ZINC000186293150 455736313 /nfs/dbraw/zinc/73/63/13/455736313.db2.gz DOEOXSWPCYNDFD-WCQYABFASA-N 0 1 334.851 3.426 10 10 EGCEMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CC[C@@H]2C)C1 ZINC000356749349 457148089 /nfs/dbraw/zinc/14/80/89/457148089.db2.gz OTQLCXJKGKVWNI-MAUKXSAKSA-N 0 1 339.483 3.323 10 10 EGCEMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CCCCC2)C1 ZINC000443856101 457816853 /nfs/dbraw/zinc/81/68/53/457816853.db2.gz GQFQHVWPWNXDSR-UHFFFAOYSA-N 0 1 339.483 3.420 10 10 EGCEMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC2CCC2)C1 ZINC000444182404 457864131 /nfs/dbraw/zinc/86/41/31/457864131.db2.gz LNXMZMFUUPHYHN-UHFFFAOYSA-N 0 1 325.456 3.077 10 10 EGCEMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC(C)(C)C)C1 ZINC000435659973 458179276 /nfs/dbraw/zinc/17/92/76/458179276.db2.gz QFLBJWOLDTVQAI-UHFFFAOYSA-N 0 1 327.472 3.323 10 10 EGCEMN CCn1ncc(CN[C@H](CCc2ccccc2)c2ccccc2O)n1 ZINC000527925558 459774041 /nfs/dbraw/zinc/77/40/41/459774041.db2.gz VDINBRUCVMOFFH-LJQANCHMSA-N 0 1 336.439 3.467 10 10 EGCEMN CC1(N2CCOCC2)CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000529664518 459833079 /nfs/dbraw/zinc/83/30/79/459833079.db2.gz PTIOIDUMTAVXRF-UHFFFAOYSA-N 0 1 340.467 3.232 10 10 EGCEMN CCOCC[N@H+](CC)Cc1c([O-])c(C(=O)OC)cc2ccccc21 ZINC000730802004 575022083 /nfs/dbraw/zinc/02/20/83/575022083.db2.gz BZOHUCHNPBIRDT-UHFFFAOYSA-N 0 1 331.412 3.190 10 10 EGCEMN CCOCC[N@@H+](CC)Cc1c([O-])c(C(=O)OC)cc2ccccc21 ZINC000730802004 575022085 /nfs/dbraw/zinc/02/20/85/575022085.db2.gz BZOHUCHNPBIRDT-UHFFFAOYSA-N 0 1 331.412 3.190 10 10 EGCEMN COCc1ccc(CN2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000179530277 1294802177 /nfs/dbraw/zinc/80/21/77/1294802177.db2.gz OOKQBAXDROSXTE-UHFFFAOYSA-N 0 1 326.440 3.164 10 10 EGCEMN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000874108054 1297790670 /nfs/dbraw/zinc/79/06/70/1297790670.db2.gz LGYOMIHNJPKOOZ-IAGOWNOFSA-N 0 1 326.444 3.016 10 10 EGCEMN COC[C@H]1CCCC[N@H+]1Cc1cc(Br)cc(F)c1[O-] ZINC000715783895 1298286667 /nfs/dbraw/zinc/28/66/67/1298286667.db2.gz DTNQOYYDLNNVLJ-GFCCVEGCSA-N 0 1 332.213 3.295 10 10 EGCEMN CC(=O)N1CC[N@@H+](Cc2ccc(F)c(F)c2[O-])CC12CCCCC2 ZINC000876803293 1298995843 /nfs/dbraw/zinc/99/58/43/1298995843.db2.gz DGVLPCTUGISOBK-UHFFFAOYSA-N 0 1 338.398 3.037 10 10 EGCEMN [O-]c1cccc(Br)c1C[NH2+]C[C@@H]1C[C@H]1C1CCOCC1 ZINC000865783557 1329738024 /nfs/dbraw/zinc/73/80/24/1329738024.db2.gz QKXRYDFWGKVWRA-STQMWFEESA-N 0 1 340.261 3.307 10 10 EGCEMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N(C)CCCF)C1 ZINC000895297046 1309274479 /nfs/dbraw/zinc/27/44/79/1309274479.db2.gz JBDJQNRCJKCXNB-UHFFFAOYSA-N 0 1 345.462 3.226 10 10 EGCEMN C[C@@H](N[C@@H]1c2ccccc2CN(C)C1=O)c1ccc(Cl)cc1O ZINC000857877007 1328612768 /nfs/dbraw/zinc/61/27/68/1328612768.db2.gz LDBBYCJQLBFBGV-PIGZYNQJSA-N 0 1 330.815 3.410 10 10 EGCEMN CCC[N@H+](Cc1ccccc1O)C[C@@H](O)CC[C@H](O)c1ccccc1 ZINC000929753632 1328688316 /nfs/dbraw/zinc/68/83/16/1328688316.db2.gz SYOCLHUYDZEXLI-FPOVZHCZSA-N 0 1 343.467 3.479 10 10 EGCEMN COC(=O)c1cc2ccccc2c(C[N@H+](C)C[C@@H]2CCCCO2)c1[O-] ZINC000918736900 1321987890 /nfs/dbraw/zinc/98/78/90/1321987890.db2.gz XSAVLUKUZCMVSI-HNNXBMFYSA-N 0 1 343.423 3.333 10 10 EGCEMN COC(=O)c1cc2ccccc2c(C[N@@H+](C)C[C@@H]2CCCCO2)c1[O-] ZINC000918736900 1321987901 /nfs/dbraw/zinc/98/79/01/1321987901.db2.gz XSAVLUKUZCMVSI-HNNXBMFYSA-N 0 1 343.423 3.333 10 10 EGCEMN C[C@H]([NH2+]CC(C)(C)CS(C)(=O)=O)c1ccc2ccccc2c1[O-] ZINC000926952574 1327792645 /nfs/dbraw/zinc/79/26/45/1327792645.db2.gz BDSKBQIVYVTQFT-ZDUSSCGKSA-N 0 1 335.469 3.267 10 10 EGCEMN [O-]c1cccc(Br)c1C[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000862253262 1329472002 /nfs/dbraw/zinc/47/20/02/1329472002.db2.gz KPJPUXAVTITJBI-OLZOCXBDSA-N 0 1 340.261 3.403 10 10 EGCEMN [O-]c1cccc(Br)c1C[N@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000862253262 1329472003 /nfs/dbraw/zinc/47/20/03/1329472003.db2.gz KPJPUXAVTITJBI-OLZOCXBDSA-N 0 1 340.261 3.403 10 10 EGCEMN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1cc(F)cc(F)c1O ZINC001299477621 1383539109 /nfs/dbraw/zinc/53/91/09/1383539109.db2.gz CLCXSNUMJSZPEP-GFCCVEGCSA-N 0 1 348.393 3.406 10 10 EGCEMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@@H](C)C(F)F)C1 ZINC001353581850 1392043326 /nfs/dbraw/zinc/04/33/26/1392043326.db2.gz PUVMXHLTLIUVNY-ZDUSSCGKSA-N 0 1 349.425 3.178 10 10 EGCEMN CCOc1ccc(O)c(CN(C)Cc2cc(C(=O)OC)c(C)o2)c1 ZINC000122437961 454533585 /nfs/dbraw/zinc/53/35/85/454533585.db2.gz GXQDWTMAZUFZMW-UHFFFAOYSA-N 0 1 333.384 3.111 10 10 EGCEMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000191536024 455494896 /nfs/dbraw/zinc/49/48/96/455494896.db2.gz ONVWGECJGIPZOO-RYUDHWBXSA-N 0 1 341.835 3.454 10 10 EGCEMN CC[C@@H]([NH2+]CCn1cc(C)cn1)c1cc(Br)ccc1[O-] ZINC000156422432 455116765 /nfs/dbraw/zinc/11/67/65/455116765.db2.gz JHZYJKPCYDIATI-CQSZACIVSA-N 0 1 338.249 3.401 10 10 EGCEMN COc1ccc(O)c([C@@H](C)N[C@H](c2n[nH]c(C)n2)c2ccccc2)c1 ZINC000185324479 455540049 /nfs/dbraw/zinc/54/00/49/455540049.db2.gz WYNRMQVZSBUJLS-XIKOKIGWSA-N 0 1 338.411 3.268 10 10 EGCEMN C[C@H]([NH2+][C@H]1Cc2ccccc2[C@@H]1O)c1cc(Br)ccc1[O-] ZINC000185465607 