smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Oc1ccccc1C[N@H+](Cc1nnnn1C1CC1)C1CCCCC1 ZINC000069350922 454097324 /nfs/dbraw/zinc/09/73/24/454097324.db2.gz WEGUTJFWFCURTL-UHFFFAOYSA-N 1 1 327.432 3.049 10 10 EGCEMO Oc1ccccc1C[N@@H+](Cc1nnnn1C1CC1)C1CCCCC1 ZINC000069350922 454097326 /nfs/dbraw/zinc/09/73/26/454097326.db2.gz WEGUTJFWFCURTL-UHFFFAOYSA-N 1 1 327.432 3.049 10 10 EGCEMO COc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2Cn2ccnc2C)c1O ZINC000184700961 455431710 /nfs/dbraw/zinc/43/17/10/455431710.db2.gz CVTGDKBZTKGMLQ-OAHLLOKOSA-N 1 1 335.835 3.224 10 10 EGCEMO Cc1nc(C)n(C[C@@H]2CCC[N@@H+](Cc3cc(C)c(C)cc3O)C2)n1 ZINC000152713262 454716550 /nfs/dbraw/zinc/71/65/50/454716550.db2.gz MUDYRZAEHZIGIA-QGZVFWFLSA-N 1 1 328.460 3.130 10 10 EGCEMO CCCOc1ccc(C[N@H+]2CC[C@@H](Oc3cccnc3)C2)c(O)c1 ZINC000093691500 454729783 /nfs/dbraw/zinc/72/97/83/454729783.db2.gz WOYCEAPVPHCUSE-GOSISDBHSA-N 1 1 328.412 3.229 10 10 EGCEMO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3c(O)ccc4ccccc43)[C@@H]2C1 ZINC000165265772 454897220 /nfs/dbraw/zinc/89/72/20/454897220.db2.gz IXAXDSVPEJAQSJ-XFQXTVEOSA-N 1 1 327.424 3.314 10 10 EGCEMO CCNC(=O)N1CC[C@H]([NH2+][C@H](C)c2cc(Cl)c(Cl)cc2O)C1 ZINC000193022197 455735859 /nfs/dbraw/zinc/73/58/59/455735859.db2.gz DCADCNZHTNNAGE-ZJUUUORDSA-N 1 1 346.258 3.153 10 10 EGCEMO CC[C@H]([NH2+]Cc1cccc(N2CCOCC2)n1)c1ccc(F)cc1O ZINC000287355648 456067246 /nfs/dbraw/zinc/06/72/46/456067246.db2.gz HAYFPXAKLQEWRH-KRWDZBQOSA-N 1 1 345.418 3.004 10 10 EGCEMO COc1cccc(C[N@@H+](C)[C@@H]2CCN(Cc3ccccc3)C2)c1O ZINC000271039905 456107277 /nfs/dbraw/zinc/10/72/77/456107277.db2.gz LZIJFEAUTOAWCU-GOSISDBHSA-N 1 1 326.440 3.107 10 10 EGCEMO COc1cccc(CN(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1O ZINC000271039905 456107282 /nfs/dbraw/zinc/10/72/82/456107282.db2.gz LZIJFEAUTOAWCU-GOSISDBHSA-N 1 1 326.440 3.107 10 10 EGCEMO COc1cccc(CN(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1O ZINC000271039905 456107288 /nfs/dbraw/zinc/10/72/88/456107288.db2.gz LZIJFEAUTOAWCU-GOSISDBHSA-N 1 1 326.440 3.107 10 10 EGCEMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NCCCCF)C1 ZINC000360504355 457316086 /nfs/dbraw/zinc/31/60/86/457316086.db2.gz CFTXNRSYUOPZJA-UHFFFAOYSA-N 1 1 345.462 3.274 10 10 EGCEMO COCC[C@H]1CCCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000375106482 457794541 /nfs/dbraw/zinc/79/45/41/457794541.db2.gz VCARIRJPSRVOFJ-GOSISDBHSA-N 1 1 332.488 3.162 10 10 EGCEMO CC[C@@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)C[C@@]2(CCOC2)O1 ZINC000376020181 458166601 /nfs/dbraw/zinc/16/66/01/458166601.db2.gz DYLHYARPKGOPLF-NHCUHLMSSA-N 1 1 344.499 3.447 10 10 EGCEMO COC(=O)[C@H]1CC[N@@H+](Cc2cc3oc4ccccc4c3cc2O)C1 ZINC000726962595 574621557 /nfs/dbraw/zinc/62/15/57/574621557.db2.gz ZZXWQMFRVSVGEK-LBPRGKRZSA-N 1 1 325.364 3.287 10 10 EGCEMO CC[N@H+]1CC[C@H](CNC(=O)c2cc(C)ccc2-n2c(C)ccc2C)C1 ZINC000730937396 575037898 /nfs/dbraw/zinc/03/78/98/575037898.db2.gz SNCRIPJQDPCSGO-GOSISDBHSA-N 1 1 339.483 3.474 10 10 EGCEMO Cc1ccc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)c(C)n1 ZINC000186504358 1295332611 /nfs/dbraw/zinc/33/26/11/1295332611.db2.gz VALXJWPHPMPOTG-UHFFFAOYSA-N 1 1 325.456 3.167 10 10 EGCEMO [O-]c1cccc(Br)c1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000706833852 1298223044 /nfs/dbraw/zinc/22/30/44/1298223044.db2.gz KAFJQMSOWJEEAJ-OAHLLOKOSA-N 1 1 339.277 3.119 10 10 EGCEMO Oc1c(F)cc(F)cc1C[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000893909806 1306125861 /nfs/dbraw/zinc/12/58/61/1306125861.db2.gz FRJDDEKMKZRNNM-UHFFFAOYSA-N 1 1 344.365 3.093 10 10 EGCEMO Oc1cc(Br)ccc1C[NH2+]C1(c2ncccn2)CCC1 ZINC000895624266 1309434345 /nfs/dbraw/zinc/43/43/45/1309434345.db2.gz ZBXVJGXQOYPLKL-UHFFFAOYSA-N 1 1 334.217 3.114 10 10 EGCEMO Oc1c(Br)cccc1C[N@@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000895846591 1309555215 /nfs/dbraw/zinc/55/52/15/1309555215.db2.gz QRPGSXJMRRBLFW-SMDDNHRTSA-N 1 1 326.234 3.156 10 10 EGCEMO Oc1c(Br)cccc1C[N@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000895846591 1309555220 /nfs/dbraw/zinc/55/52/20/1309555220.db2.gz QRPGSXJMRRBLFW-SMDDNHRTSA-N 1 1 326.234 3.156 10 10 EGCEMO Oc1ccc(Br)cc1C[N@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000895848466 1309557292 /nfs/dbraw/zinc/55/72/92/1309557292.db2.gz ZMPUOVJCMNWPCF-XHDPSFHLSA-N 1 1 326.234 3.156 10 10 EGCEMO c1[nH]nc2c1CCC[C@H]2[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000857848808 1328602020 /nfs/dbraw/zinc/60/20/20/1328602020.db2.gz NGGHTSJZCIQJSF-QGZVFWFLSA-N 1 1 328.485 3.130 10 10 EGCEMO c1cc([C@@H]2CCC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)ccn1 ZINC000930479039 1328869373 /nfs/dbraw/zinc/86/93/73/1328869373.db2.gz ZHVYQGMYFCENLY-HXUWFJFHSA-N 1 1 337.467 3.298 10 10 EGCEMO Cc1cc(C(=O)NC[C@@H]2CCC[N@@H+]2C)c(C)n1-c1cccc(C)c1 ZINC000920474996 1322182163 /nfs/dbraw/zinc/18/21/63/1322182163.db2.gz YTQOICJFAASYQA-SFHVURJKSA-N 1 1 325.456 3.227 10 10 EGCEMO COC[C@]1(C)C[N@@H+](Cc2cc(-c3ccccc3)ccc2O)CCO1 ZINC000862552343 1329495846 /nfs/dbraw/zinc/49/58/46/1329495846.db2.gz WUFXSSGHWNRYEF-FQEVSTJZSA-N 1 1 327.424 3.297 10 10 EGCEMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@H]2c3ccccc3CN2C)c1 ZINC000866564203 1330127296 /nfs/dbraw/zinc/12/72/96/1330127296.db2.gz SGVXZCOVZRXYQF-ACJLOTCBSA-N 1 1 340.423 3.016 10 10 EGCEMO CC[C@@H]1[C@@H](C(=O)Nc2c(-c3ccccn3)nc3ccccn32)CC[N@H+]1C ZINC000868432800 1330280123 /nfs/dbraw/zinc/28/01/23/1330280123.db2.gz DQQGQFXMGZIKFB-GOEBONIOSA-N 1 1 349.438 3.065 10 10 EGCEMO CC[C@@H](C)C[N@@H+](CCNC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC001267338466 1377442699 /nfs/dbraw/zinc/44/26/99/1377442699.db2.gz XPAREIHJHRUGCY-CYBMUJFWSA-N 1 1 345.447 3.089 10 10 EGCEMO CCCN(Cc1ccccc1O)C(=O)C[N@@H+](C)CCc1ccccc1 ZINC001294681258 1382483256 /nfs/dbraw/zinc/48/32/56/1382483256.db2.gz AMGVJAVAVNLICY-UHFFFAOYSA-N 1 1 340.467 3.305 10 10 EGCEMO COC(=O)C1(c2ccc(C[N@@H+](C)Cc3ccccc3O)cc2)CC1 ZINC001307538369 1383999946 /nfs/dbraw/zinc/99/99/46/1383999946.db2.gz XIWIVMAOHIRBHS-UHFFFAOYSA-N 1 1 325.408 3.229 10 10 EGCEMO Cc1ccc(C[N@H+](C)Cc2ccc(N3CCN(C)CC3)c(F)c2)o1 ZINC001320465845 1386617189 /nfs/dbraw/zinc/61/71/89/1386617189.db2.gz OKSNEZZDRPUBAX-UHFFFAOYSA-N 1 1 331.435 3.111 10 10 EGCEMO COC[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2O)CC1 ZINC001350620867 1391492127 /nfs/dbraw/zinc/49/21/27/1391492127.db2.gz ZUMCCIQAGSSHII-LBPRGKRZSA-N 1 1 328.250 3.403 10 10 EGCEMO CCN(CC)c1ccc(C[N@H+]2CCO[C@@H]3CC[C@H](OC)C[C@@H]32)cc1 ZINC000245693940 455357489 /nfs/dbraw/zinc/35/74/89/455357489.db2.gz AZFRTJRKENSNCL-SLFFLAALSA-N 1 1 332.488 3.301 10 10 EGCEMO CCC[N@H+](Cc1ccccc1O)C[C@H](O)COCc1ccccc1 ZINC000076074273 453958527 /nfs/dbraw/zinc/95/85/27/453958527.db2.gz AMZRQVWGEWMGBQ-IBGZPJMESA-N 1 1 329.440 3.182 10 10 EGCEMO CN(C)c1ccc(C[N@@H+](C)Cc2cn(C)nc2C(F)(F)F)cc1 ZINC000092068763 454513433 /nfs/dbraw/zinc/51/34/33/454513433.db2.gz XQYNSMROBMQMQT-UHFFFAOYSA-N 1 1 326.366 3.137 10 10 EGCEMO CCOc1cccc(C[NH+]2CCN(C(=O)C3CCCCC3)CC2)c1O ZINC000092539564 454582875 /nfs/dbraw/zinc/58/28/75/454582875.db2.gz SRANQWRBDLEOPI-UHFFFAOYSA-N 1 1 346.471 3.015 10 10 EGCEMO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cc(F)ccc3O)C2)n1 ZINC000179938117 455102558 /nfs/dbraw/zinc/10/25/58/455102558.db2.gz JAHCTLFKHAUKPG-CQSZACIVSA-N 1 1 343.402 3.085 10 10 EGCEMO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1O)c1ccc(S(C)(=O)=O)cc1 ZINC000185170463 455514957 /nfs/dbraw/zinc/51/49/57/455514957.db2.gz QOFGRRHGIKRCDA-NEPJUHHUSA-N 1 1 337.416 3.347 10 10 EGCEMO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(F)c(CN(C)C)c2)c1 ZINC000185459382 455560116 /nfs/dbraw/zinc/56/01/16/455560116.db2.gz AITBJUMAAJITDA-CYBMUJFWSA-N 1 1 332.419 3.452 10 10 EGCEMO C[C@H]([NH2+][C@H]1CCN(C(=O)C2CCCCC2)C1)c1ccc(F)cc1O ZINC000185762738 455616986 /nfs/dbraw/zinc/61/69/86/455616986.db2.gz NTPBXWXXYNVGQE-BBRMVZONSA-N 1 1 334.435 3.363 10 10 EGCEMO COc1ccc(N2CCC[N@@H+](Cc3ccc(C)nc3C)CC2)cc1 ZINC000186712036 455825267 /nfs/dbraw/zinc/82/52/67/455825267.db2.gz DLOHIPAYSVYLBW-UHFFFAOYSA-N 1 1 325.456 3.419 10 10 EGCEMO Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)c1O ZINC000294739902 455826456 /nfs/dbraw/zinc/82/64/56/455826456.db2.gz HCCQVMLUEOFOEU-ZDUSSCGKSA-N 1 1 338.879 3.468 10 10 EGCEMO CCCC[N@@H+](Cc1ccc(C(=O)OC)cn1)Cc1ccccc1O ZINC000285344313 455828191 /nfs/dbraw/zinc/82/81/91/455828191.db2.gz PMTWFZLKFPJHII-UHFFFAOYSA-N 1 1 328.412 3.376 10 10 EGCEMO COC1CCN(c2ccc(C[N@H+]3CC[C@@H](C)[C@H](OC)C3)cc2)CC1 ZINC000295930630 455863481 /nfs/dbraw/zinc/86/34/81/455863481.db2.gz HEYUAETZRGWPLZ-OXQOHEQNSA-N 1 1 332.488 3.159 10 10 EGCEMO CCc1nnc(C[NH2+]Cc2ccc(N(C)Cc3cccs3)cc2)[nH]1 ZINC000295965659 455864104 /nfs/dbraw/zinc/86/41/04/455864104.db2.gz IDXDQBILCIBJBM-UHFFFAOYSA-N 1 1 341.484 3.355 10 10 EGCEMO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2cnn(C)c2)c1O ZINC000378440688 457397441 /nfs/dbraw/zinc/39/74/41/457397441.db2.gz DHJMDLLYHISPTA-IRXDYDNUSA-N 1 1 349.862 3.176 10 10 EGCEMO CC[C@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)C[C@@]2(CCOC2)O1 ZINC000376020178 458166539 /nfs/dbraw/zinc/16/65/39/458166539.db2.gz DYLHYARPKGOPLF-LEWJYISDSA-N 1 1 344.499 3.447 10 10 EGCEMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)C2CCC2)C1 ZINC000435805047 458207892 /nfs/dbraw/zinc/20/78/92/458207892.db2.gz ARTBLPYVQBXMHT-UHFFFAOYSA-N 1 1 339.483 3.419 10 10 EGCEMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2[C@H](C)C[C@@H]2C)C1 ZINC000525939686 459517717 /nfs/dbraw/zinc/51/77/17/459517717.db2.gz CFODEROYOVZQSM-IYBDPMFKSA-N 1 1 339.483 3.417 10 10 EGCEMO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C1=CC(=O)CS1 ZINC000731872026 575214135 /nfs/dbraw/zinc/21/41/35/575214135.db2.gz WNPSTDXFZTXBQM-HNNXBMFYSA-N 1 1 330.453 3.238 10 10 EGCEMO O=C(NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)C1=CC(=O)CS1 ZINC000731872026 575214140 /nfs/dbraw/zinc/21/41/40/575214140.db2.gz WNPSTDXFZTXBQM-HNNXBMFYSA-N 1 1 330.453 3.238 10 10 EGCEMO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1cc2c(cc1O)CCC2 ZINC000738108580 576289430 /nfs/dbraw/zinc/28/94/30/576289430.db2.gz DHBDIKAUCHPNPA-CQSZACIVSA-N 1 1 346.471 3.322 10 10 EGCEMO COc1cc(C)cc(C[N@H+]2CCO[C@H](Cc3ccccc3)C2)c1O ZINC000182951494 1295087469 /nfs/dbraw/zinc/08/74/69/1295087469.db2.gz XDGFTIBLFJPLEQ-GOSISDBHSA-N 1 1 327.424 3.153 10 10 EGCEMO Cc1cncc(/C=C\C(=O)N2C[C@H]3CCC[N@H+]3Cc3ccccc32)c1 ZINC000255212900 1296510325 /nfs/dbraw/zinc/51/03/25/1296510325.db2.gz XKYOLGHTAARBRA-OLHLWXQYSA-N 1 1 333.435 3.414 10 10 EGCEMO C[C@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1ccc(Cl)cc1O ZINC000872119675 1296745560 /nfs/dbraw/zinc/74/55/60/1296745560.db2.gz UNGRLCGTHORCTC-CRMUJIHISA-N 1 1 343.876 3.052 10 10 EGCEMO CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2cc(Br)ccc2[O-])C1 ZINC000872251787 1296852838 /nfs/dbraw/zinc/85/28/38/1296852838.db2.gz NBPUIMLKBOUHKB-ZDUSSCGKSA-N 1 1 327.266 3.023 10 10 EGCEMO c1ccc2c(C[NH2+]Cc3ccc(N4CCOCC4)cc3)nsc2c1 ZINC000883411237 1302436315 /nfs/dbraw/zinc/43/63/15/1302436315.db2.gz TZTZHGGUOMLYSB-UHFFFAOYSA-N 1 1 339.464 3.423 10 10 EGCEMO Cc1cc(Br)cc(C[N@H+]2CC[C@@H]([C@@H]3CCCO3)C2)c1O ZINC000895849457 1309559971 /nfs/dbraw/zinc/55/99/71/1309559971.db2.gz WXPJEPUHKNAZPP-DOMZBBRYSA-N 1 1 340.261 3.464 10 10 EGCEMO Oc1c(Br)cccc1C[NH2+]C[C@@H]1Cc2ccccc2CO1 ZINC000858212687 1328712598 /nfs/dbraw/zinc/71/25/98/1328712598.db2.gz ZYEZZNWSDJDYIM-HNNXBMFYSA-N 1 1 348.240 3.386 10 10 EGCEMO C[N@@H+](Cc1ccccc1O)CC1(O)CCC(C(=O)OC(C)(C)C)CC1 ZINC000859189664 1328941044 /nfs/dbraw/zinc/94/10/44/1328941044.db2.gz VQEQQXDMXOEQDE-UHFFFAOYSA-N 1 1 349.471 3.087 10 10 EGCEMO COc1cc(OC)c(C[NH2+]Cc2ccc3c(c2)CCCO3)c(OC)c1 ZINC000921550563 1322348883 /nfs/dbraw/zinc/34/88/83/1322348883.db2.gz LSCLOINXCXSYTJ-UHFFFAOYSA-N 1 1 343.423 3.327 10 10 EGCEMO c1cc(N2CCCCC2)ccc1C[NH2+]Cc1nc2c(s1)COCC2 ZINC000922963180 1322663562 /nfs/dbraw/zinc/66/35/62/1322663562.db2.gz XZAPJVQDZCCXNM-UHFFFAOYSA-N 1 1 343.496 3.496 10 10 EGCEMO C[C@@H]([NH2+][C@H]1CNCC2(CCOCC2)C1)c1cc2c(cc1O)CCCC2 ZINC000925795388 1325303634 /nfs/dbraw/zinc/30/36/34/1325303634.db2.gz XOKRVTPBJQXTOW-CRAIPNDOSA-N 1 1 344.499 3.080 10 10 EGCEMO OCC[C@H]1CCCCC[N@H+]1Cc1c(O)cccc1Br ZINC000862360161 1329477853 /nfs/dbraw/zinc/47/78/53/1329477853.db2.gz CCAWKJXJNXOTPW-GFCCVEGCSA-N 1 1 328.250 3.282 10 10 EGCEMO COC(=O)c1ccc(F)c2c1C[N@H+](Cc1cccc(C)c1O)CC2 ZINC000862468668 1329489248 /nfs/dbraw/zinc/48/92/48/1329489248.db2.gz LECMUQADKMCWRS-UHFFFAOYSA-N 1 1 329.371 3.185 10 10 EGCEMO COC(=O)c1ccc(F)c2c1C[N@@H+](Cc1cccc(C)c1O)CC2 ZINC000862468668 1329489249 /nfs/dbraw/zinc/48/92/49/1329489249.db2.gz LECMUQADKMCWRS-UHFFFAOYSA-N 1 1 329.371 3.185 10 10 EGCEMO CN(C)c1ccc(/C=C/C[NH2+]Cc2c(Br)cnn2C)cc1 ZINC000865681233 1329728875 /nfs/dbraw/zinc/72/88/75/1329728875.db2.gz UGMOCQYVQYEYOF-SNAWJCMRSA-N 1 1 349.276 3.052 10 10 EGCEMO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001136733389 1377418773 /nfs/dbraw/zinc/41/87/73/1377418773.db2.gz WCXOSUZTMZKKJI-ZDUSSCGKSA-N 1 1 348.468 3.307 10 10 EGCEMO C[N@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC001307166259 1383949139 /nfs/dbraw/zinc/94/91/39/1383949139.db2.gz NOHQEBACSBQWHM-MRXNPFEDSA-N 1 1 339.395 3.332 10 10 EGCEMO CN(C)c1ccc(C[N@@H+](C[C@H]2CCC[C@@]3(CCOC3)O2)C2CC2)cc1 ZINC001307424114 1383988524 /nfs/dbraw/zinc/98/85/24/1383988524.db2.gz MXTCCCAWIAFILD-RTWAWAEBSA-N 1 1 344.499 3.445 10 10 EGCEMO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H]2[C@@H](O)c2ccccc2)c1O ZINC001307986847 1384068806 /nfs/dbraw/zinc/06/88/06/1384068806.db2.gz DBGWMFDVBNWADQ-ICSRJNTNSA-N 1 1 343.398 3.432 10 10 EGCEMO CCCCCC[N@H+]1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001316994858 1384751542 /nfs/dbraw/zinc/75/15/42/1384751542.db2.gz PNOLUYRFSAPEJO-MRXNPFEDSA-N 1 1 345.447 3.233 10 10 EGCEMO C[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)[N@@H+](C)CC1CCCC1 ZINC001725199280 1425755461 /nfs/dbraw/zinc/75/54/61/1425755461.db2.gz ALYDBEDYLRZARD-ZDUSSCGKSA-N 1 1 345.447 3.089 10 10 EGCEMO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+]Cc2cc(Cl)c(F)cc2O)C1 ZINC000293638556 455793392 /nfs/dbraw/zinc/79/33/92/455793392.db2.gz NTZKJJPTEAARFK-DCVWQXJKSA-N 1 1 333.856 3.354 10 10 EGCEMO O=c1cc(C[N@@H+]2CCC[C@@H]2c2ccco2)c2cc(O)c(O)cc2o1 ZINC000097135203 454413050 /nfs/dbraw/zinc/41/30/50/454413050.db2.gz 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10 10 EGCEMO C[C@@H](NC(=O)NC[C@H]1CC[N@H+]1C1CCCCC1)c1ccccc1O ZINC000868803632 1330347956 /nfs/dbraw/zinc/34/79/56/1330347956.db2.gz QICDEVMHEOEAKC-GDBMZVCRSA-N 1 1 331.460 3.159 10 10 EGCEMO CC[C@@H](C)[C@H](C)[N@@H+](CC(=O)NCc1ccc(N(C)C)cc1)C1CC1 ZINC001190913673 1367381462 /nfs/dbraw/zinc/38/14/62/1367381462.db2.gz NCBCLETYXHJQID-CVEARBPZSA-N 1 1 331.504 3.268 10 10 EGCEMO COC(=O)CC(C)(C)[N@@H+](C)Cc1cc(C)cc(Br)c1[O-] ZINC001325133245 1387903615 /nfs/dbraw/zinc/90/36/15/1387903615.db2.gz AWJZFZMAAUILQW-UHFFFAOYSA-N 1 1 344.249 3.237 10 10 EGCEMO COC(=O)CC(C)(C)[N@H+](C)Cc1cc(C)cc(Br)c1O ZINC001325133245 1387903617 /nfs/dbraw/zinc/90/36/17/1387903617.db2.gz AWJZFZMAAUILQW-UHFFFAOYSA-N 1 1 344.249 3.237 10 10 EGCEMO COC(=O)CC(C)(C)[N@@H+](C)Cc1cc(C)cc(Br)c1O ZINC001325133245 1387903619 /nfs/dbraw/zinc/90/36/19/1387903619.db2.gz AWJZFZMAAUILQW-UHFFFAOYSA-N 1 1 344.249 3.237 10 10 EGCEMO Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)cc1 ZINC001135240927 1376996708 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EGCEMO Cn1cc([C@@H]2CCC[N@H+]2Cc2cc(Br)ccc2O)cn1 ZINC000131803932 454288230 /nfs/dbraw/zinc/28/82/30/454288230.db2.gz KVCQLZOGJBKUCJ-AWEZNQCLSA-N 1 1 336.233 3.225 10 10 EGCEMO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3c(O)ccc4ccccc43)[C@@H]2C1 ZINC000165266006 454897074 /nfs/dbraw/zinc/89/70/74/454897074.db2.gz IXAXDSVPEJAQSJ-ZTNFWEORSA-N 1 1 327.424 3.314 10 10 EGCEMO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](CC)c1ccc(N(C)C)cc1 ZINC000167811531 454924198 /nfs/dbraw/zinc/92/41/98/454924198.db2.gz CKEFKEFPZPJMEZ-SJORKVTESA-N 1 1 327.476 3.482 10 10 EGCEMO Cc1cc(Cl)cc(C[NH+]2CCN(Cc3ccccn3)CC2)c1O ZINC000179628415 455062859 /nfs/dbraw/zinc/06/28/59/455062859.db2.gz CTGGBGDDCWUXIY-UHFFFAOYSA-N 1 1 331.847 3.067 10 10 EGCEMO C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N(C)Cc1ccccc1O ZINC000181061769 455282515 /nfs/dbraw/zinc/28/25/15/455282515.db2.gz GPJISMZJUUAWRK-INIZCTEOSA-N 1 1 341.455 3.054 10 10 EGCEMO CNC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)c(F)cc1O ZINC000293999079 455803206 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COc1cc(O)c(C[N@@H+](C)[C@@H](C)[C@H]2Cc3ccccc3O2)cc1OC ZINC000371469764 457947698 /nfs/dbraw/zinc/94/76/98/457947698.db2.gz GNWCYUUZTPOQBL-SCLBCKFNSA-N 1 1 343.423 3.233 10 10 EGCEMO COc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2cc(F)ccc2O)cc1 ZINC000371532880 457978234 /nfs/dbraw/zinc/97/82/34/457978234.db2.gz BPBWKQZADZDADJ-KRWDZBQOSA-N 1 1 344.386 3.143 10 10 EGCEMO COc1ccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2cc(F)ccc2O)cc1 ZINC000371532880 457978238 /nfs/dbraw/zinc/97/82/38/457978238.db2.gz BPBWKQZADZDADJ-KRWDZBQOSA-N 1 1 344.386 3.143 10 10 EGCEMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2cnoc2)C1 ZINC000683442768 550229891 /nfs/dbraw/zinc/22/98/91/550229891.db2.gz PMAPDHRYKINQNO-UHFFFAOYSA-N 1 1 338.411 3.035 10 10 EGCEMO Cc1cc(C(=O)N2CC[NH+](C3CC3)CC2)c(C)n1-c1ccccc1C ZINC000742446779 576785046 /nfs/dbraw/zinc/78/50/46/576785046.db2.gz LOHBMFKTGSSMRQ-UHFFFAOYSA-N 1 1 337.467 3.323 10 10 EGCEMO CN(C)c1ccc(C[N@@H+](C)[C@H]2CCN(c3ccccc3F)C2=O)cc1 ZINC000152850742 1293987288 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COC(=O)c1c(C[N@H+]2CC[C@@H](OC(C)C)C2)c2cc(F)ccc2n1C ZINC000895075220 1309181822 /nfs/dbraw/zinc/18/18/22/1309181822.db2.gz WOIQGLQYWVZOPQ-CQSZACIVSA-N 1 1 348.418 3.103 10 10 EGCEMO Oc1cc(F)c(Cl)cc1C[NH2+]C[C@@H](O)Cc1ccccc1F ZINC000895749108 1309503602 /nfs/dbraw/zinc/50/36/02/1309503602.db2.gz MGZOOHIERPSEFC-LBPRGKRZSA-N 1 1 327.758 3.017 10 10 EGCEMO CC(=O)NCCCCC[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000929973187 1328753818 /nfs/dbraw/zinc/75/38/18/1328753818.db2.gz XVLWBZHVTILCNS-UHFFFAOYSA-N 1 1 330.428 3.294 10 10 EGCEMO C[C@H]([NH2+]CC1(OCCO)CCC(F)(F)CC1)c1ccc(F)cc1O ZINC000858483569 1328775924 /nfs/dbraw/zinc/77/59/24/1328775924.db2.gz SKVWCJFOIYKSSJ-LBPRGKRZSA-N 1 1 347.377 3.139 10 10 EGCEMO CC[C@H]([NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)c1cccc(Cl)c1[O-] ZINC000925794888 1325304628 /nfs/dbraw/zinc/30/46/28/1325304628.db2.gz VWZFGDOENOYOFJ-CJNGLKHVSA-N 1 1 338.879 3.245 10 10 EGCEMO C[C@]1(C2CC2)C[N@H+](Cc2c(O)cccc2Br)CCO1 ZINC000862409385 1329484019 /nfs/dbraw/zinc/48/40/19/1329484019.db2.gz SUHFJPDXQGBKTM-OAHLLOKOSA-N 1 1 326.234 3.156 10 10 EGCEMO C[C@]1(C2CC2)C[N@@H+](Cc2c(O)cccc2Br)CCO1 ZINC000862409385 1329484021 /nfs/dbraw/zinc/48/40/21/1329484021.db2.gz SUHFJPDXQGBKTM-OAHLLOKOSA-N 1 1 326.234 3.156 10 10 EGCEMO COC(=O)[C@@H]1C[N@@H+](Cc2cc3c(cc2O)CCC3)Cc2ccccc21 ZINC000863333449 1329547524 /nfs/dbraw/zinc/54/75/24/1329547524.db2.gz PIIAYEOYKVMEIK-LJQANCHMSA-N 1 1 337.419 3.153 10 10 EGCEMO C[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1cc(Br)cc(Cl)c1[O-] ZINC000863547745 1329562495 /nfs/dbraw/zinc/56/24/95/1329562495.db2.gz XNRLRJDEDWQRCH-YVZVNANGSA-N 1 1 333.657 3.209 10 10 EGCEMO C[C@H]([NH2+][C@H]1CCN(CC(C)(C)O)C1)c1cc(Cl)c(Cl)cc1O ZINC000866413472 1330108764 /nfs/dbraw/zinc/10/87/64/1330108764.db2.gz RVHIANYCJGVYKO-QWRGUYRKSA-N 1 1 347.286 3.195 10 10 EGCEMO Cc1cc(Br)c([O-])c(C[N@H+]2CCC[C@@](C)(CO)C2)c1 ZINC001325136409 1387903702 /nfs/dbraw/zinc/90/37/02/1387903702.db2.gz OFFFROFUBMUXFR-OAHLLOKOSA-N 1 1 328.250 3.058 10 10 EGCEMO Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@@](C)(CO)C2)c1 ZINC001325136409 1387903705 /nfs/dbraw/zinc/90/37/05/1387903705.db2.gz OFFFROFUBMUXFR-OAHLLOKOSA-N 1 1 328.250 3.058 10 10 EGCEMO Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@@](C)(CO)C2)c1 ZINC001325136409 1387903708 /nfs/dbraw/zinc/90/37/08/1387903708.db2.gz OFFFROFUBMUXFR-OAHLLOKOSA-N 1 1 328.250 3.058 10 10 EGCEMO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC001167341040 1383603830 /nfs/dbraw/zinc/60/38/30/1383603830.db2.gz DGCKXAPMVHFKPA-OAHLLOKOSA-N 1 1 333.476 3.194 10 10 EGCEMO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC001167341040 1383603833 /nfs/dbraw/zinc/60/38/33/1383603833.db2.gz DGCKXAPMVHFKPA-OAHLLOKOSA-N 1 1 333.476 3.194 10 10 EGCEMO Cc1cc(C[N@H+](C)C2CCS(=O)CC2)ccc1N1CCCCC1 ZINC001167683819 1383709128 /nfs/dbraw/zinc/70/91/28/1383709128.db2.gz CFNSTAIJMXKBGF-UHFFFAOYSA-N 1 1 334.529 3.328 10 10 EGCEMO COc1ccc2c(c1)C[C@@H](C(C)C)CN2CC[N@@H+]1CCOC[C@H]1C ZINC001307864039 1384045792 /nfs/dbraw/zinc/04/57/92/1384045792.db2.gz LXELLYYCSNWMPU-SJLPKXTDSA-N 1 1 332.488 3.051 10 10 EGCEMO COc1ccc2c(c1)C[C@@H](C(C)C)CN2CC[N@H+]1CCOC[C@H]1C ZINC001307864039 1384045796 /nfs/dbraw/zinc/04/57/96/1384045796.db2.gz LXELLYYCSNWMPU-SJLPKXTDSA-N 1 1 332.488 3.051 10 10 EGCEMO Cc1cc(Br)c(O)c(C[NH2+][C@@H]2CCCC[C@@H]2N(C)C)c1 ZINC001320822555 1386729111 /nfs/dbraw/zinc/72/91/11/1386729111.db2.gz LZLZZGFULWHSHY-CABCVRRESA-N 1 1 341.293 3.426 10 10 EGCEMO CCCCC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001494876584 1396505642 /nfs/dbraw/zinc/50/56/42/1396505642.db2.gz PDZUJBXHDNRIER-INIZCTEOSA-N 1 1 345.447 3.186 10 10 EGCEMO CCCCC[N@H+]1CC[C@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001691171012 1405106989 /nfs/dbraw/zinc/10/69/89/1405106989.db2.gz LLRGORCIUXVPOB-CQSZACIVSA-N 1 1 345.447 3.091 10 10 EGCEMO CCCCC[N@@H+](C)C[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001716509132 1420741269 /nfs/dbraw/zinc/74/12/69/1420741269.db2.gz WSFXRFMBUDOFJU-ZDUSSCGKSA-N 1 1 333.436 3.089 10 10 EGCEMO CCOc1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)c1O ZINC000245708937 455361817 /nfs/dbraw/zinc/36/18/17/455361817.db2.gz CECAYSRYVVMZEW-MAUKXSAKSA-N 1 1 330.472 3.240 10 10 EGCEMO CCOc1cccc(C[N@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)c1O ZINC000245708937 455361824 /nfs/dbraw/zinc/36/18/24/455361824.db2.gz CECAYSRYVVMZEW-MAUKXSAKSA-N 1 1 330.472 3.240 10 10 EGCEMO CCOc1ccc(O)c(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccco2)c1 ZINC000091958907 454496128 /nfs/dbraw/zinc/49/61/28/454496128.db2.gz BITJDOCURUIKOG-YJBOKZPZSA-N 1 1 331.412 3.472 10 10 EGCEMO CCCOc1ccc(C[N@@H+](C)[C@@H]2CCCc3c2cnn3C)c(O)c1 ZINC000093864199 454741857 /nfs/dbraw/zinc/74/18/57/454741857.db2.gz ZVAANSUSFGDILU-QGZVFWFLSA-N 1 1 329.444 3.424 10 10 EGCEMO C[C@H]([NH2+]C[C@@H](O)CN1CCCCC1)c1ccc(N2CCCCC2)cc1 ZINC000151244383 454958357 /nfs/dbraw/zinc/95/83/57/454958357.db2.gz VIALHGFCRCOJGX-GHTZIAJQSA-N 1 1 345.531 3.174 10 10 EGCEMO Cc1ncsc1CN(C)C[C@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC000190468607 455325748 /nfs/dbraw/zinc/32/57/48/455325748.db2.gz OPIGFKMHBICOBM-OAHLLOKOSA-N 1 1 331.485 3.111 10 10 EGCEMO c1cc(N2CCCCC2)ccc1C[N@H+]1CCS[C@H]2COCC[C@H]21 ZINC000245728168 455366601 /nfs/dbraw/zinc/36/66/01/455366601.db2.gz DYKCNBKTUZJOLJ-MOPGFXCFSA-N 1 1 332.513 3.383 10 10 EGCEMO C[C@H](C[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O)N1CCOCC1 ZINC000192634768 455658642 /nfs/dbraw/zinc/65/86/42/455658642.db2.gz OXSOMYACFGGRGT-GHMZBOCLSA-N 1 1 333.259 3.070 10 10 EGCEMO CC[N@@H+](Cc1cc(C)ncn1)Cc1cc(Br)ccc1O ZINC000292540925 455691711 /nfs/dbraw/zinc/69/17/11/455691711.db2.gz PWZJNMDLAGQBNV-UHFFFAOYSA-N 1 1 336.233 3.275 10 10 EGCEMO C[N@@H+](Cc1ccccc1O)C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000195163093 455928358 /nfs/dbraw/zinc/92/83/58/455928358.db2.gz SRRCBGUHSFERBU-LJQANCHMSA-N 1 1 334.460 3.471 10 10 EGCEMO CC[C@H]([NH2+][C@H](Cc1ccccc1)C(=O)N(C)C)c1ccc(F)cc1O ZINC000286222826 456003213 /nfs/dbraw/zinc/00/32/13/456003213.db2.gz SMDSSULZTDWINL-ZWKOTPCHSA-N 1 1 344.430 3.272 10 10 EGCEMO CC[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C)c1ccc(F)cc1O ZINC000286222823 456003417 /nfs/dbraw/zinc/00/34/17/456003417.db2.gz SMDSSULZTDWINL-ROUUACIJSA-N 1 1 344.430 3.272 10 10 EGCEMO CCNC(=O)C[C@@H]1CCCC[N@H+]1Cc1c(O)ccc2ccccc21 ZINC000283762881 456836720 /nfs/dbraw/zinc/83/67/20/456836720.db2.gz BCGRTMHHWWQFHR-INIZCTEOSA-N 1 1 326.440 3.426 10 10 EGCEMO C[C@@H]1C[C@@]2(CCO1)C[N@H+](Cc1cc(Cl)ccc1O)C[C@H](C)O2 ZINC000366790789 457899631 /nfs/dbraw/zinc/89/96/31/457899631.db2.gz BFGNNARNFBOMLC-IGCXYCKISA-N 1 1 325.836 3.204 10 10 EGCEMO Cc1cc(Cl)cc(C[N@@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)c1O ZINC000373634857 458560064 /nfs/dbraw/zinc/56/00/64/458560064.db2.gz GEFSISIJAOKJIM-GUYCJALGSA-N 1 1 325.836 3.124 10 10 EGCEMO C[NH+](C)[C@H](C(=O)N1Cc2cccc(O)c2C1)c1cccc(Cl)c1 ZINC000871203275 1296271414 /nfs/dbraw/zinc/27/14/14/1296271414.db2.gz VZOJELFITHXDDR-KRWDZBQOSA-N 1 1 330.815 3.191 10 10 EGCEMO C[NH+](C)[C@@H](C(=O)N1Cc2cccc(O)c2C1)c1ccc(Cl)cc1 ZINC000871206158 1296272764 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O=C(N[C@H]1CCC[N@H+]2CCCC[C@H]12)c1cc2cc(O)c(O)cc2s1 ZINC000898440509 1310736846 /nfs/dbraw/zinc/73/68/46/1310736846.db2.gz VOLJCEYOQJYGSF-QWHCGFSZSA-N 1 1 346.452 3.059 10 10 EGCEMO CN(C)c1ccc(C[N@H+](CC(=O)Nc2ccccc2F)C2CC2)cc1 ZINC000917074976 1319750138 /nfs/dbraw/zinc/75/01/38/1319750138.db2.gz NMZICOZSZOQHCJ-UHFFFAOYSA-N 1 1 341.430 3.495 10 10 EGCEMO CN(C)c1ccc(C[N@@H+](CC(=O)Nc2ccccc2F)C2CC2)cc1 ZINC000917074976 1319750147 /nfs/dbraw/zinc/75/01/47/1319750147.db2.gz NMZICOZSZOQHCJ-UHFFFAOYSA-N 1 1 341.430 3.495 10 10 EGCEMO CCN(CC)c1ccc(CNC(=O)NCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000918206657 1319934192 /nfs/dbraw/zinc/93/41/92/1319934192.db2.gz KZSYPOIQPUDDJG-QGZVFWFLSA-N 1 1 346.519 3.206 10 10 EGCEMO C[C@H]1COC2(CCCC2)C[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000931056071 1329038132 /nfs/dbraw/zinc/03/81/32/1329038132.db2.gz ITIYSUHJHDCKEJ-KRWDZBQOSA-N 1 1 330.472 3.057 10 10 EGCEMO C[C@@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1ccc(Br)cc1[O-] ZINC000925839509 1325323757 /nfs/dbraw/zinc/32/37/57/1325323757.db2.gz CFEMCJCHBOBZKT-HFBAOOFYSA-N 1 1 339.277 3.338 10 10 EGCEMO Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[NH+](CCCF)CC1 ZINC000862111726 1329459705 /nfs/dbraw/zinc/45/97/05/1329459705.db2.gz NKOKPBXBIIIRSL-UHFFFAOYSA-N 1 1 349.475 3.273 10 10 EGCEMO Cc1scc(C[NH2+]Cc2ccc(N3CCN(C)CC3)cc2)c1C ZINC000865680028 1329728635 /nfs/dbraw/zinc/72/86/35/1329728635.db2.gz NHCIIZZBMYTMRO-UHFFFAOYSA-N 1 1 329.513 3.407 10 10 EGCEMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2cccc3c2CCOC3)c1 ZINC000866478628 1330117192 /nfs/dbraw/zinc/11/71/92/1330117192.db2.gz JNMXPRLEWQFOAT-CYBMUJFWSA-N 1 1 341.407 3.102 10 10 EGCEMO CC[N@@H+]1CC[C@@H]1C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC001297010660 1383104585 /nfs/dbraw/zinc/10/45/85/1383104585.db2.gz RNQGWFDPGJCCIP-RDTXWAMCSA-N 1 1 349.906 3.287 10 10 EGCEMO CC[N@H+]1CC[C@@H]1C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC001297010660 1383104589 /nfs/dbraw/zinc/10/45/89/1383104589.db2.gz RNQGWFDPGJCCIP-RDTXWAMCSA-N 1 1 349.906 3.287 10 10 EGCEMO Cc1cc(C[N@H+]2CCN(C)[C@H](Cc3ccccc3)C2)ccc1N(C)C ZINC001307747574 1384024493 /nfs/dbraw/zinc/02/44/93/1384024493.db2.gz BQGHUCFXHPYQDM-OAQYLSRUSA-N 1 1 337.511 3.420 10 10 EGCEMO Cc1cc(CN2CC[N@H+](C)[C@H](Cc3ccccc3)C2)ccc1N(C)C ZINC001307747574 1384024501 /nfs/dbraw/zinc/02/45/01/1384024501.db2.gz BQGHUCFXHPYQDM-OAQYLSRUSA-N 1 1 337.511 3.420 10 10 EGCEMO Cc1cc(CN2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)ccc1N(C)C ZINC001307747574 1384024502 /nfs/dbraw/zinc/02/45/02/1384024502.db2.gz BQGHUCFXHPYQDM-OAQYLSRUSA-N 1 1 337.511 3.420 10 10 EGCEMO Cc1cc(C[N@@H+](C)CCc2ccc3c(c2)OCO3)ccc1N(C)C ZINC001176185139 1385505965 /nfs/dbraw/zinc/50/59/65/1385505965.db2.gz MQOWYYFYPOKQHB-UHFFFAOYSA-N 1 1 326.440 3.464 10 10 EGCEMO CCCCC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001713520118 1418261165 /nfs/dbraw/zinc/26/11/65/1418261165.db2.gz