455561675 /nfs/dbraw/zinc/56/16/75/455561675.db2.gz NBSQGBKEOAUEIL-QXKQMHMISA-N 0 1 348.240 3.464 10 10 EGCEMN Cc1cc(C[C@H](C)[NH2+][C@H](C)c2cc(Br)ccc2[O-])[nH]n1 ZINC000186130454 455699368 /nfs/dbraw/zinc/69/93/68/455699368.db2.gz OYIXOTVWKQHLHG-GXSJLCMTSA-N 0 1 338.249 3.468 10 10 EGCEMN C[C@]12CC[N@@H+](Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])C[C@H]1C2(F)F ZINC000292681934 455730335 /nfs/dbraw/zinc/73/03/35/455730335.db2.gz ASOCVBMRLMSLSY-YPMHNXCESA-N 0 1 332.734 3.431 10 10 EGCEMN CN(Cc1cccs1)c1ccc(CNCc2ccnn2C)cc1 ZINC000296561889 455974018 /nfs/dbraw/zinc/97/40/18/455974018.db2.gz VHGLATOARXTEPB-UHFFFAOYSA-N 0 1 326.469 3.408 10 10 EGCEMN C[C@@H]1C[C@]2(CCO1)C[N@H+](Cc1cccc(Cl)c1[O-])C[C@H](C)O2 ZINC000366813510 457901271 /nfs/dbraw/zinc/90/12/71/457901271.db2.gz WNEZAPXYQQVQQA-IIYDPXPESA-N 0 1 325.836 3.204 10 10 EGCEMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H](c3ccncn3)C2)c1[O-] ZINC000365880533 547780709 /nfs/dbraw/zinc/78/07/09/547780709.db2.gz IMEXWFHMGLCWEK-ZDUSSCGKSA-N 0 1 345.830 3.418 10 10 EGCEMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H](c3ccncn3)C2)c1[O-] ZINC000365880533 547780713 /nfs/dbraw/zinc/78/07/13/547780713.db2.gz IMEXWFHMGLCWEK-ZDUSSCGKSA-N 0 1 345.830 3.418 10 10 EGCEMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CC(C)(C)C2)C1 ZINC000684084690 550289336 /nfs/dbraw/zinc/28/93/36/550289336.db2.gz YYZDEQSPPDLIMZ-UHFFFAOYSA-N 0 1 339.483 3.276 10 10 EGCEMN CCOc1ccc(O)c(CN2CCO[C@@]3(CCc4ccccc43)C2)c1 ZINC000093638388 1292927500 /nfs/dbraw/zinc/92/75/00/1292927500.db2.gz HSXRQMCSNMADBT-NRFANRHFSA-N 0 1 339.435 3.465 10 10 EGCEMN O=C([C@H]1CCCCN1Cc1ccccc1)N1Cc2cccc(O)c2C1 ZINC000871203261 1296271153 /nfs/dbraw/zinc/27/11/53/1296271153.db2.gz VMUCGKGAQWWNSX-LJQANCHMSA-N 0 1 336.435 3.289 10 10 EGCEMN Cc1cc(O)c(CNCc2cc(C(F)(F)F)nn2C)c(Cl)c1 ZINC000922713192 1322600680 /nfs/dbraw/zinc/60/06/80/1322600680.db2.gz NXHCXINCJOKTTQ-UHFFFAOYSA-N 0 1 333.741 3.396 10 10 EGCEMN Cc1cc([O-])c(C[NH2+]Cc2cc(C(F)(F)F)nn2C)c(Cl)c1 ZINC000922713192 1322600685 /nfs/dbraw/zinc/60/06/85/1322600685.db2.gz NXHCXINCJOKTTQ-UHFFFAOYSA-N 0 1 333.741 3.396 10 10 EGCEMN CC1(C)[C@H](O)CC[N@H+]1Cc1cc(Cl)cc(Br)c1[O-] ZINC000894813656 1309085086 /nfs/dbraw/zinc/08/50/86/1309085086.db2.gz CCXAQSOAOVKTBV-LLVKDONJSA-N 0 1 334.641 3.153 10 10 EGCEMN C[C@@H]1C[N@@H+](Cc2cc(F)cc(F)c2[O-])CC[C@H](C(F)(F)F)O1 ZINC000895477017 1309358788 /nfs/dbraw/zinc/35/87/88/1309358788.db2.gz PGUMFKYXRBGOBY-PRHODGIISA-N 0 1 325.277 3.212 10 10 EGCEMN [O-]c1cccc(Br)c1C[N@@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000895844126 1309552736 /nfs/dbraw/zinc/55/27/36/1309552736.db2.gz METVVMGFEQVVTF-XHDPSFHLSA-N 0 1 326.234 3.156 10 10 EGCEMN [O-]c1cccc(Br)c1C[N@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000895844126 1309552741 /nfs/dbraw/zinc/55/27/41/1309552741.db2.gz METVVMGFEQVVTF-XHDPSFHLSA-N 0 1 326.234 3.156 10 10 EGCEMN CCN(CC)c1ccc(CN2CC[C@](CO)(C(F)(F)F)C2)cc1F ZINC000895838027 1309547616 /nfs/dbraw/zinc/54/76/16/1309547616.db2.gz ZLTZFOUGDPKLEZ-INIZCTEOSA-N 0 1 348.384 3.419 10 10 EGCEMN [O-]c1c(Br)cccc1C[N@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000895846588 1309556056 /nfs/dbraw/zinc/55/60/56/1309556056.db2.gz QRPGSXJMRRBLFW-BXUZGUMPSA-N 0 1 326.234 3.156 10 10 EGCEMN CN(C)c1ccc(/C=C/CNCc2c(C(F)(F)F)cnn2C)cc1 ZINC000858210443 1328711994 /nfs/dbraw/zinc/71/19/94/1328711994.db2.gz QNSZJCYVJBMOLR-SNAWJCMRSA-N 0 1 338.377 3.308 10 10 EGCEMN Cc1cc(O)c(CNCc2c(C(F)(F)F)cnn2C)c(Cl)c1 ZINC000858211217 1328713018 /nfs/dbraw/zinc/71/30/18/1328713018.db2.gz LMIGRDULHNFLFJ-UHFFFAOYSA-N 0 1 333.741 3.396 10 10 EGCEMN Cc1cc([O-])c(C[NH2+]Cc2c(C(F)(F)F)cnn2C)c(Cl)c1 ZINC000858211217 1328713021 /nfs/dbraw/zinc/71/30/21/1328713021.db2.gz LMIGRDULHNFLFJ-UHFFFAOYSA-N 0 1 333.741 3.396 10 10 EGCEMN Cc1c(CN(Cc2ccccc2O)C[C@@H]2CCCO2)ccnc1F ZINC000862213722 1329466296 /nfs/dbraw/zinc/46/62/96/1329466296.db2.gz UGUIQNMTXMBEDV-KRWDZBQOSA-N 0 1 330.403 3.416 10 10 EGCEMN [O-]c1cccc(Br)c1C[NH+]1CC(C2CCOCC2)C1 ZINC000862355387 1329477291 /nfs/dbraw/zinc/47/72/91/1329477291.db2.gz FGKSMVUREDIHMS-UHFFFAOYSA-N 0 1 326.234 3.013 10 10 EGCEMN CC[C@@H]1CN(Cc2ccc(N3CCCC3)cc2)CCN1CC(F)F ZINC001116444931 1370913742 /nfs/dbraw/zinc/91/37/42/1370913742.db2.gz IDUCLVZAICXHCT-QGZVFWFLSA-N 0 1 337.458 3.448 10 10 EGCEMN CCOC(=O)c1cc(CN[C@@H]2C[C@@H](C)c3c2c(O)ccc3C)on1 ZINC001329375384 1389083091 /nfs/dbraw/zinc/08/30/91/1389083091.db2.gz KYJVRFGYWMPEPH-DGCLKSJQSA-N 0 1 330.384 3.203 10 10 EGCEMN FC(F)(F)[C@@H](CNCc1ccc(N2CCCC2)cc1)n1cccn1 ZINC001331676103 1389853193 /nfs/dbraw/zinc/85/31/93/1389853193.db2.gz MYEHEJMQCPNKCI-MRXNPFEDSA-N 0 1 338.377 3.377 10 10 EGCEMN CCO[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])C12CCOCC2 ZINC000185662888 455591816 /nfs/dbraw/zinc/59/18/16/455591816.db2.gz DKUXZHJTSHWNKA-CVEARBPZSA-N 0 1 325.836 3.109 10 10 EGCEMN CC[C@@H]1CN(Cc2cc(Cl)cc(C)c2O)C[C@@]2(CCOC2)O1 ZINC000373484797 458506781 /nfs/dbraw/zinc/50/67/81/458506781.db2.gz YDOYLCVEKJNDPN-NVXWUHKLSA-N 0 1 325.836 3.124 10 10 EGCEMN CC(=O)c1ccc(OC[C@H]2CN[C@@H](c3ccc(N(C)C)cc3)O2)cc1 ZINC000032722768 453885452 /nfs/dbraw/zinc/88/54/52/453885452.db2.gz RYOFAHLLLJAPSX-WOJBJXKFSA-N 0 1 340.423 3.021 10 10 EGCEMN CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3cc(Cl)cc(Cl)c3[O-])[C@@H]2C1 ZINC000092096330 454520807 /nfs/dbraw/zinc/52/08/07/454520807.db2.gz YRZGREUQBZNRML-YUELXQCFSA-N 0 1 346.254 3.467 10 10 EGCEMN CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3cc(Cl)cc(Cl)c3[O-])[C@@H]2C1 ZINC000092096330 454520810 /nfs/dbraw/zinc/52/08/10/454520810.db2.gz YRZGREUQBZNRML-YUELXQCFSA-N 0 1 346.254 3.467 10 10 EGCEMN Oc1cccc([C@@H]2CN(Cc3c(O)ccc(Cl)c3F)CCO2)c1 ZINC000191371781 455481561 /nfs/dbraw/zinc/48/15/61/455481561.db2.gz AFLXAGGFMXEHOH-INIZCTEOSA-N 0 1 337.778 3.464 10 10 EGCEMN COc1cc(O)c(CN2C[C@@H](c3ccccc3)OC[C@@H]2C)cc1OC ZINC000160117744 455430868 /nfs/dbraw/zinc/43/08/68/455430868.db2.gz LAVQXAUBGOGVMS-XOBRGWDASA-N 0 1 343.423 3.371 10 10 EGCEMN C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@@H]1O)c1ccc(Br)cc1[O-] ZINC000185466519 455562148 /nfs/dbraw/zinc/56/21/48/455562148.db2.gz KWWQKQYLPKUSGX-FGDXXIHYSA-N 0 1 348.240 3.464 10 10 EGCEMN C[C@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1cc(Cl)ccc1[O-] ZINC000185552274 455577165 /nfs/dbraw/zinc/57/71/65/455577165.db2.gz GOPLSVKMTVYZTK-JSGCOSHPSA-N 0 1 334.851 3.099 10 10 EGCEMN c1cc(N2CCCCC2)ccc1CN1CCO[C@@]2(CCCOC2)C1 ZINC000289639664 456134193 /nfs/dbraw/zinc/13/41/93/456134193.db2.gz XMQSCPIJBYMDGU-FQEVSTJZSA-N 0 1 330.472 3.058 10 10 EGCEMN C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000277414940 456817349 /nfs/dbraw/zinc/81/73/49/456817349.db2.gz IPIYQFTWJAVAEF-SWLSCSKDSA-N 0 1 338.423 3.266 10 10 EGCEMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@H](C)C2CC2)C1 ZINC000435615483 458172174 /nfs/dbraw/zinc/17/21/74/458172174.db2.gz JDUQJPQXKKHJMG-OAHLLOKOSA-N 0 1 339.483 3.323 10 10 EGCEMN CC[C@@H](NCc1cnn(CC)n1)c1ccc(C(F)(F)F)cc1O ZINC000527922158 459773531 /nfs/dbraw/zinc/77/35/31/459773531.db2.gz CKTMOJOOYCAGJY-CYBMUJFWSA-N 0 1 328.338 3.263 10 10 EGCEMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC2CC=CC2)C1 ZINC000683446445 550230241 /nfs/dbraw/zinc/23/02/41/550230241.db2.gz BJXJUMGSBHYXSY-UHFFFAOYSA-N 0 1 337.467 3.243 10 10 EGCEMN O=c1ccc2c([nH]1)CCC[C@@H]2[NH2+]Cc1cc(Br)ccc1[O-] ZINC000728782960 574770983 /nfs/dbraw/zinc/77/09/83/574770983.db2.gz VDXXPRJMRBAXBZ-ZDUSSCGKSA-N 0 1 349.228 3.423 10 10 EGCEMN Cc1cc(C)c(O)c(CN(C)Cc2cn(C)nc2C(F)(F)F)c1 ZINC000164541205 1294349826 /nfs/dbraw/zinc/34/98/26/1294349826.db2.gz WTTYWPYUDQKRCT-UHFFFAOYSA-N 0 1 327.350 3.393 10 10 EGCEMN C[N@H+](Cc1cc(Br)cc(F)c1[O-])CC1CCOCC1 ZINC000715735785 1298283949 /nfs/dbraw/zinc/28/39/49/1298283949.db2.gz AYKLFEISGSLQQG-UHFFFAOYSA-N 0 1 332.213 3.152 10 10 EGCEMN COc1ccc(N2CCN(C3CC(OC(C)(C)C)C3)CC2)c(OC)c1 ZINC000879461716 1300550860 /nfs/dbraw/zinc/55/08/60/1300550860.db2.gz HIHBGLMLRLHUCR-UHFFFAOYSA-N 0 1 348.487 3.172 10 10 EGCEMN C[C@@H]1OC[C@]2(CC[C@H](C[NH2+]Cc3cc(Cl)ccc3[O-])O2)[C@H]1C ZINC000886340508 1303442450 /nfs/dbraw/zinc/44/24/50/1303442450.db2.gz HUPZPCOTUBIUIE-ZILJWTLNSA-N 0 1 325.836 3.108 10 10 EGCEMN Cc1cc([O-])c(C[NH2+]C[C@H](O)C(F)(F)C(F)(F)F)cc1Cl ZINC000895676900 1309460618 /nfs/dbraw/zinc/46/06/18/1309460618.db2.gz DULJPTSBCIVCCO-JTQLQIEISA-N 0 1 333.684 3.002 10 10 EGCEMN [O-]c1c(Br)cccc1C[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000895846589 1309554994 /nfs/dbraw/zinc/55/49/94/1309554994.db2.gz QRPGSXJMRRBLFW-FZMZJTMJSA-N 0 1 326.234 3.156 10 10 EGCEMN C[C@@](CO)(NCc1ccc(N2CCCCC2)cc1)c1cccc(O)c1 ZINC000862431875 1329486341 /nfs/dbraw/zinc/48/63/41/1329486341.db2.gz OOUDWZUCWQWCGO-NRFANRHFSA-N 0 1 340.467 3.380 10 10 EGCEMN CCN(CC)c1ccc(CN2CC[C@H]3CC[C@@H](C2)[S@@]3=O)cc1F ZINC000862527537 1329492223 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CC[C@H]([NH2+]CC1(C)OCCCO1)c1cc(Br)ccc1[O-] ZINC000190644363 455358420 /nfs/dbraw/zinc/35/84/20/455358420.db2.gz MNBLEWAGVUKJEQ-ZDUSSCGKSA-N 0 1 344.249 3.349 10 10 EGCEMN Cc1nc2n(n1)CCC[C@@H]2N[C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000186096831 455693615 /nfs/dbraw/zinc/69/36/15/455693615.db2.gz WALQAHQNRZZTQD-SJCJKPOMSA-N 0 1 326.444 3.357 10 10 EGCEMN Cc1cc(CNCc2cc(Cl)cc(C)c2O)nc(N2CCCC2)n1 ZINC000292781187 455755645 /nfs/dbraw/zinc/75/56/45/455755645.db2.gz LKIADLXLTSLJHO-UHFFFAOYSA-N 0 1 346.862 3.342 10 10 EGCEMN CC[C@H]([NH2+][C@@H](C)c1cc(Br)ccc1[O-])[C@@H](O)C(F)F ZINC000296307019 455905119 /nfs/dbraw/zinc/90/51/19/455905119.db2.gz GEKCYGNMJPVNTL-VIRWGQHYSA-N 0 1 338.192 3.210 10 10 EGCEMN CC[C@H]([NH2+][C@@H](C)c1ccc(Br)cc1[O-])[C@H](O)C(F)F ZINC000296563010 455974442 /nfs/dbraw/zinc/97/44/42/455974442.db2.gz SJSPWQSWDOGSJD-JWYUURKGSA-N 0 1 338.192 3.210 10 10 EGCEMN C[C@@H]1C[C@]2(CCO1)CN(Cc1cc(Cl)ccc1O)C[C@H](C)O2 ZINC000366790790 457898890 /nfs/dbraw/zinc/89/88/90/457898890.db2.gz BFGNNARNFBOMLC-IIYDPXPESA-N 0 1 325.836 3.204 10 10 EGCEMN C[C@@H]1C[C@]2(CCO1)C[N@@H+](Cc1cc(Cl)ccc1[O-])C[C@H](C)O2 ZINC000366790790 457898896 /nfs/dbraw/zinc/89/88/96/457898896.db2.gz BFGNNARNFBOMLC-IIYDPXPESA-N 0 1 325.836 3.204 10 10 EGCEMN C[C@@H]1C[C@]2(CCO1)C[N@H+](Cc1cc(Cl)ccc1[O-])C[C@H](C)O2 ZINC000366790790 