NXYNVNQLFYYMRK-MRXNPFEDSA-N 1 1 345.447 3.233 10 10 EGCEMO C[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)[N@@H+](C)CC1CCCC1 ZINC001725199278 1425756127 /nfs/dbraw/zinc/75/61/27/1425756127.db2.gz ALYDBEDYLRZARD-CYBMUJFWSA-N 1 1 345.447 3.089 10 10 EGCEMO C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000185115638 455504075 /nfs/dbraw/zinc/50/40/75/455504075.db2.gz RPCPOJJVMMZYSG-NEPJUHHUSA-N 1 1 347.286 3.196 10 10 EGCEMO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@H]2c2ccco2)cc1 ZINC000172026200 455110781 /nfs/dbraw/zinc/11/07/81/455110781.db2.gz XJOGFPICSYPJHE-SFHVURJKSA-N 1 1 341.455 3.141 10 10 EGCEMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCC[C@H]2c2ccco2)cc1 ZINC000172026200 455110784 /nfs/dbraw/zinc/11/07/84/455110784.db2.gz XJOGFPICSYPJHE-SFHVURJKSA-N 1 1 341.455 3.141 10 10 EGCEMO Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c1O ZINC000180071111 455127274 /nfs/dbraw/zinc/12/72/74/455127274.db2.gz ASFFPQDDXMZXNO-ZDUSSCGKSA-N 1 1 346.862 3.271 10 10 EGCEMO Cc1cc(Br)cc(C[N@H+](C)[C@H]2CCN(C)[C@H](C)C2)c1O ZINC000180423189 455166926 /nfs/dbraw/zinc/16/69/26/455166926.db2.gz BMOCPKVQVTXNQC-DOMZBBRYSA-N 1 1 341.293 3.378 10 10 EGCEMO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)C[C@H](c2ccc(F)cc2)O1 ZINC000172925848 455210829 /nfs/dbraw/zinc/21/08/29/455210829.db2.gz BSOOYXFKCRQALF-CWTRNNRKSA-N 1 1 345.370 3.222 10 10 EGCEMO C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)C[C@H](c2ccc(F)cc2)O1 ZINC000172925848 455210832 /nfs/dbraw/zinc/21/08/32/455210832.db2.gz BSOOYXFKCRQALF-CWTRNNRKSA-N 1 1 345.370 3.222 10 10 EGCEMO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3O)C[C@H]12 ZINC000184241470 455365602 /nfs/dbraw/zinc/36/56/02/455365602.db2.gz AJZRTICHVCQBQP-VNQPRFMTSA-N 1 1 332.444 3.127 10 10 EGCEMO C[C@H]([NH2+][C@H]1CCN(Cc2ccccn2)C[C@@H]1C)c1ccc(F)cc1O ZINC000185472879 455562676 /nfs/dbraw/zinc/56/26/76/455562676.db2.gz RMFFRMIVBBJUTO-DOXZYTNZSA-N 1 1 343.446 3.488 10 10 EGCEMO Cc1cc(C[C@@H](C)[NH2+][C@H](C)c2ccc(Br)cc2O)n[nH]1 ZINC000186131520 455700597 /nfs/dbraw/zinc/70/05/97/455700597.db2.gz UXDZAQXTJKFVTC-MWLCHTKSSA-N 1 1 338.249 3.468 10 10 EGCEMO COc1cc(Cl)cc(C[N@H+]2CC[C@]3(O)CCCC[C@H]3C2)c1O ZINC000248868324 455736040 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CCC[NH+]1CCC(C[NH2+]Cc2c([O-])cccc2Br)CC1 ZINC000858127614 1328689262 /nfs/dbraw/zinc/68/92/62/1328689262.db2.gz KPYJBIYNENGDEA-UHFFFAOYSA-N 1 1 341.293 3.366 10 10 EGCEMO CN1CCN(c2ccc(C[NH2+]C[C@H]3CCCC4(CCC4)O3)cc2)CC1 ZINC000922804973 1322621875 /nfs/dbraw/zinc/62/18/75/1322621875.db2.gz HTPUZNULETYVBF-HXUWFJFHSA-N 1 1 343.515 3.020 10 10 EGCEMO C[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1cc(Br)ccc1[O-] ZINC000925800175 1325307520 /nfs/dbraw/zinc/30/75/20/1325307520.db2.gz WHARAUKTNFHORA-GRYCIOLGSA-N 1 1 327.266 3.051 10 10 EGCEMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC[C@H]2CCC3(CCC3)O2)c1 ZINC000927127751 1327881298 /nfs/dbraw/zinc/88/12/98/1327881298.db2.gz JTHFFZYXSMIWDI-DZGCQCFKSA-N 1 1 333.428 3.321 10 10 EGCEMO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H](C3CCOCC3)C2)c1O ZINC000933076793 1329859623 /nfs/dbraw/zinc/85/96/23/1329859623.db2.gz BOUFPSYGCLGWEM-OAHLLOKOSA-N 1 1 335.419 3.373 10 10 EGCEMO CCOc1ccc(N2CC[NH+](Cc3cc(CO)ccc3F)CC2)cc1 ZINC001118873686 1371244092 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c1cc(N2CCOCC2)ccc1C[N@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000368217662 458019650 /nfs/dbraw/zinc/01/96/50/458019650.db2.gz ZQJDWSWSLKEGCL-WOJBJXKFSA-N 1 1 342.483 3.057 10 10 EGCEMO Oc1ccc(Cl)c(F)c1C[NH2+]Cc1ccnc(-n2ccnc2)c1 ZINC000377258555 458494186 /nfs/dbraw/zinc/49/41/86/458494186.db2.gz SIQIOTAJHHAHJS-UHFFFAOYSA-N 1 1 332.766 3.055 10 10 EGCEMO CC(C)(C)[C@H]1CN(C(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)c2ccccc21 ZINC000662545337 461291102 /nfs/dbraw/zinc/29/11/02/461291102.db2.gz OVTSATHNPCJGLE-BBRMVZONSA-N 1 1 338.455 3.277 10 10 EGCEMO [NH3+]C[C@@H]1CCCC[N@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708098590 1298234696 /nfs/dbraw/zinc/23/46/96/1298234696.db2.gz KQLHUWXRTLEKFT-JTQLQIEISA-N 1 1 347.684 3.369 10 10 EGCEMO [NH3+]C[C@@H]1CCCC[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708098590 1298234707 /nfs/dbraw/zinc/23/47/07/1298234707.db2.gz KQLHUWXRTLEKFT-JTQLQIEISA-N 1 1 347.684 3.369 10 10 EGCEMO COc1cc(C)cc(C[N@H+]2CCC[C@H](CNC(=O)C(C)(C)C)C2)c1O ZINC000164328776 1294346736 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c1cc(N2CCOCC2)ccc1CNC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000858221074 1328714281 /nfs/dbraw/zinc/71/42/81/1328714281.db2.gz AOSAARIRROYZJR-OAQYLSRUSA-N 1 1 343.515 3.020 10 10 EGCEMO c1cc(N2CCOCC2)ccc1CNC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000858221074 1328714283 /nfs/dbraw/zinc/71/42/83/1328714283.db2.gz AOSAARIRROYZJR-OAQYLSRUSA-N 1 1 343.515 3.020 10 10 EGCEMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCN2C2CCCCC2)c1 ZINC000858464194 1328768772 /nfs/dbraw/zinc/76/87/72/1328768772.db2.gz IXDSERIHAMZAGI-PBHICJAKSA-N 1 1 346.471 3.236 10 10 EGCEMO c1cncc([C@H]2CCC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)c1 ZINC000930808993 1328976744 /nfs/dbraw/zinc/97/67/44/1328976744.db2.gz KRARAYNXBZBODZ-FQEVSTJZSA-N 1 1 337.467 3.298 10 10 EGCEMO Cc1cc(C(=O)N[C@@H]2CCC[N@H+](C)C2)c(C)n1-c1ccccc1C ZINC000918709197 1321981146 /nfs/dbraw/zinc/98/11/46/1321981146.db2.gz XJHOKDXHPJWAJH-QGZVFWFLSA-N 1 1 325.456 3.227 10 10 EGCEMO Oc1ccc(Cl)c(F)c1C[NH2+]C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000922456425 1322531705 /nfs/dbraw/zinc/53/17/05/1322531705.db2.gz BRTXLBQPSFMDEE-WRWORJQWSA-N 1 1 327.705 3.384 10 10 EGCEMO C[C@H]([NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1)c1cc(Cl)c(Cl)cc1O ZINC000926948686 1327791636 /nfs/dbraw/zinc/79/16/36/1327791636.db2.gz OKZSBKNIGWUKIY-FHTCGPRVSA-N 1 1 332.227 3.154 10 10 EGCEMO COc1cc(O)c(C[N@H+]2CC[C@@H](c3ccc(O)cc3)C2)cc1OC ZINC000862540218 1329494160 /nfs/dbraw/zinc/49/41/60/1329494160.db2.gz AXYSMHSXEANOMB-CQSZACIVSA-N 1 1 329.396 3.105 10 10 EGCEMO c1ccc([C@@]23C[C@@H]2C[N@H+](Cc2ccc(N4CCOCC4)cc2)C3)cc1 ZINC000931918451 1329771256 /nfs/dbraw/zinc/77/12/56/1329771256.db2.gz OSXVZOWZEDHXKA-IRLDBZIGSA-N 1 1 334.463 3.297 10 10 EGCEMO c1csc(C[C@@H]2CC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)n1 ZINC000934329432 1329967081 /nfs/dbraw/zinc/96/70/81/1329967081.db2.gz QHEQUJUPBASXGG-KRWDZBQOSA-N 1 1 343.496 3.044 10 10 EGCEMO C[C@H]([NH2+][C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23)c1cccc(C(F)(F)F)c1O ZINC000866447288 1330113501 /nfs/dbraw/zinc/11/35/01/1330113501.db2.gz 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C/C=C\CNC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000629034196 460630813 /nfs/dbraw/zinc/63/08/13/460630813.db2.gz SKVSWTGKELSMIV-PLNGDYQASA-N 1 1 325.456 3.100 10 10 EGCEMO CCOc1cccc(C[N@H+]2CCC[C@@H]2c2c(C)nn(C)c2C)c1O ZINC000122765423 454567132 /nfs/dbraw/zinc/56/71/32/454567132.db2.gz NLTHVEPCTJQPJH-MRXNPFEDSA-N 1 1 329.444 3.478 10 10 EGCEMO CCCN(Cc1ccccc1O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000074792445 454636515 /nfs/dbraw/zinc/63/65/15/454636515.db2.gz RGTZLWJTTYXIBO-AYHJJNSGSA-N 1 1 345.487 3.329 10 10 EGCEMO COc1c(C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)c(C)nn1C ZINC000155245180 454978994 /nfs/dbraw/zinc/97/89/94/454978994.db2.gz QXBDYBQLGFMFHJ-UHFFFAOYSA-N 1 1 342.487 3.359 10 10 EGCEMO COc1c(C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)c(C)nn1C ZINC000155245180 454978997 /nfs/dbraw/zinc/97/89/97/454978997.db2.gz QXBDYBQLGFMFHJ-UHFFFAOYSA-N 1 1 342.487 3.359 10 10 EGCEMO Cc1cc(C[C@H](C)[NH2+][C@@H](C)c2cc(Br)ccc2O)n[nH]1 ZINC000186130425 455699583 /nfs/dbraw/zinc/69/95/83/455699583.db2.gz 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ZINC000858452279 1328766405 /nfs/dbraw/zinc/76/64/05/1328766405.db2.gz IUQOXWWAJHJEBM-ZETCQYMHSA-N 1 1 335.276 3.274 10 10 EGCEMO Cc1cc(C(=O)NC[C@H]2CCC[N@@H+]2C)c(C)n1-c1cccc(C)c1 ZINC000920474995 1322181837 /nfs/dbraw/zinc/18/18/37/1322181837.db2.gz YTQOICJFAASYQA-GOSISDBHSA-N 1 1 325.456 3.227 10 10 EGCEMO CN1CCN(c2ccc(C[NH2+]CC[C@H]3CCC4(CCC4)O3)cc2)CC1 ZINC000922968671 1322665656 /nfs/dbraw/zinc/66/56/56/1322665656.db2.gz VTPJWUUYAZLLFT-HXUWFJFHSA-N 1 1 343.515 3.020 10 10 EGCEMO CCn1nc(C)c([C@@H](C)[NH2+]Cc2ccc(N3CCSCC3)cc2)n1 ZINC000924705386 1323124298 /nfs/dbraw/zinc/12/42/98/1323124298.db2.gz BKIHHUWGZJRBFQ-CQSZACIVSA-N 1 1 345.516 3.010 10 10 EGCEMO CCC[N@@H+](Cc1cccc(C(=O)OCC)n1)Cc1ccccc1O ZINC000862237454 1329469747 /nfs/dbraw/zinc/46/97/47/1329469747.db2.gz PRQWBRWJTLJVQL-UHFFFAOYSA-N 1 1 328.412 3.376 10 10 EGCEMO Oc1cccc(Br)c1C[N@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000862252984 1329472020 /nfs/dbraw/zinc/47/20/20/1329472020.db2.gz YZKLRMJVCKOWIA-FZMZJTMJSA-N 1 1 326.234 3.156 10 10 EGCEMO Cc1ncc(C[NH2+]Cc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)o1 ZINC000862272334 1329472929 /nfs/dbraw/zinc/47/29/29/1329472929.db2.gz NFLMHFUOQWGMRZ-BETUJISGSA-N 1 1 333.407 3.026 10 10 EGCEMO Oc1cc(F)c(Cl)cc1C[NH2+]C[C@@H](n1cccn1)C(F)(F)F ZINC000862435206 1329486830 /nfs/dbraw/zinc/48/68/30/1329486830.db2.gz RHOUQCBSFCGIFN-GFCCVEGCSA-N 1 1 337.704 3.274 10 10 EGCEMO COc1ccc([C@@H]2CC[N@@H+](Cc3cc4c(cc3O)OCO4)C2)cc1F ZINC000862541051 1329494358 /nfs/dbraw/zinc/49/43/58/1329494358.db2.gz MBGWEIAWZIDPFM-CYBMUJFWSA-N 1 1 345.370 3.258 10 10 EGCEMO C[C@H]1CC[C@@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2O)CN1 ZINC000863485128 1329557616 /nfs/dbraw/zinc/55/76/16/1329557616.db2.gz VBOFKIMIRZTNHW-MAUKXSAKSA-N 1 1 326.440 3.201 10 10 EGCEMO CC(=O)c1cc(F)cc(C[N@H+]2CCCC[C@@H]([C@@H]3CCOC3)C2)c1O ZINC000934836179 1330010958 /nfs/dbraw/zinc/01/09/58/1330010958.db2.gz NBAREISTUHGKKN-HUUCEWRRSA-N 1 1 335.419 3.373 10 10 EGCEMO CC(=O)c1cc(F)cc(C[N@H+]2CCCC[C@H]([C@H]3CCOC3)C2)c1O ZINC000934836178 1330010968 /nfs/dbraw/zinc/01/09/68/1330010968.db2.gz NBAREISTUHGKKN-GJZGRUSLSA-N 1 1 335.419 3.373 10 10 EGCEMO C[C@@H](NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1)c1ccccc1O ZINC000868449148 1330281800 /nfs/dbraw/zinc/28/18/00/1330281800.db2.gz UGGLLCPNMPFACG-LJHODMEESA-N 1 1 339.439 3.198 10 10 EGCEMO CCC[C@H](C)[C@H]1CCC[N@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC001192172824 1367707501 /nfs/dbraw/zinc/70/75/01/1367707501.db2.gz DVOZIMOTBMUSLM-QFBILLFUSA-N 1 1 331.504 3.269 10 10 EGCEMO CCN(CC)c1ccc(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)cc1F ZINC001136730156 1377418171 /nfs/dbraw/zinc/41/81/71/1377418171.db2.gz FEBAVLNMVHAUDC-LPHOPBHVSA-N 1 1 347.478 3.305 10 10 EGCEMO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CC[N@H+]1CC[C@@H](F)C1 ZINC001290334833 1382083251 /nfs/dbraw/zinc/08/32/51/1382083251.db2.gz QHBFUJXYIPSSOL-GOSISDBHSA-N 1 1 347.478 3.069 10 10 EGCEMO C[C@@H](C1CCCCC1)[N@@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC001169942329 1384201852 /nfs/dbraw/zinc/20/18/52/1384201852.db2.gz MMPJXDRSBKZAQK-INIZCTEOSA-N 1 1 331.504 3.269 10 10 EGCEMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)c1 ZINC001329570101 1389160139 /nfs/dbraw/zinc/16/01/39/1389160139.db2.gz DTNQLTCISJEELA-FRJFDASCSA-N 1 1 325.355 3.263 10 10 EGCEMO CC(C)N(CC[N@@H+](C)CC1CC1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001734553507 1438151983 /nfs/dbraw/zinc/15/19/83/1438151983.db2.gz UMRDPFBYGMANFF-UHFFFAOYSA-N 1 1 345.447 3.041 10 10 EGCEMO Cc1cc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)cc(C)c1O ZINC000016878591 453623116 /nfs/dbraw/zinc/62/31/16/453623116.db2.gz WGAWIOTYBWKDIB-UHFFFAOYSA-N 1 1 340.467 3.478 10 10 EGCEMO Oc1cc2c(cc1C[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccccc1)OCO2 ZINC000093868383 454742981 /nfs/dbraw/zinc/74/29/81/454742981.db2.gz XZQAUMQJXCVJLT-DLBZAZTESA-N 1 1 341.407 3.209 10 10 EGCEMO CCOc1ccc(C[NH2+][C@H]2CCS(=O)(=O)c3ccccc32)cc1C ZINC000170084511 454931995 /nfs/dbraw/zinc/93/19/95/454931995.db2.gz NYOYLGSJPAQVKC-KRWDZBQOSA-N 1 1 345.464 3.402 10 10 EGCEMO CC[C@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)c1ccc(F)cc1O ZINC000285494293 455857203 /nfs/dbraw/zinc/85/72/03/455857203.db2.gz CFMWDKZBGLKVOK-ZBFHGGJFSA-N 1 1 330.407 3.031 10 10 EGCEMO CC[C@@H]([NH2+]Cc1cccc(N2CCOCC2)n1)c1ccc(F)cc1O ZINC000287355651 456067569 /nfs/dbraw/zinc/06/75/69/456067569.db2.gz HAYFPXAKLQEWRH-QGZVFWFLSA-N 1 1 345.418 3.004 10 10 EGCEMO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]Cc2cccc(F)c2O)CC1 ZINC000301949490 456256930 /nfs/dbraw/zinc/25/69/30/456256930.db2.gz YVJXZGXCVOBTED-CQSZACIVSA-N 1 1 338.423 3.411 10 10 EGCEMO Cc1noc(C)c1CO[C@@H]1CC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000370730730 457708300 /nfs/dbraw/zinc/70/83/00/457708300.db2.gz QCAPCQGXLBTERE-MRXNPFEDSA-N 1 1 347.434 3.288 10 10 EGCEMO COc1cc(O)c(C[N@@H+](C)[C@H](C)[C@H]2Cc3ccccc3O2)cc1OC ZINC000371469762 457947869 /nfs/dbraw/zinc/94/78/69/457947869.db2.gz GNWCYUUZTPOQBL-FZKQIMNGSA-N 1 1 343.423 3.233 10 10 EGCEMO Cc1cc(Br)c(O)c(C[NH2+][C@H]2[C@@H](C)[C@H](C)O[C@H]2C)c1 ZINC000527803229 459741908 /nfs/dbraw/zinc/74/19/08/459741908.db2.gz DLQYLIZVKCDSLK-RMIALFOJSA-N 1 1 328.250 3.365 10 10 EGCEMO CC(C)(C)[C@@H]1CN(C(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)c2ccccc21 ZINC000662545341 461290540 /nfs/dbraw/zinc/29/05/40/461290540.db2.gz OVTSATHNPCJGLE-XJKSGUPXSA-N 1 1 338.455 3.277 10 10 EGCEMO Cc1ccc(C)n1-c1ccsc1C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000732165055 575241428 /nfs/dbraw/zinc/24/14/28/575241428.db2.gz CGYVVPPGUVVPIO-INIZCTEOSA-N 1 1 343.496 3.464 10 10 EGCEMO CC[NH+](CC)[C@H]1CCN(Cc2cc(Br)cc(F)c2O)C1 ZINC000715761822 1298286239 /nfs/dbraw/zinc/28/62/39/1298286239.db2.gz UVVVSULCULYXSE-ZDUSSCGKSA-N 1 1 345.256 3.210 10 10 EGCEMO COC(=O)c1c(C[N@H+]2CC[C@@H](SC)C2)c2cc(F)ccc2n1C ZINC000894880171 1309113305 /nfs/dbraw/zinc/11/33/05/1309113305.db2.gz JHYTVXVLWBOPKV-GFCCVEGCSA-N 1 1 336.432 3.041 10 10 EGCEMO C[C@@H]([NH2+][C@H]1CCN(C)C(C)(C)C1)c1ccc(N2CCOCC2)cc1 ZINC000858108397 1328684886 /nfs/dbraw/zinc/68/48/86/1328684886.db2.gz FGVKNYWYPWIKSJ-AEFFLSMTSA-N 1 1 331.504 3.047 10 10 EGCEMO C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(N3CCSCC3)cc2)CC1(C)C ZINC000858099995 1328681700 /nfs/dbraw/zinc/68/17/00/1328681700.db2.gz FVERVBCEYQQWJC-QGZVFWFLSA-N 1 1 333.545 3.202 10 10 EGCEMO C[N@@H+]1CC[C@@H](NCc2ccc(N3CCSCC3)cc2)CC1(C)C ZINC000858099995 1328681705 /nfs/dbraw/zinc/68/17/05/1328681705.db2.gz FVERVBCEYQQWJC-QGZVFWFLSA-N 1 1 333.545 3.202 10 10 EGCEMO C[N@H+]1CC[C@@H](NCc2ccc(N3CCSCC3)cc2)CC1(C)C ZINC000858099995 1328681709 /nfs/dbraw/zinc/68/17/09/1328681709.db2.gz FVERVBCEYQQWJC-QGZVFWFLSA-N 1 1 333.545 3.202 10 10 EGCEMO CN1CC[C@@H]([NH2+]Cc2ccc(N3CCSCC3)cc2)CC1(C)C ZINC000858099995 1328681712 /nfs/dbraw/zinc/68/17/12/1328681712.db2.gz FVERVBCEYQQWJC-QGZVFWFLSA-N 1 1 333.545 3.202 10 10 EGCEMO C[C@@H]([NH2+][C@@H]1CCN(C)C(C)(C)C1)c1ccc(N2CCOCC2)cc1 ZINC000858108399 1328684987 /nfs/dbraw/zinc/68/49/87/1328684987.db2.gz FGVKNYWYPWIKSJ-SJLPKXTDSA-N 1 1 331.504 3.047 10 10 EGCEMO Oc1cc2c(cc1C[N@H+]1CCC[C@@H]1Cc1cccc(F)c1)OCO2 ZINC000917473886 1319816358 /nfs/dbraw/zinc/81/63/58/1319816358.db2.gz DSTAFEMQBYEZAQ-MRXNPFEDSA-N 1 1 329.371 3.467 10 10 EGCEMO CN(C)c1ccc(/C=C\C[NH2+]Cc2cn(C)nc2Br)cc1 ZINC000922468319 1322534588 /nfs/dbraw/zinc/53/45/88/1322534588.db2.gz STEQEEHSRICCOP-PLNGDYQASA-N 1 1 349.276 3.052 10 10 EGCEMO CCN(CC)c1ccc(C[NH2+]Cc2nc3c(s2)COCC3)cc1 ZINC000922961480 1322662673 /nfs/dbraw/zinc/66/26/73/1322662673.db2.gz GYCVMQZFPCMXHO-UHFFFAOYSA-N 1 1 331.485 3.352 10 10 EGCEMO OC[C@@]1(c2ccccc2)C[C@H]([NH2+]Cc2c(O)ccc(Cl)c2F)C1 ZINC000923007606 1322672709 /nfs/dbraw/zinc/67/27/09/1322672709.db2.gz RETHGFXVKRSEAS-QGGXVJLZSA-N 1 1 335.806 3.367 10 10 EGCEMO Oc1ccccc1C[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C[C@H]1CCCO1 ZINC000923299202 1322728226 /nfs/dbraw/zinc/72/82/26/1322728226.db2.gz ONYCYELQTFJWPS-ZNBHLAFESA-N 1 1 344.499 3.294 10 10 EGCEMO CC[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1cc(Br)ccc1[O-] ZINC000925881944 1325341005 /nfs/dbraw/zinc/34/10/05/1325341005.db2.gz HVSBYPSQHZYSJJ-OSMZGAPFSA-N 1 1 327.266 3.323 10 10 EGCEMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H](C2CC2)[C@H]2CCCOC2)c1 ZINC000927071236 1327842110 /nfs/dbraw/zinc/84/21/10/1327842110.db2.gz XMXBGYSEYHEYDO-XLWVJDPXSA-N 1 1 333.428 3.035 10 10 EGCEMO Cc1cc(Br)c(O)c(C[N@@H+]2C[C@@H]3CCC[C@]3(CO)C2)c1 ZINC000862528595 1329492198 /nfs/dbraw/zinc/49/21/98/1329492198.db2.gz BRMPHLIRNPFYIK-XJKSGUPXSA-N 1 1 340.261 3.058 10 10 EGCEMO Cc1cc(Br)c(O)c(C[N@H+]2C[C@@H]3CCC[C@]3(CO)C2)c1 ZINC000862528595 1329492199 /nfs/dbraw/zinc/49/21/99/1329492199.db2.gz BRMPHLIRNPFYIK-XJKSGUPXSA-N 1 1 340.261 3.058 10 10 EGCEMO c1cc(N2CCOCC2)ccc1C[N@H+]1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC000934830941 1330010025 /nfs/dbraw/zinc/01/00/25/1330010025.db2.gz HJVYJMCMUNYSBJ-WOJBJXKFSA-N 1 1 344.499 3.162 10 10 EGCEMO C[C@H]([NH2+][C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32)c1cccc(C(F)(F)F)c1O ZINC000866447290 1330113605 /nfs/dbraw/zinc/11/36/05/1330113605.db2.gz YWJNISDJTAUNPY-XTFPRXRYSA-N 1 1 327.346 3.485 10 10 EGCEMO O[C@H]1C[N@@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)CC12CC2 ZINC001323732439 1387434625 /nfs/dbraw/zinc/43/46/25/1387434625.db2.gz VYRMNRWRRVNXOD-NRFANRHFSA-N 1 1 334.463 3.206 10 10 EGCEMO CCOC(=O)/C=C/C[N@@H+](CC)Cc1cc(Br)ccc1O ZINC001191269811 1367463924 /nfs/dbraw/zinc/46/39/24/1367463924.db2.gz XDIVRURYARWXNG-AATRIKPKSA-N 1 1 342.233 3.096 10 10 EGCEMO CC1CCN(c2ccc(CNC(=O)[C@@H]3CC[N@H+]3C(C)(C)C)cc2)CC1 ZINC001136705239 1377416350 /nfs/dbraw/zinc/41/63/50/1377416350.db2.gz GHMSOMUICDPWPW-IBGZPJMESA-N 1 1 343.515 3.412 10 10 EGCEMO Cc1cc(Br)c(O)c(C[NH2+][C@H]2CCCC[C@@H]2N(C)C)c1 ZINC001320822557 1386728667 /nfs/dbraw/zinc/72/86/67/1386728667.db2.gz LZLZZGFULWHSHY-GJZGRUSLSA-N 1 1 341.293 3.426 10 10 EGCEMO CC[N@H+](CC=C(C)C)CCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001689970509 1404234642 /nfs/dbraw/zinc/23/46/42/1404234642.db2.gz RJUQJGBOZWELQC-UHFFFAOYSA-N 1 1 345.447 3.257 10 10 EGCEMO CCC(CC)C[N@@H+](C)CCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001716026902 1420483585 /nfs/dbraw/zinc/48/35/85/1420483585.db2.gz ZQBDHZKBURPKBP-UHFFFAOYSA-N 1 1 347.463 3.289 10 10 EGCEMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CCC[C@@H](n3cccn3)C2)c1 ZINC000102393267 454502952 /nfs/dbraw/zinc/50/29/52/454502952.db2.gz YZZUSTGJGOYIEQ-MRXNPFEDSA-N 1 1 329.444 3.429 10 10 EGCEMO c1csc([C@@H]2C[N@H+](Cc3ccc(N4CCOCC4)cc3)CCO2)c1 ZINC000092593960 454592358 /nfs/dbraw/zinc/59/23/58/454592358.db2.gz PNUJJBAAWQIJRK-SFHVURJKSA-N 1 1 344.480 3.158 10 10 EGCEMO c1csc([C@@H]2C[N@@H+](Cc3ccc(N4CCOCC4)cc3)CCO2)c1 ZINC000092593960 454592364 /nfs/dbraw/zinc/59/23/64/454592364.db2.gz PNUJJBAAWQIJRK-SFHVURJKSA-N 1 1 344.480 3.158 10 10 EGCEMO CCOc1cccc(C[N@@H+]2CCO[C@H](c3cccc(O)c3)C2)c1O ZINC000093457757 454716597 /nfs/dbraw/zinc/71/65/97/454716597.db2.gz WAYSXCYWHGHIMW-SFHVURJKSA-N 1 1 329.396 3.070 10 10 EGCEMO CCOc1cccc(C[N@H+]2CCO[C@H](c3cccc(O)c3)C2)c1O ZINC000093457757 454716603 /nfs/dbraw/zinc/71/66/03/454716603.db2.gz WAYSXCYWHGHIMW-SFHVURJKSA-N 1 1 329.396 3.070 10 10 EGCEMO Cc1cc(C(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c(C)n1-c1ccccn1 ZINC000127508831 454971551 /nfs/dbraw/zinc/97/15/51/454971551.db2.gz GCRZTZVWCPXVLW-PBHICJAKSA-N 1 1 340.471 3.044 10 10 EGCEMO Cc1ncsc1CN(C)C[C@H]1CC[N@@H+](Cc2cccc(C)c2O)C1 ZINC000190470538 455326236 /nfs/dbraw/zinc/32/62/36/455326236.db2.gz DFVPPQOEFHZMBL-MRXNPFEDSA-N 1 1 345.512 3.419 10 10 EGCEMO Cc1cc(C[C@H](C)[NH2+][C@@H](C)c2ccc(Br)cc2O)n[nH]1 ZINC000186131502 455699077 /nfs/dbraw/zinc/69/90/77/455699077.db2.gz UXDZAQXTJKFVTC-ONGXEEELSA-N 1 1 338.249 3.468 10 10 EGCEMO Cc1ccc(C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c(O)c1O ZINC000248407309 455713337 /nfs/dbraw/zinc/71/33/37/455713337.db2.gz CVAXFLNCPIHJFH-HZPDHXFCSA-N 1 1 346.471 3.133 10 10 EGCEMO CCOc1ccc(O)c(C[NH2+]Cc2cc(COC(C)(C)C)on2)c1 ZINC000186424406 455765046 /nfs/dbraw/zinc/76/50/46/455765046.db2.gz GBUHABVFPRNUSY-UHFFFAOYSA-N 1 1 334.416 3.384 10 10 EGCEMO COc1ccc([C@H](CO)[N@H+](C)Cc2cc(Cl)c(F)cc2O)cc1 ZINC000295415866 455848562 /nfs/dbraw/zinc/84/85/62/455848562.db2.gz RYCIZQWDOHWNKS-INIZCTEOSA-N 1 1 339.794 3.359 10 10 EGCEMO COc1ccc([C@H](CO)[N@@H+](C)Cc2cc(Cl)c(F)cc2O)cc1 ZINC000295415866 455848567 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CCCN(CCC)c1ccc(C[N@H+]2CC[C@H](n3cncn3)C2)cc1 ZINC000372362832 458290238 /nfs/dbraw/zinc/29/02/38/458290238.db2.gz ABWVOAKKRDCNQR-IBGZPJMESA-N 1 1 327.476 3.352 10 10 EGCEMO Cc1ccc(C)n1-c1ccc(C(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000732034714 575232628 /nfs/dbraw/zinc/23/26/28/575232628.db2.gz GYJGDCLTXFHHPQ-FQEVSTJZSA-N 1 1 337.467 3.403 10 10 EGCEMO Cc1cc(C(=O)N2CC[NH+](C3CC3)CC2)c(C)n1-c1ccc(F)cc1 ZINC000742446748 576785130 /nfs/dbraw/zinc/78/51/30/576785130.db2.gz JXLKINSVRDMUSA-UHFFFAOYSA-N 1 1 341.430 3.153 10 10 EGCEMO CCOc1ccc(O)c(C[N@H+]2CCC[C@@H](CNC(=O)C(C)(C)C)C2)c1 ZINC000093282048 1292914312 /nfs/dbraw/zinc/91/43/12/1292914312.db2.gz CWOLDKWMUKLWNW-HNNXBMFYSA-N 1 1 348.487 3.165 10 10 EGCEMO C[C@@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1cc(Cl)cc(Br)c1[O-] ZINC000708098233 1298235440 /nfs/dbraw/zinc/23/54/40/1298235440.db2.gz FQFNTDLAHPWUGP-NXEZZACHSA-N 1 1 347.684 3.367 10 10 EGCEMO C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1cc(Cl)cc(Br)c1[O-] ZINC000708098233 1298235453 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C[C@@H]([NH2+]CC1(OCCO)CCC(F)(F)CC1)c1ccc(F)cc1O ZINC000858483568 1328775498 /nfs/dbraw/zinc/77/54/98/1328775498.db2.gz SKVWCJFOIYKSSJ-GFCCVEGCSA-N 1 1 347.377 3.139 10 10 EGCEMO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000921054042 1322250115 /nfs/dbraw/zinc/25/01/15/1322250115.db2.gz SEGMQEYMITXFEV-MAUKXSAKSA-N 1 1 344.499 3.398 10 10 EGCEMO Cc1cc(O)c(C[NH2+]Cc2cn(C)nc2Br)c(Cl)c1 ZINC000922467864 1322535039 /nfs/dbraw/zinc/53/50/39/1322535039.db2.gz GQXJTLBHSCICFM-UHFFFAOYSA-N 1 1 344.640 3.140 10 10 EGCEMO CC[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1cc(Br)ccc1[O-] ZINC000925881947 1325341141 /nfs/dbraw/zinc/34/11/41/1325341141.db2.gz HVSBYPSQHZYSJJ-SCDSUCTJSA-N 1 1 327.266 3.323 10 10 EGCEMO Oc1cccc(Br)c1C[N@H+]1CCC[C@H]2COCC[C@H]21 ZINC000862252986 1329472077 /nfs/dbraw/zinc/47/20/77/1329472077.db2.gz YZKLRMJVCKOWIA-SMDDNHRTSA-N 1 1 326.234 3.156 10 10 EGCEMO C[C@@]1(C2CC2)C[N@H+](Cc2c(O)cccc2Br)CCO1 ZINC000862409383 1329483950 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EGCEMO CC/C=C/CC[N@@H+](C)CCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001268260830 1377503514 /nfs/dbraw/zinc/50/35/14/1377503514.db2.gz ZXXANROIKJJQAH-PITQJNJHSA-N 1 1 345.447 3.209 10 10 EGCEMO COc1ccc(N(C)CC[N@@H+](C)CCc2ncc(C)cc2C)cc1 ZINC001307898079 1384053002 /nfs/dbraw/zinc/05/30/02/1384053002.db2.gz XJKCDEJEVIZQPC-UHFFFAOYSA-N 1 1 327.472 3.318 10 10 EGCEMO CCN(C)c1ccc(C[N@H+]2CCOc3ccccc3[C@@H]2CO)cc1 ZINC001308103986 1384092654 /nfs/dbraw/zinc/09/26/54/1384092654.db2.gz AZVABTCDNLSTPD-IBGZPJMESA-N 1 1 326.440 3.071 10 10 EGCEMO CCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001691798699 1405511035 /nfs/dbraw/zinc/51/10/35/1405511035.db2.gz MLUKUONJBCLIFO-INIZCTEOSA-N 1 1 345.447 3.186 10 10 EGCEMO CC/C=C/CC[N@@H+](C)C[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001699476314 1412868978 /nfs/dbraw/zinc/86/89/78/1412868978.db2.gz KXHZFSSFKJFOEF-RPGHOQSFSA-N 1 1 345.447 3.255 10 10 EGCEMO C[N@@H+](CC(=O)NC(C)(C)C)Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000054441809 214238850 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COC1CCN(c2ccc(C[N@H+]3CC[C@H](C)[C@H](OC)C3)cc2)CC1 ZINC000295930628 455863275 /nfs/dbraw/zinc/86/32/75/455863275.db2.gz HEYUAETZRGWPLZ-OXJNMPFZSA-N 1 1 332.488 3.159 10 10 EGCEMO COC(=O)c1ccc(C[N@@H+](Cc2ccc(N(C)C)cc2)C(C)C)nc1 ZINC000286011072 455959289 /nfs/dbraw/zinc/95/92/89/455959289.db2.gz OMTAMGWQWXEOKS-UHFFFAOYSA-N 1 1 341.455 3.345 10 10 EGCEMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H](C)C2CC2)C1 ZINC000435615482 458173038 /nfs/dbraw/zinc/17/30/38/458173038.db2.gz JDUQJPQXKKHJMG-HNNXBMFYSA-N 1 1 339.483 3.323 10 10 EGCEMO CC[C@H]1C[N@@H+](Cc2cc(Cl)cc(C)c2O)C[C@@]2(CCOC2)O1 ZINC000373484795 458506661 /nfs/dbraw/zinc/50/66/61/458506661.db2.gz YDOYLCVEKJNDPN-DOTOQJQBSA-N 1 1 325.836 3.124 10 10 EGCEMO CCC[N@H+](Cc1ccccc1O)C[C@H](O)COc1ccc(C)cc1 ZINC000727830844 574692978 /nfs/dbraw/zinc/69/29/78/574692978.db2.gz QLLXDAFOGYXJPG-SFHVURJKSA-N 1 1 329.440 3.353 10 10 EGCEMO COC(=O)[C@H]1CCC[N@@H+](Cc2c3c(ccc2O)oc2c3CCCC2)C1 ZINC000738055119 576283383 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C[N@H+](Cc1cc(F)cc(F)c1O)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000895477431 1309357709 /nfs/dbraw/zinc/35/77/09/1309357709.db2.gz UQJJNJYAQVHHHM-OAHLLOKOSA-N 1 1 348.349 3.128 10 10 EGCEMO Oc1ccc(Br)cc1C[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000895848464 1309557168 /nfs/dbraw/zinc/55/71/68/1309557168.db2.gz ZMPUOVJCMNWPCF-NHYWBVRUSA-N 1 1 326.234 3.156 10 10 EGCEMO CCc1onc(C)c1C[N@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000929317293 1328566383 /nfs/dbraw/zinc/56/63/83/1328566383.db2.gz YRBMJEQZDNQOIM-UHFFFAOYSA-N 1 1 329.444 3.266 10 10 EGCEMO Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cc(F)c(N(C)C)cc3F)C2)nc1 ZINC000858015342 1328659281 /nfs/dbraw/zinc/65/92/81/1328659281.db2.gz ZKTFMRKAQJXDPX-OAHLLOKOSA-N 1 1 347.409 3.388 10 10 EGCEMO Cc1ccc(O[C@@H]2CC[N@H+](Cc3cc(F)c(N(C)C)cc3F)C2)nc1 ZINC000858015342 1328659284 /nfs/dbraw/zinc/65/92/84/1328659284.db2.gz ZKTFMRKAQJXDPX-OAHLLOKOSA-N 1 1 347.409 3.388 10 10 EGCEMO Oc1ccccc1C[N@H+](Cc1ccco1)C[C@H](O)CCC1(O)CCC1 ZINC000929969748 1328753061 /nfs/dbraw/zinc/75/30/61/1328753061.db2.gz CPMIMDKEWNIFGM-QGZVFWFLSA-N 1 1 345.439 3.044 10 10 EGCEMO Oc1ccc(Cl)cc1C[N@H+]1CCC[C@@H](Nc2nccnc2F)C1 ZINC000858405858 1328754408 /nfs/dbraw/zinc/75/44/08/1328754408.db2.gz STJDALFEFYSWQY-CYBMUJFWSA-N 1 1 336.798 3.051 10 10 EGCEMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CSc2nccs2)CC1 ZINC000919675395 1322092646 /nfs/dbraw/zinc/09/26/46/1322092646.db2.gz DFHWVXPQVXQYER-CQSZACIVSA-N 1 1 347.509 3.141 10 10 EGCEMO Oc1ccc(Cl)c(F)c1C[NH2+]C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000922456419 1322531946 /nfs/dbraw/zinc/53/19/46/1322531946.db2.gz BRTXLBQPSFMDEE-CPCISQLKSA-N 1 1 327.705 3.384 10 10 EGCEMO Oc1ccc(Cl)c(F)c1C[NH2+]C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000922456421 1322531865 /nfs/dbraw/zinc/53/18/65/1322531865.db2.gz BRTXLBQPSFMDEE-HQJQHLMTSA-N 1 1 327.705 3.384 10 10 EGCEMO CCCOc1ccc(C[NH2+]C2(c3ncccn3)CCOCC2)cc1C ZINC000923011131 1322673835 /nfs/dbraw/zinc/67/38/35/1322673835.db2.gz KPDRLHSPUXKFDK-UHFFFAOYSA-N 1 1 341.455 3.369 10 10 EGCEMO Cc1cc(CC[NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)nn1C ZINC000926908776 1327770528 /nfs/dbraw/zinc/77/05/28/1327770528.db2.gz CKVQWFFTPYLPLA-LLVKDONJSA-N 1 1 327.350 3.346 10 10 EGCEMO C[C@@]12COC[C@]1(C)C[N@H+](Cc1c(O)cccc1Br)C2 ZINC000862412165 1329484140 /nfs/dbraw/zinc/48/41/40/1329484140.db2.gz LVAGZFVIPHXQKL-GASCZTMLSA-N 1 1 326.234 3.013 10 10 EGCEMO CCC1([NH+]2CCOCC2)CCN(Cc2cc(Cl)ccc2O)CC1 ZINC000862535677 1329493614 /nfs/dbraw/zinc/49/36/14/1329493614.db2.gz VUBXSNQUSWSZOD-UHFFFAOYSA-N 1 1 338.879 3.122 10 10 EGCEMO C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)c1ccccc1O ZINC000868449150 1330281697 /nfs/dbraw/zinc/28/16/97/1330281697.db2.gz UGGLLCPNMPFACG-POZUXBRTSA-N 1 1 339.439 3.198 10 10 EGCEMO COC(=O)N(C)CC[N@@H+](C)Cc1cc2oc3ccccc3c2cc1O ZINC001118532904 1371194531 /nfs/dbraw/zinc/19/45/31/1371194531.db2.gz ZXELILLQODZXHF-UHFFFAOYSA-N 1 1 342.395 3.422 10 10 EGCEMO CCOC(=O)CC(C)(C)CC(=O)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001140198606 1378030532 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Oc1cccc(Br)c1C[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000862309509 