457898903 /nfs/dbraw/zinc/89/89/03/457898903.db2.gz BFGNNARNFBOMLC-IIYDPXPESA-N 0 1 325.836 3.204 10 10 EGCEMN CN1CCC[C@H](CNC(=O)C2=CC(=O)CS2)[C@@H]1c1cccs1 ZINC000743567313 576812290 /nfs/dbraw/zinc/81/22/90/576812290.db2.gz OUULBIOEZSYBRY-IAQYHMDHSA-N 0 1 336.482 3.328 10 10 EGCEMN C[C@@H]([NH2+]CCC[C@@H]1CCOC1=O)c1cc(Br)ccc1[O-] ZINC000872111308 1296737750 /nfs/dbraw/zinc/73/77/50/1296737750.db2.gz CKZMRROGSIIXGC-GHMZBOCLSA-N 0 1 342.233 3.149 10 10 EGCEMN CCCO[C@@H]1CC[N@@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000715818176 1298289170 /nfs/dbraw/zinc/28/91/70/1298289170.db2.gz MTHOGWFMFCWMIF-GFCCVEGCSA-N 0 1 332.213 3.295 10 10 EGCEMN [O-]c1c(F)cc(Br)cc1C[N@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000895461856 1309350764 /nfs/dbraw/zinc/35/07/64/1309350764.db2.gz PNVPWHZDZKNANP-ONGXEEELSA-N 0 1 346.265 3.479 10 10 EGCEMN [O-]c1c(Br)cccc1C[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000895846590 1309555905 /nfs/dbraw/zinc/55/59/05/1309555905.db2.gz QRPGSXJMRRBLFW-RISCZKNCSA-N 0 1 326.234 3.156 10 10 EGCEMN [O-]c1cc(Br)ccc1C[N@@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000895845959 1309555652 /nfs/dbraw/zinc/55/56/52/1309555652.db2.gz SEAZPUUUXRCABD-IUODEOHRSA-N 0 1 326.234 3.156 10 10 EGCEMN [O-]c1cc(Br)ccc1C[N@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000895845959 1309555661 /nfs/dbraw/zinc/55/56/61/1309555661.db2.gz SEAZPUUUXRCABD-IUODEOHRSA-N 0 1 326.234 3.156 10 10 EGCEMN CCOC(=O)[C@@](C)(NCc1ccc(F)c(F)c1O)c1ccccc1 ZINC000895895646 1309585633 /nfs/dbraw/zinc/58/56/33/1309585633.db2.gz BNXDJFFXCUSUPE-SFHVURJKSA-N 0 1 335.350 3.239 10 10 EGCEMN O=C(NC[C@@H]1CCN1C1CCCC1)c1cc2cc(O)c(O)cc2s1 ZINC000899142274 1310951167 /nfs/dbraw/zinc/95/11/67/1310951167.db2.gz UEZBJRYYCVILHJ-ZDUSSCGKSA-N 0 1 346.452 3.059 10 10 EGCEMN CC[C@H]([NH2+]CC[C@H](O)C(F)F)c1ccc(C(F)(F)F)cc1[O-] ZINC000866442749 1330112834 /nfs/dbraw/zinc/11/28/34/1330112834.db2.gz RJDLEVDSGCOJKG-QWRGUYRKSA-N 0 1 327.293 3.468 10 10 EGCEMN CCOC(=O)c1cc(CN[C@@H]2C[C@@H](C)c3c2c(O)ccc3F)on1 ZINC000866515232 1330120689 /nfs/dbraw/zinc/12/06/89/1330120689.db2.gz DTABZOGOXAGCOZ-BXKDBHETSA-N 0 1 334.347 3.034 10 10 EGCEMN COc1ccc(N(Cc2n[nH]c(C)n2)Cc2ccccc2)cc1OC ZINC001198838397 1369126498 /nfs/dbraw/zinc/12/64/98/1369126498.db2.gz XPARCRNQANAOLN-UHFFFAOYSA-N 0 1 338.411 3.337 10 10 EGCEMN C[C@@H](NC(=O)c1ccc(CN2CCCC2)o1)c1ccc(N(C)C)cc1 ZINC001154668003 1380327758 /nfs/dbraw/zinc/32/77/58/1380327758.db2.gz BFZBJGXEEZFNAO-OAHLLOKOSA-N 0 1 341.455 3.432 10 10 EGCEMN Oc1cc2c(cc1CN1CCN(Cc3ccccc3F)CC1)CCC2 ZINC000022789318 212325155 /nfs/dbraw/zinc/32/51/55/212325155.db2.gz DGOCTIHLWLTNGG-UHFFFAOYSA-N 0 1 340.442 3.338 10 10 EGCEMN COc1ccc(CNCc2ccc(N(C)C)c(F)c2)c(OC)c1OC ZINC000058191477 454169740 /nfs/dbraw/zinc/16/97/40/454169740.db2.gz KQEMEECIXMKFNT-UHFFFAOYSA-N 0 1 348.418 3.207 10 10 EGCEMN CC(C)Oc1ncccc1NCc1ccc(N2CCN(C)CC2)cc1 ZINC000095983568 454250671 /nfs/dbraw/zinc/25/06/71/454250671.db2.gz KDSMWYKPSDWYGU-UHFFFAOYSA-N 0 1 340.471 3.233 10 10 EGCEMN Cc1occc1C(=O)NC1CC[NH+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000093010154 454670538 /nfs/dbraw/zinc/67/05/38/454670538.db2.gz HNWRADCWMOFFLA-UHFFFAOYSA-N 0 1 348.830 3.341 10 10 EGCEMN C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C)c1cc(Cl)ccc1[O-] ZINC000185407506 455556038 /nfs/dbraw/zinc/55/60/38/455556038.db2.gz QASFRFHUNGDPRK-DYVFJYSZSA-N 0 1 346.858 3.396 10 10 EGCEMN C[C@H]([NH2+][C@H](CO)C[C@H](O)C(C)(C)C)c1ccc2ccccc2c1[O-] ZINC000284494031 455695500 /nfs/dbraw/zinc/69/55/00/455695500.db2.gz VKLURMYUMQEFDH-YEWWUXTCSA-N 0 1 331.456 3.354 10 10 EGCEMN Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3cc(Cl)ccc3[O-])C2)n(C)n1 ZINC000278480678 455837799 /nfs/dbraw/zinc/83/77/99/455837799.db2.gz OSPWJZXILRKXMK-DZGCQCFKSA-N 0 1 348.878 3.407 10 10 EGCEMN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000295406939 455847985 /nfs/dbraw/zinc/84/79/85/455847985.db2.gz RGMAVKFJCVJIJC-CMPLNLGQSA-N 0 1 327.705 3.072 10 10 EGCEMN COc1c([O-])c(C[NH2+][C@H]2COc3c2ccc(C)c3C)ccc1[N+](=O)[O-] ZINC000278924796 455852618 /nfs/dbraw/zinc/85/26/18/455852618.db2.gz VIOSDQJFGYTDDO-AWEZNQCLSA-N 0 1 344.367 3.149 10 10 EGCEMN COc1ccc(CN[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)cc1C ZINC000276724486 456561702 /nfs/dbraw/zinc/56/17/02/456561702.db2.gz TXLGHLJNAIXZAL-GOSISDBHSA-N 0 1 342.414 3.033 10 10 EGCEMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2C[C@H](C)[C@H]2C)C1 ZINC000357528063 457580364 /nfs/dbraw/zinc/58/03/64/457580364.db2.gz AEZLDNWVHRJLRS-JKSUJKDBSA-N 0 1 339.483 3.275 10 10 EGCEMN C[C@@H]1C[C@@]2(CCO1)C[N@H+](Cc1cccc(Cl)c1[O-])C[C@H](C)O2 ZINC000366813509 457901173 /nfs/dbraw/zinc/90/11/73/457901173.db2.gz WNEZAPXYQQVQQA-IGCXYCKISA-N 0 1 325.836 3.204 10 10 EGCEMN Cc1cc([O-])c(C[NH+]2CCC(C)(N3CCOCC3)CC2)c(Cl)c1 ZINC000529666337 459833330 /nfs/dbraw/zinc/83/33/30/459833330.db2.gz WWVHJLSRZGPVMO-UHFFFAOYSA-N 0 1 338.879 3.041 10 10 EGCEMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1csc(-c2ccccc2)n1 ZINC000728699096 574767390 /nfs/dbraw/zinc/76/73/90/574767390.db2.gz RKIUCETTXIQZKH-WJDWOHSUSA-N 0 1 347.399 3.272 10 10 EGCEMN Cc1cc(C(=O)NC(C)(C)c2c[nH]nn2)c(C)n1-c1cccc(C)c1 ZINC000734948307 575577984 /nfs/dbraw/zinc/57/79/84/575577984.db2.gz QBGMPIUYIJCQQR-UHFFFAOYSA-N 0 1 337.427 3.186 10 10 EGCEMN CCOc1ccc(O)c(CN2CCO[C@]3(CCc4ccccc43)C2)c1 ZINC000093638387 1292927313 /nfs/dbraw/zinc/92/73/13/1292927313.db2.gz HSXRQMCSNMADBT-OAQYLSRUSA-N 0 1 339.435 3.465 10 10 EGCEMN [O-]c1cccc(Br)c1C[NH2+][C@H]1c2ccccc2CC[C@H]1O ZINC000922989756 1322670583 /nfs/dbraw/zinc/67/05/83/1322670583.db2.gz ZIHBXTQXJUSLDA-SJORKVTESA-N 0 1 348.240 3.293 10 10 EGCEMN COc1c([O-])c(C[NH2+][C@H](c2ccccn2)C2CCC2)ccc1[N+](=O)[O-] ZINC000862478284 1329489597 /nfs/dbraw/zinc/48/95/97/1329489597.db2.gz URMIFHIPYQSLTC-INIZCTEOSA-N 0 1 343.383 3.335 10 10 EGCEMN C[C@H]([NH2+]CCOCC(=O)OC(C)(C)C)c1cc(Cl)ccc1[O-] ZINC000866437248 1330112368 /nfs/dbraw/zinc/11/23/68/1330112368.db2.gz CSCPMKSGAMPWJM-NSHDSACASA-N 0 1 329.824 3.055 10 10 EGCEMN Cc1cc(CNC(=O)CCN2CC[C@@H](F)C2)c(C)n1-c1ccccc1 ZINC001151153956 1379668878 /nfs/dbraw/zinc/66/88/78/1379668878.db2.gz PSHCQKJTIYOOHN-GOSISDBHSA-N 0 1 343.446 3.144 10 10 EGCEMN CCCC[C@@H](CC)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC001288329582 1381780188 /nfs/dbraw/zinc/78/01/88/1381780188.db2.gz CLXRUJRKZIWPTR-GOSISDBHSA-N 0 1 331.504 3.271 10 10 EGCEMN C[C@H](CC1CCCC1)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC001288334826 1381782292 /nfs/dbraw/zinc/78/22/92/1381782292.db2.gz RGYRFOGGGTUQOG-QGZVFWFLSA-N 0 1 343.515 3.271 10 10 EGCEMN O=C(NCc1c(O)ccc2ccccc21)c1cc(O)cc([N+](=O)[O-])c1 ZINC001304090850 1383829212 /nfs/dbraw/zinc/82/92/12/1383829212.db2.gz RIPJBQYRQSMRPO-UHFFFAOYSA-N 0 1 338.319 3.089 10 10 EGCEMN Cc1ccc(-c2ncc[nH]2)cc1NC(=O)c1c(F)ccc(O)c1O ZINC001306837679 1383909134 /nfs/dbraw/zinc/90/91/34/1383909134.db2.gz MUXOCZVWECSFBD-UHFFFAOYSA-N 0 1 327.315 3.188 10 10 EGCEMN CC(=O)c1cc(F)cc(C[NH2+][C@@H](C(C)C)C2(CO)CCCC2)c1[O-] ZINC001307823189 1384037584 /nfs/dbraw/zinc/03/75/84/1384037584.db2.gz JTMITXCCYQLSDN-SFHVURJKSA-N 0 1 337.435 3.401 10 10 EGCEMN CC/C=C\CCN1CC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001699642282 1413022074 /nfs/dbraw/zinc/02/20/74/1413022074.db2.gz MXCFVAYQNWKCMY-FETBWYICSA-N 0 1 343.431 3.009 10 10 EGCEMN CC(C)CCCN1CC(N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001723826072 1424577809 /nfs/dbraw/zinc/57/78/09/1424577809.db2.gz LDIGKRDTFNTZFI-UHFFFAOYSA-N 0 1 345.447 3.041 10 10 EGCEMN OC1CCN(c2ccc(CNCc3ccccc3F)cc2F)CC1 ZINC000071825301 454226366 /nfs/dbraw/zinc/22/63/66/454226366.db2.gz RANJOOJOXBMMEM-UHFFFAOYSA-N 0 1 332.394 3.216 10 10 EGCEMN CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)c2ccc3c(c2)OCCO3)c1[O-] ZINC000181757580 455379647 /nfs/dbraw/zinc/37/96/47/455379647.db2.gz AUJKGSQHCWNNRN-NSHDSACASA-N 0 1 345.370 3.356 10 10 EGCEMN C[C@H]([NH2+][C@H](Cc1ccccc1)C(=O)N(C)C)c1cc(Cl)ccc1[O-] ZINC000185407528 455555793 /nfs/dbraw/zinc/55/57/93/455555793.db2.gz QASFRFHUNGDPRK-SUMWQHHRSA-N 0 1 346.858 3.396 10 10 EGCEMN CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3cc(Cl)cc(Cl)c3[O-])[C@H]2C1 ZINC000247283643 455582644 /nfs/dbraw/zinc/58/26/44/455582644.db2.gz YRZGREUQBZNRML-SNPRPXQTSA-N 0 1 346.254 3.467 10 10 EGCEMN CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3cc(Cl)cc(Cl)c3[O-])[C@H]2C1 ZINC000247283643 455582645 /nfs/dbraw/zinc/58/26/45/455582645.db2.gz YRZGREUQBZNRML-SNPRPXQTSA-N 0 1 346.254 3.467 10 10 EGCEMN CC(C)c1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cc(Cl)ccc1[O-])CC2 ZINC000185996522 455670505 /nfs/dbraw/zinc/67/05/05/455670505.db2.gz HJGJXBFUEMSCGN-DGCLKSJQSA-N 0 1 334.851 3.426 10 10 EGCEMN COc1c([O-])c(C[N@@H+]2CC[C@@H](C(F)(F)F)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000294980156 455834134 /nfs/dbraw/zinc/83/41/34/455834134.db2.gz JSLPJXZKWNXJME-GXSJLCMTSA-N 0 1 348.321 3.472 10 10 EGCEMN COc1c([O-])c(C[N@H+]2CC[C@@H](C(F)(F)F)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000294980156 455834138 /nfs/dbraw/zinc/83/41/38/455834138.db2.gz JSLPJXZKWNXJME-GXSJLCMTSA-N 0 1 348.321 3.472 10 10 EGCEMN Cc1cc(Cl)cc(CN2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)c1O ZINC000280596126 456008820 /nfs/dbraw/zinc/00/88/20/456008820.db2.gz XVMAOULKMBTOJM-AHIWAGSCSA-N 0 1 325.836 3.122 10 10 EGCEMN C[C@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1cc(Cl)ccc1[O-] ZINC000872118763 1296744017 /nfs/dbraw/zinc/74/40/17/1296744017.db2.gz HXLJRQHDOIJEHS-CRMUJIHISA-N 0 1 343.876 3.052 10 10 EGCEMN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](c3nc(C)cs3)C2)c1[O-] ZINC000880007439 1300846157 /nfs/dbraw/zinc/84/61/57/1300846157.db2.gz HOPVZFFAGPQBKE-LBPRGKRZSA-N 0 1 334.416 3.488 10 10 EGCEMN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](c3nc(C)cs3)C2)c1[O-] ZINC000880007439 1300846166 /nfs/dbraw/zinc/84/61/66/1300846166.db2.gz HOPVZFFAGPQBKE-LBPRGKRZSA-N 0 1 334.416 3.488 10 10 EGCEMN CCN(Cc1c2c(nn1C)CCSC2)Cc1ccc(N(C)C)cc1 ZINC000893871261 1306106761 /nfs/dbraw/zinc/10/67/61/1306106761.db2.gz HRWXNVFDSKLTRY-UHFFFAOYSA-N 0 1 344.528 3.298 10 10 EGCEMN C[C@@H]1C[C@]2(CC[C@@H](C[NH2+]Cc3ccc4ccccc4c3[O-])O2)CO1 ZINC000895818070 1309533608 /nfs/dbraw/zinc/53/36/08/1309533608.db2.gz