1329475245 /nfs/dbraw/zinc/47/52/45/1329475245.db2.gz RIJNXLQZOONXIH-VIFPVBQESA-N 1 1 336.176 3.358 10 10 EGCEMO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CC[C@@H](C)NC2)c1O ZINC000863546613 1329562503 /nfs/dbraw/zinc/56/25/03/1329562503.db2.gz LQPKQFXOYMGJKJ-NTZNESFSSA-N 1 1 327.266 3.254 10 10 EGCEMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCC23CCOCC3)c1 ZINC000866528885 1330121889 /nfs/dbraw/zinc/12/18/89/1330121889.db2.gz JZKIXMTUKXNLMH-DZGCQCFKSA-N 1 1 333.428 3.036 10 10 EGCEMO C[C@H](NC(=O)NCCC[N@@H+](C)Cc1ccccc1)c1ccccc1O ZINC000868006095 1330239619 /nfs/dbraw/zinc/23/96/19/1330239619.db2.gz GNRIVRVABBADES-INIZCTEOSA-N 1 1 341.455 3.275 10 10 EGCEMO C[C@@H](NC(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1)c1ccccc1O ZINC000868803635 1330347927 /nfs/dbraw/zinc/34/79/27/1330347927.db2.gz QICDEVMHEOEAKC-ZBFHGGJFSA-N 1 1 331.460 3.159 10 10 EGCEMO CC(C)[N@@H+](CC(=O)NCc1ccc(N(C)C)cc1)C1CCCCC1 ZINC001191870727 1367622134 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Cc1cc(C(=O)N2CCC[N@H+]3CCC[C@H]3C2)c(C)n1-c1ccccc1 ZINC000095392650 218323584 /nfs/dbraw/zinc/32/35/84/218323584.db2.gz OEQNYSKMTROIMG-IBGZPJMESA-N 1 1 337.467 3.404 10 10 EGCEMO COc1ccc(O)c(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccccc2)c1 ZINC000180667308 455222177 /nfs/dbraw/zinc/22/21/77/455222177.db2.gz IJEHCCOOSZPCJL-PXNSSMCTSA-N 1 1 327.424 3.489 10 10 EGCEMO CCOc1ccc(O)c(C[N@@H+]2CCO[C@@H](c3nc(C)cs3)C2)c1 ZINC000092790267 454634057 /nfs/dbraw/zinc/63/40/57/454634057.db2.gz DDYAKLGUSVMPDJ-MRXNPFEDSA-N 1 1 334.441 3.129 10 10 EGCEMO CCOc1ccc(O)c(C[N@H+]2CCO[C@@H](c3nc(C)cs3)C2)c1 ZINC000092790267 454634060 /nfs/dbraw/zinc/63/40/60/454634060.db2.gz DDYAKLGUSVMPDJ-MRXNPFEDSA-N 1 1 334.441 3.129 10 10 EGCEMO CC[C@@H]([NH2+][C@H]1CCCn2nc(COC)nc21)c1ccc(N(C)C)cc1 ZINC000125268603 454808848 /nfs/dbraw/zinc/80/88/48/454808848.db2.gz HQTGFRHVSJWNDK-SJORKVTESA-N 1 1 343.475 3.066 10 10 EGCEMO CN(Cc1cccnc1)C[C@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000190490658 455331605 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EGCEMO Cc1cc(C(=O)N[C@H]2CCC[N@H+](C)C2)c(C)n1-c1ccc(F)cc1 ZINC000918709225 1321981610 /nfs/dbraw/zinc/98/16/10/1321981610.db2.gz YNTMWONGRPMUFH-INIZCTEOSA-N 1 1 329.419 3.057 10 10 EGCEMO C[C@@H]1[C@@H](NC(=O)N(Cc2ccccc2O)C2CCCCC2)CC[N@H+]1C ZINC000925326069 1325123203 /nfs/dbraw/zinc/12/32/03/1325123203.db2.gz UKZVQRXNWRYXRT-QAPCUYQASA-N 1 1 345.487 3.329 10 10 EGCEMO c1cc(N2CCOCC2)ccc1C[N@H+]1CCC[C@H](C2CCOCC2)C1 ZINC000933089576 1329861941 /nfs/dbraw/zinc/86/19/41/1329861941.db2.gz UGMJEHDIFVBCLH-FQEVSTJZSA-N 1 1 344.499 3.162 10 10 EGCEMO CCN(C)c1ccc([C@H](C)[NH2+]Cc2nnc(C3CCOCC3)[nH]2)cc1 ZINC000866440720 1330112976 /nfs/dbraw/zinc/11/29/76/1330112976.db2.gz HGPOSPWQPFCVNU-AWEZNQCLSA-N 1 1 343.475 3.006 10 10 EGCEMO Oc1cc2c(cc1C[N@H+](Cc1ccccc1F)CC1CC1)[C@@H](O)CO2 ZINC001118531468 1371194180 /nfs/dbraw/zinc/19/41/80/1371194180.db2.gz GWDBWBLDZRANBR-IBGZPJMESA-N 1 1 343.398 3.369 10 10 EGCEMO CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC001135800921 1377214222 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CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H]2c2c(C)nn(C)c2C)c1O ZINC000175652890 455477129 /nfs/dbraw/zinc/47/71/29/455477129.db2.gz AEXSFNWEYMZFMX-QGZVFWFLSA-N 1 1 345.418 3.421 10 10 EGCEMO Oc1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000294685637 455823922 /nfs/dbraw/zinc/82/39/22/455823922.db2.gz NEHLCTNNLRUPJR-ZDUSSCGKSA-N 1 1 341.732 3.464 10 10 EGCEMO Oc1cc(F)c(Cl)cc1C[N@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000294685637 455823927 /nfs/dbraw/zinc/82/39/27/455823927.db2.gz NEHLCTNNLRUPJR-ZDUSSCGKSA-N 1 1 341.732 3.464 10 10 EGCEMO COc1c(O)c(C[N@H+]2CC[C@H](C(F)(F)F)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000294980158 455834292 /nfs/dbraw/zinc/83/42/92/455834292.db2.gz JSLPJXZKWNXJME-KOLCDFICSA-N 1 1 348.321 3.472 10 10 EGCEMO Cc1noc([C@@H]2CCC[N@H+](Cc3cc(Cl)c(F)cc3O)C2)n1 ZINC000295462298 455849897 /nfs/dbraw/zinc/84/98/97/455849897.db2.gz WACQEZBIRQNHKZ-SNVBAGLBSA-N 1 1 325.771 3.256 10 10 EGCEMO Cc1noc([C@@H]2CCC[N@@H+](Cc3cc(Cl)c(F)cc3O)C2)n1 ZINC000295462298 455849902 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EGCEMO CCOc1ccc(C[N@@H+]2CCc3nc(C(C)C)ncc3C2)c(O)c1 ZINC000527617612 459671060 /nfs/dbraw/zinc/67/10/60/459671060.db2.gz BENNGAMZOWJTTP-UHFFFAOYSA-N 1 1 327.428 3.263 10 10 EGCEMO CCOc1ccc(C[N@H+]2CCc3nc(C(C)C)ncc3C2)c(O)c1 ZINC000527617612 459671064 /nfs/dbraw/zinc/67/10/64/459671064.db2.gz BENNGAMZOWJTTP-UHFFFAOYSA-N 1 1 327.428 3.263 10 10 EGCEMO Cc1cc(Br)c(O)c(C[NH2+][C@@]23C[C@@H]2COC3(C)C)c1 ZINC000527766468 459729174 /nfs/dbraw/zinc/72/91/74/459729174.db2.gz OEWYODORUAULNX-ABAIWWIYSA-N 1 1 326.234 3.120 10 10 EGCEMO CCOc1ccc(O)c(C[NH+]2CCN(Cc3cccs3)CC2)c1 ZINC000119905463 1293293308 /nfs/dbraw/zinc/29/33/08/1293293308.db2.gz CFZTXABJGQDDND-UHFFFAOYSA-N 1 1 332.469 3.170 10 10 EGCEMO Cc1cccc(C[N@H+]2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c1O ZINC000248577494 1296421275 /nfs/dbraw/zinc/42/12/75/1296421275.db2.gz DVCOYBJWJTTXNX-USXIJHARSA-N 1 1 346.471 3.436 10 10 EGCEMO CC(C)(C)OC(=O)N[C@@H](CC(F)F)C[N@@H+]1Cc2cccc(O)c2C1 ZINC000895450109 1309343856 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CCc1onc(C)c1C[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000929824660 1328711638 /nfs/dbraw/zinc/71/16/38/1328711638.db2.gz XSXIFYPDVZOBAG-UHFFFAOYSA-N 1 1 333.407 3.015 10 10 EGCEMO C[C@@H](NC(=O)NC[C@@H]1CC[N@H+]1C1CCCC1)c1ccc(N(C)C)cc1 ZINC000858369733 1328747266 /nfs/dbraw/zinc/74/72/66/1328747266.db2.gz WVKNKKQFFLGOSS-BEFAXECRSA-N 1 1 344.503 3.130 10 10 EGCEMO C[C@@H]([NH2+][C@@H]1CCN(C2CCC2)C1=O)c1cccc(C(F)(F)F)c1O ZINC000858604027 1328807452 /nfs/dbraw/zinc/80/74/52/1328807452.db2.gz ZCNNPINZQRBBBT-QMTHXVAHSA-N 1 1 342.361 3.215 10 10 EGCEMO Cc1cc(C(=O)N[C@H]2CCC[N@H+](C)C2)c(C)n1-c1ccccc1C ZINC000918709196 1321981832 /nfs/dbraw/zinc/98/18/32/1321981832.db2.gz XJHOKDXHPJWAJH-KRWDZBQOSA-N 1 1 325.456 3.227 10 10 EGCEMO COC(=O)c1cc2ccccc2c(C[N@H+]2C[C@@H](C)OC(C)(C)C2)c1O ZINC000920864419 1322228997 /nfs/dbraw/zinc/22/89/97/1322228997.db2.gz VUSBQWDPWZOXHJ-CYBMUJFWSA-N 1 1 343.423 3.331 10 10 EGCEMO CN(C)Cc1csc(C[NH2+]Cc2ccc(N3CCCCC3)cc2)n1 ZINC000922490118 1322541423 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EGCEMO CN(C)c1ccc(CNC(=O)C[N@H+]2CCC3(C2)CCCCC3)cc1 ZINC000741807684 576724218 /nfs/dbraw/zinc/72/42/18/576724218.db2.gz KHGGIPBYSZLUJO-UHFFFAOYSA-N 1 1 329.488 3.025 10 10 EGCEMO CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2cc(Br)ccc2[O-])C1 ZINC000872251786 1296853627 /nfs/dbraw/zinc/85/36/27/1296853627.db2.gz NBPUIMLKBOUHKB-CYBMUJFWSA-N 1 1 327.266 3.023 10 10 EGCEMO CC(=O)N(c1nc(C[NH2+][C@@H](C)c2ccccc2O)cs1)C1CC1 ZINC000877757408 1299534520 /nfs/dbraw/zinc/53/45/20/1299534520.db2.gz YKFYJLSTMCWNOP-NSHDSACASA-N 1 1 331.441 3.215 10 10 EGCEMO COC(=O)c1c(C[N@@H+](C)[C@@H]2CCSC2)c2cc(F)ccc2n1C ZINC000893929032 1306133818 /nfs/dbraw/zinc/13/38/18/1306133818.db2.gz KNDIRZQSLBBTPC-GFCCVEGCSA-N 1 1 336.432 3.041 10 10 EGCEMO COC(=O)c1c(C[NH2+]Cc2scnc2C)c2cc(F)ccc2n1C ZINC000894239301 1306296407 /nfs/dbraw/zinc/29/64/07/1306296407.db2.gz JTOLVPYIXWBIGR-UHFFFAOYSA-N 1 1 347.415 3.159 10 10 EGCEMO Cc1ccc(O[C@@H]2CC[N@H+](Cc3ccc(N(C)C)c(F)c3)C2)nc1 ZINC000858011914 1328658234 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C[C@@H]1C[C@@H](N(C)Cc2c(O)cccc2Br)CC[N@H+]1C ZINC000862248591 1329471141 /nfs/dbraw/zinc/47/11/41/1329471141.db2.gz NNSCHSCZUZXNJW-NEPJUHHUSA-N 1 1 327.266 3.069 10 10 EGCEMO NC1(C[NH2+][C@H](CCc2ccccc2)c2ccccc2O)CCOCC1 ZINC000863542452 1329561723 /nfs/dbraw/zinc/56/17/23/1329561723.db2.gz UMWQMLFKINBQBI-LJQANCHMSA-N 1 1 340.467 3.164 10 10 EGCEMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C2([C@H]3CCCCO3)CCC2)c1 ZINC000866622958 1330134121 /nfs/dbraw/zinc/13/41/21/1330134121.db2.gz KNKLVPDHMMPABA-SUMWQHHRSA-N 1 1 333.428 3.321 10 10 EGCEMO C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1O)c1cc(Br)c(F)cc1O ZINC000866638138 1330136534 /nfs/dbraw/zinc/13/65/34/1330136534.db2.gz CVFVAYISGFCCDA-WQHBLYJGSA-N 1 1 332.213 3.248 10 10 EGCEMO C[C@H](NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)c1ccccc1O ZINC000868449151 1330281766 /nfs/dbraw/zinc/28/17/66/1330281766.db2.gz UGGLLCPNMPFACG-UCLAIMLFSA-N 1 1 339.439 3.198 10 10 EGCEMO CCOc1ccc(N2CC[NH+]([C@@H](C)c3cnc(C)cn3)CC2)cc1 ZINC001324111476 1387543758 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EGCEMO CC(C)(C[C@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2O)C1)C(N)=O ZINC000294762744 455826483 /nfs/dbraw/zinc/82/64/83/455826483.db2.gz JGTDYDCMNFAGLK-LLVKDONJSA-N 1 1 342.842 3.298 10 10 EGCEMO CC(C)(C[C@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1)C(N)=O ZINC000294762744 455826486 /nfs/dbraw/zinc/82/64/86/455826486.db2.gz JGTDYDCMNFAGLK-LLVKDONJSA-N 1 1 342.842 3.298 10 10 EGCEMO Cc1cc(Cl)cc(C[N@H+]2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)c1O ZINC000280596132 456009031 /nfs/dbraw/zinc/00/90/31/456009031.db2.gz XVMAOULKMBTOJM-OGHNNQOOSA-N 1 1 325.836 3.122 10 10 EGCEMO Cc1cc(Cl)cc(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)c1O ZINC000280596128 456009204 /nfs/dbraw/zinc/00/92/04/456009204.db2.gz XVMAOULKMBTOJM-DCGLDWPTSA-N 1 1 325.836 3.122 10 10 EGCEMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H]2CC[C@@H]2C)C1 ZINC000356749351 457147148 /nfs/dbraw/zinc/14/71/48/457147148.db2.gz OTQLCXJKGKVWNI-YJBOKZPZSA-N 1 1 339.483 3.323 10 10 EGCEMO Cc1cc(Br)cc(C[N@H+]2CCC[C@]23CCOC3)c1O ZINC000367040815 457924359 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1 1 343.446 3.399 10 10 EGCEMO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CC[C@@H]2C[C@H](C)C[N@H+]2C1 ZINC001142417313 1378441669 /nfs/dbraw/zinc/44/16/69/1378441669.db2.gz QEZICWYLMLQMPF-ILZDJORESA-N 1 1 343.515 3.222 10 10 EGCEMO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@H]1C[N@H+](C)CC1(C)C ZINC001303989987 1383819553 /nfs/dbraw/zinc/81/95/53/1383819553.db2.gz VHWDEZKXKFROBO-IBGZPJMESA-N 1 1 339.483 3.473 10 10 EGCEMO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H]2[C@H](O)c2ccccc2)c1O ZINC001307986851 1384069002 /nfs/dbraw/zinc/06/90/02/1384069002.db2.gz DBGWMFDVBNWADQ-UYAOXDASSA-N 1 1 343.398 3.432 10 10 EGCEMO CCCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001481510473 1394358694 /nfs/dbraw/zinc/35/86/94/1394358694.db2.gz WSEWZNKAGBCLFB-AWEZNQCLSA-N 1 1 345.447 3.043 10 10 EGCEMO CCC[N@@H+](C)CCN(C(=O)c1ccc(N=NC(N)=O)cc1)C(C)C ZINC001717952820 1421724281 /nfs/dbraw/zinc/72/42/81/1421724281.db2.gz PGVLUIZBXNAZPQ-UHFFFAOYSA-N 1 1 333.436 3.041 10 10 EGCEMO CN(C)c1nc(N2CC=C(c3c[nH]c4cc(F)ccc43)CC2)cc[nH+]1 ZINC000077191928 454072967 /nfs/dbraw/zinc/07/29/67/454072967.db2.gz YYTOUWGXRADHOG-UHFFFAOYSA-N 1 1 337.402 3.457 10 10 EGCEMO CC[C@@H]([NH2+][C@@H](C)c1nnc2n1CCCC2)c1ccc(N(C)C)cc1 ZINC000130973096 454229359 /nfs/dbraw/zinc/22/93/59/454229359.db2.gz FTSRPTADTMFOEN-WMLDXEAASA-N 1 1 327.476 3.482 10 10 EGCEMO CCOc1cccc(C[N@@H+](C)[C@@H]2CCN(c3ccccc3)C2=O)c1O ZINC000093104490 454683594 /nfs/dbraw/zinc/68/35/94/454683594.db2.gz MVENIEFKQFNKTM-QGZVFWFLSA-N 1 1 340.423 3.028 10 10 EGCEMO Oc1ccc(Br)cc1C[N@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000093690493 454729612 /nfs/dbraw/zinc/72/96/12/454729612.db2.gz NBYFCBVBXHHRIT-HNNXBMFYSA-N 1 1 349.228 3.203 10 10 EGCEMO COc1cc(N2CC[NH+]([C@@H](C)c3ccco3)CC2)cc(OC)c1OC ZINC000170602827 454939485 /nfs/dbraw/zinc/93/94/85/454939485.db2.gz DUWMOWFLDZJSCS-AWEZNQCLSA-N 1 1 346.427 3.189 10 10 EGCEMO COc1cc(O)c(C[N@H+]2C[C@@H](C)O[C@H](c3ccccc3)C2)cc1OC ZINC000245512549 455318519 /nfs/dbraw/zinc/31/85/19/455318519.db2.gz AHFFZMCXDPDGFE-VLIAUNLRSA-N 1 1 343.423 3.371 10 10 EGCEMO COc1cc(Cl)cc(C[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1O ZINC000184696734 455430244 /nfs/dbraw/zinc/43/02/44/455430244.db2.gz IVDKAEBTTNANEG-CXAGYDPISA-N 1 1 325.836 3.181 10 10 EGCEMO COc1ccccc1N1CC[C@H]([NH2+][C@H](C)c2ccc(F)cc2O)C1 ZINC000185711885 455602878 /nfs/dbraw/zinc/60/28/78/455602878.db2.gz IRINEXFTGQBCLB-HIFRSBDPSA-N 1 1 330.403 3.469 10 10 EGCEMO C[C@@H]([NH2+][C@H]1CCN(C(=O)C2CCCCC2)C1)c1ccc(F)cc1O ZINC000185762759 455616687 /nfs/dbraw/zinc/61/66/87/455616687.db2.gz NTPBXWXXYNVGQE-CJNGLKHVSA-N 1 1 334.435 3.363 10 10 EGCEMO Cc1cc(C[C@@H](C)[NH2+][C@H](C)c2cc(Br)ccc2O)n[nH]1 ZINC000186130441 455699111 /nfs/dbraw/zinc/69/91/11/455699111.db2.gz OYIXOTVWKQHLHG-MWLCHTKSSA-N 1 1 338.249 3.468 10 10 EGCEMO COc1cccc([C@@H](O)C[NH2+]Cc2cc(Cl)c(F)cc2O)c1 ZINC000293520527 455790263 /nfs/dbraw/zinc/79/02/63/455790263.db2.gz CYTHRIBDABKZLR-INIZCTEOSA-N 1 1 325.767 3.017 10 10 EGCEMO 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MMWBAVHZTADGDJ-IBGZPJMESA-N 1 1 338.451 3.251 10 10 EGCEMO Oc1cccc(Br)c1C[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000895844123 1309552421 /nfs/dbraw/zinc/55/24/21/1309552421.db2.gz METVVMGFEQVVTF-NHYWBVRUSA-N 1 1 326.234 3.156 10 10 EGCEMO Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@H]([C@@H]3CCCO3)C2)c1 ZINC000895848479 1309557366 /nfs/dbraw/zinc/55/73/66/1309557366.db2.gz RJYRZGYFJUJHQO-WFASDCNBSA-N 1 1 340.261 3.464 10 10 EGCEMO Cc1cc(Br)c(O)c(C[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)c1 ZINC000895848479 1309557374 /nfs/dbraw/zinc/55/73/74/1309557374.db2.gz RJYRZGYFJUJHQO-WFASDCNBSA-N 1 1 340.261 3.464 10 10 EGCEMO C[C@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1cc(Br)ccc1[O-] ZINC000925839862 1325323956 /nfs/dbraw/zinc/32/39/56/1325323956.db2.gz FCQYOWLSWYJDMF-IUIKQTSFSA-N 1 1 339.277 3.338 10 10 EGCEMO c1cc(N2CCOCC2)ccc1C[N@H+]1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC000934830937 1330009957 /nfs/dbraw/zinc/00/99/57/1330009957.db2.gz HJVYJMCMUNYSBJ-UXHICEINSA-N 1 1 344.499 3.162 10 10 EGCEMO c1cc(N2CCOCC2)ccc1C[N@H+]1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC000934830939 1330010084 /nfs/dbraw/zinc/01/00/84/1330010084.db2.gz HJVYJMCMUNYSBJ-VQTJNVASSA-N 1 1 344.499 3.162 10 10 EGCEMO CC1CCN(c2ccc(CNC(=O)[C@H]3CC[N@H+]3C(C)(C)C)cc2)CC1 ZINC001136705240 1377416459 /nfs/dbraw/zinc/41/64/59/1377416459.db2.gz GHMSOMUICDPWPW-LJQANCHMSA-N 1 1 343.515 3.412 10 10 EGCEMO CC/C=C\CC[N@@H+](C)CCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001268260829 1377503435 /nfs/dbraw/zinc/50/34/35/1377503435.db2.gz ZXXANROIKJJQAH-OAZBICHTSA-N 1 1 345.447 3.209 10 10 EGCEMO Cc1cc(C[N@H+]2CC[C@@]3(CCOC3=O)C2)ccc1N1CCCCC1 ZINC001177000662 1385770669 /nfs/dbraw/zinc/77/06/69/1385770669.db2.gz AOAIWXJGKBKXOK-HXUWFJFHSA-N 1 1 328.456 3.124 10 10 EGCEMO C[C@H](NC(=O)[C@@H]1CC[C@H]2C[C@@H](C)C[N@H+]2C1)c1ccc(N(C)C)cc1 ZINC001346765258 1390978155 /nfs/dbraw/zinc/97/81/55/1390978155.db2.gz VCQPGEZOSSIJGJ-GFIVTLFCSA-N 1 1 329.488 3.050 10 10 EGCEMO CN(CCC[N@@H+](C)CC1CCC1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001484769321 1395525335 /nfs/dbraw/zinc/52/53/35/1395525335.db2.gz CRKVNWNCMIHCNN-UHFFFAOYSA-N 1 1 345.447 3.043 10 10 EGCEMO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1CCCC[N@H+]1C ZINC001687776660 1396490070 /nfs/dbraw/zinc/49/00/70/1396490070.db2.gz QCLVTOCCMXHTGN-LJQANCHMSA-N 1 1 346.519 3.157 10 10 EGCEMO COc1ccc(O)c(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccccc2)c1 ZINC000245654149 455349263 /nfs/dbraw/zinc/34/92/63/455349263.db2.gz IJEHCCOOSZPCJL-YLJYHZDGSA-N 1 1 327.424 3.489 10 10 EGCEMO NC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000119755712 454217940 /nfs/dbraw/zinc/21/79/40/454217940.db2.gz ICYNKAANBDSIFO-NRFANRHFSA-N 1 1 349.478 3.089 10 10 EGCEMO NC(=O)[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000119755712 454217946 /nfs/dbraw/zinc/21/79/46/454217946.db2.gz ICYNKAANBDSIFO-NRFANRHFSA-N 1 1 349.478 3.089 10 10 EGCEMO O=C1C[C@H](c2ccccc2)[N@@H+](Cc2cc(Cl)ccc2O)CCN1 ZINC000092075722 454518212 /nfs/dbraw/zinc/51/82/12/454518212.db2.gz MYOXKTCRFBNTGN-MRXNPFEDSA-N 1 1 330.815 3.109 10 10 EGCEMO CC[C@H]([NH2+][C@H]1CCCn2nc(COC)nc21)c1ccc(N(C)C)cc1 ZINC000125268369 454808757 /nfs/dbraw/zinc/80/87/57/454808757.db2.gz HQTGFRHVSJWNDK-IRXDYDNUSA-N 1 1 343.475 3.066 10 10 EGCEMO Cc1cc(Cl)cc(C[N@@H+]2CCSC[C@H]2c2cnn(C)c2)c1O ZINC000191734994 455515799 /nfs/dbraw/zinc/51/57/99/455515799.db2.gz MSZGEUNJNQAABE-HNNXBMFYSA-N 1 1 337.876 3.378 10 10 EGCEMO Cc1cc(C[C@@H](C)[NH2+][C@@H](C)c2cc(Br)ccc2O)n[nH]1 ZINC000186130409 455698917 /nfs/dbraw/zinc/69/89/17/455698917.db2.gz OYIXOTVWKQHLHG-KOLCDFICSA-N 1 1 338.249 3.468 10 10 EGCEMO COc1ccc([C@H](O)C[NH2+]Cc2cc(Cl)c(F)cc2O)cc1 ZINC000294202595 455807779 /nfs/dbraw/zinc/80/77/79/455807779.db2.gz KVTLEIMUNNUOHZ-MRXNPFEDSA-N 1 1 325.767 3.017 10 10 EGCEMO COc1ccc(NC(=O)[C@H]2CCC[N@H+]2Cc2cccc(C)c2O)cc1 ZINC000378444399 457397237 /nfs/dbraw/zinc/39/72/37/457397237.db2.gz WRQIVZTZYSBNIB-GOSISDBHSA-N 1 1 340.423 3.312 10 10 EGCEMO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)c1O ZINC000378440687 457397980 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CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1CCCC[N@H+]1C ZINC001687776659 1396489710 /nfs/dbraw/zinc/48/97/10/1396489710.db2.gz QCLVTOCCMXHTGN-IBGZPJMESA-N 1 1 346.519 3.157 10 10 EGCEMO CCCN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@@H]1CC[N@H+](C(C)C)C1 ZINC001691869921 1405592096 /nfs/dbraw/zinc/59/20/96/1405592096.db2.gz RVRVGPHCUYMJKZ-MRXNPFEDSA-N 1 1 345.447 3.184 10 10 EGCEMO CC/C=C\CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001699642281 1413022096 /nfs/dbraw/zinc/02/20/96/1413022096.db2.gz MXCFVAYQNWKCMY-BTVVXOBGSA-N 1 1 343.431 3.009 10 10 EGCEMO C[C@H](CC[NH2+][C@H](C)c1ccc(F)cc1O)NC(=O)OC(C)(C)C ZINC000185979763 455667375 /nfs/dbraw/zinc/66/73/75/455667375.db2.gz GKEDMQDJWUCDHW-VXGBXAGGSA-N 1 1 326.412 3.485 10 10 EGCEMO COc1ccc(N2CCC[N@@H+](C[C@](C)(O)c3ccccc3)CC2)cc1 ZINC000075827370 453928752 /nfs/dbraw/zinc/92/87/52/453928752.db2.gz ZYXVATZAGHNAOU-NRFANRHFSA-N 1 1 340.467 3.115 10 10 EGCEMO CN(CC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](Cc2ccccc2O)CC1 ZINC000190851521 455392088 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Cc1cc(Cl)cc(CN2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)c1O ZINC000179785330 455079465 /nfs/dbraw/zinc/07/94/65/455079465.db2.gz FDINCTGFIGTRDL-AWEZNQCLSA-N 1 1 338.879 3.039 10 10 EGCEMO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3cc(F)ccc3O)C2)n1 ZINC000179938130 455102646 /nfs/dbraw/zinc/10/26/46/455102646.db2.gz JAHCTLFKHAUKPG-AWEZNQCLSA-N 1 1 343.402 3.085 10 10 EGCEMO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H](n3cc(C)cn3)C2)c1O ZINC000175653469 455477802 /nfs/dbraw/zinc/47/78/02/455477802.db2.gz KISXCGQGHOEKFU-MRXNPFEDSA-N 1 1 331.391 3.076 10 10 EGCEMO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H](n3cc(C)cn3)C2)c1O ZINC000175653469 455477807 /nfs/dbraw/zinc/47/78/07/455477807.db2.gz KISXCGQGHOEKFU-MRXNPFEDSA-N 1 1 331.391 3.076 10 10 EGCEMO CCN(CC)c1ccc(C[N@@H+]2CCO[C@H](c3cnn(CC)c3)C2)cc1 ZINC000191717008 455512984 /nfs/dbraw/zinc/51/29/84/455512984.db2.gz JIZWGVNWLWMBSQ-FQEVSTJZSA-N 1 1 342.487 3.323 10 10 EGCEMO CCN(CC)c1ccc(C[N@H+]2CCO[C@H](c3cnn(CC)c3)C2)cc1 ZINC000191717008 455512987 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O=C([C@H]1CCC[N@H+](Cc2c(O)ccc3ccccc32)C1)N1CCCC1 ZINC000732191171 575243453 /nfs/dbraw/zinc/24/34/53/575243453.db2.gz OKFZCTLKUYOSPT-KRWDZBQOSA-N 1 1 338.451 3.380 10 10 EGCEMO c1c(C[NH2+]Cc2ccc(N3CCSCC3)cc2)onc1C1CC1 ZINC000876943528 1299079545 /nfs/dbraw/zinc/07/95/45/1299079545.db2.gz QVOPWBGBYBWVQI-UHFFFAOYSA-N 1 1 329.469 3.395 10 10 EGCEMO COc1ccc(N2CCC[N@@H+](CCCc3cccnc3)CC2)cc1 ZINC000929315893 1328566118 /nfs/dbraw/zinc/56/61/18/1328566118.db2.gz LQCBGYQWLSOHEI-UHFFFAOYSA-N 1 1 325.456 3.235 10 10 EGCEMO C[C@H]1CCCC[N@@H+]1CCNCc1c(O)cccc1Br ZINC000858099068 1328681851 /nfs/dbraw/zinc/68/18/51/1328681851.db2.gz UZHSDEYPBDVYML-LBPRGKRZSA-N 1 1 327.266 3.119 10 10 EGCEMO C[C@H]([NH2+][C@H]1CCN(C)C(C)(C)C1)c1ccc(N2CCOCC2)cc1 ZINC000858108400 1328685027 /nfs/dbraw/zinc/68/50/27/1328685027.db2.gz FGVKNYWYPWIKSJ-WMZOPIPTSA-N 1 1 331.504 3.047 10 10 EGCEMO COCC[N@H+](Cc1c(O)c(C(=O)OC)cc2ccccc21)CC(C)C ZINC000914783790 1319376773 /nfs/dbraw/zinc/37/67/73/1319376773.db2.gz NXNXJUDFRGJHSD-UHFFFAOYSA-N 1 1 345.439 3.436 10 10 EGCEMO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2CNCC3(CCOCC3)C2)c1O ZINC000925793226 1325304276 /nfs/dbraw/zinc/30/42/76/1325304276.db2.gz RHYIJKCSFWMMRM-HIFRSBDPSA-N 1 1 338.879 3.163 10 10 EGCEMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC[C@@H]2CCC3(CCC3)O2)c1 ZINC000927127753 1327880632 /nfs/dbraw/zinc/88/06/32/1327880632.db2.gz JTHFFZYXSMIWDI-HIFRSBDPSA-N 1 1 333.428 3.321 10 10 EGCEMO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2O)CN1 ZINC000863485129 1329557695 /nfs/dbraw/zinc/55/76/95/1329557695.db2.gz VBOFKIMIRZTNHW-QAPCUYQASA-N 1 1 326.440 3.201 10 10 EGCEMO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](Cc3nccs3)C2)c1O ZINC000934332148 1329967506 /nfs/dbraw/zinc/96/75/06/1329967506.db2.gz IEFIDNVAXAOTIF-LBPRGKRZSA-N 1 1 334.416 3.255 10 10 EGCEMO C[C@@H]([NH2+][C@H]1CCN(CC(C)(C)O)C1)c1cc(Cl)c(Cl)cc1O ZINC000866413470 1330108747 /nfs/dbraw/zinc/10/87/47/1330108747.db2.gz RVHIANYCJGVYKO-MNOVXSKESA-N 1 1 347.286 3.195 10 10 EGCEMO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2nnc(C3CCOCC3)[nH]2)cc1 ZINC000866440722 1330113059 /nfs/dbraw/zinc/11/30/59/1330113059.db2.gz HGPOSPWQPFCVNU-CQSZACIVSA-N 1 1 343.475 3.006 10 10 EGCEMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C2([C@@H]3CCCCO3)CCC2)c1 ZINC000866622956 1330134180 /nfs/dbraw/zinc/13/41/80/1330134180.db2.gz KNKLVPDHMMPABA-DYVFJYSZSA-N 1 1 333.428 3.321 10 10 EGCEMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C2([C@@H]3CCCCO3)CCC2)c1 ZINC000866622957 1330134304 /nfs/dbraw/zinc/13/43/04/1330134304.db2.gz KNKLVPDHMMPABA-GUYCJALGSA-N 1 1 333.428 3.321 10 10 EGCEMO CC[C@@H]1C(=O)NCCC[N@@H+]1Cc1ccc(N2CCCCC2)c(C)c1 ZINC001198051310 1368950708 /nfs/dbraw/zinc/95/07/08/1368950708.db2.gz QRMGZUHQHQRBPG-GOSISDBHSA-N 1 1 329.488 3.086 10 10 EGCEMO CC(=O)c1cc(Cl)cc(C[NH2+][C@H](CCO)C2CCCC2)c1O ZINC001198148449 1368968246 /nfs/dbraw/zinc/96/82/46/1368968246.db2.gz ZALHHPDLVIQPRY-MRXNPFEDSA-N 1 1 325.836 3.279 10 10 EGCEMO CC1(C)C[N@@H+](Cc2ccc(N3CCCC3)cc2)C[C@@]2(CCOC2)O1 ZINC001116866199 1370990297 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CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001332723212 1390169309 /nfs/dbraw/zinc/16/93/09/1390169309.db2.gz DLTLMMOXFZUHOY-NRFANRHFSA-N 1 1 341.499 3.121 10 10 EGCEMO CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001353920607 1392108178 /nfs/dbraw/zinc/10/81/78/1392108178.db2.gz YXKMSJVKHFJNFF-IBGZPJMESA-N 1 1 329.488 3.118 10 10 EGCEMO CC/C=C\CC[N@@H+](C)C[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001699476312 1412868805 /nfs/dbraw/zinc/86/88/05/1412868805.db2.gz KXHZFSSFKJFOEF-GTHZXHAMSA-N 1 1 345.447 3.255 10 10 EGCEMO Cc1nc(C[NH2+]Cc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)cs1 ZINC000048234802 132426567 /nfs/dbraw/zinc/42/65/67/132426567.db2.gz FCZZWEQGTCIFMG-BETUJISGSA-N 1 1 349.475 3.494 10 10 EGCEMO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](CN(C)Cc3cccnc3)C2)c1 ZINC000190473154 455327370 /nfs/dbraw/zinc/32/73/70/455327370.db2.gz FCXKUHLIHZXDMF-SFHVURJKSA-N 1 1 325.456 3.050 10 10 EGCEMO CCOc1cccc(C[N@@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)c1O ZINC000245708941 455361945 /nfs/dbraw/zinc/36/19/45/455361945.db2.gz CECAYSRYVVMZEW-YJBOKZPZSA-N 1 1 330.472 3.240 10 10 EGCEMO CCOc1cccc(C[N@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)c1O ZINC000245708941 455361949 /nfs/dbraw/zinc/36/19/49/455361949.db2.gz CECAYSRYVVMZEW-YJBOKZPZSA-N 1 1 330.472 3.240 10 10 EGCEMO COc1ccc(CC[N@@H+](C)CCCOc2ccc(N)cc2)cc1OC ZINC000034647047 453920108 /nfs/dbraw/zinc/92/01/08/453920108.db2.gz VBAIORXXMFEWFZ-UHFFFAOYSA-N 1 1 344.455 3.229 10 10 EGCEMO COc1ccc(N2CCC([N@@H+](C)CCc3ccncc3)CC2)cc1 ZINC000072801193 454342709 /nfs/dbraw/zinc/34/27/09/454342709.db2.gz PQLSIYVAABQNQP-UHFFFAOYSA-N 1 1 325.456 3.234 10 10 EGCEMO COc1cc(O)c(C[N@H+](C)Cc2nc3c(s2)CCCC3)cc1OC ZINC000160349266 455449296 /nfs/dbraw/zinc/44/92/96/455449296.db2.gz MPRWTXZYBDIGTF-UHFFFAOYSA-N 1 1 348.468 3.377 10 10 EGCEMO COc1cc(O)c(C[N@@H+](C)Cc2nc3c(s2)CCCC3)cc1OC ZINC000160349266 455449300 /nfs/dbraw/zinc/44/93/00/455449300.db2.gz MPRWTXZYBDIGTF-UHFFFAOYSA-N 1 1 348.468 3.377 10 10 EGCEMO CCOc1ccc(O)c(C[N@H+]2CC[C@@H](CNc3cccc(C)n3)C2)c1 ZINC000092813352 454640756 /nfs/dbraw/zinc/64/07/56/454640756.db2.gz PTBVDPYRBJJADF-INIZCTEOSA-N 1 1 341.455 3.428 10 10 EGCEMO CCCOc1ccc(C[N@H+]2CC[C@H](Oc3cccnc3)C2)c(O)c1 ZINC000093691499 454730736 /nfs/dbraw/zinc/73/07/36/454730736.db2.gz WOYCEAPVPHCUSE-SFHVURJKSA-N 1 1 328.412 3.229 10 10 EGCEMO c1ncn(C[C@@H]2CCC[N@@H+](Cc3ccc(N4CCCCC4)cc3)C2)n1 ZINC000128461078 455058610 /nfs/dbraw/zinc/05/86/10/455058610.db2.gz DXGBUXYHPXBCLZ-LJQANCHMSA-N 1 1 339.487 3.181 10 10 EGCEMO Cc1cccc(C[N@H+]2CCCN(C(=O)c3cccs3)CC2)c1O ZINC000180239617 455150891 /nfs/dbraw/zinc/15/08/91/455150891.db2.gz LMVZJWQCCIJDGI-UHFFFAOYSA-N 1 1 330.453 3.110 10 10 EGCEMO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3ccc(N4CCCCC4)cc3)[C@H]2C1 ZINC000246095001 455425473 /nfs/dbraw/zinc/42/54/73/455425473.db2.gz IWQVUTBOPSFYLT-HKBOAZHASA-N 1 1 344.499 3.445 10 10 EGCEMO C[C@@H]([NH2+]C[C@H](C)N1CCOCC1)c1cc(Cl)c(Cl)cc1O ZINC000192634759 455658503 /nfs/dbraw/zinc/65/85/03/455658503.db2.gz OXSOMYACFGGRGT-WDEREUQCSA-N 1 1 333.259 3.070 10 10 EGCEMO Oc1cc(F)c(Cl)cc1C[N@H+]1CCSC2(CCOCC2)C1 ZINC000294804544 455828664 /nfs/dbraw/zinc/82/86/64/455828664.db2.gz WEWCYXSYIKADCS-UHFFFAOYSA-N 1 1 331.840 3.283 10 10 EGCEMO Oc1cc(F)c(Cl)cc1C[N@@H+]1CCSC2(CCOCC2)C1 ZINC000294804544 455828658 /nfs/dbraw/zinc/82/86/58/455828658.db2.gz WEWCYXSYIKADCS-UHFFFAOYSA-N 1 1 331.840 3.283 10 10 EGCEMO Cc1cc(Cl)cc(C[N@H+]2CC[C@@](CO)(c3ccccc3)C2)c1O ZINC000291194237 456560466 /nfs/dbraw/zinc/56/04/66/456560466.db2.gz GWAHYDXGBLLFOM-LJQANCHMSA-N 1 1 331.843 3.490 10 10 EGCEMO Cc1cc(Br)c(O)c(C[NH2+]CC[C@@H]2CCCOC2)c1 ZINC000527735467 459719070 /nfs/dbraw/zinc/71/90/70/459719070.db2.gz CQSCWLAHCMZCHI-LBPRGKRZSA-N 1 1 328.250 3.369 10 10 EGCEMO COc1ccc(N2CC[NH+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000057350689 536699655 /nfs/dbraw/zinc/69/96/55/536699655.db2.gz OGPPVMLHZPPSSI-HNNXBMFYSA-N 1 1 341.411 3.487 10 10 EGCEMO CC[N@H+](Cc1c(O)c(C(=O)OC)cc2ccccc21)C[C@@H]1CCOC1 ZINC000738082236 576286141 /nfs/dbraw/zinc/28/61/41/576286141.db2.gz PLUFMNAARGUDNJ-AWEZNQCLSA-N 1 1 343.423 3.190 10 10 EGCEMO COc1ccc(C[N@H+]2CCCN(Cc3ccc(F)cc3)CC2)c(O)c1 ZINC000123181149 1293436514 /nfs/dbraw/zinc/43/65/14/1293436514.db2.gz NVTUOVBSNAOJFD-UHFFFAOYSA-N 1 1 344.430 3.248 10 10 EGCEMO Cc1ccc(O)c(C[N@H+]2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c1 ZINC000184241253 1295181103 /nfs/dbraw/zinc/18/11/03/1295181103.db2.gz CJXHEBTXCXOJCX-UAGQMJEPSA-N 1 1 346.471 3.436 10 10 EGCEMO COc1cc(O)c(C[N@H+]2CCC[C@H](OC3CCC3)CC2)cc1OC ZINC000872262274 1296864421 /nfs/dbraw/zinc/86/44/21/1296864421.db2.gz WOOMXLZJLBASKF-INIZCTEOSA-N 1 1 335.444 3.333 10 10 EGCEMO COC(=O)c1c(C[N@@H+]2CCC[C@@H](OC)CC2)c2cc(F)ccc2n1C ZINC000894441797 1308889350 /nfs/dbraw/zinc/88/93/50/1308889350.db2.gz RFJRATYHPNGBIG-CQSZACIVSA-N 1 1 348.418 3.105 10 10 EGCEMO COc1cc(C)cc(C[N@@H+](C)C2CCN(CC(F)(F)F)CC2)c1O ZINC000894949092 1309133162 /nfs/dbraw/zinc/13/31/62/1309133162.db2.gz UNECSEGYSDUYIL-UHFFFAOYSA-N 1 1 346.393 3.168 10 10 EGCEMO COc1c(O)c(C[NH2+]CC[C@@H]2CCCC2(F)F)ccc1[N+](=O)[O-] ZINC000895545989 1309394997 /nfs/dbraw/zinc/39/49/97/1309394997.db2.gz WHFNUJHECJMALY-NSHDSACASA-N 1 1 330.331 3.224 10 10 EGCEMO Oc1ccc(F)cc1CNc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000895647454 1309446812 /nfs/dbraw/zinc/44/68/12/1309446812.db2.gz OBIXQXGMWMYICR-LJQANCHMSA-N 1 1 341.430 3.428 10 10 EGCEMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896694342 1309976103 /nfs/dbraw/zinc/97/61/03/1309976103.db2.gz XLGPCTCCFYCRFO-CYBMUJFWSA-N 1 1 348.468 3.259 10 10 EGCEMO CCCc1ncc(C[NH2+]Cc2c(O)cccc2Br)o1 ZINC000858174146 1328703461 /nfs/dbraw/zinc/70/34/61/1328703461.db2.gz NIHZQXDRDRUNQM-UHFFFAOYSA-N 1 1 325.206 3.385 10 10 EGCEMO Oc1ccc(Cl)cc1C[N@H+]1CCC[C@H](Nc2nccnc2F)C1 ZINC000858405859 1328754036 /nfs/dbraw/zinc/75/40/36/1328754036.db2.gz STJDALFEFYSWQY-ZDUSSCGKSA-N 1 1 336.798 3.051 10 10 EGCEMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCN2C2CCCCC2)c1 ZINC000858464197 1328768145 /nfs/dbraw/zinc/76/81/45/1328768145.db2.gz IXDSERIHAMZAGI-YOEHRIQHSA-N 1 1 346.471 3.236 10 10 EGCEMO C[C@H]([NH2+]CCOC1CCOCC1)c1cccc(C(F)(F)F)c1O ZINC000927078153 1327848094 /nfs/dbraw/zinc/84/80/94/1327848094.db2.gz GDLHPBMWPYCLDL-NSHDSACASA-N 1 1 333.350 3.257 10 10 EGCEMO CC[C@@H]1[NH2+]CC[C@H]1N[C@@H](C)c1cc(Br)cc(F)c1O ZINC000863543558 1329561893 /nfs/dbraw/zinc/56/18/93/1329561893.db2.gz QTFSVUBNBMXSGU-AQUOVQTQSA-N 1 1 331.229 3.085 10 10 EGCEMO C[C@@H]([NH2+][C@H]1C[C@H](S(=O)(=O)c2ccccc2)C1)c1ccc(F)cc1O ZINC000866516259 1330120901 /nfs/dbraw/zinc/12/09/01/1330120901.db2.gz BSRPYKVASHZOBJ-XNRPHZJLSA-N 1 1 349.427 3.187 10 10 EGCEMO O=C1C[C@@H](c2ccccc2)[N@@H+](Cc2ccc(N3CCCC3)cc2)CCN1 ZINC001116440077 1370910999 /nfs/dbraw/zinc/91/09/99/1370910999.db2.gz KEIRYOPGQWWGMJ-NRFANRHFSA-N 1 1 349.478 3.350 10 10 EGCEMO CCCC[N@@H+](C)[C@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001731719584 1427787149 /nfs/dbraw/zinc/78/71/49/1427787149.db2.gz KWMMVRZFBBDERQ-INIZCTEOSA-N 1 1 345.447 3.186 10 10 EGCEMO CC(C)CCC[N@@H+](C)[C@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001734064154 1437859244 /nfs/dbraw/zinc/85/92/44/1437859244.db2.gz AKORLZNQQNAVRP-CQSZACIVSA-N 1 1 347.463 3.335 10 10 EGCEMO COc1ccc(N2CC[NH+]([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000057350691 132199671 /nfs/dbraw/zinc/19/96/71/132199671.db2.gz OGPPVMLHZPPSSI-OAHLLOKOSA-N 1 1 341.411 3.487 10 10 EGCEMO COc1ccc(N2CCC[N@@H+](Cc3cnn(CC(C)C)c3)CC2)cc1 ZINC000183157794 455241266 /nfs/dbraw/zinc/24/12/66/455241266.db2.gz UKVMLPYVSITVEQ-UHFFFAOYSA-N 1 1 342.487 3.260 10 10 EGCEMO Cc1ccc(C[N@H+](C)Cc2cc(=O)oc3cc(O)c(O)cc23)c(C)c1 ZINC000095385609 454199683 /nfs/dbraw/zinc/19/96/83/454199683.db2.gz ZBTSULZGINGVHN-UHFFFAOYSA-N 1 1 339.391 3.453 10 10 EGCEMO COc1cc(Cl)cc(C[N@@H+](C)CCc2ncc(C)s2)c1O ZINC000184700527 455431415 /nfs/dbraw/zinc/43/14/15/455431415.db2.gz CYWBJPKVGNEFQB-UHFFFAOYSA-N 1 1 326.849 3.494 10 10 EGCEMO COc1cccc(C[N@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)c1O ZINC000122878001 454577588 /nfs/dbraw/zinc/57/75/88/454577588.db2.gz YNWISGHNDRKVKP-INIZCTEOSA-N 1 1 340.423 3.252 10 10 EGCEMO COc1cccc(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)c1O ZINC000093048797 454675078 /nfs/dbraw/zinc/67/50/78/454675078.db2.gz GKRBOZRGBQMIRW-HNNXBMFYSA-N 1 1 327.380 3.467 10 10 EGCEMO CCCOc1ccc(C[N@@H+]2CCO[C@H](c3cccc(O)c3)C2)c(O)c1 ZINC000093457947 454716169 /nfs/dbraw/zinc/71/61/69/454716169.db2.gz KYLPBTADKGLNEO-FQEVSTJZSA-N 1 1 343.423 3.460 10 10 EGCEMO CCCOc1ccc(C[N@H+]2CCO[C@H](c3cccc(O)c3)C2)c(O)c1 ZINC000093457947 454716173 /nfs/dbraw/zinc/71/61/73/454716173.db2.gz KYLPBTADKGLNEO-FQEVSTJZSA-N 1 1 343.423 3.460 10 10 EGCEMO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@H](CC)c1ccc(N(C)C)cc1 ZINC000167811646 454924118 /nfs/dbraw/zinc/92/41/18/454924118.db2.gz CKEFKEFPZPJMEZ-IAGOWNOFSA-N 1 1 327.476 3.482 10 10 EGCEMO CCOC(=O)c1csc(CC[NH2+][C@@H](C)c2ccc(F)cc2O)n1 ZINC000191565211 455498269 /nfs/dbraw/zinc/49/82/69/455498269.db2.gz DVOGWRXQCLOTEO-JTQLQIEISA-N 1 1 338.404 3.058 10 10 EGCEMO Cc1ncsc1CN(C)C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000190469094 455326092 /nfs/dbraw/zinc/32/60/92/455326092.db2.gz XSCUARTWPFVXHJ-AWEZNQCLSA-N 1 1 349.475 3.250 10 10 EGCEMO COc1cc(O)c(C[N@@H+]2C[C@H](C)OC[C@@H]2c2ccccc2)cc1OC ZINC000245548768 455327855 /nfs/dbraw/zinc/32/78/55/455327855.db2.gz YJNIQMVLIBTOAD-WMLDXEAASA-N 1 1 343.423 3.371 10 10 EGCEMO COc1cc(O)c(C[N@H+]2C[C@H](C)OC[C@@H]2c2ccccc2)cc1OC ZINC000245548768 455327862 /nfs/dbraw/zinc/32/78/62/455327862.db2.gz YJNIQMVLIBTOAD-WMLDXEAASA-N 1 1 343.423 3.371 10 10 EGCEMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3ccccc3O)CC[C@H]21 ZINC000292781243 455756532 /nfs/dbraw/zinc/75/65/32/455756532.db2.gz LLBCSRJJSHODDU-GDBMZVCRSA-N 1 1 332.444 3.224 10 10 EGCEMO CCOc1cccc(CC[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)c1 ZINC000278537359 455838748 /nfs/dbraw/zinc/83/87/48/455838748.db2.gz WKICOMQLSBJPCJ-UHFFFAOYSA-N 1 1 346.383 3.040 10 10 EGCEMO COC1CCN(c2ccc(C[N@@H+](C)[C@H]3CCN(C)[C@H](C)C3)cc2)CC1 ZINC000295118272 455840119 /nfs/dbraw/zinc/84/01/19/455840119.db2.gz WJQHMBXHSIVBRV-XLIONFOSSA-N 1 1 345.531 3.216 10 10 EGCEMO CCOc1cccc(C[N@@H+](C)Cc2cc(OC)cc(OC)c2)c1O ZINC000271082348 456120971 /nfs/dbraw/zinc/12/09/71/456120971.db2.gz XBUGTISWKMCIHW-UHFFFAOYSA-N 1 1 331.412 3.440 10 10 EGCEMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)CC(F)F)C1 ZINC000435854459 458213482 /nfs/dbraw/zinc/21/34/82/458213482.db2.gz GWSQCVIRMDMPHZ-UHFFFAOYSA-N 1 1 349.425 3.131 10 10 EGCEMO CC(C)(C)[C@@H]1CN(C(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)c2ccccc21 ZINC000662545339 461291320 /nfs/dbraw/zinc/29/13/20/461291320.db2.gz OVTSATHNPCJGLE-CZUORRHYSA-N 1 1 338.455 3.277 10 10 EGCEMO Oc1cc2c(cc1C[N@H+]1CCC[C@@H]1c1ccc3c(c1)OCO3)OCO2 ZINC000728285714 574735799 /nfs/dbraw/zinc/73/57/99/574735799.db2.gz LWCUAMUZRZQEQI-CQSZACIVSA-N 1 1 341.363 3.187 10 10 EGCEMO COc1ccc2ccc(O)c(C[N@@H+](C)[C@H]3CCN(C4CC4)C3)c2c1 ZINC000732188748 575243017 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EGCEMO CCOc1cccc(C[N@H+]2CCO[C@H](c3nc(C)cs3)C2)c1O ZINC000092789984 454634001 /nfs/dbraw/zinc/63/40/01/454634001.db2.gz IKNGSFHPUYGFOG-HNNXBMFYSA-N 1 1 334.441 3.129 10 10 EGCEMO CCOc1ccc(O)c(C[N@@H+]2CCO[C@@H](c3cccc(O)c3)C2)c1 ZINC000093458021 454716958 /nfs/dbraw/zinc/71/69/58/454716958.db2.gz PJPBGVZGTQDMBN-LJQANCHMSA-N 1 1 329.396 3.070 10 10 EGCEMO CCOc1ccc(O)c(C[N@H+]2CCO[C@@H](c3cccc(O)c3)C2)c1 ZINC000093458021 454716959 /nfs/dbraw/zinc/71/69/59/454716959.db2.gz PJPBGVZGTQDMBN-LJQANCHMSA-N 1 1 329.396 3.070 10 10 EGCEMO COc1ccc(N2CCC[N@H+](Cc3cn4ccsc4n3)CC2)cc1 ZINC000171078941 455026984 /nfs/dbraw/zinc/02/69/84/455026984.db2.gz KLCBTAJQNJXGAB-UHFFFAOYSA-N 1 1 342.468 3.117 10 10 EGCEMO COc1ccc(N2CCC[N@@H+](Cc3cn4ccsc4n3)CC2)cc1 ZINC000171078941 455026990 /nfs/dbraw/zinc/02/69/90/455026990.db2.gz KLCBTAJQNJXGAB-UHFFFAOYSA-N 1 1 342.468 3.117 10 10 EGCEMO CCC[N@@H+](Cc1nc(C(=O)OCC)cs1)Cc1ccccc1O ZINC000292598983 455708376 /nfs/dbraw/zinc/70/83/76/455708376.db2.gz 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COc1ccc(N(C)CC[N@H+](C)CC(=O)Nc2ccc(C)cc2)cc1 ZINC001307898091 1384053593 /nfs/dbraw/zinc/05/35/93/1384053593.db2.gz XVSUQJJOZYQOPT-UHFFFAOYSA-N 1 1 341.455 3.010 10 10 EGCEMO COc1ccc(N(C)CC[N@@H+](C)CC(=O)Nc2ccc(C)cc2)cc1 ZINC001307898091 1384053599 /nfs/dbraw/zinc/05/35/99/1384053599.db2.gz XVSUQJJOZYQOPT-UHFFFAOYSA-N 1 1 341.455 3.010 10 10 EGCEMO CCCN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@H]1CC[N@H+](C(C)C)C1 ZINC001691869920 1405592048 /nfs/dbraw/zinc/59/20/48/1405592048.db2.gz RVRVGPHCUYMJKZ-INIZCTEOSA-N 1 1 345.447 3.184 10 10 EGCEMO CN(CC[N@@H+](C)CC1CCCC1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001716021828 1420476441 /nfs/dbraw/zinc/47/64/41/1420476441.db2.gz AQGQIJWCVBRPCC-UHFFFAOYSA-N 1 1 345.447 3.043 10 10 EGCEMO C[C@H]1CO[C@@H](c2ccccc2)C[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000066795239 453874044 /nfs/dbraw/zinc/87/40/44/453874044.db2.gz YLECFQPEKZOYAR-ORAYPTAESA-N 1 1 327.380 3.083 10 10 EGCEMO C[C@H]1CO[C@@H](c2ccccc2)C[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000066795239 453874048 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OC[C@H](Cc1ccc(F)cc1)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000293753071 455796298 /nfs/dbraw/zinc/79/62/98/455796298.db2.gz YGKLAXMWUQJQNT-ZDUSSCGKSA-N 1 1 327.758 3.017 10 10 EGCEMO Oc1cc(F)c(Cl)cc1C[NH2+]C[C@H]1CCN(CC(F)(F)F)C1 ZINC000294211073 455808897 /nfs/dbraw/zinc/80/88/97/455808897.db2.gz LIAQTZPGFFKSIM-SECBINFHSA-N 1 1 340.748 3.159 10 10 EGCEMO CCCN(CCC)c1ccc(C[N@H+]2CC[C@]3(CNC(=O)C3)C2)cc1 ZINC000279330800 455862181 /nfs/dbraw/zinc/86/21/81/455862181.db2.gz DAUVUWIUOAKHKP-FQEVSTJZSA-N 1 1 329.488 3.025 10 10 EGCEMO CCOc1cccc(C[N@H+]2CC[C@@H](OCc3c(C)noc3C)C2)c1O ZINC000370730504 457708847 /nfs/dbraw/zinc/70/88/47/457708847.db2.gz OOXQXEPISXOWDH-MRXNPFEDSA-N 1 1 346.427 3.187 10 10 EGCEMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@H]2C[C@H]2C)C1 ZINC000443942259 457827333 /nfs/dbraw/zinc/82/73/33/457827333.db2.gz JUQCLOUWUXNXOE-HZPDHXFCSA-N 1 1 339.483 3.180 10 10 EGCEMO CC[C@@H]([NH2+]Cc1cccnc1-n1ccnc1)c1ccc(F)cc1O ZINC000375788769 458064966 /nfs/dbraw/zinc/06/49/66/458064966.db2.gz JUAQQSILSNGWDT-MRXNPFEDSA-N 1 1 326.375 3.353 10 10 EGCEMO Cc1cc(Cl)cc(C[N@H+](C)C2CCN(c3cnccn3)CC2)c1O ZINC000369491310 458236028 /nfs/dbraw/zinc/23/60/28/458236028.db2.gz QXRFJZWLELPZGR-UHFFFAOYSA-N 1 1 346.862 3.245 10 10 EGCEMO C[N@H+](Cc1cc(Cl)cc(Br)c1[O-])CC1CC[NH2+]CC1 ZINC000708098290 1298234356 /nfs/dbraw/zinc/23/43/56/1298234356.db2.gz HBYSIASTDKJLIF-UHFFFAOYSA-N 1 1 347.684 3.240 10 10 EGCEMO COc1ccc2ccc(O)c(C[N@H+]3CC[C@](O)(C(F)(F)F)C3)c2c1 ZINC000191420452 1295679534 /nfs/dbraw/zinc/67/95/34/1295679534.db2.gz OMPREJQRHYNHPY-MRXNPFEDSA-N 1 1 341.329 3.053 10 10 EGCEMO CN(C)[C@H](CC[NH2+]Cc1c(O)ccc(Cl)c1F)C(F)(F)F ZINC000922754470 1322611007 /nfs/dbraw/zinc/61/10/07/1322611007.db2.gz KPOQNCYKPGCIMB-LLVKDONJSA-N 1 1 328.737 3.157 10 10 EGCEMO CC(C)C[NH+]1CCN(Cc2cc(Br)cc(F)c2O)CC1 ZINC000715756174 1298287179 /nfs/dbraw/zinc/28/71/79/1298287179.db2.gz ASTMFYHZBNSRFO-UHFFFAOYSA-N 1 1 345.256 3.067 10 10 EGCEMO CN(C)c1ccc(/C=C\C[N@H+]2CC[C@@](CO)(C(F)(F)F)C2)cc1 ZINC000895836936 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CC1([NH+]2CCC2)CCN(Cc2cccc(Br)c2O)CC1 ZINC000895672330 1309459926 /nfs/dbraw/zinc/45/99/26/1309459926.db2.gz WSJLCEZBBPUMRY-UHFFFAOYSA-N 1 1 339.277 3.215 10 10 EGCEMO C[C@@H]1C[C@@]2(CC[C@@H](C[NH2+]Cc3cc(Cl)c(F)cc3O)O2)CO1 ZINC000895818996 1309535036 /nfs/dbraw/zinc/53/50/36/1309535036.db2.gz HCNKCDZNRNIGDV-XAGWURHQSA-N 1 1 329.799 3.001 10 10 EGCEMO Oc1cc2c(cc1CN1CC[NH+](CCc3cccs3)CC1)CCC2 ZINC000919949740 1322120876 /nfs/dbraw/zinc/12/08/76/1322120876.db2.gz KXNCTLZDTBEGQC-UHFFFAOYSA-N 1 1 342.508 3.303 10 10 EGCEMO C[C@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1ccc(Br)cc1[O-] ZINC000925839517 1325324173 /nfs/dbraw/zinc/32/41/73/1325324173.db2.gz CFEMCJCHBOBZKT-IUIKQTSFSA-N 1 1 339.277 3.338 10 10 EGCEMO COC[C@@H]1CCC[N@@H+](Cc2c(O)cccc2Br)CC1 ZINC000862390554 1329481518 /nfs/dbraw/zinc/48/15/18/1329481518.db2.gz GNLIIFUQMOIGAC-GFCCVEGCSA-N 1 1 328.250 3.403 10 10 EGCEMO CCN(CC)c1ccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)cc1F ZINC000862527538 1329492275 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Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@](C)(CO)C2)c1 ZINC001325136407 1387903259 /nfs/dbraw/zinc/90/32/59/1387903259.db2.gz OFFFROFUBMUXFR-HNNXBMFYSA-N 1 1 328.250 3.058 10 10 EGCEMO Cc1cc(C(=O)N2CC[N@H+](C)[C@H](C)C2)c(C)n1-c1ccccc1C ZINC001146517571 1378858178 /nfs/dbraw/zinc/85/81/78/1378858178.db2.gz RKZXAGHJEVKKLC-MRXNPFEDSA-N 1 1 325.456 3.179 10 10 EGCEMO Cc1cc(C(=O)N2CC[N@@H+](C)[C@H](C)C2)c(C)n1-c1ccccc1C ZINC001146517571 1378858185 /nfs/dbraw/zinc/85/81/85/1378858185.db2.gz RKZXAGHJEVKKLC-MRXNPFEDSA-N 1 1 325.456 3.179 10 10 EGCEMO COc1cc([N+](=O)[O-])c(N2CC[N@@H+](C3CCCC3)[C@@H](C)C2)cc1OC ZINC001307209473 1383957662 /nfs/dbraw/zinc/95/76/62/1383957662.db2.gz BQBKDBKKQRRFFS-ZDUSSCGKSA-N 1 1 349.431 3.065 10 10 EGCEMO CC(=O)N1CC[N@H+](Cc2ccc(N(C)C)cc2C)CC12CCCCC2 ZINC001179950265 1386643242 /nfs/dbraw/zinc/64/32/42/1386643242.db2.gz CCWVAICWNBHNLC-UHFFFAOYSA-N 1 1 343.515 3.428 10 10 EGCEMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)c1 ZINC001329570112 1389160172 /nfs/dbraw/zinc/16/01/72/1389160172.db2.gz DTNQLTCISJEELA-PCGAWMICSA-N 1 1 325.355 3.263 10 10 EGCEMO CCCCC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001713520117 1418261356 /nfs/dbraw/zinc/26/13/56/1418261356.db2.gz NXYNVNQLFYYMRK-INIZCTEOSA-N 1 1 345.447 3.233 10 10 EGCEMO C[N@H+](Cc1ccc(N2CCCCC2)cc1)C[C@@H](O)COC(C)(C)C ZINC000053420222 453877981 /nfs/dbraw/zinc/87/79/81/453877981.db2.gz HCLDMCLKXIDQQN-LJQANCHMSA-N 1 1 334.504 3.285 10 10 EGCEMO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3ccc(N4CCCCC4)cc3)[C@@H]2C1 ZINC000092095488 454520988 /nfs/dbraw/zinc/52/09/88/454520988.db2.gz IWQVUTBOPSFYLT-NJYVYQBISA-N 1 1 344.499 3.445 10 10 EGCEMO O=C1C[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccc(N3CCCCC3)cc2)CN1 ZINC000092104746 454523419 /nfs/dbraw/zinc/52/34/19/454523419.db2.gz KRPGFKJRTWOZOY-QUCCMNQESA-N 1 1 341.499 3.168 10 10 EGCEMO CCOc1cccc(C[N@@H+]2CCO[C@@H](c3cccc(OC)c3)C2)c1O ZINC000093079835 454678878 /nfs/dbraw/zinc/67/88/78/454678878.db2.gz WURXNRCXZLOPRK-LJQANCHMSA-N 1 1 343.423 3.373 10 10 EGCEMO CCOc1cccc(C[N@H+]2CCO[C@@H](c3cccc(OC)c3)C2)c1O ZINC000093079835 454678882 /nfs/dbraw/zinc/67/88/82/454678882.db2.gz WURXNRCXZLOPRK-LJQANCHMSA-N 1 1 343.423 3.373 10 10 EGCEMO CN(C)c1ccc(C[N@H+]2CCCN(C(=O)c3cccs3)CC2)cc1 ZINC000093385673 454710220 /nfs/dbraw/zinc/71/02/20/454710220.db2.gz PKCPMPGEYGQXAZ-UHFFFAOYSA-N 1 1 343.496 3.162 10 10 EGCEMO Cc1csc([C@@H]2CCC[N@@H+](Cc3cc4c(cc3O)OCO4)C2)n1 ZINC000156540147 455130374 /nfs/dbraw/zinc/13/03/74/455130374.db2.gz CZIIORCPFCOUHE-GFCCVEGCSA-N 1 1 332.425 3.265 10 10 EGCEMO Cc1cccc(C[N@@H+]2CC[C@@H](CN(C)Cc3cccnc3)C2)c1O ZINC000190492150 455331274 /nfs/dbraw/zinc/33/12/74/455331274.db2.gz WNNJHSULCVJEOA-SFHVURJKSA-N 1 1 325.456 3.050 10 10 EGCEMO C[C@H](CC[NH2+][C@@H](C)c1ccc(F)cc1O)NC(=O)OC(C)(C)C ZINC000185979731 455667752 /nfs/dbraw/zinc/66/77/52/455667752.db2.gz GKEDMQDJWUCDHW-NEPJUHHUSA-N 1 1 326.412 3.485 10 10 EGCEMO COc1cc(Cl)cc(C[N@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)c1O ZINC000248862079 455735348 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C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]Cc1cccc(F)c1O ZINC000277359668 456795535 /nfs/dbraw/zinc/79/55/35/456795535.db2.gz FELBQPFOGISVAQ-WFASDCNBSA-N 1 1 338.423 3.266 10 10 EGCEMO COc1ccc(O)c(C[N@H+]2CCC[C@]3(C2)OCc2ccccc23)c1 ZINC000363949235 457465945 /nfs/dbraw/zinc/46/59/45/457465945.db2.gz HAYQAIKLIZQBOY-HXUWFJFHSA-N 1 1 325.408 3.422 10 10 EGCEMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2C[C@H](C)[C@@H]2C)C1 ZINC000357528061 457581291 /nfs/dbraw/zinc/58/12/91/457581291.db2.gz AEZLDNWVHRJLRS-HOTGVXAUSA-N 1 1 339.483 3.275 10 10 EGCEMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCCC2)C1 ZINC000436460975 458306474 /nfs/dbraw/zinc/30/64/74/458306474.db2.gz ZIVDPEWGNOXEOR-UHFFFAOYSA-N 1 1 325.456 3.030 10 10 EGCEMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2[C@H](C)C[C@H]2C)C1 ZINC000525939685 459517492 /nfs/dbraw/zinc/51/74/92/459517492.db2.gz CFODEROYOVZQSM-HZPDHXFCSA-N 1 1 339.483 3.417 10 10 EGCEMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC=CCC2)C1 ZINC000683450260 550230500 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COc1cccc(C[N@H+]2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)c1O ZINC000858013522 1328659927 /nfs/dbraw/zinc/65/99/27/1328659927.db2.gz DYHHEJYRCLDYLC-QGZVFWFLSA-N 1 1 340.423 3.327 10 10 EGCEMO COc1ccc(O)c(C[N@H+]2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)c1 ZINC000858016930 1328660966 /nfs/dbraw/zinc/66/09/66/1328660966.db2.gz RZGDTKBETYRGSE-GOSISDBHSA-N 1 1 340.423 3.327 10 10 EGCEMO CC[N@H+](Cc1nn(C)cc1C)Cc1cc(Br)ccc1O ZINC000929755870 1328688035 /nfs/dbraw/zinc/68/80/35/1328688035.db2.gz SJPMRVMBBJMPJW-UHFFFAOYSA-N 1 1 338.249 3.219 10 10 EGCEMO C[N@@H+](Cc1ccc2c(c1)OCCO2)Cc1cc2c(cc1O)CCC2 ZINC000915832134 1319545848 /nfs/dbraw/zinc/54/58/48/1319545848.db2.gz IXTDEZCEHBSUTG-UHFFFAOYSA-N 1 1 325.408 3.284 10 10 EGCEMO CC[C@@H]([NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)c1cccc(Cl)c1[O-] ZINC000925794889 1325304551 /nfs/dbraw/zinc/30/45/51/1325304551.db2.gz VWZFGDOENOYOFJ-CZUORRHYSA-N 1 1 338.879 3.245 10 10 EGCEMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC[C@@H]2CCC3(CCC3)O2)c1 ZINC000927127756 1327880536 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CN1CCN(c2ccc(C[NH2+]CC(C)(C)C(C)(F)F)cc2)CC1 ZINC000865789467 1329738698 /nfs/dbraw/zinc/73/86/98/1329738698.db2.gz CVRYCUZDKWCPKP-UHFFFAOYSA-N 1 1 325.447 3.209 10 10 EGCEMO CC[C@H]1C[N@@H+](Cc2ccc(N3CCCC3)cc2)CCN1CC(F)F ZINC001116444930 1370912997 /nfs/dbraw/zinc/91/29/97/1370912997.db2.gz IDUCLVZAICXHCT-KRWDZBQOSA-N 1 1 337.458 3.448 10 10 EGCEMO CC(C)[C@H](NCc1ccc(N2CC[NH+](C)CC2)c(F)c1)C(F)(F)F ZINC001116741644 1370965446 /nfs/dbraw/zinc/96/54/46/1370965446.db2.gz SRCXGZVIEIJWMZ-INIZCTEOSA-N 1 1 347.400 3.254 10 10 EGCEMO COc1cc2c(cc1O)CC[N@@H+](Cc1ccc(N(C)C)c(C)c1)C2 ZINC001308081534 1384087685 /nfs/dbraw/zinc/08/76/85/1384087685.db2.gz FBQHLAVZYFRSTF-UHFFFAOYSA-N 1 1 326.440 3.334 10 10 EGCEMO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001352943111 1391889363 /nfs/dbraw/zinc/88/93/63/1391889363.db2.gz AQMHUYKWZTVTEM-IBGZPJMESA-N 1 1 331.504 3.362 10 10 EGCEMO CCCCC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001494876585 1396505363 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COc1cc(OC)cc([C@H]2CC[N@@H+](Cc3cccc(OC)c3O)C2)c1 ZINC000093838053 454737244 /nfs/dbraw/zinc/73/72/44/454737244.db2.gz CICKLJTZYYSNEX-AWEZNQCLSA-N 1 1 343.423 3.408 10 10 EGCEMO Cc1cccc(C[N@@H+]2CCCC[C@H]2c2nnc3n2CCCC3)c1O ZINC000179985956 455111173 /nfs/dbraw/zinc/11/11/73/455111173.db2.gz DXTLJUFGSJJOGT-INIZCTEOSA-N 1 1 326.444 3.356 10 10 EGCEMO Cc1cccc(C[N@H+]2CCCC[C@H]2c2nnc3n2CCCC3)c1O ZINC000179985956 455111178 /nfs/dbraw/zinc/11/11/78/455111178.db2.gz DXTLJUFGSJJOGT-INIZCTEOSA-N 1 1 326.444 3.356 10 10 EGCEMO COc1ccc(O)c(C[N@@H+]2CCO[C@H](c3ccc(F)c(C)c3)C2)c1 ZINC000180414574 455165769 /nfs/dbraw/zinc/16/57/69/455165769.db2.gz SJQWKSIEERKAKN-IBGZPJMESA-N 1 1 331.387 3.422 10 10 EGCEMO COc1ccc(O)c(C[N@H+]2CCO[C@H](c3ccc(F)c(C)c3)C2)c1 ZINC000180414574 455165771 /nfs/dbraw/zinc/16/57/71/455165771.db2.gz SJQWKSIEERKAKN-IBGZPJMESA-N 1 1 331.387 3.422 10 10 EGCEMO Cc1ncsc1CN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC000190468584 455326117 /nfs/dbraw/zinc/32/61/17/455326117.db2.gz OPIGFKMHBICOBM-HNNXBMFYSA-N 1 1 331.485 3.111 10 10 EGCEMO CCN(CC)c1ccc(CNC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000174133470 455362729 /nfs/dbraw/zinc/36/27/29/455362729.db2.gz QPDOPYWBHHYWQB-VQIMIIECSA-N 1 1 346.519 3.157 10 10 EGCEMO O=C1CCCCN1C1CC[NH+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000295264144 455843787 /nfs/dbraw/zinc/84/37/87/455843787.db2.gz HCBLVQXYQNHESF-UHFFFAOYSA-N 1 1 340.826 3.162 10 10 EGCEMO N=COc1ccc([C@@H]2C(=N)C(=N)N=C(/N=N/c3ccccn3)C2=[NH2+])cc1 ZINC000299754833 456778785 /nfs/dbraw/zinc/77/87/85/456778785.db2.gz XBBKSCBSRRHRHW-UUBTZTFBSA-N 1 1 346.354 3.364 10 10 EGCEMO CCN(CC)c1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CNC(=O)C2)cc1 ZINC000361106436 457584621 /nfs/dbraw/zinc/58/46/21/457584621.db2.gz UXKWVHOMRZENSE-HKUYNNGSSA-N 1 1 329.488 3.023 10 10 EGCEMO C[C@@H]([NH2+][C@H]1CC[C@@H](C(=O)N2CCCCC2)C1)c1ccc(F)cc1O ZINC000366671903 457882570 /nfs/dbraw/zinc/88/25/70/457882570.db2.gz KBFFCSZUBNRKFA-FMKPAKJESA-N 1 1 334.435 3.363 10 10 EGCEMO CC[C@H](C)NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000435666924 458181482 /nfs/dbraw/zinc/18/14/82/458181482.db2.gz DMVXLHWODPDBCR-HNNXBMFYSA-N 1 1 327.472 3.323 10 10 EGCEMO Cc1cc(Br)c(O)c(C[NH2+][C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)c1 ZINC000527803227 459741756 /nfs/dbraw/zinc/74/17/56/459741756.db2.gz DLQYLIZVKCDSLK-MIJXAVMKSA-N 1 1 328.250 3.365 10 10 EGCEMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccccn2)C1 ZINC000563345114 459764377 /nfs/dbraw/zinc/76/43/77/459764377.db2.gz WIIYEFNREUZNSG-UHFFFAOYSA-N 1 1 348.450 3.442 10 10 EGCEMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000730825830 575025686 /nfs/dbraw/zinc/02/56/86/575025686.db2.gz HOEBYKDPHGGPPP-CALCHBBNSA-N 1 1 346.519 3.157 10 10 EGCEMO Cc1cc(F)ccc1N1CCC[C@@H]([N@@H+](C)Cc2ccccc2O)C1=O ZINC000735309090 575639042 /nfs/dbraw/zinc/63/90/42/575639042.db2.gz FPLVBZJZPWYXEE-GOSISDBHSA-N 1 1 342.414 3.467 10 10 EGCEMO COc1cc(C)cc(C[N@H+]2CCN(C)C[C@@H]2c2ccccc2)c1O ZINC000164114003 1294344136 /nfs/dbraw/zinc/34/41/36/1294344136.db2.gz MGBKYSMMDXUKEE-GOSISDBHSA-N 1 1 326.440 3.198 10 10 EGCEMO COc1cc(C)cc(CN2CC[N@@H+](C)C[C@@H]2c2ccccc2)c1O ZINC000164114003 1294344152 /nfs/dbraw/zinc/34/41/52/1294344152.db2.gz MGBKYSMMDXUKEE-GOSISDBHSA-N 1 1 326.440 3.198 10 10 EGCEMO C[C@@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1ccc(Cl)cc1O ZINC000872119677 1296745387 /nfs/dbraw/zinc/74/53/87/1296745387.db2.gz UNGRLCGTHORCTC-WDFAYWTNSA-N 1 1 343.876 3.052 10 10 EGCEMO Oc1cccc(Br)c1C[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000895844117 1309551640 /nfs/dbraw/zinc/55/16/40/1309551640.db2.gz METVVMGFEQVVTF-ABAIWWIYSA-N 1 1 326.234 3.156 10 10 EGCEMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896881276 1310066925 /nfs/dbraw/zinc/06/69/25/1310066925.db2.gz HBNIMJIFNKRZPD-OLZOCXBDSA-N 1 1 346.452 3.011 10 10 EGCEMO Cc1ccc(O[C@H]2CC[N@H+](Cc3ccc(N(C)C)cc3C)C2)nc1 ZINC000858015089 1328659163 /nfs/dbraw/zinc/65/91/63/1328659163.db2.gz WBXWJFZMNGZIDR-IBGZPJMESA-N 1 1 325.456 3.418 10 10 EGCEMO COc1cccc(C[N@H+]2CC[C@H](Oc3ccc(C4CC4)cn3)C2)c1O ZINC000858013521 1328659295 /nfs/dbraw/zinc/65/92/95/1328659295.db2.gz DYHHEJYRCLDYLC-KRWDZBQOSA-N 1 1 340.423 3.327 10 10 EGCEMO c1ccc(C2=CCC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)nc1 ZINC000930570705 1328900191 /nfs/dbraw/zinc/90/01/91/1328900191.db2.gz SKHNMLHTIXPIGZ-UHFFFAOYSA-N 1 1 335.451 3.208 10 10 EGCEMO C[N@@H+](CCOC1CCOCC1)Cc1ccc(N2CCCCC2)cc1 ZINC000859060803 1328915769 /nfs/dbraw/zinc/91/57/69/1328915769.db2.gz ZCPVJVKQQUTFBG-UHFFFAOYSA-N 1 1 332.488 3.304 10 10 EGCEMO Oc1ccc(Cl)c(F)c1C[NH2+]C[C@@H]1CCC2(CCOCC2)O1 ZINC000922806161 1322622868 /nfs/dbraw/zinc/62/28/68/1322622868.db2.gz FGNGOSYPXDIRBY-NSHDSACASA-N 1 1 329.799 3.003 10 10 EGCEMO C[C@@H]([NH2+][C@@H]1CNCC2(CCOCC2)C1)c1cc2c(cc1O)CCCC2 ZINC000925795390 1325304198 /nfs/dbraw/zinc/30/41/98/1325304198.db2.gz XOKRVTPBJQXTOW-QAPCUYQASA-N 1 1 344.499 3.080 10 10 EGCEMO C[C@H]([NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1)c1cc(Cl)c(Cl)cc1O ZINC000926948705 1327791149 /nfs/dbraw/zinc/79/11/49/1327791149.db2.gz OKZSBKNIGWUKIY-OFYUCFFLSA-N 1 1 332.227 3.154 10 10 EGCEMO C[C@@H]([NH2+][C@@H]1CCc2nnn(C)c2C1)c1cc(Cl)c(Cl)cc1O ZINC000927145215 1327889887 /nfs/dbraw/zinc/88/98/87/1327889887.db2.gz KBXKXTGBPXWWIC-RKDXNWHRSA-N 1 1 341.242 3.036 10 10 EGCEMO Cc1nc(C)c(C[NH2+]Cc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)o1 ZINC000862272833 1329473158 /nfs/dbraw/zinc/47/31/58/1329473158.db2.gz UHXGOOSWQYNDHW-BETUJISGSA-N 1 1 347.434 3.334 10 10 EGCEMO Cc1cc(Br)c(O)c(C[NH2+][C@@H]2CCCn3nccc32)c1 ZINC000865871076 1329747323 /nfs/dbraw/zinc/74/73/23/1329747323.db2.gz CZGVRXAPHJBTBI-CYBMUJFWSA-N 1 1 336.233 3.284 10 10 EGCEMO c1cc(N2CCOCC2)ccc1C[N@H+]1CCCSC[C@@H]1C1CC1 ZINC000933911641 1329932623 /nfs/dbraw/zinc/93/26/23/1329932623.db2.gz DLAFMXIDAJFBLP-LJQANCHMSA-N 1 1 332.513 3.241 10 10 EGCEMO COc1cccc([C@@]2(C)CC[N@@H+](Cc3cc4c(cc3O)OCO4)C2)c1 ZINC001118531694 1371194481 /nfs/dbraw/zinc/19/44/81/1371194481.db2.gz JMOGTSQUURJZJA-FQEVSTJZSA-N 1 1 341.407 3.293 10 10 EGCEMO C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC001141737623 1378368569 /nfs/dbraw/zinc/36/85/69/1378368569.db2.gz BHWLGQNEBYUKPA-ZWNOBZJWSA-N 1 1 345.270 3.436 10 10 EGCEMO CCC[N@@H+](C)CC(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C ZINC001302263301 1383746146 /nfs/dbraw/zinc/74/61/46/1383746146.db2.gz VDTWINPMQXSQSE-UHFFFAOYSA-N 1 1 327.472 3.361 10 10 EGCEMO COc1ccc(N(C)CC[N@H+](C)Cc2cn3c(cccc3C)n2)cc1 ZINC001307896727 1384053462 /nfs/dbraw/zinc/05/34/62/1384053462.db2.gz DOSGSCWRWLWKSX-UHFFFAOYSA-N 1 1 338.455 3.220 10 10 EGCEMO COc1ccc(N(C)CC[N@@H+](C)Cc2cn3c(cccc3C)n2)cc1 ZINC001307896727 1384053465 /nfs/dbraw/zinc/05/34/65/1384053465.db2.gz DOSGSCWRWLWKSX-UHFFFAOYSA-N 1 1 338.455 3.220 10 10 EGCEMO Cc1nc(CN[C@H](C)c2ccc(N3CC[NH+](C)CC3)c(F)c2)cs1 ZINC000065519388 454583064 /nfs/dbraw/zinc/58/30/64/454583064.db2.gz ZOKILEOXROLBSD-CYBMUJFWSA-N 1 1 348.491 3.193 10 10 EGCEMO CCOc1ccc(O)c(C[N@H+]2CCC[C@@H](n3ccnc3CC)C2)c1 ZINC000122938389 454584234 /nfs/dbraw/zinc/58/42/34/454584234.db2.gz WGRVHWFNGLJEKX-MRXNPFEDSA-N 1 1 329.444 3.387 10 10 EGCEMO C[NH+](C)CCOc1ccc(C[NH2+]Cc2c([O-])cccc2Cl)cc1 ZINC000113323725 454923339 /nfs/dbraw/zinc/92/33/39/454923339.db2.gz AOOKFSKILXNNDO-UHFFFAOYSA-N 1 1 334.847 3.276 10 10 EGCEMO CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000179931983 455101120 /nfs/dbraw/zinc/10/11/20/455101120.db2.gz UIJMUWZHUNRZFE-CQSZACIVSA-N 1 1 338.879 3.482 10 10 EGCEMO Cc1nc(CN2CCC[N@@H+](Cc3cc(C)c(C)cc3O)CC2)cs1 ZINC000157239179 455175734 /nfs/dbraw/zinc/17/57/34/455175734.db2.gz VGGXEKGQTAEOOR-UHFFFAOYSA-N 1 1 345.512 3.482 10 10 EGCEMO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3c(O)ccc4ccccc43)[C@H]2C1 ZINC000246450221 455492367 /nfs/dbraw/zinc/49/23/67/455492367.db2.gz IXAXDSVPEJAQSJ-MOXGXCLJSA-N 1 1 327.424 3.314 10 10 EGCEMO CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(Br)cc2[O-])C1 ZINC000185059934 455494419 /nfs/dbraw/zinc/49/44/19/455494419.db2.gz AHOBGVSWSFEXSL-NWDGAFQWSA-N 1 1 327.266 3.147 10 10 EGCEMO CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(Br)cc2[O-])C1 ZINC000185059934 455494423 /nfs/dbraw/zinc/49/44/23/455494423.db2.gz AHOBGVSWSFEXSL-NWDGAFQWSA-N 1 1 327.266 3.147 10 10 EGCEMO CCOc1ccc(O)c(C[N@@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)c1 ZINC000247245306 455577716 /nfs/dbraw/zinc/57/77/16/455577716.db2.gz WYWNARJQEWQEJJ-KXBFYZLASA-N 1 1 330.472 3.240 10 10 EGCEMO CCOc1ccc(O)c(C[N@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)c1 ZINC000247245306 455577719 /nfs/dbraw/zinc/57/77/19/455577719.db2.gz WYWNARJQEWQEJJ-KXBFYZLASA-N 1 1 330.472 3.240 10 10 EGCEMO CN(C)c1ccc(C[N@H+](C)Cc2cn(C)nc2C(F)(F)F)cc1F ZINC000271422113 455631168 /nfs/dbraw/zinc/63/11/68/455631168.db2.gz ZNXDBLYWJFPVLW-UHFFFAOYSA-N 1 1 344.356 3.276 10 10 EGCEMO CN(C)c1ccc(C[N@@H+](C)Cc2cn(C)nc2C(F)(F)F)cc1F ZINC000271422113 455631170 /nfs/dbraw/zinc/63/11/70/455631170.db2.gz ZNXDBLYWJFPVLW-UHFFFAOYSA-N 1 1 344.356 3.276 10 10 EGCEMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)c2cccc(O)c2O)cc1 ZINC000193129128 455744424 /nfs/dbraw/zinc/74/44/24/455744424.db2.gz HNZRLPOPCMJXPC-LBPRGKRZSA-N 1 1 337.379 3.083 10 10 EGCEMO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)c(F)cc2O)[C@@]12CCCO2 ZINC000293706608 455794495 /nfs/dbraw/zinc/79/44/95/455794495.db2.gz UHSYBHGVZHHQPJ-XHSDSOJGSA-N 1 1 329.799 3.001 10 10 EGCEMO COc1c(O)c(C[N@H+]2CC[C@@H](CC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000278431886 455836282 /nfs/dbraw/zinc/83/62/82/455836282.db2.gz UBOBLUCPYYNYIN-VIFPVBQESA-N 1 1 334.294 3.083 10 10 EGCEMO CC[C@H]([NH2+]CCCNC(=O)c1cccs1)c1ccc(F)cc1O ZINC000286281806 456014960 /nfs/dbraw/zinc/01/49/60/456014960.db2.gz VZYOXARVVSSOHO-AWEZNQCLSA-N 1 1 336.432 3.454 10 10 EGCEMO C[N@H+](Cc1ccc(N2CCCCC2)cc1)C[C@@H](O)CC(F)(F)F ZINC000188638407 456101226 /nfs/dbraw/zinc/10/12/26/456101226.db2.gz VDGZRKZDQBBOJR-INIZCTEOSA-N 1 1 330.394 3.422 10 10 EGCEMO C[C@H]([NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O)c1ccc(F)cc1O ZINC000189047635 456211326 /nfs/dbraw/zinc/21/13/26/456211326.db2.gz PRHVTORVMMDOHG-SJCJKPOMSA-N 1 1 346.377 3.122 10 10 EGCEMO CCOc1ccc(O)c(C[N@H+]2CC[C@](O)(c3ccc(F)cc3)C2)c1 ZINC000375033633 457764129 /nfs/dbraw/zinc/76/41/29/457764129.db2.gz AQHCMZNAKUQNLC-LJQANCHMSA-N 1 1 331.387 3.024 10 10 EGCEMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@@H]2C[C@H]2C)C1 