BLJZGUVDDIXFOE-CFLQYTFWSA-N 0 1 327.424 3.362 10 10 EGCEMN COc1ccc(N2CCN(CCSc3ccncc3)CC2)cc1 ZINC000929153138 1328525778 /nfs/dbraw/zinc/52/57/78/1328525778.db2.gz QNYDSIHADUIEBQ-UHFFFAOYSA-N 0 1 329.469 3.005 10 10 EGCEMN C[C@H]([NH2+][C@@H]1CO[C@H](C2CC2)C1)c1ccc(Br)cc1[O-] ZINC000858548633 1328792815 /nfs/dbraw/zinc/79/28/15/1328792815.db2.gz WITPVPAPXZXRCC-FMSQNYNMSA-N 0 1 326.234 3.373 10 10 EGCEMN [O-]c1cccc(Br)c1C[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000862252985 1329471977 /nfs/dbraw/zinc/47/19/77/1329471977.db2.gz YZKLRMJVCKOWIA-RISCZKNCSA-N 0 1 326.234 3.156 10 10 EGCEMN [O-]c1cccc(Br)c1C[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000862252985 1329471978 /nfs/dbraw/zinc/47/19/78/1329471978.db2.gz YZKLRMJVCKOWIA-RISCZKNCSA-N 0 1 326.234 3.156 10 10 EGCEMN [O-]c1cccc(Br)c1C[NH2+]CCc1cnc(C2CC2)nc1 ZINC001329965335 1389274539 /nfs/dbraw/zinc/27/45/39/1389274539.db2.gz HMYHCDNSQKJCBU-UHFFFAOYSA-N 0 1 348.244 3.154 10 10 EGCEMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@H](C)C(F)F)C1 ZINC001353581847 1392043585 /nfs/dbraw/zinc/04/35/85/1392043585.db2.gz PUVMXHLTLIUVNY-CYBMUJFWSA-N 0 1 349.425 3.178 10 10 EGCEMN OCc1ccc(F)c(CN(Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000528420492 313089323 /nfs/dbraw/zinc/08/93/23/313089323.db2.gz VKKBASBEDHPICR-SFHVURJKSA-N 0 1 345.414 3.205 10 10 EGCEMN O=C1C[C@H](c2ccccc2)[N@@H+](Cc2cccc(Cl)c2[O-])CCN1 ZINC000179784288 455078641 /nfs/dbraw/zinc/07/86/41/455078641.db2.gz OBTIOBBULXRALS-MRXNPFEDSA-N 0 1 330.815 3.109 10 10 EGCEMN CCc1noc(C)c1CN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000293735102 455795677 /nfs/dbraw/zinc/79/56/77/455795677.db2.gz OSTJSNJCCLPQCG-ZDUSSCGKSA-N 0 1 347.434 3.372 10 10 EGCEMN COC(=O)c1ccc(CN(Cc2ccc(N(C)C)cc2)C2CC2)nc1 ZINC000285940520 455946217 /nfs/dbraw/zinc/94/62/17/455946217.db2.gz JMBCFGIVYURDAD-UHFFFAOYSA-N 0 1 339.439 3.099 10 10 EGCEMN Cc1cc(Cl)cc(CN2C[C@]3(CCOC3)OC(C)(C)C2)c1O ZINC000280325322 455947297 /nfs/dbraw/zinc/94/72/97/455947297.db2.gz QPRDZKXRHPMALT-KRWDZBQOSA-N 0 1 325.836 3.124 10 10 EGCEMN CC[C@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)c1cc(Br)ccc1[O-] ZINC000367701708 457974487 /nfs/dbraw/zinc/97/44/87/457974487.db2.gz BQHIBPXDQZSYFU-FQUUOJAGSA-N 0 1 326.234 3.088 10 10 EGCEMN CC(C)=CCNC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000436015675 458236915 /nfs/dbraw/zinc/23/69/15/458236915.db2.gz IASNATCJUOWGBI-UHFFFAOYSA-N 0 1 339.483 3.490 10 10 EGCEMN CN1CCC[C@@H](CNC(=O)C2=CC(=O)CS2)[C@H]1c1cccs1 ZINC000743567314 576812335 /nfs/dbraw/zinc/81/23/35/576812335.db2.gz OUULBIOEZSYBRY-NHYWBVRUSA-N 0 1 336.482 3.328 10 10 EGCEMN Nc1cccc2c1CCN(Cc1cc(Br)ccc1O)C2 ZINC000236366701 1296190029 /nfs/dbraw/zinc/19/00/29/1296190029.db2.gz NSTWSTONIVMFLV-UHFFFAOYSA-N 0 1 333.229 3.295 10 10 EGCEMN Cc1cc(O)c(C[N@H+]2C[C@H](C(N)=O)[C@@H](c3ccccc3)C2)c(Cl)c1 ZINC000895005150 1309151062 /nfs/dbraw/zinc/15/10/62/1309151062.db2.gz MIZIZNVOJTWGKB-CABCVRRESA-N 0 1 344.842 3.055 10 10 EGCEMN Cc1cc([O-])c(C[N@@H+]2C[C@H](C(N)=O)[C@@H](c3ccccc3)C2)c(Cl)c1 ZINC000895005150 1309151070 /nfs/dbraw/zinc/15/10/70/1309151070.db2.gz MIZIZNVOJTWGKB-CABCVRRESA-N 0 1 344.842 3.055 10 10 EGCEMN Cc1cc([O-])c(C[N@H+]2C[C@H](C(N)=O)[C@@H](c3ccccc3)C2)c(Cl)c1 ZINC000895005150 1309151078 /nfs/dbraw/zinc/15/10/78/1309151078.db2.gz MIZIZNVOJTWGKB-CABCVRRESA-N 0 1 344.842 3.055 10 10 EGCEMN CC(C)OC(=O)C1CCN(C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000895828108 1309541060 /nfs/dbraw/zinc/54/10/60/1309541060.db2.gz JUNAOCARQYEEHK-WAYWQWQTSA-N 0 1 330.472 3.429 10 10 EGCEMN C[C@H]1CN(c2ccc(CNCc3ccnc(F)c3)cc2F)C[C@H](C)O1 ZINC000858100460 1328681736 /nfs/dbraw/zinc/68/17/36/1328681736.db2.gz HSNDSQKSKAWVBQ-KBPBESRZSA-N 0 1 347.409 3.263 10 10 EGCEMN C[C@@H](N[C@H](CO)c1ccnn1C)c1ccc(N2CCCCCC2)cc1 ZINC000858434184 1328761725 /nfs/dbraw/zinc/76/17/25/1328761725.db2.gz CTEJPOSLCZIOEZ-VQIMIIECSA-N 0 1 342.487 3.185 10 10 EGCEMN CCO[C@@]1(C)C[C@H]1N[C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000858502516 1328781865 /nfs/dbraw/zinc/78/18/65/1328781865.db2.gz MCUMBYCENMZARB-VHSSKADRSA-N 0 1 338.879 3.395 10 10 EGCEMN CCN(CC)[C@H](CNC(=O)NCc1c(O)cccc1F)c1ccco1 ZINC000915077716 1319418675 /nfs/dbraw/zinc/41/86/75/1319418675.db2.gz BXYRGPCYPFFPEO-OAHLLOKOSA-N 0 1 349.406 3.007 10 10 EGCEMN [O-]c1cccc(Br)c1C[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000862253264 1329472066 /nfs/dbraw/zinc/47/20/66/1329472066.db2.gz KPJPUXAVTITJBI-QWHCGFSZSA-N 0 1 340.261 3.403 10 10 EGCEMN [O-]c1cccc(Br)c1C[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000862253264 1329472068 /nfs/dbraw/zinc/47/20/68/1329472068.db2.gz KPJPUXAVTITJBI-QWHCGFSZSA-N 0 1 340.261 3.403 10 10 EGCEMN CCOC(=O)/C=C\C[N@H+](CC)Cc1cc(Br)ccc1[O-] ZINC001191269812 1367464185 /nfs/dbraw/zinc/46/41/85/1367464185.db2.gz XDIVRURYARWXNG-WAYWQWQTSA-N 0 1 342.233 3.096 10 10 EGCEMN CCOC(=O)/C=C\C[N@@H+](CC)Cc1cc(Br)ccc1[O-] ZINC001191269812 1367464189 /nfs/dbraw/zinc/46/41/89/1367464189.db2.gz XDIVRURYARWXNG-WAYWQWQTSA-N 0 1 342.233 3.096 10 10 EGCEMN CN(C)c1ccc(CNC(=O)c2ccc(CN3CCCC3)o2)cc1F ZINC001142566007 1378460276 /nfs/dbraw/zinc/46/02/76/1378460276.db2.gz SIPDMMNPVUBTEG-UHFFFAOYSA-N 0 1 345.418 3.011 10 10 EGCEMN [O-]c1cc(Br)ccc1C[NH2+][C@H](C1CC1)C1CCOCC1 ZINC001327839592 1388603932 /nfs/dbraw/zinc/60/39/32/1388603932.db2.gz IELOFLLHKCRPOI-MRXNPFEDSA-N 0 1 340.261 3.450 10 10 EGCEMN Cc1cc(Br)c([O-])c(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3O)c1 ZINC001320092166 1386506548 /nfs/dbraw/zinc/50/65/48/1386506548.db2.gz DJLWOVALIBELNJ-ODOQXGPZSA-N 0 1 340.261 3.056 10 10 EGCEMN CO[C@H]1CC[C@@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC001342429537 1390611754 /nfs/dbraw/zinc/61/17/54/1390611754.db2.gz HNWIMSCRYXEVFB-MNOVXSKESA-N 0 1 333.215 3.066 10 10 EGCEMN CN(C)c1ccc([C@H](CNC(=O)c2cccs2)N2CCCC2)cc1 ZINC000005098004 210390282 /nfs/dbraw/zinc/39/02/82/210390282.db2.gz CMNZQIUFQIOUKC-KRWDZBQOSA-N 0 1 343.496 3.381 10 10 EGCEMN COc1c([O-])c(C[N@@H+]2CCCC[C@@H]2c2cccn2C)ccc1[N+](=O)[O-] ZINC000278210001 455787691 /nfs/dbraw/zinc/78/76/91/455787691.db2.gz KFFJSXCWXFPDLQ-OAHLLOKOSA-N 0 1 345.399 3.375 10 10 EGCEMN COc1c([O-])c(C[N@H+]2CCCC[C@@H]2c2cccn2C)ccc1[N+](=O)[O-] ZINC000278210001 455787694 /nfs/dbraw/zinc/78/76/94/455787694.db2.gz KFFJSXCWXFPDLQ-OAHLLOKOSA-N 0 1 345.399 3.375 10 10 EGCEMN C[C@H]([NH2+][C@@H]1C[C@H]2OCCC[C@H]12)c1cc(Br)ccc1[O-] ZINC000187284976 455890482 /nfs/dbraw/zinc/89/04/82/455890482.db2.gz CTLIXVNQHIQNRT-AGNJHWRGSA-N 0 1 326.234 3.373 10 10 EGCEMN Cn1nccc1C1=CCN(Cc2cc(Br)ccc2O)CC1 ZINC000289320753 456122193 /nfs/dbraw/zinc/12/21/93/456122193.db2.gz FQQLTUCFSCUYHF-UHFFFAOYSA-N 0 1 348.244 3.178 10 10 EGCEMN c1cc(N2CCCCC2)ccc1CN1CCO[C@]2(CCCOC2)C1 ZINC000289639667 456133388 /nfs/dbraw/zinc/13/33/88/456133388.db2.gz XMQSCPIJBYMDGU-HXUWFJFHSA-N 0 1 330.472 3.058 10 10 EGCEMN Cc1cc(Cl)cc(CN2C[C@H](C)O[C@]3(CCCOC3)C2)c1O ZINC000373634859 458559816 /nfs/dbraw/zinc/55/98/16/458559816.db2.gz GEFSISIJAOKJIM-SUMWQHHRSA-N 0 1 325.836 3.124 10 10 EGCEMN [O-]c1cc(Br)ccc1C[NH2+]C[C@@H]1CCN1C1CCCC1 ZINC000529668911 459833196 /nfs/dbraw/zinc/83/31/96/459833196.db2.gz JCFVLWUQYMCNPF-HNNXBMFYSA-N 0 1 339.277 3.261 10 10 EGCEMN C[C@@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1cc(Cl)ccc1[O-] ZINC000872118764 1296744415 /nfs/dbraw/zinc/74/44/15/1296744415.db2.gz HXLJRQHDOIJEHS-WDFAYWTNSA-N 0 1 343.876 3.052 10 10 EGCEMN COC[C@H]1CCC[N@H+]1Cc1cc(Cl)cc(Br)c1[O-] ZINC000708076153 1298233964 /nfs/dbraw/zinc/23/39/64/1298233964.db2.gz SVUVDOKKCTVGMY-LLVKDONJSA-N 0 1 334.641 3.419 10 10 EGCEMN Oc1c(Br)cccc1CN1CCc2nc[nH]c2C12CCC2 ZINC000895068311 1309176661 /nfs/dbraw/zinc/17/66/61/1309176661.db2.gz SVHFAALEDDTTBP-UHFFFAOYSA-N 0 1 348.244 3.315 10 10 EGCEMN [O-]c1cc(Br)ccc1C[NH2+]CC1(C2(O)CCC2)CCC1 ZINC000895868959 1309572162 /nfs/dbraw/zinc/57/21/62/1309572162.db2.gz SOYQJEHMUBEVPV-UHFFFAOYSA-N 0 1 340.261 3.330 10 10 EGCEMN Cc1cn(C(C)(C)C(=O)NCc2cc(Cl)cc(Cl)c2O)cn1 ZINC000897770276 1310461704 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Cc1noc(C)c1CO[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000370740306 457710216 /nfs/dbraw/zinc/71/02/16/457710216.db2.gz RXDRPAVTCXQOQI-OAHLLOKOSA-N 0 1 336.819 3.442 10 10 EGCEMN CC[C@@H]1C[C@H]1NC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000438087362 458529118 /nfs/dbraw/zinc/52/91/18/458529118.db2.gz XHQLSOMGQPFWFS-CRAIPNDOSA-N 0 1 339.483 3.323 10 10 EGCEMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCC(C)(F)F)C1 ZINC000647261680 461597270 /nfs/dbraw/zinc/59/72/70/461597270.db2.gz CYGYRWQIRJGJJA-UHFFFAOYSA-N 0 1 349.425 3.179 10 10 EGCEMN COC[C@@H]1CCN(CC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)C1 ZINC000739923199 576520400 /nfs/dbraw/zinc/52/04/00/576520400.db2.gz UKJMOQNFNMSMIP-MRXNPFEDSA-N 0 1 344.430 3.384 10 10 EGCEMN COc1cc(CN(C)Cc2cn(C)nc2C(F)(F)F)c(O)cc1C ZINC000160466324 1294268730 /nfs/dbraw/zinc/26/87/30/1294268730.db2.gz PMYXKNGFLOAQHI-UHFFFAOYSA-N 0 1 343.349 3.094 10 10 EGCEMN [O-]c1c(Br)cc(Cl)cc1C[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000708076626 1298232661 /nfs/dbraw/zinc/23/26/61/1298232661.db2.gz 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CC[C@@H]([NH2+]CC1(N)CCOCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000863541868 1329561990 /nfs/dbraw/zinc/56/19/90/1329561990.db2.gz QGHNMPIEIBYPFK-GFCCVEGCSA-N 0 1 333.259 3.248 10 10 EGCEMN OC[C@H](NCc1ccc2c(c1)CCO2)c1cccc(C(F)(F)F)c1 ZINC000865654623 1329725727 /nfs/dbraw/zinc/72/57/27/1329725727.db2.gz SNJMVQDYXUZBQK-INIZCTEOSA-N 0 1 337.341 3.464 10 10 EGCEMN C[NH+]1CCN(c2ccc(C[NH2+][C@@H](CF)c3ccc(F)cc3)cc2)CC1 ZINC000865823029 1329742417 /nfs/dbraw/zinc/74/24/17/1329742417.db2.gz QVFOCAQEADVBOR-FQEVSTJZSA-N 0 1 345.437 3.378 10 10 EGCEMN C[C@H]1C[C@H]1c1noc(C(=O)NCc2cc(Cl)cc(Cl)c2O)n1 ZINC000865998123 1329757933 /nfs/dbraw/zinc/75/79/33/1329757933.db2.gz WCVQHUVTQCQSSZ-IMTBSYHQSA-N 0 1 342.182 3.135 10 10 EGCEMN CCOC(=O)c1cc(CN[C@H](C)c2cc(Cl)cc(C)c2O)on1 ZINC000866517196 1330120864 /nfs/dbraw/zinc/12/08/64/1330120864.db2.gz YDCMIVSPQJFQHU-SNVBAGLBSA-N 0 1 338.791 3.370 10 10 EGCEMN CCCC[C@H](CC)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC001288329583 1381780465 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COC1CCN(c2ccc(CN3CCC[C@@H]3c3cc[nH]n3)cc2)CC1 ZINC000295913159 455863140 /nfs/dbraw/zinc/86/31/40/455863140.db2.gz FUXYXMXRMXVZEK-HXUWFJFHSA-N 0 1 340.471 3.362 10 10 EGCEMN CC[C@H]([NH2+][C@H](C)c1ccc(Br)cc1[O-])[C@H](O)C(F)F ZINC000296563013 455974852 /nfs/dbraw/zinc/97/48/52/455974852.db2.gz SJSPWQSWDOGSJD-VHRDEZTHSA-N 0 1 338.192 3.210 10 10 EGCEMN O=c1[nH]n2c([nH]c3c(c2=O)CCC3)c1N=Nc1cccc(Cl)c1 ZINC000334159032 456307115 /nfs/dbraw/zinc/30/71/15/456307115.db2.gz QXEIKYKOOSHBSW-UHFFFAOYSA-N 0 1 329.747 3.286 10 10 EGCEMN CC(=O)c1cc(F)cc(C[NH2+][C@@H]2CCN(C)[C@@H]2c2ccccc2)c1[O-] ZINC000375063148 457776147 /nfs/dbraw/zinc/77/61/47/457776147.db2.gz CKRGRMASQOLXCD-RTBURBONSA-N 0 1 342.414 3.269 10 10 EGCEMN C[C@@H]1C[C@@]2(CCO1)CN(Cc1ccc(N(C)C)c(F)c1)C[C@H](C)O2 ZINC000366790429 457899669 /nfs/dbraw/zinc/89/96/69/457899669.db2.gz ARQYQECWQHVOEE-VCBZYWHSSA-N 0 1 336.451 3.050 10 10 EGCEMN Cc1cc(Br)cc(C[N@H+]2CCC23CCOCC3)c1O ZINC000375735182 458042620 /nfs/dbraw/zinc/04/26/20/458042620.db2.gz XOJGQINXPDBXHV-UHFFFAOYSA-N 0 1 326.234 3.218 10 10 EGCEMN O=S(=O)(Nc1ccc(O)c(F)c1)c1ccccc1Br ZINC000085200982 1292719066 /nfs/dbraw/zinc/71/90/66/1292719066.db2.gz NANGSXYBEZVJSI-UHFFFAOYSA-N 0 1 346.177 3.095 10 10 EGCEMN O=C([C@@H]1CCCCN1Cc1ccccc1)N1Cc2cccc(O)c2C1 ZINC000871203260 1296271968 /nfs/dbraw/zinc/27/19/68/1296271968.db2.gz VMUCGKGAQWWNSX-IBGZPJMESA-N 0 1 336.435 3.289 10 10 EGCEMN C[C@@H]1[C@H](C)OC[C@]12CC[C@@H](C[NH2+]Cc1cc(Cl)ccc1[O-])O2 ZINC000886340506 1303442312 /nfs/dbraw/zinc/44/23/12/1303442312.db2.gz HUPZPCOTUBIUIE-PZNPJNSTSA-N 0 1 325.836 3.108 10 10 EGCEMN [O-]c1c(F)cc(F)cc1C[N@@H+]1CCC[C@@](CO)(c2ccccc2)C1 ZINC000894677357 1309018369 /nfs/dbraw/zinc/01/83/69/1309018369.db2.gz ZMUJRCGZNZMVFK-LJQANCHMSA-N 0 1 333.378 3.197 10 10 EGCEMN [O-]c1cc(Br)ccc1C[N@@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000895845960 1309555797 /nfs/dbraw/zinc/55/57/97/1309555797.db2.gz SEAZPUUUXRCABD-SWLSCSKDSA-N 0 1 326.234 3.156 10 10 EGCEMN [O-]c1cc(Br)ccc1C[N@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000895845960 1309555799 /nfs/dbraw/zinc/55/57/99/1309555799.db2.gz SEAZPUUUXRCABD-SWLSCSKDSA-N 0 1 326.234 3.156 10 10 EGCEMN [O-]c1cccc(Br)c1C[NH2+]CC1(C2(O)CCC2)CCC1 ZINC000895869414 1309571787 /nfs/dbraw/zinc/57/17/87/1309571787.db2.gz YEVZFUOTDSCREW-UHFFFAOYSA-N 0 1 340.261 3.330 10 10 EGCEMN C[C@H](N[C@@H]1c2ccccc2CN(C)C1=O)c1ccc(Cl)cc1O ZINC000857877004 1328612999 /nfs/dbraw/zinc/61/29/99/1328612999.db2.gz LDBBYCJQLBFBGV-APPDUMDISA-N 0 1 330.815 3.410 10 10 EGCEMN COc1ccc(N2CCN(CCSc3ccncc3)CC2)cc1F ZINC000929824542 1328711874 /nfs/dbraw/zinc/71/18/74/1328711874.db2.gz WSTBOEUXZAGXSI-UHFFFAOYSA-N 0 1 347.459 3.144 10 10 EGCEMN COC(=O)C1=CC[C@@H]([NH2+][C@H](C)c2ccc(Br)cc2[O-])C1 ZINC000858473504 1328771027 /nfs/dbraw/zinc/77/10/27/1328771027.db2.gz OXKBMHUEEIFTKX-BXKDBHETSA-N 0 1 340.217 3.067 10 10 EGCEMN C[C@H]([NH2+][C@H]1CO[C@@H](C2CC2)C1)c1cc(Br)ccc1[O-] ZINC000858548942 1328792744 /nfs/dbraw/zinc/79/27/44/1328792744.db2.gz XOBIMQKRLPWXOU-TURKWSHLSA-N 0 1 326.234 3.373 10 10 EGCEMN Oc1ccccc1CN(CCOC1CCOCC1)Cc1ccco1 ZINC000859190328 1328941001 /nfs/dbraw/zinc/94/10/01/1328941001.db2.gz JSHXEVMFBDBMRK-UHFFFAOYSA-N 0 1 331.412 3.183 10 10 EGCEMN [O-]c1cccc(Br)c1C[NH2+]C1([C@@H]2CCCCO2)CC1 ZINC000923027848 1322677916 /nfs/dbraw/zinc/67/79/16/1322677916.db2.gz JUBNFXLGTUBRQR-AWEZNQCLSA-N 0 1 326.234 3.346 10 10 EGCEMN C[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)O1)c1cc(Cl)ccc1[O-] ZINC000927017993 1327822290 /nfs/dbraw/zinc/82/22/90/1327822290.db2.gz XJVCAYMZQMHXQA-GXTWGEPZSA-N 0 1 325.836 3.424 10 10 EGCEMN CN1CC[C@H]([NH2+]Cc2cccc(Br)c2[O-])CC1(C)C ZINC000862348423 1329476231 /nfs/dbraw/zinc/47/62/31/1329476231.db2.gz MWFBCXNGMPGEJJ-LBPRGKRZSA-N 0 1 327.266 3.117 10 10 EGCEMN Cc1cc(Br)cc(C[N@H+]2C[C@@H]3CCC[C@]3(CO)C2)c1O ZINC000862529279 1329492491 /nfs/dbraw/zinc/49/24/91/1329492491.db2.gz QWLMDWUSFPSQQM-XJKSGUPXSA-N 0 1 340.261 3.058 10 10 EGCEMN CC[C@H]([NH2+]CC1(N)CCOCC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000863542546 1329561974 /nfs/dbraw/zinc/56/19/74/1329561974.db2.gz WNICPKVWOYOTBG-ZDUSSCGKSA-N 0 1 333.259 3.248 10 10 EGCEMN O=C(c1cc(C(F)F)[nH]n1)N(Cc1ccco1)Cc1ccccc1O ZINC001137343467 1377526324 /nfs/dbraw/zinc/52/63/24/1377526324.db2.gz QQKQQTKZNQRWGK-UHFFFAOYSA-N 0 1 347.321 3.489 10 10 EGCEMN Cc1cc(CNC(=O)[C@@H]2CCCN2C)c(C)n1-c1cccc(C)c1 ZINC001151152923 1379668813 /nfs/dbraw/zinc/66/88/13/1379668813.db2.gz GNHPNLVHHXNJQO-IBGZPJMESA-N 0 1 325.456 3.113 10 10 EGCEMN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H]2[C@H](O)c2ccccc2)c1[O-] ZINC001307986846 1384068455 /nfs/dbraw/zinc/06/84/55/1384068455.db2.gz DBGWMFDVBNWADQ-AZUAARDMSA-N 0 1 343.398 3.432 10 10 EGCEMN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H]2[C@H](O)c2ccccc2)c1[O-] ZINC001307986846 1384068462 /nfs/dbraw/zinc/06/84/62/1384068462.db2.gz DBGWMFDVBNWADQ-AZUAARDMSA-N 0 1 343.398 3.432 10 10 EGCEMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1Cc2cccnc2C1 ZINC001347067807 1390998193 /nfs/dbraw/zinc/99/81/93/1390998193.db2.gz WTHSHHAPLXTTOF-JTQLQIEISA-N 0 1 337.206 3.125 10 10 EGCEMN