ZINC000443942256 457827696 /nfs/dbraw/zinc/82/76/96/457827696.db2.gz JUQCLOUWUXNXOE-CVEARBPZSA-N 1 1 339.483 3.180 10 10 EGCEMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2[C@@H](C)C[C@@H]2C)C1 ZINC000525939684 459518139 /nfs/dbraw/zinc/51/81/39/459518139.db2.gz CFODEROYOVZQSM-HOTGVXAUSA-N 1 1 339.483 3.417 10 10 EGCEMO Cc1cc(Br)c(O)c(C[NH2+][C@]23C[C@H]2COC3(C)C)c1 ZINC000527766471 459728721 /nfs/dbraw/zinc/72/87/21/459728721.db2.gz OEWYODORUAULNX-XHDPSFHLSA-N 1 1 326.234 3.120 10 10 EGCEMO CCC1(CC)CN(C(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)c2ccccc21 ZINC000662506908 461272916 /nfs/dbraw/zinc/27/29/16/461272916.db2.gz OECACHOVEMHUBN-CQSZACIVSA-N 1 1 338.455 3.205 10 10 EGCEMO CC[C@H]1CCCCC[N@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000740423317 574725852 /nfs/dbraw/zinc/72/58/52/574725852.db2.gz GKTLVHMXYHGEKJ-SFHVURJKSA-N 1 1 331.504 3.366 10 10 EGCEMO CCC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000731345286 575067220 /nfs/dbraw/zinc/06/72/20/575067220.db2.gz KZCKQKFMGNMGNZ-SFHVURJKSA-N 1 1 335.467 3.163 10 10 EGCEMO COC[C@H]1CC[N@@H+](CC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)C1 ZINC000739923197 576520308 /nfs/dbraw/zinc/52/03/08/576520308.db2.gz UKJMOQNFNMSMIP-INIZCTEOSA-N 1 1 344.430 3.384 10 10 EGCEMO Cc1cc(Br)cc(C[N@@H+](C)C[C@@H]2CCCCO2)c1O ZINC000124568966 1293479063 /nfs/dbraw/zinc/47/90/63/1293479063.db2.gz CSUMMXGOQGOOGN-AWEZNQCLSA-N 1 1 328.250 3.464 10 10 EGCEMO CCN(CC)c1ccc(C[N@H+]2CC[C@@](CO)(C(F)(F)F)C2)cc1F ZINC000895838028 1309546889 /nfs/dbraw/zinc/54/68/89/1309546889.db2.gz ZLTZFOUGDPKLEZ-MRXNPFEDSA-N 1 1 348.384 3.419 10 10 EGCEMO Oc1cccc(Br)c1C[N@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000895844120 1309552543 /nfs/dbraw/zinc/55/25/43/1309552543.db2.gz METVVMGFEQVVTF-IAQYHMDHSA-N 1 1 326.234 3.156 10 10 EGCEMO CCOc1ccc(O)c(C[N@H+]2CC[C@@H](Oc3ccc(C)cn3)C2)c1 ZINC000858011199 1328656760 /nfs/dbraw/zinc/65/67/60/1328656760.db2.gz KZTNMZVICZJHIB-QGZVFWFLSA-N 1 1 328.412 3.148 10 10 EGCEMO CN(C)Cc1csc(C[NH2+]C/C=C/c2ccc(N(C)C)cc2)n1 ZINC000922487577 1322540691 /nfs/dbraw/zinc/54/06/91/1322540691.db2.gz TYTOJDTVCHUFRV-AATRIKPKSA-N 1 1 330.501 3.074 10 10 EGCEMO Cc1cc(C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)ccc1N1CCCCC1 ZINC000859886805 1329106376 /nfs/dbraw/zinc/10/63/76/1329106376.db2.gz RZAYYUPXHQSDKK-YDIMBITNSA-N 1 1 346.540 3.471 10 10 EGCEMO CC[N@@H+](Cc1ccc(N2CCOCC2)cc1)[C@@H](CO)c1ccccc1 ZINC000931699988 1329166925 /nfs/dbraw/zinc/16/69/25/1329166925.db2.gz CMGJLGFDQRISNV-NRFANRHFSA-N 1 1 340.467 3.079 10 10 EGCEMO CC[C@H]([NH2+]CCCCC[NH+]1CCNCC1)c1cccc(Cl)c1[O-] ZINC000925847737 1325327745 /nfs/dbraw/zinc/32/77/45/1325327745.db2.gz UYWCHLZKMHFKJK-KRWDZBQOSA-N 1 1 339.911 3.162 10 10 EGCEMO Oc1ccc([C@H]2CC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)cc1 ZINC000862540699 1329494115 /nfs/dbraw/zinc/49/41/15/1329494115.db2.gz KEUSPXLLJQMKTA-IBGZPJMESA-N 1 1 338.451 3.218 10 10 EGCEMO CC[C@@H]1[C@@H](C(=O)NCc2cc(Cl)cc(Cl)c2[O-])CC[N@H+]1C ZINC000868358926 1330273670 /nfs/dbraw/zinc/27/36/70/1330273670.db2.gz UZMVWEGIXMPGAR-WCQYABFASA-N 1 1 331.243 3.046 10 10 EGCEMO CC[C@@H]1[C@@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)CC[N@@H+]1C ZINC000868358926 1330273672 /nfs/dbraw/zinc/27/36/72/1330273672.db2.gz UZMVWEGIXMPGAR-WCQYABFASA-N 1 1 331.243 3.046 10 10 EGCEMO CC[C@@H]1[C@@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)CC[N@H+]1C ZINC000868358926 1330273675 /nfs/dbraw/zinc/27/36/75/1330273675.db2.gz UZMVWEGIXMPGAR-WCQYABFASA-N 1 1 331.243 3.046 10 10 EGCEMO C[N@H+](Cc1cc(C(C)(C)C)n[nH]1)Cc1ccc(N2CCOCC2)cc1 ZINC001324759253 1387761833 /nfs/dbraw/zinc/76/18/33/1387761833.db2.gz OVXGAGDNQMLJPK-UHFFFAOYSA-N 1 1 342.487 3.176 10 10 EGCEMO C[N@@H+](Cc1cc(C(C)(C)C)n[nH]1)Cc1ccc(N2CCOCC2)cc1 ZINC001324759253 1387761838 /nfs/dbraw/zinc/76/18/38/1387761838.db2.gz OVXGAGDNQMLJPK-UHFFFAOYSA-N 1 1 342.487 3.176 10 10 EGCEMO Cc1c(NCc2ccc(N3CC[NH+](C)CC3)c(F)c2)n[nH]c1C(C)C ZINC001326490452 1388215378 /nfs/dbraw/zinc/21/53/78/1388215378.db2.gz HMMRLLOJHJATAZ-UHFFFAOYSA-N 1 1 345.466 3.345 10 10 EGCEMO CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC001135800922 1377214666 /nfs/dbraw/zinc/21/46/66/1377214666.db2.gz VRKVLJXDWFCPIZ-SFHVURJKSA-N 1 1 329.488 3.118 10 10 EGCEMO CC(C)c1[nH+]ccn1CC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001136025276 1377303134 /nfs/dbraw/zinc/30/31/34/1377303134.db2.gz DRITXJZBNCWDRF-UHFFFAOYSA-N 1 1 340.471 3.265 10 10 EGCEMO Cc1cc(C(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)c(C)n1-c1ccccc1C ZINC001141197241 1378265635 /nfs/dbraw/zinc/26/56/35/1378265635.db2.gz ZMXKXKXWXBDPFE-XLIONFOSSA-N 1 1 337.467 3.179 10 10 EGCEMO CC[C@@](O)(C[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1)C(F)(F)F ZINC001307424774 1383988358 /nfs/dbraw/zinc/98/83/58/1383988358.db2.gz VLLAZXMUCPEVOH-MRXNPFEDSA-N 1 1 330.394 3.420 10 10 EGCEMO CCN(C)c1ccc(C[N@H+]2CCOc3ccccc3[C@H]2CO)cc1 ZINC001308103988 1384093309 /nfs/dbraw/zinc/09/33/09/1384093309.db2.gz AZVABTCDNLSTPD-LJQANCHMSA-N 1 1 326.440 3.071 10 10 EGCEMO Cc1nc(C[NH2+]Cc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cs1 ZINC000048234804 454460166 /nfs/dbraw/zinc/46/01/66/454460166.db2.gz FCZZWEQGTCIFMG-STQMWFEESA-N 1 1 349.475 3.494 10 10 EGCEMO CCOc1ccc(O)c(C[N@@H+](C)Cc2cn(C)nc2C(F)(F)F)c1 ZINC000092069144 454514190 /nfs/dbraw/zinc/51/41/90/454514190.db2.gz BAKDVDKMJVUXPC-UHFFFAOYSA-N 1 1 343.349 3.175 10 10 EGCEMO COc1cccc(C[N@@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)c1O ZINC000092812167 454637924 /nfs/dbraw/zinc/63/79/24/454637924.db2.gz VMRSMFIOLZKCSE-OAHLLOKOSA-N 1 1 342.443 3.056 10 10 EGCEMO COc1cccc(C[N@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)c1O ZINC000092812167 454637927 /nfs/dbraw/zinc/63/79/27/454637927.db2.gz VMRSMFIOLZKCSE-OAHLLOKOSA-N 1 1 342.443 3.056 10 10 EGCEMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H](Cn3cncn3)C2)cc1 ZINC000128486989 455061306 /nfs/dbraw/zinc/06/13/06/455061306.db2.gz YVQALCXOEIVCKL-GOSISDBHSA-N 1 1 327.476 3.037 10 10 EGCEMO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H]([C@@H](O)c3nccn3C)C2)c1O ZINC000245867636 455388706 /nfs/dbraw/zinc/38/87/06/455388706.db2.gz QQROPMZVNSGDAB-SUMWQHHRSA-N 1 1 349.862 3.033 10 10 EGCEMO Cc1cc(Cl)cc(C[NH+]2CCN(Cc3cccnc3)CC2)c1O ZINC000182055373 455425115 /nfs/dbraw/zinc/42/51/15/455425115.db2.gz DULCUOXLKMJFGW-UHFFFAOYSA-N 1 1 331.847 3.067 10 10 EGCEMO CC1([C@H]2CCC[N@H+](Cc3cc(Cl)c(F)cc3O)C2)OCCO1 ZINC000293499445 455789131 /nfs/dbraw/zinc/78/91/31/455789131.db2.gz BJNJMAPERCBAHU-LBPRGKRZSA-N 1 1 329.799 3.160 10 10 EGCEMO CC1([C@H]2CCC[N@@H+](Cc3cc(Cl)c(F)cc3O)C2)OCCO1 ZINC000293499445 455789136 /nfs/dbraw/zinc/78/91/36/455789136.db2.gz BJNJMAPERCBAHU-LBPRGKRZSA-N 1 1 329.799 3.160 10 10 EGCEMO Cc1cc(C(=O)C[N@H+]2CC[C@H]([C@@H](C)O)C2)c(C)n1-c1ccc(F)cc1 ZINC000272505288 455974060 /nfs/dbraw/zinc/97/40/60/455974060.db2.gz FFLHBCXNXUTSIG-CVEARBPZSA-N 1 1 344.430 3.119 10 10 EGCEMO Cc1cc(C(=O)C[N@@H+]2CC[C@H]([C@@H](C)O)C2)c(C)n1-c1ccc(F)cc1 ZINC000272505288 455974067 /nfs/dbraw/zinc/97/40/67/455974067.db2.gz FFLHBCXNXUTSIG-CVEARBPZSA-N 1 1 344.430 3.119 10 10 EGCEMO C[C@@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1cc(Br)ccc1O ZINC000368102875 458009660 /nfs/dbraw/zinc/00/96/60/458009660.db2.gz QGTNJRGRJSWWQA-MWLCHTKSSA-N 1 1 336.233 3.086 10 10 EGCEMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)C2CC2)C1 ZINC000435527291 458157907 /nfs/dbraw/zinc/15/79/07/458157907.db2.gz RBBOCZMTRYXQKE-UHFFFAOYSA-N 1 1 325.456 3.029 10 10 EGCEMO Cc1cc(Cl)cc(C[N@@H+]2C[C@@H](C)O[C@]3(CCCOC3)C2)c1O ZINC000373634852 458559302 /nfs/dbraw/zinc/55/93/02/458559302.db2.gz GEFSISIJAOKJIM-CXAGYDPISA-N 1 1 325.836 3.124 10 10 EGCEMO CC[N@H+](Cc1cc(Cl)cc(Br)c1[O-])[C@@H]1CCC[NH2+]C1 ZINC000708100099 1298234904 /nfs/dbraw/zinc/23/49/04/1298234904.db2.gz RGVFLCFMQLGKRO-GFCCVEGCSA-N 1 1 347.684 3.382 10 10 EGCEMO CC[N@@H+](Cc1cc(Cl)cc(Br)c1[O-])[C@@H]1CCC[NH2+]C1 ZINC000708100099 1298234911 /nfs/dbraw/zinc/23/49/11/1298234911.db2.gz RGVFLCFMQLGKRO-GFCCVEGCSA-N 1 1 347.684 3.382 10 10 EGCEMO C[NH+](C)CCC[N@@H+](C)Cc1cc(Cl)cc(Br)c1[O-] ZINC000708139128 1298235562 /nfs/dbraw/zinc/23/55/62/1298235562.db2.gz FRIJCMSPDBAPFA-UHFFFAOYSA-N 1 1 335.673 3.192 10 10 EGCEMO C[C@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1cc(Cl)cc(Br)c1[O-] ZINC000708098235 1298235599 /nfs/dbraw/zinc/23/55/99/1298235599.db2.gz FQFNTDLAHPWUGP-VHSXEESVSA-N 1 1 347.684 3.367 10 10 EGCEMO C[C@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1cc(Cl)cc(Br)c1[O-] ZINC000708098235 1298235606 /nfs/dbraw/zinc/23/56/06/1298235606.db2.gz FQFNTDLAHPWUGP-VHSXEESVSA-N 1 1 347.684 3.367 10 10 EGCEMO COc1ccc(N2CCC[N@H+]([C@@H](C)c3snnc3C)CC2)cc1 ZINC000929314427 1328565319 /nfs/dbraw/zinc/56/53/19/1328565319.db2.gz AVGKLIGHWBLMPH-AWEZNQCLSA-N 1 1 332.473 3.128 10 10 EGCEMO CCn1ncc(C[NH2+]Cc2ccc(N(C)Cc3cccs3)cc2)n1 ZINC000858206507 1328711150 /nfs/dbraw/zinc/71/11/50/1328711150.db2.gz MWMWQNUSDIIIFB-UHFFFAOYSA-N 1 1 341.484 3.286 10 10 EGCEMO COc1ccc(OCC[N@@H+](C)Cc2cc3c(cc2O)CCC3)cc1 ZINC000917066388 1319747405 /nfs/dbraw/zinc/74/74/05/1319747405.db2.gz BVDXGPKGJSMCIJ-UHFFFAOYSA-N 1 1 327.424 3.400 10 10 EGCEMO COC[C@@]1(C)C[N@@H+](Cc2c3c(ccc2O)oc2c3CCCC2)CCO1 ZINC000863343314 1329548830 /nfs/dbraw/zinc/54/88/30/1329548830.db2.gz UWITVDJHMGCJKY-HXUWFJFHSA-N 1 1 345.439 3.255 10 10 EGCEMO CC[C@@H]1[NH2+]CC[C@H]1N[C@H](C)c1cc(Br)c(F)cc1O ZINC000863542017 1329561819 /nfs/dbraw/zinc/56/18/19/1329561819.db2.gz DGIHAHIJCXHNDT-OXHMUOHRSA-N 1 1 331.229 3.085 10 10 EGCEMO CC[C@@H]1[C@@H](C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)CC[N@H+]1C ZINC000864637223 1329633235 /nfs/dbraw/zinc/63/32/35/1329633235.db2.gz JZXOQRVXSVYMFS-VQTJNVASSA-N 1 1 343.515 3.366 10 10 EGCEMO c1cc(N2CCOCC2)ccc1C[N@H+]1CCCC[C@H]([C@H]2CCOC2)C1 ZINC000934830935 1330009894 /nfs/dbraw/zinc/00/98/94/1330009894.db2.gz HJVYJMCMUNYSBJ-PMACEKPBSA-N 1 1 344.499 3.162 10 10 EGCEMO C[C@H](NC(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1)c1ccccc1O ZINC000868803634 1330347545 /nfs/dbraw/zinc/34/75/45/1330347545.db2.gz QICDEVMHEOEAKC-HOCLYGCPSA-N 1 1 331.460 3.159 10 10 EGCEMO C[C@H](NC(=O)NC[C@H]1CC[N@H+]1C1CCCCC1)c1ccccc1O ZINC000868803633 1330347904 /nfs/dbraw/zinc/34/79/04/1330347904.db2.gz QICDEVMHEOEAKC-GOEBONIOSA-N 1 1 331.460 3.159 10 10 EGCEMO CC[C@H](C)[C@@H](C)[N@@H+](CC(=O)NCc1ccc(N(C)C)cc1)C1CC1 ZINC001190913676 1367381858 /nfs/dbraw/zinc/38/18/58/1367381858.db2.gz NCBCLETYXHJQID-JKSUJKDBSA-N 1 1 331.504 3.268 10 10 EGCEMO Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)cc1 ZINC001135240926 1376996624 /nfs/dbraw/zinc/99/66/24/1376996624.db2.gz OMMQUBBFPIZUNI-DFQSSKMNSA-N 1 1 337.467 3.164 10 10 EGCEMO CCCCCC[N@H+]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001316994857 1384751335 /nfs/dbraw/zinc/75/13/35/1384751335.db2.gz PNOLUYRFSAPEJO-INIZCTEOSA-N 1 1 345.447 3.233 10 10 EGCEMO Cc1cc(C[N@H+]2CC[C@]3(CCOC3=O)C2)ccc1N1CCCCC1 ZINC001177000660 1385769953 /nfs/dbraw/zinc/76/99/53/1385769953.db2.gz AOAIWXJGKBKXOK-FQEVSTJZSA-N 1 1 328.456 3.124 10 10 EGCEMO c1nnc(C[NH2+]Cc2ccc(N3CCCC3)cc2)n1-c1ccccc1 ZINC001177226616 1385875213 /nfs/dbraw/zinc/87/52/13/1385875213.db2.gz RNMAWXKKGPXCBY-UHFFFAOYSA-N 1 1 333.439 3.157 10 10 EGCEMO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](C)c2nnc3n2CCCC3)cc1 ZINC000130863169 454222423 /nfs/dbraw/zinc/22/24/23/454222423.db2.gz SKPWPLMZTTVAOV-CABCVRRESA-N 1 1 327.476 3.482 10 10 EGCEMO CC[C@@H]([NH2+][C@H](C)c1nnc2n1CCCC2)c1ccc(N(C)C)cc1 ZINC000130973510 454229615 /nfs/dbraw/zinc/22/96/15/454229615.db2.gz FTSRPTADTMFOEN-RHSMWYFYSA-N 1 1 327.476 3.482 10 10 EGCEMO c1ccc(N[C@@H]2CC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)cc1 ZINC000092757906 454626389 /nfs/dbraw/zinc/62/63/89/454626389.db2.gz UBPPCZRQSZEKBX-HXUWFJFHSA-N 1 1 337.467 3.210 10 10 EGCEMO CCOc1cccc(C[N@@H+]2CCO[C@@H](c3cccc(O)c3)C2)c1O ZINC000093457758 454716976 /nfs/dbraw/zinc/71/69/76/454716976.db2.gz WAYSXCYWHGHIMW-GOSISDBHSA-N 1 1 329.396 3.070 10 10 EGCEMO CCOc1cccc(C[N@H+]2CCO[C@@H](c3cccc(O)c3)C2)c1O ZINC000093457758 454716978 /nfs/dbraw/zinc/71/69/78/454716978.db2.gz WAYSXCYWHGHIMW-GOSISDBHSA-N 1 1 329.396 3.070 10 10 EGCEMO COc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)c1 ZINC000179986136 455111092 /nfs/dbraw/zinc/11/10/92/455111092.db2.gz FVHTZAYUQWKXSR-MRXNPFEDSA-N 1 1 342.443 3.056 10 10 EGCEMO COc1ccc(O)c(C[N@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)c1 ZINC000179986136 455111094 /nfs/dbraw/zinc/11/10/94/455111094.db2.gz FVHTZAYUQWKXSR-MRXNPFEDSA-N 1 1 342.443 3.056 10 10 EGCEMO CCOc1cccc(C[N@@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)c1O ZINC000190289990 455293390 /nfs/dbraw/zinc/29/33/90/455293390.db2.gz FSKIPNZPXSDTST-HOTGVXAUSA-N 1 1 333.453 3.060 10 10 EGCEMO Cc1nc(CN2CCC[N@@H+](Cc3cccc(C)c3O)CC2)cs1 ZINC000183450188 455294483 /nfs/dbraw/zinc/29/44/83/455294483.db2.gz JRQDLKRASKLKFV-UHFFFAOYSA-N 1 1 331.485 3.173 10 10 EGCEMO COc1cc(Cl)cc(C[N@H+]2CC[C@@]3(O)CCCC[C@H]3C2)c1O ZINC000248868316 455735823 /nfs/dbraw/zinc/73/58/23/455735823.db2.gz IVDKAEBTTNANEG-GUYCJALGSA-N 1 1 325.836 3.181 10 10 EGCEMO CC(C)(CO)[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)c1cccnc1 ZINC000293518554 455788701 /nfs/dbraw/zinc/78/87/01/455788701.db2.gz ATRADJYIMRWDOV-MRXNPFEDSA-N 1 1 338.810 3.429 10 10 EGCEMO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3O)CC[C@@H]2C1 ZINC000293795299 455796660 /nfs/dbraw/zinc/79/66/60/455796660.db2.gz CWJCATNZPAEBSW-IYBDPMFKSA-N 1 1 346.471 3.471 10 10 EGCEMO COC1CCN(c2ccc(C[N@@H+](C(C)C)[C@H]3CCOC3)cc2)CC1 ZINC000294936860 455833350 /nfs/dbraw/zinc/83/33/50/455833350.db2.gz ACHIBWWAZFLZAB-IBGZPJMESA-N 1 1 332.488 3.301 10 10 EGCEMO Cc1cc(Cl)cc(CN2CC[N@@H+](C3CCOCC3)C[C@H]2C)c1O ZINC000278632918 455842433 /nfs/dbraw/zinc/84/24/33/455842433.db2.gz KYUZSZXZSWCOGU-CQSZACIVSA-N 1 1 338.879 3.039 10 10 EGCEMO Cc1cc(C(=O)C[N@H+]2CC[C@@H]([C@H](C)O)C2)c(C)n1-c1ccc(F)cc1 ZINC000272505307 455973950 /nfs/dbraw/zinc/97/39/50/455973950.db2.gz FFLHBCXNXUTSIG-JKSUJKDBSA-N 1 1 344.430 3.119 10 10 EGCEMO Cc1cc(C(=O)C[N@@H+]2CC[C@@H]([C@H](C)O)C2)c(C)n1-c1ccc(F)cc1 ZINC000272505307 455973957 /nfs/dbraw/zinc/97/39/57/455973957.db2.gz FFLHBCXNXUTSIG-JKSUJKDBSA-N 1 1 344.430 3.119 10 10 EGCEMO CC[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)[C@@H]1O)c1ccc(F)cc1O ZINC000287276651 456065280 /nfs/dbraw/zinc/06/52/80/456065280.db2.gz CRZOYHNLRRBOAP-RPVQJOFSSA-N 1 1 337.435 3.140 10 10 EGCEMO CC[C@H]([NH2+][C@@H]1CCCN(c2cc(C)nn2C)C1)c1ccc(F)cc1O ZINC000287567769 456072530 /nfs/dbraw/zinc/07/25/30/456072530.db2.gz QKYIMAOZAIEFMK-WBVHZDCISA-N 1 1 346.450 3.283 10 10 EGCEMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CC2(C)C)C1 ZINC000444017090 457843097 /nfs/dbraw/zinc/84/30/97/457843097.db2.gz CSPYPJVESALSAN-LJQANCHMSA-N 1 1 339.483 3.323 10 10 EGCEMO CC(=O)NCCC[N@@H+](Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000179642767 1294809212 /nfs/dbraw/zinc/80/92/12/1294809212.db2.gz AOVOJKXTRYAJDK-MRXNPFEDSA-N 1 1 326.440 3.482 10 10 EGCEMO Oc1c(F)cc(F)cc1C[NH2+]C[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000922691213 1322591964 /nfs/dbraw/zinc/59/19/64/1322591964.db2.gz FPUAKXYDSYSFEM-JQWIXIFHSA-N 1 1 325.277 3.260 10 10 EGCEMO CCCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000921054046 1322249975 /nfs/dbraw/zinc/24/99/75/1322249975.db2.gz SEGMQEYMITXFEV-YJBOKZPZSA-N 1 1 344.499 3.398 10 10 EGCEMO CCN(CC)c1ccc(C[NH2+]Cc2nc(CN(C)C)cs2)cc1 ZINC000922489015 1322541428 /nfs/dbraw/zinc/54/14/28/1322541428.db2.gz GNFNRMOWLZKHAG-UHFFFAOYSA-N 1 1 332.517 3.341 10 10 EGCEMO CO[C@]1(C[NH2+]Cc2cc(C)cc(Br)c2O)CCSC1 ZINC000922571521 1322559817 /nfs/dbraw/zinc/55/98/17/1322559817.db2.gz CEPXWXWRPYCOIV-AWEZNQCLSA-N 1 1 346.290 3.075 10 10 EGCEMO C[C@@H]1[C@H](NC(=O)N(Cc2ccccc2O)C2CCCCC2)CC[N@H+]1C ZINC000925326065 1325123689 /nfs/dbraw/zinc/12/36/89/1325123689.db2.gz UKZVQRXNWRYXRT-CRAIPNDOSA-N 1 1 345.487 3.329 10 10 EGCEMO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CNCC3(CCOCC3)C2)c1O ZINC000925793238 1325303586 /nfs/dbraw/zinc/30/35/86/1325303586.db2.gz RHYIJKCSFWMMRM-ZFWWWQNUSA-N 1 1 338.879 3.163 10 10 EGCEMO CC[N@@H+](Cc1cnc(C)o1)Cc1cc(Br)ccc1O ZINC000862251156 1329471404 /nfs/dbraw/zinc/47/14/04/1329471404.db2.gz WJYZGUDZRMBALF-UHFFFAOYSA-N 1 1 325.206 3.473 10 10 EGCEMO Oc1cccc(Br)c1C[N@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000862253295 1329471887 /nfs/dbraw/zinc/47/18/87/1329471887.db2.gz KPJPUXAVTITJBI-STQMWFEESA-N 1 1 340.261 3.403 10 10 EGCEMO Fc1cc(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)ccc1N1CCOCC1 ZINC000862473688 1329489245 /nfs/dbraw/zinc/48/92/45/1329489245.db2.gz XWUUEEYWYZWTLM-CVEARBPZSA-N 1 1 336.476 3.132 10 10 EGCEMO COc1c(O)c(C[N@@H+]2CC[C@H](c3ccc(O)cc3)C2)ccc1[N+](=O)[O-] ZINC000862541080 1329494430 /nfs/dbraw/zinc/49/44/30/1329494430.db2.gz OZRCQDHWTCPIIH-ZDUSSCGKSA-N 1 1 344.367 3.004 10 10 EGCEMO COc1c(O)c(C[N@H+]2CC[C@H](c3ccc(O)cc3)C2)ccc1[N+](=O)[O-] ZINC000862541080 1329494433 /nfs/dbraw/zinc/49/44/33/1329494433.db2.gz OZRCQDHWTCPIIH-ZDUSSCGKSA-N 1 1 344.367 3.004 10 10 EGCEMO O=C1C[C@H](c2ccccc2)[N@@H+](Cc2ccc(N3CCCC3)cc2)CCN1 ZINC001116440078 1370911108 /nfs/dbraw/zinc/91/11/08/1370911108.db2.gz KEIRYOPGQWWGMJ-OAQYLSRUSA-N 1 1 349.478 3.350 10 10 EGCEMO CC1(C)C[N@@H+](Cc2ccc(N3CCCC3)cc2)C[C@]2(CCOC2)O1 ZINC001116866196 1370990062 /nfs/dbraw/zinc/99/00/62/1370990062.db2.gz VTSZQCWQZIPDOF-FQEVSTJZSA-N 1 1 330.472 3.057 10 10 EGCEMO CN(C)c1ccc(C[N@@H+](C)[C@H]2CCCN(c3ccccc3)C2=O)cc1 ZINC001167387288 1383619747 /nfs/dbraw/zinc/61/97/47/1383619747.db2.gz RKVWUNQUFYNNJB-FQEVSTJZSA-N 1 1 337.467 3.380 10 10 EGCEMO C[C@@H]([NH2+]Cc1nc(-c2ccc3c(c2)OCO3)no1)c1ccccc1O ZINC001308009721 1384074828 /nfs/dbraw/zinc/07/48/28/1384074828.db2.gz CWZYMWHSYXNJEE-LLVKDONJSA-N 1 1 339.351 3.022 10 10 EGCEMO CCOc1ccc(N2CC[NH+](Cc3c(C)noc3CC)CC2)cc1 ZINC001333145366 1390256474 /nfs/dbraw/zinc/25/64/74/1390256474.db2.gz XHYVZWQJYLBLFV-UHFFFAOYSA-N 1 1 329.444 3.266 10 10 EGCEMO CN1CCN(c2ccc(C[N@H+]3CC[C@H]4CC[C@@H](C3)S4)cc2F)CC1 ZINC001335328451 1390672709 /nfs/dbraw/zinc/67/27/09/1390672709.db2.gz ABHWAKRCTXWLDS-SJORKVTESA-N 1 1 349.519 3.047 10 10 EGCEMO C[N@@H+](CCNC(=O)c1ccc(N=NC(N)=O)cc1)CC1=CCCCC1 ZINC001714574698 1419309064 /nfs/dbraw/zinc/30/90/64/1419309064.db2.gz VVIDLDLQSYCVHL-UHFFFAOYSA-N 1 1 343.431 3.011 10 10 EGCEMO COc1cccc(C[N@H+](CCN(C)C)Cc2ccccc2C)c1O ZINC000055154573 214280664 /nfs/dbraw/zinc/28/06/64/214280664.db2.gz TUBSTKAGDBQHSV-UHFFFAOYSA-N 1 1 328.456 3.273 10 10 EGCEMO COc1cccc(C[N@@H+](CCN(C)C)Cc2ccccc2C)c1O ZINC000055154573 214280667 /nfs/dbraw/zinc/28/06/67/214280667.db2.gz TUBSTKAGDBQHSV-UHFFFAOYSA-N 1 1 328.456 3.273 10 10 EGCEMO CCOc1cccc(C[N@H+]2CCC[C@H](n3ccnc3CC)C2)c1O ZINC000122882633 454578896 /nfs/dbraw/zinc/57/88/96/454578896.db2.gz UBJWWGNSSLHJMM-INIZCTEOSA-N 1 1 329.444 3.387 10 10 EGCEMO C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000185115619 455504291 /nfs/dbraw/zinc/50/42/91/455504291.db2.gz RPCPOJJVMMZYSG-RYUDHWBXSA-N 1 1 347.286 3.196 10 10 EGCEMO Cc1nc(C)n(C[C@@H]2CCC[N@@H+](Cc3cc(Cl)cc(C)c3O)C2)n1 ZINC000180121559 455135289 /nfs/dbraw/zinc/13/52/89/455135289.db2.gz SVYLMSGBPUTADX-OAHLLOKOSA-N 1 1 348.878 3.475 10 10 EGCEMO CC(C)(C[C@@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2O)C1)C(N)=O ZINC000294762747 455826423 /nfs/dbraw/zinc/82/64/23/455826423.db2.gz JGTDYDCMNFAGLK-NSHDSACASA-N 1 1 342.842 3.298 10 10 EGCEMO CC(C)(C[C@@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1)C(N)=O ZINC000294762747 455826427 /nfs/dbraw/zinc/82/64/27/455826427.db2.gz JGTDYDCMNFAGLK-NSHDSACASA-N 1 1 342.842 3.298 10 10 EGCEMO COC1CCN(c2ccc(C[N@H+]3CC[C@H](C)[C@@H](OC)C3)cc2)CC1 ZINC000295930624 455863614 /nfs/dbraw/zinc/86/36/14/455863614.db2.gz HEYUAETZRGWPLZ-JXFKEZNVSA-N 1 1 332.488 3.159 10 10 EGCEMO CC1(C)C[N@@H+](Cc2c(O)ccc3ccccc32)C[C@]2(CCOC2)O1 ZINC000280194557 455913703 /nfs/dbraw/zinc/91/37/03/455913703.db2.gz HPLPFIIYSWEFBD-FQEVSTJZSA-N 1 1 327.424 3.315 10 10 EGCEMO CC[C@@H]([NH2+][C@@H]1CCCN(c2cc(C)nn2C)C1)c1ccc(F)cc1O ZINC000287567760 456072132 /nfs/dbraw/zinc/07/21/32/456072132.db2.gz QKYIMAOZAIEFMK-NVXWUHKLSA-N 1 1 346.450 3.283 10 10 EGCEMO Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c1O ZINC000289593694 456132200 /nfs/dbraw/zinc/13/22/00/456132200.db2.gz KMVDSYWRNLIWGN-WCQYABFASA-N 1 1 337.769 3.347 10 10 EGCEMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H]2CC[C@H]2C)C1 ZINC000356749350 457147343 /nfs/dbraw/zinc/14/73/43/457147343.db2.gz OTQLCXJKGKVWNI-QAPCUYQASA-N 1 1 339.483 3.323 10 10 EGCEMO O=C1C[C@H]([C@@H]2CCCC[N@H+]2Cc2ccc(N3CCCCC3)cc2)CN1 ZINC000360809558 457363869 /nfs/dbraw/zinc/36/38/69/457363869.db2.gz KRPGFKJRTWOZOY-ICSRJNTNSA-N 1 1 341.499 3.168 10 10 EGCEMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H]2CC2(C)C)C1 ZINC000444017089 457842832 /nfs/dbraw/zinc/84/28/32/457842832.db2.gz CSPYPJVESALSAN-IBGZPJMESA-N 1 1 339.483 3.323 10 10 EGCEMO Oc1ccc(Br)cc1C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000367438455 457954739 /nfs/dbraw/zinc/95/47/39/457954739.db2.gz NBZCOVHHXHBGNB-HNNXBMFYSA-N 1 1 326.234 3.157 10 10 EGCEMO CCC[N@H+]1CCC[C@@H]1C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000731345285 575067280 /nfs/dbraw/zinc/06/72/80/575067280.db2.gz KZCKQKFMGNMGNZ-GOSISDBHSA-N 1 1 335.467 3.163 10 10 EGCEMO CCOC(=O)CC[C@@H]1CCC[N@@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000164596320 1294351537 /nfs/dbraw/zinc/35/15/37/1294351537.db2.gz HGVIJSWKFQGIQL-HNNXBMFYSA-N 1 1 335.444 3.265 10 10 EGCEMO COc1cc(O)c(C[N@@H+](C)[C@H](C)Cc2ccc(O)cc2)cc1OC ZINC000180192640 1294868738 /nfs/dbraw/zinc/86/87/38/1294868738.db2.gz YYMNRUYHJZRENM-CYBMUJFWSA-N 1 1 331.412 3.178 10 10 EGCEMO Cc1cccc(C[N@H+]2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c1O ZINC000184241183 1295182002 /nfs/dbraw/zinc/18/20/02/1295182002.db2.gz DVCOYBJWJTTXNX-UAGQMJEPSA-N 1 1 346.471 3.436 10 10 EGCEMO COc1cc(C)cc(C[N@@H+]2Cc3cccnc3N3CCC[C@H]3C2)c1O ZINC000895462771 1309350544 /nfs/dbraw/zinc/35/05/44/1309350544.db2.gz WRJKZEAYIZASOT-KRWDZBQOSA-N 1 1 339.439 3.089 10 10 EGCEMO COc1cc(Br)cc(C[N@H+]2C[C@@H](OC)CC[C@@H]2C)c1O ZINC000895945275 1309604833 /nfs/dbraw/zinc/60/48/33/1309604833.db2.gz IPLOWWUFALJCPK-GWCFXTLKSA-N 1 1 344.249 3.163 10 10 EGCEMO Cc1[nH+]ccn1CCCCNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896643941 1309951817 /nfs/dbraw/zinc/95/18/17/1309951817.db2.gz VMOKPWOPZBGQHU-UHFFFAOYSA-N 1 1 345.424 3.028 10 10 EGCEMO C[C@@H]1CCCC[N@@H+]1CCNCc1c(O)cccc1Br ZINC000858099067 1328681541 /nfs/dbraw/zinc/68/15/41/1328681541.db2.gz UZHSDEYPBDVYML-GFCCVEGCSA-N 1 1 327.266 3.119 10 10 EGCEMO Cc1cc(C(=O)CN2CCC[N@H+](C)CC2)c(C)n1-c1ccc(F)cc1 ZINC000916644995 1319690706 /nfs/dbraw/zinc/69/07/06/1319690706.db2.gz JPDGWMIUSUNXHK-UHFFFAOYSA-N 1 1 343.446 3.053 10 10 EGCEMO Cc1cc(C(=O)N[C@@H]2CCC[N@H+](C)C2)c(C)n1-c1cccc(C)c1 ZINC000918708044 1321981570 /nfs/dbraw/zinc/98/15/70/1321981570.db2.gz HNTWESSOHXYLTJ-QGZVFWFLSA-N 1 1 325.456 3.227 10 10 EGCEMO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CSc2nccs2)CC1 ZINC000919675393 1322092726 /nfs/dbraw/zinc/09/27/26/1322092726.db2.gz DFHWVXPQVXQYER-AWEZNQCLSA-N 1 1 347.509 3.141 10 10 EGCEMO Cc1cnc(Cl)c(CNCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000922333603 1322503781 /nfs/dbraw/zinc/50/37/81/1322503781.db2.gz SRXTUMNMSZXHLL-UHFFFAOYSA-N 1 1 344.890 3.085 10 10 EGCEMO C[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)c1cc(Br)cc(Cl)c1[O-] ZINC000925786755 1325303182 /nfs/dbraw/zinc/30/31/82/1325303182.db2.gz VVZMWDCBJMAFAS-DNSOKLHBSA-N 1 1 333.657 3.067 10 10 EGCEMO Cc1cc(C[NH2+]Cc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)on1 ZINC000865418013 1329694509 /nfs/dbraw/zinc/69/45/09/1329694509.db2.gz GFOILAYIMXDYNB-ZIAGYGMSSA-N 1 1 333.407 3.026 10 10 EGCEMO Cc1cc(C[N@H+]2CCNC(=O)CC2(C)C)ccc1N1CCCCC1 ZINC001308003249 1384072911 /nfs/dbraw/zinc/07/29/11/1384072911.db2.gz UJPBKLBWFLBNOI-UHFFFAOYSA-N 1 1 329.488 3.086 10 10 EGCEMO Cc1cc(Br)c(O)c(C[NH2+][C@@H]2CCCC[C@H]2N(C)C)c1 ZINC001320822559 1386729117 /nfs/dbraw/zinc/72/91/17/1386729117.db2.gz LZLZZGFULWHSHY-HUUCEWRRSA-N 1 1 341.293 3.426 10 10 EGCEMO CC(C)[N@@H+](CCCNC(=O)c1ccc(N=NC(N)=O)cc1)CC1CC1 ZINC001713695274 1418449337 /nfs/dbraw/zinc/44/93/37/1418449337.db2.gz ORASHWFOQWXTMQ-UHFFFAOYSA-N 1 1 345.447 3.089 10 10 EGCEMO C[C@H]1CO[C@H](c2ccccc2)C[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000066795237 453874334 /nfs/dbraw/zinc/87/43/34/453874334.db2.gz YLECFQPEKZOYAR-DJJJIMSYSA-N 1 1 327.380 3.083 10 10 EGCEMO C[C@H]1CO[C@H](c2ccccc2)C[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000066795237 453874336 /nfs/dbraw/zinc/87/43/36/453874336.db2.gz YLECFQPEKZOYAR-DJJJIMSYSA-N 1 1 327.380 3.083 10 10 EGCEMO Cc1cc(C(=O)N2CCC[N@H+](C3CC3)CC2)c(C)n1-c1ccccc1 ZINC000061605833 454349303 /nfs/dbraw/zinc/34/93/03/454349303.db2.gz AAPXVKOXPHSPER-UHFFFAOYSA-N 1 1 337.467 3.404 10 10 EGCEMO c1ccc(N[C@H]2CC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)cc1 ZINC000092757908 454626138 /nfs/dbraw/zinc/62/61/38/454626138.db2.gz UBPPCZRQSZEKBX-FQEVSTJZSA-N 1 1 337.467 3.210 10 10 EGCEMO CCOc1cccc(C[N@H+]2CC[C@H](CNc3cccc(C)n3)C2)c1O ZINC000092813179 454640187 /nfs/dbraw/zinc/64/01/87/454640187.db2.gz LJJUNKRFDNWDIF-MRXNPFEDSA-N 1 1 341.455 3.428 10 10 EGCEMO Oc1ccccc1C[N@H+](Cc1cnn2ccccc12)C[C@@H]1CCCO1 ZINC000179570727 455059471 /nfs/dbraw/zinc/05/94/71/455059471.db2.gz VTQUVUYJLHXPQJ-SFHVURJKSA-N 1 1 337.423 3.221 10 10 EGCEMO CN(CC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](Cc2ccccc2O)CC1 ZINC000190851505 455391970 /nfs/dbraw/zinc/39/19/70/455391970.db2.gz PYTJDBCPNFGIEG-QGZVFWFLSA-N 1 1 348.487 3.020 10 10 EGCEMO COc1cc(O)c(C[N@H+]2C[C@H](c3ccccc3)OC[C@@H]2C)cc1OC ZINC000160117953 455430362 /nfs/dbraw/zinc/43/03/62/455430362.db2.gz LAVQXAUBGOGVMS-VBKZILBWSA-N 1 1 343.423 3.371 10 10 EGCEMO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCCn3nc(COC)nc32)cc1 ZINC000246907591 455535156 /nfs/dbraw/zinc/53/51/56/455535156.db2.gz FNGJWDXVPZZELA-YOEHRIQHSA-N 1 1 343.475 3.066 10 10 EGCEMO C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)C(=O)N1CCCC[C@@H]1C ZINC000294410552 455815232 /nfs/dbraw/zinc/81/52/32/455815232.db2.gz WKKKFRINJJUXLL-WDEREUQCSA-N 1 1 328.815 3.064 10 10 EGCEMO CC[C@@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)c1ccc(F)cc1O ZINC000285494283 455857353 /nfs/dbraw/zinc/85/73/53/455857353.db2.gz CFMWDKZBGLKVOK-GOEBONIOSA-N 1 1 330.407 3.031 10 10 EGCEMO CC[C@H]([NH2+][C@H]1CCCN(c2cc(C)nn2C)C1)c1ccc(F)cc1O ZINC000287567765 456072697 /nfs/dbraw/zinc/07/26/97/456072697.db2.gz QKYIMAOZAIEFMK-RDJZCZTQSA-N 1 1 346.450 3.283 10 10 EGCEMO CCOc1ccc(O)c(C[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)c1 ZINC000289247972 456119476 /nfs/dbraw/zinc/11/94/76/456119476.db2.gz FBENZDLMSMUJQR-OAHLLOKOSA-N 1 1 333.350 3.070 10 10 EGCEMO CC(C)N(C)C(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000435654800 458180177 /nfs/dbraw/zinc/18/01/77/458180177.db2.gz MDSCXMSZWYIKFU-UHFFFAOYSA-N 1 1 327.472 3.275 10 10 EGCEMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC3(CC3)C2)C1 ZINC000452270500 458497895 /nfs/dbraw/zinc/49/78/95/458497895.db2.gz BVHQWGOULYVXNO-UHFFFAOYSA-N 1 1 337.467 3.030 10 10 EGCEMO CC[C@H]1C[N@@H+](Cc2cc(Cl)cc(C)c2O)C[C@]2(CCOC2)O1 ZINC000373484803 458506695 /nfs/dbraw/zinc/50/66/95/458506695.db2.gz YDOYLCVEKJNDPN-RDJZCZTQSA-N 1 1 325.836 3.124 10 10 EGCEMO Cc1noc(C)c1CO[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000365838004 547778487 /nfs/dbraw/zinc/77/84/87/547778487.db2.gz MTNMOJGSKMIVHL-SFHVURJKSA-N 1 1 329.444 3.149 10 10 EGCEMO Cc1cc(CCNC(=O)[C@@H]2CCCC[N@@H+]2C)c(C)n1-c1ccccc1 ZINC000737780057 574688316 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CC[C@H]([NH2+][C@@H]1c2ccccc2CN(C)C1=O)c1ccc(F)cc1O ZINC000857877542 1328612609 /nfs/dbraw/zinc/61/26/09/1328612609.db2.gz OUEZNSJOKDMCFB-FUHWJXTLSA-N 1 1 328.387 3.285 10 10 EGCEMO CC[N@H+]1CCC[C@H](NC(=O)c2sccc2-n2c(C)ccc2C)C1 ZINC000918396613 1319950378 /nfs/dbraw/zinc/95/03/78/1319950378.db2.gz UWGVZSKEFVKLDC-HNNXBMFYSA-N 1 1 331.485 3.370 10 10 EGCEMO Cc1c[nH+]cn1CC(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000858830633 1328870323 /nfs/dbraw/zinc/87/03/23/1328870323.db2.gz XRWZFCTWVXPESA-UHFFFAOYSA-N 1 1 340.471 3.277 10 10 EGCEMO COC(=O)c1cc2ccccc2c(C[N@@H+](C)C[C@H]2CCCCO2)c1O ZINC000918736902 1321988701 /nfs/dbraw/zinc/98/87/01/1321988701.db2.gz XSAVLUKUZCMVSI-OAHLLOKOSA-N 1 1 343.423 3.333 10 10 EGCEMO COC1CCN(c2ccc(C[N@@H+]3Cc4c[nH]nc4[C@@H](C)C3)cc2)CC1 ZINC000931462018 1329123713 /nfs/dbraw/zinc/12/37/13/1329123713.db2.gz IVFRPNKNOQLLAE-HNNXBMFYSA-N 1 1 340.471 3.144 10 10 EGCEMO FC[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1 ZINC000865822517 1329742377 /nfs/dbraw/zinc/74/23/77/1329742377.db2.gz JARYILWBRSXVHT-LJQANCHMSA-N 1 1 332.394 3.463 10 10 EGCEMO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CC[C@H]2C[C@@H](C)C[N@H+]2C1 ZINC001142417314 1378441632 /nfs/dbraw/zinc/44/16/32/1378441632.db2.gz QEZICWYLMLQMPF-POAQFYNOSA-N 1 1 343.515 3.222 10 10 EGCEMO CC(=O)c1cc(F)cc(C[N@@H+](C)CCCC[NH+]2CCCCC2)c1[O-] ZINC001175686119 1385373981 /nfs/dbraw/zinc/37/39/81/1385373981.db2.gz ADHFMOYEDKLVEF-UHFFFAOYSA-N 1 1 336.451 3.432 10 10 EGCEMO CN(C)c1ccc(C[NH+]2CCN(CCCOC(C)(C)C)CC2)cc1 ZINC001175733386 1385388750 /nfs/dbraw/zinc/38/87/50/1385388750.db2.gz NKWVAUCNEGKXAV-UHFFFAOYSA-N 1 1 333.520 3.075 10 10 EGCEMO CCCN(Cc1ccccc1O)C(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC001479554685 1392274151 /nfs/dbraw/zinc/27/41/51/1392274151.db2.gz OXAABNBGPPGRFV-UHFFFAOYSA-N 1 1 333.476 3.046 10 10 EGCEMO CN(CC[N@@H+](C)CCC(C)(C)C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001699010808 1406840568 /nfs/dbraw/zinc/84/05/68/1406840568.db2.gz GTVHLCQQLOPYMC-UHFFFAOYSA-N 1 1 347.463 3.289 10 10 EGCEMO CCCCC[N@H+]1CC[C@@](C)(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001716853665 1420984821 /nfs/dbraw/zinc/98/48/21/1420984821.db2.gz GCNISJZOYWLRPR-GOSISDBHSA-N 1 1 345.447 3.233 10 10 EGCEMO COc1ccc(NC(=O)[C@H]2CCC[N@H+]2Cc2cc(C)ccc2O)cc1 ZINC000091977260 454499141 /nfs/dbraw/zinc/49/91/41/454499141.db2.gz XRSVMVMNWATTSN-GOSISDBHSA-N 1 1 340.423 3.312 10 10 EGCEMO CC[C@@H]([NH2+][C@@H]1CCCn2nc(COC)nc21)c1ccc(N(C)C)cc1 ZINC000125268143 454809109 /nfs/dbraw/zinc/80/91/09/454809109.db2.gz HQTGFRHVSJWNDK-IAGOWNOFSA-N 1 1 343.475 3.066 10 10 EGCEMO C[C@@H]([NH2+]C[C@@H](O)CN1CCCCC1)c1ccc(N2CCCCC2)cc1 ZINC000151244459 454958428 /nfs/dbraw/zinc/95/84/28/454958428.db2.gz VIALHGFCRCOJGX-WIYYLYMNSA-N 1 1 345.531 3.174 10 10 EGCEMO CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](Cc3ccccc3O)CC[C@H]21 ZINC000292781247 455756448 /nfs/dbraw/zinc/75/64/48/455756448.db2.gz LLBCSRJJSHODDU-GOEBONIOSA-N 1 1 332.444 3.224 10 10 EGCEMO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)c(F)cc2O)[C@]12CCCO2 ZINC000293706597 455794475 /nfs/dbraw/zinc/79/44/75/455794475.db2.gz UHSYBHGVZHHQPJ-ARFHVFGLSA-N 1 1 329.799 3.001 10 10 EGCEMO CNC(=O)CC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)c(F)cc1O ZINC000293999073 455802833 /nfs/dbraw/zinc/80/28/33/455802833.db2.gz SRBUKKLXBDQIJZ-GFCCVEGCSA-N 1 1 328.815 3.065 10 10 EGCEMO CNC(=O)CC[C@H]1CCCC[N@H+]1Cc1cc(Cl)c(F)cc1O ZINC000293999073 455802838 /nfs/dbraw/zinc/80/28/38/455802838.db2.gz SRBUKKLXBDQIJZ-GFCCVEGCSA-N 1 1 328.815 3.065 10 10 EGCEMO COC1CCN(c2ccc(C[N@@H+]3[C@H](C)C[C@@H](O)C[C@@H]3C)cc2)CC1 ZINC000295762985 455858659 /nfs/dbraw/zinc/85/86/59/455858659.db2.gz PCNLZYRWFMXDOM-HGKCTWBKSA-N 1 1 332.488 3.036 10 10 EGCEMO COc1cc(Cl)cc(C[N@H+]2CCC3(C2)Oc2ccccc2O3)c1O ZINC000290222450 456270026 /nfs/dbraw/zinc/27/00/26/456270026.db2.gz RTOOFCVOZSIMMS-UHFFFAOYSA-N 1 1 347.798 3.428 10 10 EGCEMO CCN(CC)c1ccc(C[NH2+]Cc2cn3cccnc3n2)cc1F ZINC000298287142 456415481 /nfs/dbraw/zinc/41/54/81/456415481.db2.gz HCKAOFGNNNHNPX-UHFFFAOYSA-N 1 1 327.407 3.004 10 10 EGCEMO C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1cc2c(cc1O)CCC2 ZINC000738108579 576289457 /nfs/dbraw/zinc/28/94/57/576289457.db2.gz DHBDIKAUCHPNPA-AWEZNQCLSA-N 1 1 346.471 3.322 10 10 EGCEMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCC3(C2)CCCCC3)cc1 ZINC000741807795 576724388 /nfs/dbraw/zinc/72/43/88/576724388.db2.gz LWODBPZRVSOTLE-UHFFFAOYSA-N 1 1 343.515 3.367 10 10 EGCEMO COc1cc(C)cc(C[N@@H+](C)Cc2cn(C)nc2C(F)(F)F)c1O ZINC000164541340 1294349741 /nfs/dbraw/zinc/34/97/41/1294349741.db2.gz RSPZDOQWRNDEBZ-UHFFFAOYSA-N 1 1 343.349 3.094 10 10 EGCEMO CC[N@H+](Cc1cc(Cl)cc(Br)c1[O-])[C@H]1CCC[NH2+]C1 ZINC000708100101 1298235732 /nfs/dbraw/zinc/23/57/32/1298235732.db2.gz RGVFLCFMQLGKRO-LBPRGKRZSA-N 1 1 347.684 3.382 10 10 EGCEMO CC[N@@H+](Cc1cc(Cl)cc(Br)c1[O-])[C@H]1CCC[NH2+]C1 ZINC000708100101 1298235740 /nfs/dbraw/zinc/23/57/40/1298235740.db2.gz RGVFLCFMQLGKRO-LBPRGKRZSA-N 1 1 347.684 3.382 10 10 EGCEMO Oc1c(F)cc(Br)cc1Cn1c[nH+]c2c1CCCC2 ZINC000895390613 1309313629 /nfs/dbraw/zinc/31/36/29/1309313629.db2.gz ZWBQJWIWOPGFDG-UHFFFAOYSA-N 1 1 325.181 3.417 10 10 EGCEMO COc1ccc(N2CCC[N@H+]([C@H](C)c3snnc3C)CC2)cc1 ZINC000929314433 1328564810 /nfs/dbraw/zinc/56/48/10/1328564810.db2.gz AVGKLIGHWBLMPH-CQSZACIVSA-N 1 1 332.473 3.128 10 10 EGCEMO c1[nH]nc2c1CCC[C@@H]2[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000857848807 1328602510 /nfs/dbraw/zinc/60/25/10/1328602510.db2.gz NGGHTSJZCIQJSF-KRWDZBQOSA-N 1 1 328.485 3.130 10 10 EGCEMO Cc1cc(Br)c(O)c(C[NH2+][C@H]2CO[C@H](C3CC3)C2)c1 ZINC000858299121 1328732743 /nfs/dbraw/zinc/73/27/43/1328732743.db2.gz PMGIRPDCGLHYIG-OCCSQVGLSA-N 1 1 326.234 3.120 10 10 EGCEMO O=[S@@](CC[N@H+](Cc1ccco1)Cc1ccccc1O)C(F)(F)F ZINC000929969752 1328753001 /nfs/dbraw/zinc/75/30/01/1328753001.db2.gz CQPUQRAQTKOFEM-QHCPKHFHSA-N 1 1 347.358 3.256 10 10 EGCEMO O=[S@@](CC[N@@H+](Cc1ccco1)Cc1ccccc1O)C(F)(F)F ZINC000929969752 1328753004 /nfs/dbraw/zinc/75/30/04/1328753004.db2.gz CQPUQRAQTKOFEM-QHCPKHFHSA-N 1 1 347.358 3.256 10 10 EGCEMO C[C@@H]([NH2+]C[C@H](n1cccn1)C(F)(F)F)c1cc(F)cc(F)c1O ZINC000858449564 1328765215 /nfs/dbraw/zinc/76/52/15/1328765215.db2.gz OHJPBUPAYAGXDO-PELKAZGASA-N 1 1 335.276 3.321 10 10 EGCEMO C[C@@H]([NH2+]Cc1c(C(F)(F)F)cnn1C)c1cc(F)cc(F)c1O ZINC000858452278 1328766045 /nfs/dbraw/zinc/76/60/45/1328766045.db2.gz IUQOXWWAJHJEBM-SSDOTTSWSA-N 1 1 335.276 3.274 10 10 EGCEMO CC[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1cc(Br)ccc1[O-] ZINC000925786599 1325302431 /nfs/dbraw/zinc/30/24/31/1325302431.db2.gz ULYZOAOHIAQUSL-UHIISALHSA-N 1 1 327.266 3.051 10 10 EGCEMO CCC[N@H+](Cc1cn(C)nc1Br)Cc1ccccc1O ZINC000862237129 1329469208 /nfs/dbraw/zinc/46/92/08/1329469208.db2.gz IMKOWYWWJKKKDP-UHFFFAOYSA-N 1 1 338.249 3.300 10 10 EGCEMO CCC[N@@H+](Cc1cn(C)nc1Br)Cc1ccccc1O ZINC000862237129 1329469210 /nfs/dbraw/zinc/46/92/10/1329469210.db2.gz IMKOWYWWJKKKDP-UHFFFAOYSA-N 1 1 338.249 3.300 10 10 EGCEMO COC[C@H]1CCC[N@@H+](Cc2c(O)cccc2Br)CC1 ZINC000862390562 1329481602 /nfs/dbraw/zinc/48/16/02/1329481602.db2.gz GNLIIFUQMOIGAC-LBPRGKRZSA-N 1 1 328.250 3.403 10 10 EGCEMO Cn1ncc(C(F)(F)F)c1C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000862436178 1329486873 /nfs/dbraw/zinc/48/68/73/1329486873.db2.gz YXGSXZDSWWZYTG-UHFFFAOYSA-N 1 1 337.704 3.227 10 10 EGCEMO CC[C@@H]1[C@@H](C(=O)NCc2ccc(N3CCCCC3)cc2)CC[N@H+]1C ZINC000865031306 1329662947 /nfs/dbraw/zinc/66/29/47/1329662947.db2.gz LQRIZCPKJZRUOK-RBUKOAKNSA-N 1 1 329.488 3.023 10 10 EGCEMO C[C@@H]1C[C@H]([N@@H+](C)Cc2cc(Br)cc(F)c2[O-])CCN1C ZINC001119443209 1371342692 /nfs/dbraw/zinc/34/26/92/1371342692.db2.gz JEQREUAERSAHKK-ZWNOBZJWSA-N 1 1 345.256 3.208 10 10 EGCEMO C[C@@H]1C[C@H]([NH+](C)Cc2cc(Br)cc(F)c2[O-])CC[N@@H+]1C ZINC001119443209 1371342697 /nfs/dbraw/zinc/34/26/97/1371342697.db2.gz JEQREUAERSAHKK-ZWNOBZJWSA-N 1 1 345.256 3.208 10 10 EGCEMO C[C@@H]1C[C@H]([NH+](C)Cc2cc(Br)cc(F)c2[O-])CC[N@H+]1C ZINC001119443209 1371342705 /nfs/dbraw/zinc/34/27/05/1371342705.db2.gz JEQREUAERSAHKK-ZWNOBZJWSA-N 1 1 345.256 3.208 10 10 EGCEMO C[C@@H]1C[C@H]([N@H+](C)Cc2cc(Br)cc(F)c2[O-])CC[NH+]1C ZINC001119443209 1371342712 /nfs/dbraw/zinc/34/27/12/1371342712.db2.gz JEQREUAERSAHKK-ZWNOBZJWSA-N 1 1 345.256 3.208 10 10 EGCEMO C[C@@H]1C[C@H]([N@@H+](C)Cc2cc(Br)cc(F)c2[O-])CC[NH+]1C ZINC001119443209 1371342722 /nfs/dbraw/zinc/34/27/22/1371342722.db2.gz JEQREUAERSAHKK-ZWNOBZJWSA-N 1 1 345.256 3.208 10 10 EGCEMO C[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(Br)cc(F)c2[O-])CCN1C ZINC001119443208 1371342979 /nfs/dbraw/zinc/34/29/79/1371342979.db2.gz JEQREUAERSAHKK-MFKMUULPSA-N 1 1 345.256 3.208 10 10 EGCEMO C[C@@H]1C[C@@H]([NH+](C)Cc2cc(Br)cc(F)c2[O-])CC[N@@H+]1C ZINC001119443208 1371342982 /nfs/dbraw/zinc/34/29/82/1371342982.db2.gz JEQREUAERSAHKK-MFKMUULPSA-N 1 1 345.256 3.208 10 10 EGCEMO C[C@@H]1C[C@@H]([NH+](C)Cc2cc(Br)cc(F)c2[O-])CC[N@H+]1C ZINC001119443208 1371342987 /nfs/dbraw/zinc/34/29/87/1371342987.db2.gz JEQREUAERSAHKK-MFKMUULPSA-N 1 1 345.256 3.208 10 10 EGCEMO C[C@@H]1C[C@@H]([N@H+](C)Cc2cc(Br)cc(F)c2[O-])CC[NH+]1C ZINC001119443208 1371342991 /nfs/dbraw/zinc/34/29/91/1371342991.db2.gz JEQREUAERSAHKK-MFKMUULPSA-N 1 1 345.256 3.208 10 10 EGCEMO C[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(Br)cc(F)c2[O-])CC[NH+]1C ZINC001119443208 1371342994 /nfs/dbraw/zinc/34/29/94/1371342994.db2.gz JEQREUAERSAHKK-MFKMUULPSA-N 1 1 345.256 3.208 10 10 EGCEMO CC(C)[N@@H+]1CCC[C@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC001160600140 1382150589 /nfs/dbraw/zinc/15/05/89/1382150589.db2.gz POLJAXDCGBTZET-NSHDSACASA-N 1 1 345.270 3.436 10 10 EGCEMO CC(C)[N@H+]1CCC[C@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC001160600140 1382150590 /nfs/dbraw/zinc/15/05/90/1382150590.db2.gz POLJAXDCGBTZET-NSHDSACASA-N 1 1 345.270 3.436 10 10 EGCEMO CCC[N@H+]1CCC[C@@H](C(=O)NCc2ccc(N3CCCCC3)cc2)C1 ZINC001299788544 1383628234 /nfs/dbraw/zinc/62/82/34/1383628234.db2.gz UNSRNZUTUOTDCM-LJQANCHMSA-N 1 1 343.515 3.415 10 10 EGCEMO CN(C)c1ccc(C[N@@H+](C[C@H]2CCC[C@]3(CCOC3)O2)C2CC2)cc1 ZINC001307424113 1383988164 /nfs/dbraw/zinc/98/81/64/1383988164.db2.gz MXTCCCAWIAFILD-NHCUHLMSSA-N 1 1 344.499 3.445 10 10 EGCEMO CC[C@](O)(C[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1)C(F)(F)F ZINC001307424773 1383988269 /nfs/dbraw/zinc/98/82/69/1383988269.db2.gz VLLAZXMUCPEVOH-INIZCTEOSA-N 1 1 330.394 3.420 10 10 EGCEMO CN(C)c1ccc(CNC(=O)C[N@H+]2CCCC3(CCCC3)CC2)cc1 ZINC001171910856 1384678999 /nfs/dbraw/zinc/67/89/99/1384678999.db2.gz AMMMJMUGQKXGNR-UHFFFAOYSA-N 1 1 343.515 3.415 10 10 EGCEMO CC(C)NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001333863079 1390423839 /nfs/dbraw/zinc/42/38/39/1390423839.db2.gz FIHIBNQBPDJPAW-SFHVURJKSA-N 1 1 329.488 3.023 10 10 EGCEMO CCCCC[N@H+]1CC[C@@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001691171011 1405107237 /nfs/dbraw/zinc/10/72/37/1405107237.db2.gz LLRGORCIUXVPOB-AWEZNQCLSA-N 1 1 345.447 3.091 10 10 EGCEMO CCC/C=C/CC[NH+]1CC(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001714954755 1419695621 /nfs/dbraw/zinc/69/56/21/1419695621.db2.gz RCMOGVKYNDCPSO-CUOHDCKHSA-N 1 1 343.431 3.009 10 10 EGCEMO C[N@@H+](CCOc1ccccc1)Cc1ccc(N2CCOCC2)cc1 ZINC000071004822 454192044 /nfs/dbraw/zinc/19/20/44/454192044.db2.gz YLNSVGRETNYTNE-UHFFFAOYSA-N 1 1 326.440 3.034 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COc1cc(Cl)cc(C[N@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)c1O ZINC000248862075 455735432 /nfs/dbraw/zinc/73/54/32/455735432.db2.gz GIRZTCJHPAKNDI-IUODEOHRSA-N 1 1 335.835 3.334 10 10 EGCEMO COc1c(O)c(C[N@H+](C)CCc2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000278176234 455778148 /nfs/dbraw/zinc/77/81/48/455778148.db2.gz GJCRLHVSBISQJP-UHFFFAOYSA-N 1 1 334.347 3.123 10 10 EGCEMO COc1c(O)c(C[N@@H+](C)CCc2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000278176234 455778150 /nfs/dbraw/zinc/77/81/50/455778150.db2.gz GJCRLHVSBISQJP-UHFFFAOYSA-N 1 1 334.347 3.123 10 10 EGCEMO COc1ccccc1[C@H](O)C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000294138087 455806179 /nfs/dbraw/zinc/80/61/79/455806179.db2.gz HFNAQNRYFZUVFY-OAHLLOKOSA-N 1 1 325.767 3.017 10 10 EGCEMO COC1CCN(c2ccc(C[N@@H+](C)[C@@H]3CCN(C)[C@H](C)C3)cc2)CC1 ZINC000295118275 455839653 /nfs/dbraw/zinc/83/96/53/455839653.db2.gz WJQHMBXHSIVBRV-YLJYHZDGSA-N 1 1 345.531 3.216 10 10 EGCEMO CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)[C@H](C)c1cccnc1 ZINC000290658050 456398089 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3.331 10 10 EGCEMO CN(C)c1ccc(/C=C/C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000032841688 1291382248 /nfs/dbraw/zinc/38/22/48/1291382248.db2.gz JDBOOFIAJSWWPF-KVDXNUTJSA-N 1 1 349.478 3.281 10 10 EGCEMO CN(C)c1ccc(/C=C/C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000032841688 1291382256 /nfs/dbraw/zinc/38/22/56/1291382256.db2.gz JDBOOFIAJSWWPF-KVDXNUTJSA-N 1 1 349.478 3.281 10 10 EGCEMO COc1cc(C)cc(C[N@H+]2CCN(C)C[C@H]2c2ccccc2)c1O ZINC000246583028 1296363177 /nfs/dbraw/zinc/36/31/77/1296363177.db2.gz MGBKYSMMDXUKEE-SFHVURJKSA-N 1 1 326.440 3.198 10 10 EGCEMO COc1cc(C)cc(CN2CC[N@H+](C)C[C@H]2c2ccccc2)c1O ZINC000246583028 1296363190 /nfs/dbraw/zinc/36/31/90/1296363190.db2.gz MGBKYSMMDXUKEE-SFHVURJKSA-N 1 1 326.440 3.198 10 10 EGCEMO COc1cc(C)cc(CN2CC[N@@H+](C)C[C@H]2c2ccccc2)c1O ZINC000246583028 1296363205 /nfs/dbraw/zinc/36/32/05/1296363205.db2.gz MGBKYSMMDXUKEE-SFHVURJKSA-N 1 1 326.440 3.198 10 10 EGCEMO C[C@@H]([NH2+]CCC[C@@H]1CCOC1=O)c1cccc(C(F)(F)F)c1O ZINC000872114917 1296742656 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COC(=O)c1c(C[N@@H+](C)CC2=CCSC2)c2cc(F)ccc2n1C ZINC000895349201 1309292855 /nfs/dbraw/zinc/29/28/55/1309292855.db2.gz BZPCHIKHGUUQFB-UHFFFAOYSA-N 1 1 348.443 3.209 10 10 EGCEMO COc1cc(Cl)cc(C[N@@H+]2CC[C@](OC)(C(F)(F)F)C2)c1O ZINC000895578318 1309411814 /nfs/dbraw/zinc/41/18/14/1309411814.db2.gz YUYCTMBWJYLGOJ-CYBMUJFWSA-N 1 1 339.741 3.207 10 10 EGCEMO COc1cc(Cl)cc(C[N@H+]2CC[C@](OC)(C(F)(F)F)C2)c1O ZINC000895578318 1309411819 /nfs/dbraw/zinc/41/18/19/1309411819.db2.gz YUYCTMBWJYLGOJ-CYBMUJFWSA-N 1 1 339.741 3.207 10 10 EGCEMO Cc1cc(Br)c([O-])c(C[N@H+]2C[C@@H]3CSC[C@@H]3C2)c1 ZINC000895779425 1309515387 /nfs/dbraw/zinc/51/53/87/1309515387.db2.gz OMTBFVPQIFCFGA-TXEJJXNPSA-N 1 1 328.275 3.258 10 10 EGCEMO Cc1cc(Br)c(O)c(C[N@@H+]2C[C@@H]3CSC[C@@H]3C2)c1 ZINC000895779425 1309515388 /nfs/dbraw/zinc/51/53/88/1309515388.db2.gz OMTBFVPQIFCFGA-TXEJJXNPSA-N 1 1 328.275 3.258 10 10 EGCEMO Cc1cc(Br)c(O)c(C[N@H+]2C[C@@H]3CSC[C@@H]3C2)c1 ZINC000895779425 1309515392 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COC(=O)C1=CC[C@@H]([NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)C1 ZINC000858471685 1328770807 /nfs/dbraw/zinc/77/08/07/1328770807.db2.gz DWVOMDWNEZIXNP-GXSJLCMTSA-N 1 1 329.318 3.323 10 10 EGCEMO C[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1cn(-c2ccccc2)nn1 ZINC000921848970 1322411850 /nfs/dbraw/zinc/41/18/50/1322411850.db2.gz LEVWSVNGXHWWBR-HNNXBMFYSA-N 1 1 334.423 3.443 10 10 EGCEMO CCN(CC)c1ccc(C[NH2+]C2(c3ncccn3)CCOCC2)cc1 ZINC000923009164 1322672838 /nfs/dbraw/zinc/67/28/38/1322672838.db2.gz OUEBQVCZZFGLFM-UHFFFAOYSA-N 1 1 340.471 3.118 10 10 EGCEMO CC[C@@H]([NH2+]CCCCC[NH+]1CCNCC1)c1cccc(Cl)c1[O-] ZINC000925847738 1325327527 /nfs/dbraw/zinc/32/75/27/1325327527.db2.gz UYWCHLZKMHFKJK-QGZVFWFLSA-N 1 1 339.911 3.162 10 10 EGCEMO Cc1c(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)ccnc1F ZINC000862213723 1329466480 /nfs/dbraw/zinc/46/64/80/1329466480.db2.gz UGUIQNMTXMBEDV-QGZVFWFLSA-N 1 1 330.403 3.416 10 10 EGCEMO CN(C)c1ccc(/C=C\C[N@H+]2CCc3nc(C4CC4)ncc3C2)cc1 ZINC000862507371 1329492039 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CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1ccc(N(C)CC)cc1 ZINC000167762518 454924154 /nfs/dbraw/zinc/92/41/54/454924154.db2.gz QLJCYAHLEKYYIR-PBHICJAKSA-N 1 1 327.476 3.482 10 10 EGCEMO CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000179931970 455100710 /nfs/dbraw/zinc/10/07/10/455100710.db2.gz UIJMUWZHUNRZFE-AWEZNQCLSA-N 1 1 338.879 3.482 10 10 EGCEMO Cc1cc(Cl)cc(C[N@H+](C)[C@@H]2CCCN(c3cccnn3)C2)c1O ZINC000180079344 455128530 /nfs/dbraw/zinc/12/85/30/455128530.db2.gz DEXCHDYXGFPXCI-MRXNPFEDSA-N 1 1 346.862 3.245 10 10 EGCEMO CO[C@@H](C)c1noc(C[N@H+](C)Cc2c(O)ccc3ccccc32)n1 ZINC000267113305 455502838 /nfs/dbraw/zinc/50/28/38/455502838.db2.gz RTYQTQUFVGZGHG-LBPRGKRZSA-N 1 1 327.384 3.268 10 10 EGCEMO CO[C@@H](C)c1noc(C[N@@H+](C)Cc2c(O)ccc3ccccc32)n1 ZINC000267113305 455502844 /nfs/dbraw/zinc/50/28/44/455502844.db2.gz RTYQTQUFVGZGHG-LBPRGKRZSA-N 1 1 327.384 3.268 10 10 EGCEMO CCCN(CCC)c1ccc(C[N@@H+](C)CC2(O)CCOCC2)cc1 ZINC000188834970 456147873 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CCOCC[N@@H+](CC)Cc1c(O)c(C(=O)OC)cc2ccccc21 ZINC000730802004 575022080 /nfs/dbraw/zinc/02/20/80/575022080.db2.gz BZOHUCHNPBIRDT-UHFFFAOYSA-N 1 1 331.412 3.190 10 10 EGCEMO C[NH+](C)[C@H](C(=O)N1Cc2cccc(O)c2C1)c1ccc(Cl)cc1 ZINC000871206157 1296273230 /nfs/dbraw/zinc/27/32/30/1296273230.db2.gz UEOAIKUNDYLOSQ-KRWDZBQOSA-N 1 1 330.815 3.191 10 10 EGCEMO CCC[N@H+](Cc1cc(Cl)cc(Br)c1[O-])[C@@H]1CC[NH2+]C1 ZINC000708098982 1298235076 /nfs/dbraw/zinc/23/50/76/1298235076.db2.gz NWNWKLLBZYWXIH-GFCCVEGCSA-N 1 1 347.684 3.382 10 10 EGCEMO CCC[N@@H+](Cc1cc(Cl)cc(Br)c1[O-])[C@@H]1CC[NH2+]C1 ZINC000708098982 1298235087 /nfs/dbraw/zinc/23/50/87/1298235087.db2.gz NWNWKLLBZYWXIH-GFCCVEGCSA-N 1 1 347.684 3.382 10 10 EGCEMO CC(=O)c1cc(F)cc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)c1[O-] ZINC000879248716 1300452996 /nfs/dbraw/zinc/45/29/96/1300452996.db2.gz YNSJJRDJNNLLPJ-UHFFFAOYSA-N 1 1 334.435 3.042 10 10 EGCEMO C[C@@H]1OC[C@]2(CC[C@H](C[NH2+]Cc3c(O)ccc(Cl)c3F)O2)[C@H]1C ZINC000886338002 1303440433 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CC(C)OCC[NH+]1CCC([NH2+]Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000293739985 455796246 /nfs/dbraw/zinc/79/62/46/455796246.db2.gz XDCCUOBZVRRMHX-UHFFFAOYSA-N 1 1 344.858 3.164 10 10 EGCEMO CC[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C)c1ccc(F)cc1O ZINC000286222812 456003368 /nfs/dbraw/zinc/00/33/68/456003368.db2.gz SMDSSULZTDWINL-MSOLQXFVSA-N 1 1 344.430 3.272 10 10 EGCEMO COc1cccc(C[N@@H+](C)[C@H]2CCN(Cc3ccccc3)C2)c1O ZINC000271039907 456107821 /nfs/dbraw/zinc/10/78/21/456107821.db2.gz LZIJFEAUTOAWCU-SFHVURJKSA-N 1 1 326.440 3.107 10 10 EGCEMO COc1cccc(CN(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1O ZINC000271039907 456107825 /nfs/dbraw/zinc/10/78/25/456107825.db2.gz LZIJFEAUTOAWCU-SFHVURJKSA-N 1 1 326.440 3.107 10 10 EGCEMO COc1cccc(CN(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1O ZINC000271039907 456107829 /nfs/dbraw/zinc/10/78/29/456107829.db2.gz LZIJFEAUTOAWCU-SFHVURJKSA-N 1 1 326.440 3.107 10 10 EGCEMO COC[C@@H]([NH2+][C@H](C)c1cc(C(=O)OC)ccc1O)c1ccccc1 ZINC000273347187 456224099 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Cc1cc(Br)cc(C[N@@H+]2CC[C@H](OC(C)C)C2)c1O ZINC000706558754 1298221569 /nfs/dbraw/zinc/22/15/69/1298221569.db2.gz ZVLAIQIRPGXILI-AWEZNQCLSA-N 1 1 328.250 3.462 10 10 EGCEMO COc1cc(C)cc(C[N@H+]2CC[C@@H](O)C[C@H]2c2ccccc2)c1O ZINC000895422816 1309330074 /nfs/dbraw/zinc/33/00/74/1309330074.db2.gz PCGYPCFBAVSQIU-MSOLQXFVSA-N 1 1 327.424 3.407 10 10 EGCEMO COc1cc(C)cc(C[NH2+]Cc2ncc(Br)s2)c1O ZINC000895465354 1309351469 /nfs/dbraw/zinc/35/14/69/1309351469.db2.gz BMZUGHSKCCURPM-UHFFFAOYSA-N 1 1 343.246 3.218 10 10 EGCEMO Oc1cc(F)c(Cl)cc1C[NH2+]C[C@H](O)Cc1ccccc1F ZINC000895749107 1309503303 /nfs/dbraw/zinc/50/33/03/1309503303.db2.gz MGZOOHIERPSEFC-GFCCVEGCSA-N 1 1 327.758 3.017 10 10 EGCEMO Oc1c(Br)cccc1C[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000895846590 1309555909 /nfs/dbraw/zinc/55/59/09/1309555909.db2.gz QRPGSXJMRRBLFW-RISCZKNCSA-N 1 1 326.234 3.156 10 10 EGCEMO Oc1cc(Br)ccc1C[N@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000895845959 1309555645 /nfs/dbraw/zinc/55/56/45/1309555645.db2.gz SEAZPUUUXRCABD-IUODEOHRSA-N 1 1 326.234 3.156 10 10 EGCEMO Oc1c(Br)cccc1C[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000895846590 1309555914 /nfs/dbraw/zinc/55/59/14/1309555914.db2.gz QRPGSXJMRRBLFW-RISCZKNCSA-N 1 1 326.234 3.156 10 10 EGCEMO O=C(NC[C@@H]1CC[N@H+]1C1CCCC1)c1cc2cc(O)c(O)cc2s1 ZINC000899142274 1310951158 /nfs/dbraw/zinc/95/11/58/1310951158.db2.gz UEZBJRYYCVILHJ-ZDUSSCGKSA-N 1 1 346.452 3.059 10 10 EGCEMO Cc1cc(Br)c(O)c(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)c1 ZINC000858299122 1328733055 /nfs/dbraw/zinc/73/30/55/1328733055.db2.gz PMGIRPDCGLHYIG-TZMCWYRMSA-N 1 1 326.234 3.120 10 10 EGCEMO CC[C@@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1cc(Cl)ccc1[O-] ZINC000925842549 1325325435 /nfs/dbraw/zinc/32/54/35/1325325435.db2.gz ACJCPMOBOUOHNZ-QGZVFWFLSA-N 1 1 339.911 3.162 10 10 EGCEMO Cc1nc2c(o1)CCC[C@H]2[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000926725068 1327685679 /nfs/dbraw/zinc/68/56/79/1327685679.db2.gz NYYDQMLBZILQKG-GOSISDBHSA-N 1 1 341.455 3.111 10 10 EGCEMO C[C@H]([NH2+][C@H]1CCc2nnn(C)c2C1)c1cc(Cl)c(Cl)cc1O ZINC000927145214 1327890179 /nfs/dbraw/zinc/89/01/79/1327890179.db2.gz KBXKXTGBPXWWIC-IUCAKERBSA-N 1 1 341.242 3.036 10 10 EGCEMO COC[C@@]1(C)C[N@@H+](Cc2cc(-c3ccccc3)ccc2O)CCO1 ZINC000862552344 1329496087 /nfs/dbraw/zinc/49/60/87/1329496087.db2.gz WUFXSSGHWNRYEF-HXUWFJFHSA-N 1 1 327.424 3.297 10 10 EGCEMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2c3ccccc3CN2C)c1 ZINC000866564204 1330127275 /nfs/dbraw/zinc/12/72/75/1330127275.db2.gz SGVXZCOVZRXYQF-FZKQIMNGSA-N 1 1 340.423 3.016 10 10 EGCEMO Cc1cc(C(=O)N2CC[NH+](C)CC2)c(C)n1-c1cc(C)cc(C)c1 ZINC001135603370 1377159648 /nfs/dbraw/zinc/15/96/48/1377159648.db2.gz GNUORDGGJWNOKO-UHFFFAOYSA-N 1 1 325.456 3.099 10 10 EGCEMO COc1ccc(N(C)CC[N@@H+](C)C[C@@H](O)c2ccc(Cl)cc2)cc1 ZINC001171730442 1384617225 /nfs/dbraw/zinc/61/72/25/1384617225.db2.gz UIGDMDRVYRDYPV-LJQANCHMSA-N 1 1 348.874 3.450 10 10 EGCEMO CCC(CC)C[N@@H+](C)C[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001322305381 1387151511 /nfs/dbraw/zinc/15/15/11/1387151511.db2.gz DKMCDRVSCYHJCT-CYBMUJFWSA-N 1 1 347.463 3.335 10 10 EGCEMO C[N@@H+](CCCC(=O)OC(C)(C)C)Cc1ccc(N2CCOCC2)cc1 ZINC000131053897 454233067 /nfs/dbraw/zinc/23/30/67/454233067.db2.gz OZBFEMATMGILJO-UHFFFAOYSA-N 1 1 348.487 3.077 10 10 EGCEMO CCCOc1ccc(C[N@H+]2CCC[C@H](Cc3nccn3C)C2)c(O)c1 ZINC000184728560 455437451 /nfs/dbraw/zinc/43/74/51/455437451.db2.gz LPUBVVQPFNWHDW-MRXNPFEDSA-N 1 1 343.471 3.369 10 10 EGCEMO CCOc1cccc(C[N@@H+]2CCO[C@H](c3cccc(OC)c3)C2)c1O ZINC000093079832 454678267 /nfs/dbraw/zinc/67/82/67/454678267.db2.gz WURXNRCXZLOPRK-IBGZPJMESA-N 1 1 343.423 3.373 10 10 EGCEMO CCOc1cccc(C[N@H+]2CCO[C@H](c3cccc(OC)c3)C2)c1O ZINC000093079832 454678273 /nfs/dbraw/zinc/67/82/73/454678273.db2.gz WURXNRCXZLOPRK-IBGZPJMESA-N 1 1 343.423 3.373 10 10 EGCEMO COc1ccc(O)c(C[N@H+]2CC[C@@H](CNc3cccc(C)n3)C2)c1 ZINC000179989206 455112398 /nfs/dbraw/zinc/11/23/98/455112398.db2.gz HIPWOBZKRVIDQV-HNNXBMFYSA-N 1 1 327.428 3.038 10 10 EGCEMO C[C@@H]([NH2+]C1CCN(C(=O)c2ccccc2)CC1)c1ccc(F)cc1O ZINC000185172550 455516171 /nfs/dbraw/zinc/51/61/71/455516171.db2.gz VMZXHZHHPUJZME-CQSZACIVSA-N 1 1 342.414 3.487 10 10 EGCEMO Cc1cc(C(=O)C[N@H+]2CC[C@@H]([C@@H](C)O)C2)c(C)n1-c1ccc(F)cc1 ZINC000272505302 455974249 /nfs/dbraw/zinc/97/42/49/455974249.db2.gz FFLHBCXNXUTSIG-HZPDHXFCSA-N 1 1 344.430 3.119 10 10 EGCEMO Cc1cc(C(=O)C[N@@H+]2CC[C@@H]([C@@H](C)O)C2)c(C)n1-c1ccc(F)cc1 ZINC000272505302 455974257 /nfs/dbraw/zinc/97/42/57/455974257.db2.gz FFLHBCXNXUTSIG-HZPDHXFCSA-N 1 1 344.430 3.119 10 10 EGCEMO COc1cc(C[N@@H+](C)Cc2cc(OC)c(OC)cc2O)cc(OC)c1 ZINC000271071046 456117874 /nfs/dbraw/zinc/11/78/74/456117874.db2.gz FELUJXAGJMRNMK-UHFFFAOYSA-N 1 1 347.411 3.059 10 10 EGCEMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2C[C@H](C)[C@H]2C)C1 ZINC000357528063 457580353 /nfs/dbraw/zinc/58/03/53/457580353.db2.gz AEZLDNWVHRJLRS-JKSUJKDBSA-N 1 1 339.483 3.275 10 10 EGCEMO CCOc1cccc(C[N@H+]2CC[C@H](OCc3c(C)noc3C)C2)c1O ZINC000370730503 457708862 /nfs/dbraw/zinc/70/88/62/457708862.db2.gz OOXQXEPISXOWDH-INIZCTEOSA-N 1 1 346.427 3.187 10 10 EGCEMO COc1cccc(C[N@H+]2CCCN(c3ccc(F)c(F)c3)CC2)c1O ZINC000367039833 457924547 /nfs/dbraw/zinc/92/45/47/457924547.db2.gz AUIQEJCPIDONKA-UHFFFAOYSA-N 1 1 348.393 3.391 10 10 EGCEMO CCN(CC)c1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CNC(=O)C2)cc1F ZINC000362337775 458112836 /nfs/dbraw/zinc/11/28/36/458112836.db2.gz XTPJXMKWHSJHPO-WMZOPIPTSA-N 1 1 347.478 3.163 10 10 EGCEMO CCC[N@@H+](C)CC(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC000741212405 576666772 /nfs/dbraw/zinc/66/67/72/576666772.db2.gz OMLYTXGYPJDVQJ-UHFFFAOYSA-N 1 1 327.472 3.095 10 10 EGCEMO CCOc1ccc(O)c(C[N@H+]2CCO[C@]3(CCc4ccccc43)C2)c1 ZINC000093638387 1292927310 /nfs/dbraw/zinc/92/73/10/1292927310.db2.gz HSXRQMCSNMADBT-OAQYLSRUSA-N 1 1 339.435 3.465 10 10 EGCEMO COc1ccc(C[N@H+]2CCCN(Cc3ccccc3)CC2)c(O)c1 ZINC000127315881 1293559888 /nfs/dbraw/zinc/55/98/88/1293559888.db2.gz XXTDCZZDTGMWOP-UHFFFAOYSA-N 1 1 326.440 3.109 10 10 EGCEMO COc1ccc(CN2CCC[N@H+](Cc3ccccc3)CC2)c(O)c1 ZINC000127315881 1293559893 /nfs/dbraw/zinc/55/98/93/1293559893.db2.gz XXTDCZZDTGMWOP-UHFFFAOYSA-N 1 1 326.440 3.109 10 10 EGCEMO COc1ccc(CN2CCC[N@@H+](Cc3ccccc3)CC2)c(O)c1 ZINC000127315881 1293559898 /nfs/dbraw/zinc/55/98/98/1293559898.db2.gz XXTDCZZDTGMWOP-UHFFFAOYSA-N 1 1 326.440 3.109 10 10 EGCEMO Oc1ccc2oc3c(c2c1C[N@@H+]1CCO[C@@H](C(F)F)C1)CCCC3 ZINC000193439074 1295869157 /nfs/dbraw/zinc/86/91/57/1295869157.db2.gz GGDAWMSGWUPEPW-MRXNPFEDSA-N 1 1 337.366 3.483 10 10 EGCEMO Oc1ccc2oc3c(c2c1C[N@H+]1CCO[C@@H](C(F)F)C1)CCCC3 ZINC000193439074 1295869166 /nfs/dbraw/zinc/86/91/66/1295869166.db2.gz GGDAWMSGWUPEPW-MRXNPFEDSA-N 1 1 337.366 3.483 10 10 EGCEMO C[C@@H]([NH2+]CCC[C@H]1CCOC1=O)c1cccc(C(F)(F)F)c1O ZINC000872114919 1296741318 /nfs/dbraw/zinc/74/13/18/1296741318.db2.gz YTFUMSYDVYOEGG-MNOVXSKESA-N 1 1 331.334 3.405 10 10 EGCEMO COc1cc(C)cc(C[N@H+]2CC[C@H](O)C[C@H]2c2ccccc2)c1O ZINC000895422818 1309331132 /nfs/dbraw/zinc/33/11/32/1309331132.db2.gz PCGYPCFBAVSQIU-ROUUACIJSA-N 1 1 327.424 3.407 10 10 EGCEMO COc1c(O)c(C[NH2+]CC[C@H]2CCCC2(F)F)ccc1[N+](=O)[O-] ZINC000895545988 1309394351 /nfs/dbraw/zinc/39/43/51/1309394351.db2.gz WHFNUJHECJMALY-LLVKDONJSA-N 1 1 330.331 3.224 10 10 EGCEMO C[C@@H]1C[C@]2(CC[C@@H](C[NH2+]Cc3cc(Cl)c(F)cc3O)O2)CO1 ZINC000895818992 1309534271 /nfs/dbraw/zinc/53/42/71/1309534271.db2.gz HCNKCDZNRNIGDV-RSAASHCRSA-N 1 1 329.799 3.001 10 10 EGCEMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000896746790 1309996427 /nfs/dbraw/zinc/99/64/27/1309996427.db2.gz XCSQCXZHTGJDKF-LBPRGKRZSA-N 1 1 348.468 3.116 10 10 EGCEMO CCOc1ccc(O)c(C[N@H+]2CC[C@H](Oc3ccc(C)cn3)C2)c1 ZINC000858011198 1328656543 /nfs/dbraw/zinc/65/65/43/1328656543.db2.gz KZTNMZVICZJHIB-KRWDZBQOSA-N 1 1 328.412 3.148 10 10 EGCEMO CN(C)c1cc(F)c(C[NH2+]C[C@@H](n2cccn2)C(F)(F)F)cc1F ZINC000858208376 1328711322 /nfs/dbraw/zinc/71/13/22/1328711322.db2.gz AOPDUSOASZNCGE-CQSZACIVSA-N 1 1 348.319 3.121 10 10 EGCEMO C[C@H](NC(=O)NC[C@@H]1CC[N@H+]1C1CCCC1)c1ccc(N(C)C)cc1 ZINC000858369736 1328747437 /nfs/dbraw/zinc/74/74/37/1328747437.db2.gz WVKNKKQFFLGOSS-KXBFYZLASA-N 1 1 344.503 3.130 10 10 EGCEMO CCOC(=O)[C@@H]1C[C@H]1C[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000929969806 1328752490 /nfs/dbraw/zinc/75/24/90/1328752490.db2.gz DHNWXWIHYVGQHD-DOTOQJQBSA-N 1 1 329.396 3.187 10 10 EGCEMO Cc1cc(C(=O)N[C@H]2CCC[N@H+](C)C2)c(C)n1-c1cccc(C)c1 ZINC000918708027 1321980336 /nfs/dbraw/zinc/98/03/36/1321980336.db2.gz HNTWESSOHXYLTJ-KRWDZBQOSA-N 1 1 325.456 3.227 10 10 EGCEMO Oc1c(F)cc(F)cc1C[NH2+]CC[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000922673860 1322585179 /nfs/dbraw/zinc/58/51/79/1322585179.db2.gz VENWVEKIIYQMOA-CMPLNLGQSA-N 1 1 325.277 3.260 10 10 EGCEMO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CNCC3(CCOCC3)C2)c1O ZINC000925793222 1325303797 /nfs/dbraw/zinc/30/37/97/1325303797.db2.gz RHYIJKCSFWMMRM-DZGCQCFKSA-N 1 1 338.879 3.163 10 10 EGCEMO C[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1ccc(Br)cc1[O-] ZINC000925800824 1325307860 /nfs/dbraw/zinc/30/78/60/1325307860.db2.gz ZEKRPUDEHGZTRM-IJLUTSLNSA-N 1 1 327.266 3.051 10 10 EGCEMO C[C@@H]([NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1)c1cc(Cl)c(Cl)cc1O ZINC000926948697 1327791591 /nfs/dbraw/zinc/79/15/91/1327791591.db2.gz OKZSBKNIGWUKIY-MSFDSXBXSA-N 1 1 332.227 3.154 10 10 EGCEMO CCC[C@H](C)[C@@H]1CCC[N@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC001192172823 1367707138 /nfs/dbraw/zinc/70/71/38/1367707138.db2.gz DVOZIMOTBMUSLM-LPHOPBHVSA-N 1 1 331.504 3.269 10 10 EGCEMO CCC[C@@H](C)[C@H]1CCC[N@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC001192172825 1367707232 /nfs/dbraw/zinc/70/72/32/1367707232.db2.gz DVOZIMOTBMUSLM-VQIMIIECSA-N 1 1 331.504 3.269 10 10 EGCEMO O=C(NCc1ccccc1O)[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC001150537227 1379564263 /nfs/dbraw/zinc/56/42/63/1379564263.db2.gz YQYIEOHTEHEFCL-SFHVURJKSA-N 1 1 342.414 3.202 10 10 EGCEMO O=C(NCc1ccccc1O)[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC001150537227 1379564266 /nfs/dbraw/zinc/56/42/66/1379564266.db2.gz YQYIEOHTEHEFCL-SFHVURJKSA-N 1 1 342.414 3.202 10 10 EGCEMO Cc1cc(CNC(=O)CC[N@H+]2CC[C@@H](F)C2)c(C)n1-c1ccccc1 ZINC001151153956 1379668874 /nfs/dbraw/zinc/66/88/74/1379668874.db2.gz PSHCQKJTIYOOHN-GOSISDBHSA-N 1 1 343.446 3.144 10 10 EGCEMO CCCN(CC(F)(F)F)C(=O)C[N@@H+](CCC)Cc1ccccc1O ZINC001328757039 1388846219 /nfs/dbraw/zinc/84/62/19/1388846219.db2.gz VEXXIEGIKTTZNA-UHFFFAOYSA-N 1 1 346.393 3.405 10 10 EGCEMO C[N@@H+](CCNC(=O)c1ccc(N=NC(N)=O)cc1)CC1CCCCC1 ZINC001492888585 1396328205 /nfs/dbraw/zinc/32/82/05/1396328205.db2.gz XAONFOVUQCTEAJ-UHFFFAOYSA-N 1 1 345.447 3.091 10 10 EGCEMO CC/C=C\CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001699642282 1413022070 /nfs/dbraw/zinc/02/20/70/1413022070.db2.gz MXCFVAYQNWKCMY-FETBWYICSA-N 1 1 343.431 3.009 10 10 EGCEMO COc1cccc(C[NH2+][C@@H](C)c2ccc(N3CCN(C)CC3)cc2)c1 ZINC000071825381 454226021 /nfs/dbraw/zinc/22/60/21/454226021.db2.gz GXHKGNBYDMALNE-KRWDZBQOSA-N 1 1 339.483 3.298 10 10 EGCEMO CCOc1ccc(O)c(C[N@H+]2CC[C@H](CNc3ccccn3)C2)c1 ZINC000092812855 454637401 /nfs/dbraw/zinc/63/74/01/454637401.db2.gz IQFOZTORZPUPIG-OAHLLOKOSA-N 1 1 327.428 3.120 10 10 EGCEMO CCOc1ccc(O)c(C[N@@H+]2CCO[C@@H](c3cccc(OC)c3)C2)c1 ZINC000093080310 454679014 /nfs/dbraw/zinc/67/90/14/454679014.db2.gz PHCXYZBDHIVUKZ-HXUWFJFHSA-N 1 1 343.423 3.373 10 10 EGCEMO CCOc1ccc(O)c(C[N@H+]2CCO[C@@H](c3cccc(OC)c3)C2)c1 ZINC000093080310 454679016 /nfs/dbraw/zinc/67/90/16/454679016.db2.gz PHCXYZBDHIVUKZ-HXUWFJFHSA-N 1 1 343.423 3.373 10 10 EGCEMO Oc1ccc2ccccc2c1C[N@H+]1CCCN(c2cccnn2)CC1 ZINC000156318963 455104056 /nfs/dbraw/zinc/10/40/56/455104056.db2.gz LMHCATWKPJOBLT-UHFFFAOYSA-N 1 1 334.423 3.048 10 10 EGCEMO Cc1nc(CN2CCC[N@H+](Cc3ccc(N(C)C)cc3)CC2)cs1 ZINC000157227098 455174344 /nfs/dbraw/zinc/17/43/44/455174344.db2.gz WAIOWOCAYIGWLS-UHFFFAOYSA-N 1 1 344.528 3.225 10 10 EGCEMO CC(C)[N@H+]1C[C@H](N[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)[C@@H](C)C1 ZINC000181284915 455312814 /nfs/dbraw/zinc/31/28/14/455312814.db2.gz HBVIXBOFOPPBQA-BXWFABGCSA-N 1 1 349.494 3.042 10 10 EGCEMO CC(C)[N@@H+]1C[C@H](N[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)[C@@H](C)C1 ZINC000181284915 455312817 /nfs/dbraw/zinc/31/28/17/455312817.db2.gz HBVIXBOFOPPBQA-BXWFABGCSA-N 1 1 349.494 3.042 10 10 EGCEMO COc1cc(O)c(C[N@H+]2C[C@@H](c3ccsc3)O[C@@H](C)C2)cc1OC ZINC000245537338 455324147 /nfs/dbraw/zinc/32/41/47/455324147.db2.gz IWEORCTWEHALLY-SGTLLEGYSA-N 1 1 349.452 3.433 10 10 EGCEMO COc1cc(O)c(C[N@@H+]2C[C@@H](c3ccsc3)O[C@@H](C)C2)cc1OC ZINC000245537338 455324152 /nfs/dbraw/zinc/32/41/52/455324152.db2.gz IWEORCTWEHALLY-SGTLLEGYSA-N 1 1 349.452 3.433 10 10 EGCEMO CCC[N@@H+](Cc1ccccc1O)CC1(O)CCC(C(=O)OCC)CC1 ZINC000190919959 455406116 /nfs/dbraw/zinc/40/61/16/455406116.db2.gz CQYLTQBOQHQGIW-UHFFFAOYSA-N 1 1 349.471 3.089 10 10 EGCEMO Cc1cc(Cl)cc(C[N@@H+]2CCSC[C@@H]2c2cnn(C)c2)c1O ZINC000191734977 455515736 /nfs/dbraw/zinc/51/57/36/455515736.db2.gz MSZGEUNJNQAABE-OAHLLOKOSA-N 1 1 337.876 3.378 10 10 EGCEMO COc1c(O)c(C[N@H+]2CC[C@@H](C(F)(F)F)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000294980156 455834129 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EGCEMO Oc1c(Br)cccc1C[NH2+]C[C@H]1CC2(CCC2)CO1 ZINC000886289247 1303422651 /nfs/dbraw/zinc/42/26/51/1303422651.db2.gz QVIWCQITVKFDSZ-GFCCVEGCSA-N 1 1 326.234 3.204 10 10 EGCEMO CC[N@@H+](Cc1c2c(nn1C)CCSC2)Cc1ccc(N(C)C)cc1 ZINC000893871261 1306106758 /nfs/dbraw/zinc/10/67/58/1306106758.db2.gz HRWXNVFDSKLTRY-UHFFFAOYSA-N 1 1 344.528 3.298 10 10 EGCEMO COc1cc(C)cc(C[N@H+]2Cc3cnn(C)c3CC(C)(C)C2)c1O ZINC000895365293 1309302674 /nfs/dbraw/zinc/30/26/74/1309302674.db2.gz ZRABITGVNIRAAC-UHFFFAOYSA-N 1 1 329.444 3.027 10 10 EGCEMO COc1cc(C)cc(C[N@H+]2CC[C@H](O)C[C@@H]2c2ccccc2)c1O ZINC000895422819 1309330785 /nfs/dbraw/zinc/33/07/85/1309330785.db2.gz PCGYPCFBAVSQIU-ZWKOTPCHSA-N 1 1 327.424 3.407 10 10 EGCEMO COc1cc(C)cc(C[N@H+]2CC[C@@H](O)C[C@@H]2c2ccccc2)c1O ZINC000895422817 1309330855 /nfs/dbraw/zinc/33/08/55/1309330855.db2.gz PCGYPCFBAVSQIU-QZTJIDSGSA-N 1 1 327.424 3.407 10 10 EGCEMO OC1CCN(c2ccc(C[N@H+]3CC[C@H](c4nccs4)C3)cc2)CC1 ZINC000895580629 1309413198 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/nfs/dbraw/zinc/69/41/05/1386694105.db2.gz FXTFVMSVHIAKKK-HXUWFJFHSA-N 1 1 337.467 3.158 10 10 EGCEMO CN(C)c1ccc(C[N@@H+](C)CN2CC[C@H](c3ccccc3)C2=O)cc1 ZINC001320696201 1386694109 /nfs/dbraw/zinc/69/41/09/1386694109.db2.gz FXTFVMSVHIAKKK-HXUWFJFHSA-N 1 1 337.467 3.158 10 10 EGCEMO CCC(CC)C[N@@H+](C)C[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001322305382 1387151328 /nfs/dbraw/zinc/15/13/28/1387151328.db2.gz DKMCDRVSCYHJCT-ZDUSSCGKSA-N 1 1 347.463 3.335 10 10 EGCEMO COC(=O)c1c(C[NH2+]Cc2cnc(C)s2)c2cc(F)ccc2n1C ZINC001331534235 1389787142 /nfs/dbraw/zinc/78/71/42/1389787142.db2.gz RWXASGRMMSBKAB-UHFFFAOYSA-N 1 1 347.415 3.159 10 10 EGCEMO CCCC[N@H+]1CC[C@H](CCNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001481461677 1394317138 /nfs/dbraw/zinc/31/71/38/1394317138.db2.gz GQTMYQYGCNZUIH-AWEZNQCLSA-N 1 1 345.447 3.091 10 10 EGCEMO COc1ccc(O)c(C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccccc2)c1 ZINC000245654143 455349031 /nfs/dbraw/zinc/34/90/31/455349031.db2.gz IJEHCCOOSZPCJL-FXAWDEMLSA-N 1 1 327.424 3.489 10 10 EGCEMO NC(=O)[C@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000119755600 454218249 /nfs/dbraw/zinc/21/82/49/454218249.db2.gz ICYNKAANBDSIFO-OAQYLSRUSA-N 1 1 349.478 3.089 10 10 EGCEMO NC(=O)[C@H]1Cc2ccccc2C[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000119755600 454218256 /nfs/dbraw/zinc/21/82/56/454218256.db2.gz ICYNKAANBDSIFO-OAQYLSRUSA-N 1 1 349.478 3.089 10 10 EGCEMO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCCn3nc(COC)nc32)cc1 ZINC000125176627 454802084 /nfs/dbraw/zinc/80/20/84/454802084.db2.gz FNGJWDXVPZZELA-WMLDXEAASA-N 1 1 343.475 3.066 10 10 EGCEMO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1ccc(N(C)CC)cc1 ZINC000167762304 454923793 /nfs/dbraw/zinc/92/37/93/454923793.db2.gz QLJCYAHLEKYYIR-YOEHRIQHSA-N 1 1 327.476 3.482 10 10 EGCEMO Cc1ncsc1CN(C)C[C@@H]1CC[N@@H+](Cc2cccc(C)c2O)C1 ZINC000190470559 455325347 /nfs/dbraw/zinc/32/53/47/455325347.db2.gz DFVPPQOEFHZMBL-INIZCTEOSA-N 1 1 345.512 3.419 10 10 EGCEMO COc1c(O)c(C[N@H+]2CCCC[C@@H]2c2cccn2C)ccc1[N+](=O)[O-] ZINC000278210001 455787687 /nfs/dbraw/zinc/78/76/87/455787687.db2.gz KFFJSXCWXFPDLQ-OAHLLOKOSA-N 1 1 345.399 3.375 10 10 EGCEMO CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000294882756 455830732 /nfs/dbraw/zinc/83/07/32/455830732.db2.gz QVTPJQAFFZJEMM-SFHVURJKSA-N 1 1 343.496 3.095 10 10 EGCEMO Oc1cc(F)c(Cl)cc1C[NH2+]C[C@H](O)Cc1cccc(F)c1 ZINC000295046964 455836911 /nfs/dbraw/zinc/83/69/11/455836911.db2.gz FKBAGFJQOJYCFL-CYBMUJFWSA-N 1 1 327.758 3.017 10 10 EGCEMO CCCN(CCC)c1ccc(C[N@H+]2CC[C@@]3(CNC(=O)C3)C2)cc1 ZINC000279330801 455862758 /nfs/dbraw/zinc/86/27/58/455862758.db2.gz DAUVUWIUOAKHKP-HXUWFJFHSA-N 1 1 329.488 3.025 10 10 EGCEMO CC[C@@H]([NH2+]CCCNC(=O)c1cccs1)c1ccc(F)cc1O ZINC000286281813 456015248 /nfs/dbraw/zinc/01/52/48/456015248.db2.gz VZYOXARVVSSOHO-CQSZACIVSA-N 1 1 336.432 3.454 10 10 EGCEMO Cn1nccc1C1=CC[N@@H+](Cc2cc(Br)ccc2O)CC1 ZINC000289320753 456122189 /nfs/dbraw/zinc/12/21/89/456122189.db2.gz FQQLTUCFSCUYHF-UHFFFAOYSA-N 1 1 348.244 3.178 10 10 EGCEMO c1cc(N2CCCCC2)ccc1C[N@H+]1CCO[C@]2(CCCOC2)C1 ZINC000289639667 456133383 /nfs/dbraw/zinc/13/33/83/456133383.db2.gz XMQSCPIJBYMDGU-HXUWFJFHSA-N 1 1 330.472 3.058 10 10 EGCEMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2cc(F)ccc2OC)c1 ZINC000275287240 456272130 /nfs/dbraw/zinc/27/21/30/456272130.db2.gz FSFCEHJNRPYRLJ-NSHDSACASA-N 1 1 333.359 3.177 10 10 EGCEMO COc1ccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2cccc(C)c2O)cc1 ZINC000378444400 457397252 /nfs/dbraw/zinc/39/72/52/457397252.db2.gz WRQIVZTZYSBNIB-SFHVURJKSA-N 1 1 340.423 3.312 10 10 EGCEMO COc1c(O)c(C[NH+]2CCC(c3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC000365793190 457777207 /nfs/dbraw/zinc/77/72/07/457777207.db2.gz FOICAYWNXLFCNZ-UHFFFAOYSA-N 1 1 343.383 3.084 10 10 EGCEMO COc1ccc(N2CCC[N@H+](Cc3ncc(C4CC4)o3)CC2)cc1 ZINC000372842427 458333960 /nfs/dbraw/zinc/33/39/60/458333960.db2.gz YYHHTPZHIZDKRT-UHFFFAOYSA-N 1 1 327.428 3.273 10 10 EGCEMO COc1ccc(N2CCC[N@@H+](Cc3ncc(C4CC4)o3)CC2)cc1 ZINC000372842427 458333964 /nfs/dbraw/zinc/33/39/64/458333964.db2.gz YYHHTPZHIZDKRT-UHFFFAOYSA-N 1 1 327.428 3.273 10 10 EGCEMO Cc1cc(Cl)cc(C[N@@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)c1O ZINC000373634859 458559814 /nfs/dbraw/zinc/55/98/14/458559814.db2.gz GEFSISIJAOKJIM-SUMWQHHRSA-N 1 1 325.836 3.124 10 10 EGCEMO COc1ccc(CN2CC[C@@H]2C[NH2+][C@@H](C)c2ccc(F)cc2O)cc1 ZINC000527967283 459783879 /nfs/dbraw/zinc/78/38/79/459783879.db2.gz JBDXPMAZZUUXMX-WMLDXEAASA-N 1 1 344.430 3.465 10 10 EGCEMO Cc1cccc(C[N@H+]2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)c1O ZINC000248577497 1296421339 /nfs/dbraw/zinc/42/13/39/1296421339.db2.gz DVCOYBJWJTTXNX-XIRDDKMYSA-N 1 1 346.471 3.436 10 10 EGCEMO Oc1ccc(Cl)c(F)c1C[NH2+]C[C@H](n1cccn1)C(F)(F)F ZINC000858209281 1328712160 /nfs/dbraw/zinc/71/21/60/1328712160.db2.gz HOYQYZPYDRASED-NSHDSACASA-N 1 1 337.704 3.274 10 10 EGCEMO Cc1cc(Br)c(O)c(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)c1 ZINC000858299120 1328732900 /nfs/dbraw/zinc/73/29/00/1328732900.db2.gz PMGIRPDCGLHYIG-JSGCOSHPSA-N 1 1 326.234 3.120 10 10 EGCEMO Cc1cc(C(=O)N[C@@H]2CCC[N@H+](C)C2)c(C)n1-c1ccc(F)cc1 ZINC000918709226 1321981748 /nfs/dbraw/zinc/98/17/48/1321981748.db2.gz YNTMWONGRPMUFH-MRXNPFEDSA-N 1 1 329.419 3.057 10 10 EGCEMO CN(C)c1ccc(C[NH2+]Cc2csc(-c3ccn(C)n3)n2)cc1F ZINC000921624435 1322365579 /nfs/dbraw/zinc/36/55/79/1322365579.db2.gz RNONCTHRZNYPBB-UHFFFAOYSA-N 1 1 345.447 3.039 10 10 EGCEMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2CCCc3cccnc32)c1 ZINC000927063752 1327836776 /nfs/dbraw/zinc/83/67/76/1327836776.db2.gz JCQBQZVQPGQXMJ-LRDDRELGSA-N 1 1 326.396 3.302 10 10 EGCEMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H](C2CC2)[C@@H]2CCCOC2)c1 ZINC000927071234 1327841676 /nfs/dbraw/zinc/84/16/76/1327841676.db2.gz XMXBGYSEYHEYDO-WBHUJUFNSA-N 1 1 333.428 3.035 10 10 EGCEMO C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC001141737622 1378368467 /nfs/dbraw/zinc/36/84/67/1378368467.db2.gz BHWLGQNEBYUKPA-MFKMUULPSA-N 1 1 345.270 3.436 10 10 EGCEMO CCC[N@H+]1CCC[C@@H](C(=O)NCc2ccc(N(CC)CC)c(F)c2)C1 ZINC001144979003 1378786349 /nfs/dbraw/zinc/78/63/49/1378786349.db2.gz YQZQOSMKQBKHME-QGZVFWFLSA-N 1 1 349.494 3.410 10 10 EGCEMO CCc1[nH+]ccn1CCNC(=O)c1sccc1-n1c(C)ccc1C ZINC001177513663 1385982483 /nfs/dbraw/zinc/98/24/83/1385982483.db2.gz HHJKIHXXMJYKJG-UHFFFAOYSA-N 1 1 342.468 3.345 10 10 EGCEMO C[C@H](NC(=O)[C@H]1CC[C@H]2C[C@@H](C)C[N@H+]2C1)c1ccc(N(C)C)cc1 ZINC001346765262 1390978221 /nfs/dbraw/zinc/97/82/21/1390978221.db2.gz VCQPGEZOSSIJGJ-YEWFCNIMSA-N 1 1 329.488 3.050 10 10 EGCEMO Cc1ccsc1[C@H](CO)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC001351314104 1391625388 /nfs/dbraw/zinc/62/53/88/1391625388.db2.gz GDFHZVRCOVHIOZ-AWEZNQCLSA-N 1 1 326.412 3.224 10 10 EGCEMO CC(C)(C)CCC[NH+]1CC(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001714956058 1419696845 /nfs/dbraw/zinc/69/68/45/1419696845.db2.gz YMFSQBYZXBVWSI-UHFFFAOYSA-N 1 1 345.447 3.089 10 10 EGCEMO Cc1cc(C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)c(C)n1-c1ccccc1 ZINC000095392649 218324405 /nfs/dbraw/zinc/32/44/05/218324405.db2.gz OEQNYSKMTROIMG-LJQANCHMSA-N 1 1 337.467 3.404 10 10 EGCEMO COc1cccc(C[NH2+][C@H](C)c2ccc(N3CCN(C)CC3)cc2)c1 ZINC000071825382 454225796 /nfs/dbraw/zinc/22/57/96/454225796.db2.gz GXHKGNBYDMALNE-QGZVFWFLSA-N 1 1 339.483 3.298 10 10 EGCEMO CC[C@H]([NH2+][C@H](C)c1nnc2n1CCCC2)c1ccc(N(C)C)cc1 ZINC000130973322 454229104 /nfs/dbraw/zinc/22/91/04/454229104.db2.gz FTSRPTADTMFOEN-PBHICJAKSA-N 1 1 327.476 3.482 10 10 EGCEMO C[C@H]([NH2+]C[C@H](O)CN1CCCCC1)c1ccc(N2CCCCC2)cc1 ZINC000151244270 454958095 /nfs/dbraw/zinc/95/80/95/454958095.db2.gz VIALHGFCRCOJGX-RXVVDRJESA-N 1 1 345.531 3.174 10 10 EGCEMO Oc1ccc(Cl)c(F)c1C[N@@H+]1CCCN(c2ccccn2)CC1 ZINC000191495626 455490504 /nfs/dbraw/zinc/49/05/04/455490504.db2.gz VMDJHGIJZRBJDO-UHFFFAOYSA-N 1 1 335.810 3.292 10 10 EGCEMO Oc1ccc(Cl)c(F)c1C[N@H+]1CCCN(c2ccccn2)CC1 ZINC000191495626 455490509 /nfs/dbraw/zinc/49/05/09/455490509.db2.gz VMDJHGIJZRBJDO-UHFFFAOYSA-N 1 1 335.810 3.292 10 10 EGCEMO COc1ccc(OC)c(C[NH2+]Cc2cc(Cl)c(F)cc2O)c1 ZINC000293783480 455797569 /nfs/dbraw/zinc/79/75/69/455797569.db2.gz BEGFLBJOLWDBJI-UHFFFAOYSA-N 1 1 325.767 3.492 10 10 EGCEMO NC(=O)c1cccc(C[N@H+](Cc2cc(Cl)c(F)cc2O)C2CC2)c1 ZINC000294821493 455828233 /nfs/dbraw/zinc/82/82/33/455828233.db2.gz OYUXBTBNNAGLJF-UHFFFAOYSA-N 1 1 348.805 3.448 10 10 EGCEMO NC(=O)c1cccc(C[N@@H+](Cc2cc(Cl)c(F)cc2O)C2CC2)c1 ZINC000294821493 455828237 /nfs/dbraw/zinc/82/82/37/455828237.db2.gz OYUXBTBNNAGLJF-UHFFFAOYSA-N 1 1 348.805 3.448 10 10 EGCEMO Cc1cc(Cl)cc(C[N@H+]2C[C@@]3(CCOC3)OC(C)(C)C2)c1O ZINC000280325325 455948008 /nfs/dbraw/zinc/94/80/08/455948008.db2.gz QPRDZKXRHPMALT-QGZVFWFLSA-N 1 1 325.836 3.124 10 10 EGCEMO Cc1cc(Br)cc(C[N@H+](C)[C@H]2CC[C@H](O)CC2)c1O ZINC000275879035 456339744 /nfs/dbraw/zinc/33/97/44/456339744.db2.gz AVQJAUUWHWKZJZ-HDJSIYSDSA-N 1 1 328.250 3.198 10 10 EGCEMO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCC[C@H](C)F)C1 ZINC000356713634 457129726 /nfs/dbraw/zinc/12/97/26/457129726.db2.gz WZOFSDMJNJADLW-HNNXBMFYSA-N 1 1 345.462 3.272 10 10 EGCEMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC[C@H](C)C2)C1 ZINC000444134522 457858063 /nfs/dbraw/zinc/85/80/63/457858063.db2.gz AHIUYMSEUJUAMX-INIZCTEOSA-N 1 1 339.483 3.276 10 10 EGCEMO C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2O)C[C@]2(CCO[C@H](C)C2)O1 ZINC000366790791 457899345 /nfs/dbraw/zinc/89/93/45/457899345.db2.gz BFGNNARNFBOMLC-PBFPGSCMSA-N 1 1 325.836 3.204 10 10 EGCEMO Cc1cc(F)ccc1N1CCC[C@H]([N@@H+](C)Cc2ccccc2O)C1=O ZINC000735309091 575639116 /nfs/dbraw/zinc/63/91/16/575639116.db2.gz FPLVBZJZPWYXEE-SFHVURJKSA-N 1 1 342.414 3.467 10 10 EGCEMO C[N@H+](Cc1cnccn1)Cc1ccc(OCc2ccccc2)cc1O ZINC000183021066 1295093217 /nfs/dbraw/zinc/09/32/17/1295093217.db2.gz WDPXXXLGLSEVHU-UHFFFAOYSA-N 1 1 335.407 3.393 10 10 EGCEMO C[N@@H+](Cc1cnccn1)Cc1ccc(OCc2ccccc2)cc1O ZINC000183021066 1295093230 /nfs/dbraw/zinc/09/32/30/1295093230.db2.gz WDPXXXLGLSEVHU-UHFFFAOYSA-N 1 1 335.407 3.393 10 10 EGCEMO Oc1c(F)cc(F)cc1C[NH2+]CC[C@H]1CCC2(CCOCC2)CO1 ZINC000886297299 1303425722 /nfs/dbraw/zinc/42/57/22/1303425722.db2.gz NCCMHCHGPVQUIQ-OAHLLOKOSA-N 1 1 341.398 3.126 10 10 EGCEMO Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@@H]([C@@H]3CCCO3)C2)c1 ZINC000895848474 1309557243 /nfs/dbraw/zinc/55/72/43/1309557243.db2.gz RJYRZGYFJUJHQO-DOMZBBRYSA-N 1 1 340.261 3.464 10 10 EGCEMO Cc1cc(Br)c(O)c(C[N@H+]2CC[C@@H]([C@@H]3CCCO3)C2)c1 ZINC000895848474 1309557252 /nfs/dbraw/zinc/55/72/52/1309557252.db2.gz RJYRZGYFJUJHQO-DOMZBBRYSA-N 1 1 340.261 3.464 10 10 EGCEMO C[C@@H]([NH2+]C[C@@H](n1cccn1)C(F)(F)F)c1cc(F)cc(F)c1O ZINC000858449565 1328765704 /nfs/dbraw/zinc/76/57/04/1328765704.db2.gz OHJPBUPAYAGXDO-PRHODGIISA-N 1 1 335.276 3.321 10 10 EGCEMO Cc1cc(C(=O)C[N@@H+](CCO)C(C)C)c(C)n1-c1ccc(F)cc1 ZINC000916645067 1319691067 /nfs/dbraw/zinc/69/10/67/1319691067.db2.gz QGBXFZJIUKFHIM-UHFFFAOYSA-N 1 1 332.419 3.119 10 10 EGCEMO Cc1cc(C(=O)C[N@H+](CCO)C(C)C)c(C)n1-c1ccc(F)cc1 ZINC000916645067 1319691076 /nfs/dbraw/zinc/69/10/76/1319691076.db2.gz QGBXFZJIUKFHIM-UHFFFAOYSA-N 1 1 332.419 3.119 10 10 EGCEMO CCO[C@@H](C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-])C[NH+](C)C ZINC000926958284 1327797955 /nfs/dbraw/zinc/79/79/55/1327797955.db2.gz GCPYQPPBHJUXAM-QWRGUYRKSA-N 1 1 335.275 3.316 10 10 EGCEMO C[C@H]1C[C@H](N(C)Cc2c(O)cccc2Br)CC[N@H+]1C ZINC000862248592 1329471106 /nfs/dbraw/zinc/47/11/06/1329471106.db2.gz NNSCHSCZUZXNJW-NWDGAFQWSA-N 1 1 327.266 3.069 10 10 EGCEMO C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1cc(Br)cc(Cl)c1[O-] ZINC000863547744 1329562352 /nfs/dbraw/zinc/56/23/52/1329562352.db2.gz XNRLRJDEDWQRCH-RGNHYFCHSA-N 1 1 333.657 3.209 10 10 EGCEMO CCOCc1cc(C[NH2+]Cc2nn(C)cc2C(F)F)ccc1OC ZINC000865809578 1329741003 /nfs/dbraw/zinc/74/10/03/1329741003.db2.gz XWWKZIWJGIKFRA-UHFFFAOYSA-N 1 1 339.386 3.193 10 10 EGCEMO COc1ccc(N(C)CCN(C)C[C@H]2CCCC[N@H+]2C(C)C)cc1 ZINC001195787564 1368490207 /nfs/dbraw/zinc/49/02/07/1368490207.db2.gz ABBJXQRFBMOGKB-LJQANCHMSA-N 1 1 333.520 3.326 10 10 EGCEMO Cc1cc(CC(=O)N(C)CC[N@@H+](C)C2CC2)c(C)n1-c1ccccc1 ZINC001138308155 1377699321 /nfs/dbraw/zinc/69/93/21/1377699321.db2.gz ALWLYLXHZPDXRF-UHFFFAOYSA-N 1 1 339.483 3.189 10 10 EGCEMO COC1CCN(c2ccc(C[N@H+]3CC[C@H]4[C@@H](C3)C4(F)F)cc2)CC1 ZINC001168308317 1383869270 /nfs/dbraw/zinc/86/92/70/1383869270.db2.gz GSCZOBDMXDMZIE-ZWKOTPCHSA-N 1 1 336.426 3.389 10 10 EGCEMO COc1ccc(N2CC[NH+](Cc3c(C)nsc3C)CC2)c(OC)c1 ZINC001175522089 1385319835 /nfs/dbraw/zinc/31/98/35/1385319835.db2.gz CNLWHYSEHWFMOJ-UHFFFAOYSA-N 1 1 347.484 3.099 10 10 EGCEMO Cc1cc(NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc(C)[nH+]1 ZINC001320089585 1386503330 /nfs/dbraw/zinc/50/33/30/1386503330.db2.gz KTYFMYLTVQTJKX-UHFFFAOYSA-N 1 1 338.455 3.383 10 10 EGCEMO CC[N@@H+](CCCNC(=O)c1ccc(N=NC(N)=O)cc1)CC1CCC1 ZINC001479863045 1392441655 /nfs/dbraw/zinc/44/16/55/1392441655.db2.gz ZWLWBEDGYZPBMA-UHFFFAOYSA-N 1 1 345.447 3.091 10 10 EGCEMO CCCC[N@H+]1CC[C@@H](CCNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001481461678 1394317164 /nfs/dbraw/zinc/31/71/64/1394317164.db2.gz GQTMYQYGCNZUIH-CQSZACIVSA-N 1 1 345.447 3.091 10 10 EGCEMO c1ncn([C@@H]2CCC[N@H+](Cc3ccc(N4CCCCC4)cc3)C2)n1 ZINC000179464661 455050143 /nfs/dbraw/zinc/05/01/43/455050143.db2.gz RZKSFQDLDKAWII-LJQANCHMSA-N 1 1 325.460 3.106 10 10 EGCEMO Cc1nc(C)n(C[C@H]2CCC[N@@H+](Cc3cc(Cl)cc(C)c3O)C2)n1 ZINC000180121536 455135075 /nfs/dbraw/zinc/13/50/75/455135075.db2.gz SVYLMSGBPUTADX-HNNXBMFYSA-N 1 1 348.878 3.475 10 10 EGCEMO COc1cc(O)c(C[N@H+]2CCCC[C@H]2c2cccn2C)cc1OC ZINC000180638293 455214945 /nfs/dbraw/zinc/21/49/45/455214945.db2.gz VNAHXJKVIAYEKQ-INIZCTEOSA-N 1 1 330.428 3.475 10 10 EGCEMO CCOc1ccc(O)c(C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)c1 ZINC000245699582 455358956 /nfs/dbraw/zinc/35/89/56/455358956.db2.gz BITJDOCURUIKOG-MAUKXSAKSA-N 1 1 331.412 3.472 10 10 EGCEMO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3c(O)ccc4ccccc43)[C@H]2C1 ZINC000246450208 455492119 /nfs/dbraw/zinc/49/21/19/455492119.db2.gz IXAXDSVPEJAQSJ-BPAFIMBUSA-N 1 1 327.424 3.314 10 10 EGCEMO C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1O)c1ccc(S(C)(=O)=O)cc1 ZINC000185170446 455515042 /nfs/dbraw/zinc/51/50/42/455515042.db2.gz QOFGRRHGIKRCDA-RYUDHWBXSA-N 1 1 337.416 3.347 10 10 EGCEMO C[C@@H]([NH2+]CCCN1CCCC1=O)c1cc(Cl)c(Cl)cc1O ZINC000192613326 455654140 /nfs/dbraw/zinc/65/41/40/455654140.db2.gz GWWVHZRFZMXRMI-SNVBAGLBSA-N 1 1 331.243 3.362 10 10 EGCEMO Cc1cc(C[C@@H](C)[NH2+][C@@H](C)c2ccc(Br)cc2O)n[nH]1 ZINC000186131486 455699540 /nfs/dbraw/zinc/69/95/40/455699540.db2.gz UXDZAQXTJKFVTC-KOLCDFICSA-N 1 1 338.249 3.468 10 10 EGCEMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)c2cccc(O)c2O)cc1 ZINC000193129115 455744571 /nfs/dbraw/zinc/74/45/71/455744571.db2.gz HNZRLPOPCMJXPC-GFCCVEGCSA-N 1 1 337.379 3.083 10 10 EGCEMO CCC[N@@H+](Cc1cccc(S(C)(=O)=O)c1)Cc1ccccc1O ZINC000294975101 455834760 /nfs/dbraw/zinc/83/47/60/455834760.db2.gz XCAJCARJTUVULE-UHFFFAOYSA-N 1 1 333.453 3.208 10 10 EGCEMO COC[C@H]([NH2+][C@H](C)c1cc(C(=O)OC)ccc1O)c1ccccc1 ZINC000273347888 456223686 /nfs/dbraw/zinc/22/36/86/456223686.db2.gz BAYDSGFWXFYNJK-DYVFJYSZSA-N 1 1 329.396 3.217 10 10 EGCEMO Cc1noc(C)c1CO[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000370740305 457710231 /nfs/dbraw/zinc/71/02/31/457710231.db2.gz RXDRPAVTCXQOQI-HNNXBMFYSA-N 1 1 336.819 3.442 10 10 EGCEMO Cc1cc(Cl)cc(C[N@@H+]2CCCC[C@H]2CCS(C)(=O)=O)c1O ZINC000367832684 457983834 /nfs/dbraw/zinc/98/38/34/457983834.db2.gz OUEHYLVGMLGIFX-HNNXBMFYSA-N 1 1 345.892 3.143 10 10 EGCEMO Cc1cc(Cl)cc(C[N@H+]2CCCC[C@H]2CCS(C)(=O)=O)c1O ZINC000367832684 457983841 /nfs/dbraw/zinc/98/38/41/457983841.db2.gz OUEHYLVGMLGIFX-HNNXBMFYSA-N 1 1 345.892 3.143 10 10 EGCEMO COc1cc(Br)cc(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)c1O ZINC000093442998 1292921313 /nfs/dbraw/zinc/92/13/13/1292921313.db2.gz GPVBUGTXOBMUPH-PHIMTYICSA-N 1 1 326.234 3.395 10 10 EGCEMO COc1ccc(C[N@@H+]2CCC[C@H]2C(=O)OCc2ccccc2)c(O)c1 ZINC000126426971 1293534937 /nfs/dbraw/zinc/53/49/37/1293534937.db2.gz PXTFXCYLXLVSHS-SFHVURJKSA-N 1 1 341.407 3.109 10 10 EGCEMO COc1ccc(C[N@H+]2CCC[C@H]2C(=O)OCc2ccccc2)c(O)c1 ZINC000126426971 1293534941 /nfs/dbraw/zinc/53/49/41/1293534941.db2.gz PXTFXCYLXLVSHS-SFHVURJKSA-N 1 1 341.407 3.109 10 10 EGCEMO C[C@H]([NH2+]CCC[C@H]1CCOC1=O)c1cccc(C(F)(F)F)c1O ZINC000872114920 1296742292 /nfs/dbraw/zinc/74/22/92/1296742292.db2.gz YTFUMSYDVYOEGG-QWRGUYRKSA-N 1 1 331.334 3.405 10 10 EGCEMO [O-]c1ccc(Br)cc1C[NH+]1CCC2(CC[NH2+]CC2)CC1 ZINC000313004982 1297120719 /nfs/dbraw/zinc/12/07/19/1297120719.db2.gz VGHSSSQXKPDVGI-UHFFFAOYSA-N 1 1 339.277 3.120 10 10 EGCEMO COC(=O)c1c(C[N@@H+](C)[C@H]2CCSC2)c2cc(F)ccc2n1C ZINC000893929034 1306133651 /nfs/dbraw/zinc/13/36/51/1306133651.db2.gz KNDIRZQSLBBTPC-LBPRGKRZSA-N 1 1 336.432 3.041 10 10 EGCEMO Oc1ccc(Cl)c(F)c1C[NH2+]C[C@@H](n1cccn1)C(F)(F)F ZINC000858209280 1328711834 /nfs/dbraw/zinc/71/18/34/1328711834.db2.gz HOYQYZPYDRASED-LLVKDONJSA-N 1 1 337.704 3.274 10 10 EGCEMO c1cncc(C2=CCC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)c1 ZINC000930486523 1328872375 /nfs/dbraw/zinc/87/23/75/1328872375.db2.gz PYJAURZJOUDDNG-UHFFFAOYSA-N 1 1 335.451 3.208 10 10 EGCEMO COc1cncc(C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)n1 ZINC000859060242 1328915963 /nfs/dbraw/zinc/91/59/63/1328915963.db2.gz PLXLZYJHVFNYOY-UHFFFAOYSA-N 1 1 326.444 3.108 10 10 EGCEMO COc1cncc(C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)n1 ZINC000859060242 1328915966 /nfs/dbraw/zinc/91/59/66/1328915966.db2.gz PLXLZYJHVFNYOY-UHFFFAOYSA-N 1 1 326.444 3.108 10 10 EGCEMO CC[N@H+](Cc1c(O)c(C(=O)OC)cc2ccccc21)C[C@H]1CCCO1 ZINC000919948705 1322120809 /nfs/dbraw/zinc/12/08/09/1322120809.db2.gz XTCMQABKWVEPCU-OAHLLOKOSA-N 1 1 343.423 3.333 10 10 EGCEMO Oc1cccc(Br)c1C[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000862309507 1329475230 /nfs/dbraw/zinc/47/52/30/1329475230.db2.gz RIJNXLQZOONXIH-SECBINFHSA-N 1 1 336.176 3.358 10 10 EGCEMO CN(C)c1ccc(/C=C/C[N@H+]2CCc3nc(C4CC4)ncc3C2)cc1 ZINC000862507372 1329491960 /nfs/dbraw/zinc/49/19/60/1329491960.db2.gz BRCKZAVUKZTJQH-ONEGZZNKSA-N 1 1 334.467 3.492 10 10 EGCEMO COc1c(O)c(C[N@@H+]2CC[C@@H](c3ccc(O)cc3)C2)ccc1[N+](=O)[O-] ZINC000862541079 1329494079 /nfs/dbraw/zinc/49/40/79/1329494079.db2.gz OZRCQDHWTCPIIH-CYBMUJFWSA-N 1 1 344.367 3.004 10 10 EGCEMO COc1c(O)c(C[N@H+]2CC[C@@H](c3ccc(O)cc3)C2)ccc1[N+](=O)[O-] ZINC000862541079 1329494080 /nfs/dbraw/zinc/49/40/80/1329494080.db2.gz OZRCQDHWTCPIIH-CYBMUJFWSA-N 1 1 344.367 3.004 10 10 EGCEMO CCOC(=O)c1cc(C[NH2+][C@H](C)c2ccc(N(C)CC)cc2)on1 ZINC000866514687 1330120701 /nfs/dbraw/zinc/12/07/01/1330120701.db2.gz PPSVGGXYLXKYKR-CYBMUJFWSA-N 1 1 331.416 3.158 10 10 EGCEMO C[C@@H](NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)c1ccccc1O ZINC000868449146 1330281795 /nfs/dbraw/zinc/28/17/95/1330281795.db2.gz UGGLLCPNMPFACG-DKSSEZFCSA-N 1 1 339.439 3.198 10 10 EGCEMO O=C(NCc1ccccc1O)[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC001150537226 1379564321 /nfs/dbraw/zinc/56/43/21/1379564321.db2.gz YQYIEOHTEHEFCL-GOSISDBHSA-N 1 1 342.414 3.202 10 10 EGCEMO O=C(NCc1ccccc1O)[C@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC001150537226 1379564327 /nfs/dbraw/zinc/56/43/27/1379564327.db2.gz YQYIEOHTEHEFCL-GOSISDBHSA-N 1 1 342.414 3.202 10 10 EGCEMO CC(C)CCC[N@H+]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001494737578 1396491215 /nfs/dbraw/zinc/49/12/15/1396491215.db2.gz JMTMWDUHKZXXAZ-INIZCTEOSA-N 1 1 345.447 3.089 10 10 EGCEMO CCc1nn(C)c(CC)c1C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000293663986 455793377 /nfs/dbraw/zinc/79/33/77/455793377.db2.gz PTXDRFJLMAFABZ-UHFFFAOYSA-N 1 1 325.815 3.333 10 10 EGCEMO CC1(C)C[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@@]2(CCOC2)O1 ZINC000280154261 455904655 /nfs/dbraw/zinc/90/46/55/455904655.db2.gz DVDBPRDUPHTMKN-MRXNPFEDSA-N 1 1 346.254 3.469 10 10 EGCEMO C[N@H+](Cc1ccc(N2CCCCC2)cc1)C[C@H](O)COC(C)(C)C ZINC000053420223 453877574 /nfs/dbraw/zinc/87/75/74/453877574.db2.gz HCLDMCLKXIDQQN-IBGZPJMESA-N 1 1 334.504 3.285 10 10 EGCEMO COc1ccc(C[NH2+][C@@H](C)c2ccc(N3CCN(C)CC3)cc2)cc1 ZINC000071825379 454225616 /nfs/dbraw/zinc/22/56/16/454225616.db2.gz DQIINXNHBWIGNH-KRWDZBQOSA-N 1 1 339.483 3.298 10 10 EGCEMO O=C1C[C@@H](c2ccccc2)[N@@H+](Cc2cc(Cl)ccc2O)CCN1 ZINC000092075721 454517557 /nfs/dbraw/zinc/51/75/57/454517557.db2.gz MYOXKTCRFBNTGN-INIZCTEOSA-N 1 1 330.815 3.109 10 10 EGCEMO Cc1cccc(C[N@@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)c1O ZINC000179985942 455110953 /nfs/dbraw/zinc/11/09/53/455110953.db2.gz DXTLJUFGSJJOGT-MRXNPFEDSA-N 1 1 326.444 3.356 10 10 EGCEMO Cc1cccc(C[N@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)c1O ZINC000179985942 455110956 /nfs/dbraw/zinc/11/09/56/455110956.db2.gz DXTLJUFGSJJOGT-MRXNPFEDSA-N 1 1 326.444 3.356 10 10 EGCEMO Cc1ncsc1CN(C)C[C@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000190469112 455325293 /nfs/dbraw/zinc/32/52/93/455325293.db2.gz XSCUARTWPFVXHJ-CQSZACIVSA-N 1 1 349.475 3.250 10 10 EGCEMO Cc1cc([C@H]2C[N@H+](Cc3cc4c(cc3O)OCO4)CCO2)ccc1F ZINC000161106506 455533992 /nfs/dbraw/zinc/53/39/92/455533992.db2.gz IFVVXTWMVGNVAE-LJQANCHMSA-N 1 1 345.370 3.142 10 10 EGCEMO Cc1cc([C@H]2C[N@@H+](Cc3cc4c(cc3O)OCO4)CCO2)ccc1F ZINC000161106506 455533994 /nfs/dbraw/zinc/53/39/94/455533994.db2.gz IFVVXTWMVGNVAE-LJQANCHMSA-N 1 1 345.370 3.142 10 10 EGCEMO Oc1cc(F)c(Cl)cc1C[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000294321128 455811606 /nfs/dbraw/zinc/81/16/06/455811606.db2.gz QZKYIKJKQJBYRH-UHFFFAOYSA-N 1 1 335.810 3.470 10 10 EGCEMO C[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)c1nnc2n1CCCCC2 ZINC000324254112 456665183 /nfs/dbraw/zinc/66/51/83/456665183.db2.gz IKYZOPIQNAFOMY-GJZGRUSLSA-N 1 1 327.476 3.482 10 10 EGCEMO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)c1O ZINC000378440689 457396549 /nfs/dbraw/zinc/39/65/49/457396549.db2.gz DHJMDLLYHISPTA-SJORKVTESA-N 1 1 349.862 3.176 10 10 EGCEMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NC2CC(C)C2)C1 ZINC000444295629 457881616 /nfs/dbraw/zinc/88/16/16/457881616.db2.gz STCPGLTVPYOLOM-UHFFFAOYSA-N 1 1 339.483 3.323 10 10 EGCEMO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@H+]1Cc1c(O)ccc2ccccc21 ZINC000376949358 458427012 /nfs/dbraw/zinc/42/70/12/458427012.db2.gz OCPIEXUJAFXWKH-HZPDHXFCSA-N 1 1 343.423 3.088 10 10 EGCEMO COc1ccc(CN2CC[C@@H]2C[NH2+][C@H](C)c2ccc(F)cc2O)cc1 ZINC000527967281 459784196 /nfs/dbraw/zinc/78/41/96/459784196.db2.gz JBDXPMAZZUUXMX-RHSMWYFYSA-N 1 1 344.430 3.465 10 10 EGCEMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccc(Cl)nc1 ZINC000073645452 1292322133 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Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(F)cc(F)c1O ZINC000894686299 1309021140 /nfs/dbraw/zinc/02/11/40/1309021140.db2.gz IGXHCBKSXNPLIB-PHTAMDTFSA-N 1 1 333.382 3.315 10 10 EGCEMO COCc1ncc2c(n1)CC[N@H+](Cc1ccc3ccccc3c1O)C2 ZINC000895416723 1309328033 /nfs/dbraw/zinc/32/80/33/1309328033.db2.gz APVGEJLWMKXEOH-UHFFFAOYSA-N 1 1 335.407 3.040 10 10 EGCEMO Cc1ccc(O[C@H]2CC[N@H+](Cc3ccc(N(C)C)c(F)c3)C2)nc1 ZINC000858011913 1328658359 /nfs/dbraw/zinc/65/83/59/1328658359.db2.gz UFASJBSBOOEOTC-INIZCTEOSA-N 1 1 329.419 3.248 10 10 EGCEMO Oc1ccccc1C[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C[C@@H]1CCCO1 ZINC000923299201 1322728125 /nfs/dbraw/zinc/72/81/25/1322728125.db2.gz ONYCYELQTFJWPS-QZNYNHHHSA-N 1 1 344.499 3.294 10 10 EGCEMO CCCN(CCC)c1ccc(C[N@@H+](C)[C@H]2CCC(=O)N(C)C2)cc1 ZINC000862428080 1329486023 /nfs/dbraw/zinc/48/60/23/1329486023.db2.gz KCDLARUFAVDEGM-IBGZPJMESA-N 1 1 331.504 3.366 10 10 EGCEMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCC23CCOCC3)c1 ZINC000866528886 1330121925 /nfs/dbraw/zinc/12/19/25/1330121925.db2.gz JZKIXMTUKXNLMH-HIFRSBDPSA-N 1 1 333.428 3.036 10 10 EGCEMO COC(=O)c1cc(C[N@@H+](C)CCN(C)c2ccc(OC)cc2)cs1 ZINC001195789367 1368490382 /nfs/dbraw/zinc/49/03/82/1368490382.db2.gz LYNJMAVQQLGLAR-UHFFFAOYSA-N 1 1 348.468 3.112 10 10 EGCEMO Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1C[N@H+](C)CC1(C)C ZINC001156589630 1380597404 /nfs/dbraw/zinc/59/74/04/1380597404.db2.gz FYAHIEDKLJEQTD-OAHLLOKOSA-N 1 1 331.485 3.226 10 10 EGCEMO COc1cc([N+](=O)[O-])c(N2CC[N@@H+](C3CCCC3)[C@H](C)C2)cc1OC ZINC001307209472 1383957789 /nfs/dbraw/zinc/95/77/89/1383957789.db2.gz BQBKDBKKQRRFFS-CYBMUJFWSA-N 1 1 349.431 3.065 10 10 EGCEMO COc1ccc(N(C)CC[N@@H+](C)CCCC(=O)OC(C)(C)C)cc1 ZINC001171728983 1384616242 /nfs/dbraw/zinc/61/62/42/1384616242.db2.gz CUFPIJWVPLQFIX-UHFFFAOYSA-N 1 1 336.476 3.185 10 10 EGCEMO CC/C=C\CC[N@H+]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001713838527 1418635621 /nfs/dbraw/zinc/63/56/21/1418635621.db2.gz OVQDXMCRXAEWOZ-BTVVXOBGSA-N 1 1 343.431 3.009 10 10 EGCEMO Cc1cc(C(=O)N2CCC[N@H+](C)CC2)c(C)n1-c1ccc(F)cc1 ZINC000098067780 219077125 /nfs/dbraw/zinc/07/71/25/219077125.db2.gz XFAFQEHYISHTJG-UHFFFAOYSA-N 1 1 329.419 3.011 10 10 EGCEMO CN(C)c1ccc(/C=C/C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000032841687 212855302 /nfs/dbraw/zinc/85/53/02/212855302.db2.gz JDBOOFIAJSWWPF-QGFLDLQWSA-N 1 1 349.478 3.281 10 10 EGCEMO CN(C)c1ccc(/C=C/C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000032841687 212855305 /nfs/dbraw/zinc/85/53/05/212855305.db2.gz JDBOOFIAJSWWPF-QGFLDLQWSA-N 1 1 349.478 3.281 10 10 EGCEMO CCCC[N@@H+](Cc1cc(Cl)cc(C)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000179568023 455059041 /nfs/dbraw/zinc/05/90/41/455059041.db2.gz RHRLQYRARUEPRS-OAHLLOKOSA-N 1 1 345.892 3.143 10 10 EGCEMO CCn1cc([C@@H]2C[N@@H+](Cc3c(O)ccc4ccccc43)CCO2)cn1 ZINC000189848200 455245719 /nfs/dbraw/zinc/24/57/19/455245719.db2.gz RJUOSRSOPPUROR-FQEVSTJZSA-N 1 1 337.423 3.335 10 10 EGCEMO CCN(CC)c1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CNC(=O)C2)cc1 ZINC000092105991 454524688 /nfs/dbraw/zinc/52/46/88/454524688.db2.gz UXKWVHOMRZENSE-IEBWSBKVSA-N 1 1 329.488 3.023 10 10 EGCEMO CC(C)c1nnc2n1C[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)CC2 ZINC000190916422 455404964 /nfs/dbraw/zinc/40/49/64/455404964.db2.gz KNYMDVGFVDWAPG-SNVBAGLBSA-N 1 1 338.814 3.004 10 10 EGCEMO CC(C)c1nnc2n1C[C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)CC2 ZINC000190916441 455405346 /nfs/dbraw/zinc/40/53/46/455405346.db2.gz KNYMDVGFVDWAPG-JTQLQIEISA-N 1 1 338.814 3.004 10 10 EGCEMO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3ccc(N4CCCCC4)cc3)[C@H]2C1 ZINC000246095014 455425417 /nfs/dbraw/zinc/42/54/17/455425417.db2.gz IWQVUTBOPSFYLT-QHAWAJNXSA-N 1 1 344.499 3.445 10 10 EGCEMO COc1cc(Cl)cc(C[N@H+]2CCC[C@H](n3cc(C)cn3)C2)c1O ZINC000184691063 455429291 /nfs/dbraw/zinc/42/92/91/455429291.db2.gz QBLMYXJCIMXSAX-HNNXBMFYSA-N 1 1 335.835 3.396 10 10 EGCEMO COc1cc(Cl)cc(C[N@H+]2CC[C@H](Oc3cccnc3)C2)c1O ZINC000184699218 455430324 /nfs/dbraw/zinc/43/03/24/455430324.db2.gz LGXLETPQWOJZLV-HNNXBMFYSA-N 1 1 334.803 3.103 10 10 EGCEMO COc1cc(O)c(C[N@H+]2C[C@H](c3ccccc3)OC[C@H]2C)cc1OC ZINC000160117849 455430848 /nfs/dbraw/zinc/43/08/48/455430848.db2.gz LAVQXAUBGOGVMS-JLTOFOAXSA-N 1 1 343.423 3.371 10 10 EGCEMO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H](n3cc(C)cn3)C2)c1O ZINC000175653491 455477307 /nfs/dbraw/zinc/47/73/07/455477307.db2.gz KISXCGQGHOEKFU-INIZCTEOSA-N 1 1 331.391 3.076 10 10 EGCEMO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H](n3cc(C)cn3)C2)c1O ZINC000175653491 455477309 /nfs/dbraw/zinc/47/73/09/455477309.db2.gz KISXCGQGHOEKFU-INIZCTEOSA-N 1 1 331.391 3.076 10 10 EGCEMO CN(C)c1ccc(C[NH2+]Cc2ccn(Cc3ccccc3)n2)cc1F ZINC000284169836 455645497 /nfs/dbraw/zinc/64/54/97/455645497.db2.gz WXNDPIYUIXZZPU-UHFFFAOYSA-N 1 1 338.430 3.426 10 10 EGCEMO COC1CCN(c2ccc(C[N@@H+](C(C)C)[C@@H]3CCOC3)cc2)CC1 ZINC000294936863 455833253 /nfs/dbraw/zinc/83/32/53/455833253.db2.gz ACHIBWWAZFLZAB-LJQANCHMSA-N 1 1 332.488 3.301 10 10 EGCEMO COC[C@@H]([NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O)c1ccccc1 ZINC000273347893 456224056 /nfs/dbraw/zinc/22/40/56/456224056.db2.gz BAYDSGFWXFYNJK-SUMWQHHRSA-N 1 1 329.396 3.217 10 10 EGCEMO C[N@H+](CCCO)CC(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000281622500 456276811 /nfs/dbraw/zinc/27/68/11/456276811.db2.gz HOKLNZGWEXODFQ-QZQOTICOSA-N 1 1 326.400 3.355 10 10 EGCEMO C[N@@H+](CCCO)CC(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000281622500 456276813 /nfs/dbraw/zinc/27/68/13/456276813.db2.gz HOKLNZGWEXODFQ-QZQOTICOSA-N 1 1 326.400 3.355 10 10 EGCEMO CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)[C@@H](C)c1cccnc1 ZINC000290658053 456397985 /nfs/dbraw/zinc/39/79/85/456397985.db2.gz ZLFXAGJQFUWKBI-LBPRGKRZSA-N 1 1 331.372 3.287 10 10 EGCEMO C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]Cc1cccc(F)c1O ZINC000277359662 456795594 /nfs/dbraw/zinc/79/55/94/456795594.db2.gz FELBQPFOGISVAQ-SWLSCSKDSA-N 1 1 338.423 3.266 10 10 EGCEMO C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1nnc2n1CCCCC2 ZINC000371679849 458030761 /nfs/dbraw/zinc/03/07/61/458030761.db2.gz UBBDERVLYALJQO-CYBMUJFWSA-N 1 1 331.439 3.060 10 10 EGCEMO COc1cc(C[N@@H+]2CCc3nc(C(C)C)ncc3C2)c(O)cc1C ZINC000527614933 459670814 /nfs/dbraw/zinc/67/08/14/459670814.db2.gz GQRIWTFGFPXXBY-UHFFFAOYSA-N 1 1 327.428 3.181 10 10 EGCEMO COc1cc(C[N@H+]2CCc3nc(C(C)C)ncc3C2)c(O)cc1C ZINC000527614933 459670820 /nfs/dbraw/zinc/67/08/20/459670820.db2.gz GQRIWTFGFPXXBY-UHFFFAOYSA-N 1 1 327.428 3.181 10 10 EGCEMO [O-]c1ccc2ccncc2c1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000738070920 576284592 /nfs/dbraw/zinc/28/45/92/576284592.db2.gz DALJRVRZYGGYIO-UHFFFAOYSA-N 1 1 325.456 3.248 10 10 EGCEMO C[N@H+](Cc1cc(Cl)cc(Br)c1[O-])C[C@@H]1CCC[NH2+]C1 ZINC000708098548 1298234403 /nfs/dbraw/zinc/23/44/03/1298234403.db2.gz JULMRLAEYPNQFB-SNVBAGLBSA-N 1 1 347.684 3.240 10 10 EGCEMO C[N@H+]1CCC[C@H](c2cccc(C(=O)N3Cc4cccc(O)c4C3)c2)C1 ZINC000871205587 1296272832 /nfs/dbraw/zinc/27/28/32/1296272832.db2.gz HRSAFJGDHWCFHZ-KRWDZBQOSA-N 1 1 336.435 3.357 10 10 EGCEMO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](c3nc(C)cs3)C2)c1O ZINC000880007438 1300846580 /nfs/dbraw/zinc/84/65/80/1300846580.db2.gz HOPVZFFAGPQBKE-GFCCVEGCSA-N 1 1 334.416 3.488 10 10 EGCEMO C[C@@H]1OC[C@]2(CC[C@H](C[NH2+]Cc3cc(Cl)c(F)cc3O)O2)[C@H]1C ZINC000895821681 1309536600 /nfs/dbraw/zinc/53/66/00/1309536600.db2.gz SKJWURHLCLRMMN-BWCYYRKRSA-N 1 1 343.826 3.247 10 10 EGCEMO Oc1cc(Br)ccc1C[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000895845961 1309556432 /nfs/dbraw/zinc/55/64/32/1309556432.db2.gz SEAZPUUUXRCABD-WFASDCNBSA-N 1 1 326.234 3.156 10 10 EGCEMO C[N@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCSCC3)cc2)CC1(C)C ZINC000858099994 1328682213 /nfs/dbraw/zinc/68/22/13/1328682213.db2.gz FVERVBCEYQQWJC-KRWDZBQOSA-N 1 1 333.545 3.202 10 10 EGCEMO C[N@@H+]1CC[C@H](NCc2ccc(N3CCSCC3)cc2)CC1(C)C ZINC000858099994 1328682220 /nfs/dbraw/zinc/68/22/20/1328682220.db2.gz FVERVBCEYQQWJC-KRWDZBQOSA-N 1 1 333.545 3.202 10 10 EGCEMO C[N@H+]1CC[C@H](NCc2ccc(N3CCSCC3)cc2)CC1(C)C ZINC000858099994 1328682227 /nfs/dbraw/zinc/68/22/27/1328682227.db2.gz FVERVBCEYQQWJC-KRWDZBQOSA-N 1 1 333.545 3.202 10 10 EGCEMO CN1CC[C@H]([NH2+]Cc2ccc(N3CCSCC3)cc2)CC1(C)C ZINC000858099994 1328682231 /nfs/dbraw/zinc/68/22/31/1328682231.db2.gz FVERVBCEYQQWJC-KRWDZBQOSA-N 1 1 333.545 3.202 10 10 EGCEMO CN(C)c1cc(F)c(C[NH2+]Cc2c(C(F)(F)F)cnn2C)cc1F ZINC000858210849 1328711673 /nfs/dbraw/zinc/71/16/73/1328711673.db2.gz YUSNNUDCSGRNMR-UHFFFAOYSA-N 1 1 348.319 3.073 10 10 EGCEMO Oc1ccccc1C[N@@H+](CCCc1cccnc1)C[C@H]1CCCO1 ZINC000929970251 1328753162 /nfs/dbraw/zinc/75/31/62/1328753162.db2.gz JCUOLCUXYUPDHL-LJQANCHMSA-N 1 1 326.440 3.401 10 10 EGCEMO C[C@@H]([NH2+][C@H]1CCN(C2CCC2)C1=O)c1cccc(C(F)(F)F)c1O ZINC000858604029 1328807853 /nfs/dbraw/zinc/80/78/53/1328807853.db2.gz ZCNNPINZQRBBBT-YGRLFVJLSA-N 1 1 342.361 3.215 10 10 EGCEMO CC1(C)[C@H](NCc2ccc(N3CCSCC3)cc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925472263 1325164666 /nfs/dbraw/zinc/16/46/66/1325164666.db2.gz CSJFEQAHOYEAGA-CEXWTWQISA-N 1 1 345.556 3.106 10 10 EGCEMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC[C@H]2CCC3(CCC3)O2)c1 ZINC000927127754 1327880981 /nfs/dbraw/zinc/88/09/81/1327880981.db2.gz JTHFFZYXSMIWDI-UKRRQHHQSA-N 1 1 333.428 3.321 10 10 EGCEMO Oc1cccc(Br)c1C[N@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000862253259 1329472008 /nfs/dbraw/zinc/47/20/08/1329472008.db2.gz KPJPUXAVTITJBI-CHWSQXEVSA-N 1 1 340.261 3.403 10 10 EGCEMO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](Cc3nccs3)C2)c1O ZINC000934332145 1329967487 /nfs/dbraw/zinc/96/74/87/1329967487.db2.gz IEFIDNVAXAOTIF-GFCCVEGCSA-N 1 1 334.416 3.255 10 10 EGCEMO C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1)c1ccccc1O ZINC000868449152 1330281779 /nfs/dbraw/zinc/28/17/79/1330281779.db2.gz UGGLLCPNMPFACG-YJLNNSPDSA-N 1 1 339.439 3.198 10 10 EGCEMO Cc1cc(CNC(=O)CC[N@H+]2CC[C@H](F)C2)c(C)n1-c1ccccc1 ZINC001151153957 1379668966 /nfs/dbraw/zinc/66/89/66/1379668966.db2.gz PSHCQKJTIYOOHN-SFHVURJKSA-N 1 1 343.446 3.144 10 10 EGCEMO CC[N@@H+]1CC[C@H]1C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC001297010658 1383104773 /nfs/dbraw/zinc/10/47/73/1383104773.db2.gz RNQGWFDPGJCCIP-KDOFPFPSSA-N 1 1 349.906 3.287 10 10 EGCEMO CC[N@H+]1CC[C@H]1C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC001297010658 1383104774 /nfs/dbraw/zinc/10/47/74/1383104774.db2.gz RNQGWFDPGJCCIP-KDOFPFPSSA-N 1 1 349.906 3.287 10 10 EGCEMO CC(C)(C)c1cc(C[N@H+]2CCNC(=O)CC2)c(O)c(C(C)(C)C)c1 ZINC000044781275 454119542 /nfs/dbraw/zinc/11/95/42/454119542.db2.gz XAUIKYWCBKMONM-UHFFFAOYSA-N 1 1 332.488 3.309 10 10 EGCEMO Cc1ccc(O)c(C[N@H+]2CCC[C@@H](C(=O)Nc3cccc(C)n3)C2)c1 ZINC000091686411 454457641 /nfs/dbraw/zinc/45/76/41/454457641.db2.gz QSORAKJYUGOKCT-MRXNPFEDSA-N 1 1 339.439 3.255 10 10 EGCEMO c1cc([C@@H]2C[N@H+](Cc3ccc(N4CCOCC4)cc3)CCO2)cs1 ZINC000093768337 454734356 /nfs/dbraw/zinc/73/43/56/454734356.db2.gz XEFMUIJXCONEDX-IBGZPJMESA-N 1 1 344.480 3.158 10 10 EGCEMO c1cc([C@@H]2C[N@@H+](Cc3ccc(N4CCOCC4)cc3)CCO2)cs1 ZINC000093768337 454734362 /nfs/dbraw/zinc/73/43/62/454734362.db2.gz XEFMUIJXCONEDX-IBGZPJMESA-N 1 1 344.480 3.158 10 10 EGCEMO Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])cn1 ZINC000191211341 455464890 /nfs/dbraw/zinc/46/48/90/455464890.db2.gz FKWXUJJBPGBFSR-NSHDSACASA-N 1 1 344.365 3.410 10 10 EGCEMO Cc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c(C)n1-c1ccccn1 ZINC000127508597 454971276 /nfs/dbraw/zinc/97/12/76/454971276.db2.gz GCRZTZVWCPXVLW-RHSMWYFYSA-N 1 1 340.471 3.044 10 10 EGCEMO Cc1noc(C)c1CN1CC[NH+](Cc2cc(Cl)cc(C)c2O)CC1 ZINC000179759941 455074889 /nfs/dbraw/zinc/07/48/89/455074889.db2.gz JKAVVJPDBYPIQK-UHFFFAOYSA-N 1 1 349.862 3.277 10 10 EGCEMO Cc1nc(CN2CC[NH+](Cc3cc(Cl)cc(C)c3O)CC2)oc1C ZINC000180043800 455121842 /nfs/dbraw/zinc/12/18/42/455121842.db2.gz SOEMNQIUQPVWRT-UHFFFAOYSA-N 1 1 349.862 3.277 10 10 EGCEMO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)C[C@@H](c2ccc(F)cc2)O1 ZINC000246811255 455526617 /nfs/dbraw/zinc/52/66/17/455526617.db2.gz BSOOYXFKCRQALF-BLVKFPJESA-N 1 1 345.370 3.222 10 10 EGCEMO C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)C[C@@H](c2ccc(F)cc2)O1 ZINC000246811255 455526621 /nfs/dbraw/zinc/52/66/21/455526621.db2.gz BSOOYXFKCRQALF-BLVKFPJESA-N 1 1 345.370 3.222 10 10 EGCEMO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)[C@@H](c2ccccc2)CO1 ZINC000247504078 455614446 /nfs/dbraw/zinc/61/44/46/455614446.db2.gz XSNAIEWSBTXUQT-CZUORRHYSA-N 1 1 327.380 3.083 10 10 EGCEMO C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)[C@@H](c2ccccc2)CO1 ZINC000247504078 455614451 /nfs/dbraw/zinc/61/44/51/455614451.db2.gz XSNAIEWSBTXUQT-CZUORRHYSA-N 1 1 327.380 3.083 10 10 EGCEMO COC1CCN(c2ccc(C[N@@H+](C)[C@@H]3CCN(C)[C@@H](C)C3)cc2)CC1 ZINC000295118267 455840504 /nfs/dbraw/zinc/84/05/04/455840504.db2.gz WJQHMBXHSIVBRV-FXAWDEMLSA-N 1 1 345.531 3.216 10 10 EGCEMO CC[C@@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)c1ccc(F)cc1O ZINC000285494278 455856575 /nfs/dbraw/zinc/85/65/75/455856575.db2.gz CFMWDKZBGLKVOK-GDBMZVCRSA-N 1 1 330.407 3.031 10 10 EGCEMO O=[N+]([O-])c1cc(Cl)cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1[O-] ZINC000271193343 456164893 /nfs/dbraw/zinc/16/48/93/456164893.db2.gz NNGQBTBYOKQZER-UHFFFAOYSA-N 1 1 336.779 3.057 10 10 EGCEMO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]Cc1cccc(F)c1O ZINC000277359656 456795199 /nfs/dbraw/zinc/79/51/99/456795199.db2.gz FELBQPFOGISVAQ-IUODEOHRSA-N 1 1 338.423 3.266 10 10 EGCEMO Cc1noc(C)c1CO[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000370740306 457710206 /nfs/dbraw/zinc/71/02/06/457710206.db2.gz RXDRPAVTCXQOQI-OAHLLOKOSA-N 1 1 336.819 3.442 10 10 EGCEMO CC[C@@H]1C[C@H]1NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000438087362 458529113 /nfs/dbraw/zinc/52/91/13/458529113.db2.gz XHQLSOMGQPFWFS-CRAIPNDOSA-N 1 1 339.483 3.323 10 10 EGCEMO CC[C@@H]([NH2+]C[C@@H]1c2ccccc2C(=O)N1C)c1ccc(F)cc1O ZINC000527998833 459791377 /nfs/dbraw/zinc/79/13/77/459791377.db2.gz COOBYEPTYQKPEW-IAGOWNOFSA-N 1 1 328.387 3.399 10 10 EGCEMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NCC(C)(F)F)C1 ZINC000647261680 461597267 /nfs/dbraw/zinc/59/72/67/461597267.db2.gz CYGYRWQIRJGJJA-UHFFFAOYSA-N 1 1 349.425 3.179 10 10 EGCEMO Cc1cc(N(C)C)ccc1CNC(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000734528758 575509738 /nfs/dbraw/zinc/50/97/38/575509738.db2.gz CROOCMGFWKQESR-CALCHBBNSA-N 1 1 346.519 3.123 10 10 EGCEMO COC[C@@H]1CC[N@@H+](CC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)C1 ZINC000739923199 576520398 /nfs/dbraw/zinc/52/03/98/576520398.db2.gz UKJMOQNFNMSMIP-MRXNPFEDSA-N 1 1 344.430 3.384 10 10 EGCEMO CCOc1ccc(O)c(C[N@H+]2CCC[C@H](CNC(=O)C(C)(C)C)C2)c1 ZINC000093282046 1292913484 /nfs/dbraw/zinc/91/34/84/1292913484.db2.gz CWOLDKWMUKLWNW-OAHLLOKOSA-N 1 1 348.487 3.165 10 10 EGCEMO Cc1cncc(/C=C/C(=O)N2C[C@@H]3CCC[N@H+]3Cc3ccccc32)c1 ZINC000121144427 1293357790 /nfs/dbraw/zinc/35/77/90/1293357790.db2.gz XKYOLGHTAARBRA-SGQUHAKNSA-N 1 1 333.435 3.414 10 10 EGCEMO COc1cc(C[N@@H+](C)Cc2cn(C)nc2C(F)(F)F)c(O)cc1C ZINC000160466324 1294268726 /nfs/dbraw/zinc/26/87/26/1294268726.db2.gz PMYXKNGFLOAQHI-UHFFFAOYSA-N 1 1 343.349 3.094 10 10 EGCEMO Oc1c(F)cc(F)cc1C[NH2+]CC[C@@H]1CCC2(CCOCC2)CO1 ZINC000886297298 1303425424 /nfs/dbraw/zinc/42/54/24/1303425424.db2.gz NCCMHCHGPVQUIQ-HNNXBMFYSA-N 1 1 341.398 3.126 10 10 EGCEMO Oc1c(F)cc(F)cc1C[NH2+]CC[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000922673862 1322585247 /nfs/dbraw/zinc/58/52/47/1322585247.db2.gz VENWVEKIIYQMOA-PWSUYJOCSA-N 1 1 325.277 3.260 10 10 EGCEMO COC[C@]1(C)C[N@@H+](Cc2ccc(N3CCCCC3)c(C)c2)CCO1 ZINC000860202085 1329172518 /nfs/dbraw/zinc/17/25/18/1329172518.db2.gz OHFZJLVHUWPZGI-FQEVSTJZSA-N 1 1 332.488 3.223 10 10 EGCEMO C[C@@H]1C[C@H](N(C)Cc2c(O)cccc2Br)CC[N@H+]1C ZINC000862248594 1329470888 /nfs/dbraw/zinc/47/08/88/1329470888.db2.gz NNSCHSCZUZXNJW-VXGBXAGGSA-N 1 1 327.266 3.069 10 10 EGCEMO Cc1nc(C)c(C[NH2+]Cc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)o1 ZINC000862272836 1329472887 /nfs/dbraw/zinc/47/28/87/1329472887.db2.gz UHXGOOSWQYNDHW-CHWSQXEVSA-N 1 1 347.434 3.334 10 10 EGCEMO C[C@@H]([NH2+][C@H](C)c1cc(Br)c(F)cc1O)c1ccnn1C ZINC000866613377 1330133478 /nfs/dbraw/zinc/13/34/78/1330133478.db2.gz HSMMGWZVTCYSSY-RKDXNWHRSA-N 1 1 342.212 3.439 10 10 EGCEMO Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H]1C[N@H+](C)CC1(C)C ZINC001156589629 1380597230 /nfs/dbraw/zinc/59/72/30/1380597230.db2.gz FYAHIEDKLJEQTD-HNNXBMFYSA-N 1 1 331.485 3.226 10 10 EGCEMO Cc1cc(C[N@@H+]2Cc3cccnc3N3CCC[C@@H]3C2)ccc1N(C)C ZINC001308019135 1384075275 /nfs/dbraw/zinc/07/52/75/1384075275.db2.gz XGWMVDCBGKRAPQ-LJQANCHMSA-N 1 1 336.483 3.441 10 10 EGCEMO CC[N@@H+](C)[C@H]1CCN(C(=O)Cc2cc(C)n(-c3ccccc3)c2C)C1 ZINC001181837978 1387062961 /nfs/dbraw/zinc/06/29/61/1387062961.db2.gz AJAPXXQQTIUPJQ-FQEVSTJZSA-N 1 1 339.483 3.189 10 10 EGCEMO Oc1c(Br)cccc1C[NH+]1CC(CC2CCOCC2)C1 ZINC001338291083 1389619948 /nfs/dbraw/zinc/61/99/48/1389619948.db2.gz YFJWMASQIONONN-UHFFFAOYSA-N 1 1 340.261 3.403 10 10 EGCEMO CCN(CC)c1ccc(C[N@H+]2CCO[C@@H]3CC[C@@H](OC)C[C@H]32)cc1 ZINC000245693942 455357740 /nfs/dbraw/zinc/35/77/40/455357740.db2.gz AZFRTJRKENSNCL-VAMGGRTRSA-N 1 1 332.488 3.301 10 10 EGCEMO COc1ccc(N2CCC[N@H+](Cc3csc([N+](=O)[O-])c3)CC2)cc1 ZINC000054271883 453919765 /nfs/dbraw/zinc/91/97/65/453919765.db2.gz OVXYKQJEHMOOFL-UHFFFAOYSA-N 1 1 347.440 3.377 10 10 EGCEMO COc1ccc(N2CCC[N@@H+](Cc3csc([N+](=O)[O-])c3)CC2)cc1 ZINC000054271883 453919767 /nfs/dbraw/zinc/91/97/67/453919767.db2.gz OVXYKQJEHMOOFL-UHFFFAOYSA-N 1 1 347.440 3.377 10 10 EGCEMO CCOc1cccc(C[NH2+][C@H](c2nccn2C)c2ccccc2)c1O ZINC000071792510 454217792 /nfs/dbraw/zinc/21/77/92/454217792.db2.gz LNNPDHALDGLKMA-SFHVURJKSA-N 1 1 337.423 3.404 10 10 EGCEMO CCOc1cccc(C[N@H+]2CCC[C@H]2c2c(C)nn(C)c2C)c1O ZINC000122765643 454567095 /nfs/dbraw/zinc/56/70/95/454567095.db2.gz NLTHVEPCTJQPJH-INIZCTEOSA-N 1 1 329.444 3.478 10 10 EGCEMO Cc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)c1 ZINC000092812227 454637664 /nfs/dbraw/zinc/63/76/64/454637664.db2.gz PSGSZRIKJIFBOR-MRXNPFEDSA-N 1 1 326.444 3.356 10 10 EGCEMO Cc1ccc(O)c(C[N@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)c1 ZINC000092812227 454637668 /nfs/dbraw/zinc/63/76/68/454637668.db2.gz PSGSZRIKJIFBOR-MRXNPFEDSA-N 1 1 326.444 3.356 10 10 EGCEMO CCOc1cccc(C[N@H+]2CC[C@@H](CNc3ccccn3)C2)c1O ZINC000092812619 454637840 /nfs/dbraw/zinc/63/78/40/454637840.db2.gz GOEYYWVYBLTSJZ-HNNXBMFYSA-N 1 1 327.428 3.120 10 10 EGCEMO O[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000093611557 454723888 /nfs/dbraw/zinc/72/38/88/454723888.db2.gz WHXDDUYAVQRDJX-MRXNPFEDSA-N 1 1 328.378 3.176 10 10 EGCEMO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccccc1)OCO2 ZINC000093868386 454743348 /nfs/dbraw/zinc/74/33/48/454743348.db2.gz XZQAUMQJXCVJLT-SJORKVTESA-N 1 1 341.407 3.209 10 10 EGCEMO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000180204772 455147709 /nfs/dbraw/zinc/14/77/09/455147709.db2.gz WJYWSPCANULSLH-CQSZACIVSA-N 1 1 344.377 3.015 10 10 EGCEMO COc1cc(O)c(C[N@H+]2C[C@@H](C)O[C@@H](c3ccccc3)C2)cc1OC ZINC000159931936 455416532 /nfs/dbraw/zinc/41/65/32/455416532.db2.gz AHFFZMCXDPDGFE-JLTOFOAXSA-N 1 1 343.423 3.371 10 10 EGCEMO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2O)[C@]12CCCO2 ZINC000293706600 455795090 /nfs/dbraw/zinc/79/50/90/455795090.db2.gz UHSYBHGVZHHQPJ-BZUAXINKSA-N 1 1 329.799 3.001 10 10 EGCEMO Cn1cc(C[NH2+]Cc2cc(Cl)c(F)cc2O)c(C(F)(F)F)n1 ZINC000293675033 455795257 /nfs/dbraw/zinc/79/52/57/455795257.db2.gz QZBRYHWDFXLYMI-UHFFFAOYSA-N 1 1 337.704 3.227 10 10 EGCEMO COc1nccnc1C[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000295270875 455844693 /nfs/dbraw/zinc/84/46/93/455844693.db2.gz VOVQTZDVGXDOEY-UHFFFAOYSA-N 1 1 326.444 3.011 10 10 EGCEMO COC1CCN(c2ccc(C[N@H+]3CCC[C@@H]3c3cc[nH]n3)cc2)CC1 ZINC000295913159 455863136 /nfs/dbraw/zinc/86/31/36/455863136.db2.gz FUXYXMXRMXVZEK-HXUWFJFHSA-N 1 1 340.471 3.362 10 10 EGCEMO Oc1ccc(-c2ccccc2)cc1C[NH2+]CCCCN1CCOCC1 ZINC000263642533 456180130 /nfs/dbraw/zinc/18/01/30/456180130.db2.gz AITXQCMPAYPIHI-UHFFFAOYSA-N 1 1 340.467 3.261 10 10 EGCEMO COc1ccc(O)c(C[N@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)c1 ZINC000282813006 456633213 /nfs/dbraw/zinc/63/32/13/456633213.db2.gz SSHPTHXEQWSGIP-HNNXBMFYSA-N 1 1 341.455 3.313 10 10 EGCEMO COCC[C@@H]1CCCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000375106483 457794666 /nfs/dbraw/zinc/79/46/66/457794666.db2.gz VCARIRJPSRVOFJ-SFHVURJKSA-N 1 1 332.488 3.162 10 10 EGCEMO C[C@@H]1C[C@@]2(CCO1)C[N@H+](Cc1ccc(N(C)C)c(F)c1)C[C@H](C)O2 ZINC000366790429 457899665 /nfs/dbraw/zinc/89/96/65/457899665.db2.gz ARQYQECWQHVOEE-VCBZYWHSSA-N 1 1 336.451 3.050 10 10 EGCEMO Cc1noc(C)c1CO[C@H]1CC[N@@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000368358774 458030233 /nfs/dbraw/zinc/03/02/33/458030233.db2.gz YEHRJXCJEKYCBQ-KRWDZBQOSA-N 1 1 330.428 3.405 10 10 EGCEMO CC[N@H+]1CC[C@@H](CNC(=O)c2cc(C)ccc2-n2c(C)ccc2C)C1 ZINC000730937397 575037766 /nfs/dbraw/zinc/03/77/66/575037766.db2.gz SNCRIPJQDPCSGO-SFHVURJKSA-N 1 1 339.483 3.474 10 10 EGCEMO Cc1ccc(C)n1-c1ccsc1C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000732165058 575241448 /nfs/dbraw/zinc/24/14/48/575241448.db2.gz CGYVVPPGUVVPIO-MRXNPFEDSA-N 1 1 343.496 3.464 10 10 EGCEMO COc1ccc(C[N@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)c(O)c1 ZINC000093337021 1292915500 /nfs/dbraw/zinc/91/55/00/1292915500.db2.gz UKNJQMAGHNYLAC-SFHVURJKSA-N 1 1 340.467 3.355 10 10 EGCEMO COc1ccc(C[N@@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)c(O)c1 ZINC000093337021 1292915512 /nfs/dbraw/zinc/91/55/12/1292915512.db2.gz UKNJQMAGHNYLAC-SFHVURJKSA-N 1 1 340.467 3.355 10 10 EGCEMO Cc1cc(Br)cc(CN2CC[N@H+]3CCCC[C@@H]3C2)c1O ZINC000158030679 1294194417 /nfs/dbraw/zinc/19/44/17/1294194417.db2.gz RVTZNEPGIWPYBF-OAHLLOKOSA-N 1 1 339.277 3.133 10 10 EGCEMO COc1ccccc1OCC[N@@H+](C)Cc1cc(C)cc(OC)c1O ZINC000164192301 1294345529 /nfs/dbraw/zinc/34/55/29/1294345529.db2.gz UGSNAWIBRLYCSW-UHFFFAOYSA-N 1 1 331.412 3.229 10 10 EGCEMO COc1cc(C)cc(C[N@H+]2CCC[C@@H](CNC(=O)C(C)(C)C)C2)c1O ZINC000164328891 1294346684 /nfs/dbraw/zinc/34/66/84/1294346684.db2.gz HHTZMURBJQIFRU-HNNXBMFYSA-N 1 1 348.487 3.084 10 10 EGCEMO O=C([C@@H]1CCCC[N@H+]1Cc1ccccc1)N1Cc2cccc(O)c2C1 ZINC000871203260 1296271959 /nfs/dbraw/zinc/27/19/59/1296271959.db2.gz VMUCGKGAQWWNSX-IBGZPJMESA-N 1 1 336.435 3.289 10 10 EGCEMO Oc1cc(Br)ccc1C[N@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000895845960 1309555790 /nfs/dbraw/zinc/55/57/90/1309555790.db2.gz SEAZPUUUXRCABD-SWLSCSKDSA-N 1 1 326.234 3.156 10 10 EGCEMO COC(=O)c1cc2ccccc2c(C[N@H+]2CCCSCC2)c1O ZINC000917462262 1319814935 /nfs/dbraw/zinc/81/49/35/1319814935.db2.gz LWMIRQABFWBTDB-UHFFFAOYSA-N 1 1 331.437 3.271 10 10 EGCEMO Oc1ccccc1C[N@@H+](CCOC1CCOCC1)Cc1ccco1 ZINC000859190328 1328940998 /nfs/dbraw/zinc/94/09/98/1328940998.db2.gz JSHXEVMFBDBMRK-UHFFFAOYSA-N 1 1 331.412 3.183 10 10 EGCEMO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000921054044 1322249495 /nfs/dbraw/zinc/24/94/95/1322249495.db2.gz SEGMQEYMITXFEV-QAPCUYQASA-N 1 1 344.499 3.398 10 10 EGCEMO COc1ccc(N2CC[C@@H]([NH2+]Cc3nc(C(C)(C)C)co3)C2)cc1 ZINC000922237574 1322485139 /nfs/dbraw/zinc/48/51/39/1322485139.db2.gz KSIKNCWCYLJFAT-CQSZACIVSA-N 1 1 329.444 3.349 10 10 EGCEMO C[NH+](C)CC[C@H](NCc1c(O)ccc(Cl)c1F)c1cccnc1 ZINC000922628770 1322575090 /nfs/dbraw/zinc/57/50/90/1322575090.db2.gz RLKQDIBMSBECHQ-HNNXBMFYSA-N 1 1 337.826 3.362 10 10 EGCEMO Oc1c(F)cc(F)cc1C[NH2+]C[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC000922691215 1322591808 /nfs/dbraw/zinc/59/18/08/1322591808.db2.gz FPUAKXYDSYSFEM-ZYHUDNBSSA-N 1 1 325.277 3.260 10 10 EGCEMO C[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1ccc(Br)cc1[O-] ZINC000925800823 1325307686 /nfs/dbraw/zinc/30/76/86/1325307686.db2.gz ZEKRPUDEHGZTRM-GRYCIOLGSA-N 1 1 327.266 3.051 10 10 EGCEMO C[C@@H]([NH2+]Cc1cc(C(F)(F)F)nn1C)c1cc(F)cc(F)c1O ZINC000926929402 1327781919 /nfs/dbraw/zinc/78/19/19/1327781919.db2.gz WSINYUWQDMHPFK-SSDOTTSWSA-N 1 1 335.276 3.274 10 10 EGCEMO C[N@H+]1CC[C@H]([NH2+]Cc2cccc(Br)c2[O-])CC1(C)C ZINC000862348423 1329476230 /nfs/dbraw/zinc/47/62/30/1329476230.db2.gz MWFBCXNGMPGEJJ-LBPRGKRZSA-N 1 1 327.266 3.117 10 10 EGCEMO CN1CCN(c2ccc(C[NH+]3CC(Cc4cccs4)C3)cc2)CC1 ZINC000862539420 1329494046 /nfs/dbraw/zinc/49/40/46/1329494046.db2.gz MDKFBNMIBUUZPC-UHFFFAOYSA-N 1 1 341.524 3.174 10 10 EGCEMO COc1cccc([C@H](C)[NH2+]Cc2ncc(Br)s2)c1O ZINC000866620915 1330133800 /nfs/dbraw/zinc/13/38/00/1330133800.db2.gz WLYRFVZUARXBGB-QMMMGPOBSA-N 1 1 343.246 3.471 10 10 EGCEMO CC[C@@H](C)[C@@H](C)[N@@H+](CC(=O)NCc1ccc(N(C)C)cc1)C1CC1 ZINC001190913675 1367381499 /nfs/dbraw/zinc/38/14/99/1367381499.db2.gz NCBCLETYXHJQID-HZPDHXFCSA-N 1 1 331.504 3.268 10 10 EGCEMO COc1cccc(-c2nnc(C[NH2+][C@@H](C)c3ccccc3O)o2)c1 ZINC001197003455 1368729191 /nfs/dbraw/zinc/72/91/91/1368729191.db2.gz HNGKGOOCEYGMFT-LBPRGKRZSA-N 1 1 325.368 3.302 10 10 EGCEMO c1cc(N2CCOCC2)ccc1C[N@H+]1CCCC[C@H]1[C@@H]1CCCO1 ZINC001198685542 1369091107 /nfs/dbraw/zinc/09/11/07/1369091107.db2.gz MJKLJDFMGXBNGH-PMACEKPBSA-N 1 1 330.472 3.057 10 10 EGCEMO CC(=O)N(C)c1ccc(C[NH2+]Cc2c(O)ccc(Cl)c2F)cc1 ZINC001203161073 1370005610 /nfs/dbraw/zinc/00/56/10/1370005610.db2.gz KAGRBABMRICFEV-UHFFFAOYSA-N 1 1 336.794 3.457 10 10 EGCEMO Cc1cc(CNC(=O)[C@@H]2CCC[N@@H+]2C)c(C)n1-c1cccc(C)c1 ZINC001151152923 1379668806 /nfs/dbraw/zinc/66/88/06/1379668806.db2.gz GNHPNLVHHXNJQO-IBGZPJMESA-N 1 1 325.456 3.113 10 10 EGCEMO CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC001156677049 1380608753 /nfs/dbraw/zinc/60/87/53/1380608753.db2.gz YAQTZAOYGZEMRN-CYBMUJFWSA-N 1 1 348.468 3.115 10 10 EGCEMO CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC001156677049 1380608755 /nfs/dbraw/zinc/60/87/55/1380608755.db2.gz YAQTZAOYGZEMRN-CYBMUJFWSA-N 1 1 348.468 3.115 10 10 EGCEMO Cc1cc(C[N@H+](C)[C@@H]2CCCCN(C)C2=O)ccc1N1CCCCC1 ZINC001307981761 1384067243 /nfs/dbraw/zinc/06/72/43/1384067243.db2.gz GAWJXQZGTQZBLG-HXUWFJFHSA-N 1 1 343.515 3.428 10 10 EGCEMO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H]2[C@H](O)c2ccccc2)c1O ZINC001307986846 1384068450 /nfs/dbraw/zinc/06/84/50/1384068450.db2.gz DBGWMFDVBNWADQ-AZUAARDMSA-N 1 1 343.398 3.432 10 10 EGCEMO CN1CCN(c2ccc(C[N@H+]3CCC[C@H](CCF)C3)cc2F)CC1 ZINC001330375022 1389400749 /nfs/dbraw/zinc/40/07/49/1389400749.db2.gz RQILYNBOZWQTTA-MRXNPFEDSA-N 1 1 337.458 3.149 10 10 EGCEMO c1cc(N2CCCC2)ccc1C[NH2+]Cc1nc2c(s1)COCC2 ZINC001333732845 1390386823 /nfs/dbraw/zinc/38/68/23/1390386823.db2.gz FBXMVDZCYRNPPR-UHFFFAOYSA-N 1 1 329.469 3.106 10 10 EGCEMO CCN(CC)c1ccc(CN(C)C(=O)C(C)(C)c2c[nH]cn2)cc1 ZINC001351142311 1391604720 /nfs/dbraw/zinc/60/47/20/1391604720.db2.gz WAAVKBUSAQQTQX-UHFFFAOYSA-N 1 1 328.460 3.192 10 10 EGCEMO CCCN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@H]1CC[N@@H+](CCC)C1 ZINC001481411606 1394270077 /nfs/dbraw/zinc/27/00/77/1394270077.db2.gz GHBUFNRHERUTQA-INIZCTEOSA-N 1 1 345.447 3.186 10 10 EGCEMO CC/C=C\CC[N@@H+](C)C[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001699476315 1412869049 /nfs/dbraw/zinc/86/90/49/1412869049.db2.gz KXHZFSSFKJFOEF-WENZHCHASA-N 1 1 345.447 3.255 10 10 EGCEMO