smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H]1CCC[N@H+](Cc2cc(F)c(F)cc2O)[C@H]1CO ZINC001142508811 806607964 /nfs/dbraw/zinc/60/79/64/806607964.db2.gz MFCHHGAXDGFITC-ZANVPECISA-N 1 1 271.307 2.263 20 10 CECDMO C[C@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2O)[C@H]1CO ZINC001142508811 806607968 /nfs/dbraw/zinc/60/79/68/806607968.db2.gz MFCHHGAXDGFITC-ZANVPECISA-N 1 1 271.307 2.263 20 10 CECDMO CC(=O)[C@H]1CCC[N@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001142527060 806619637 /nfs/dbraw/zinc/61/96/37/806619637.db2.gz IZJUVCCVWLKKKL-JTQLQIEISA-N 1 1 269.291 2.471 20 10 CECDMO CC(=O)[C@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001142527060 806619639 /nfs/dbraw/zinc/61/96/39/806619639.db2.gz IZJUVCCVWLKKKL-JTQLQIEISA-N 1 1 269.291 2.471 20 10 CECDMO [NH3+]CC[C@H]1CC[N@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000723674922 802922833 /nfs/dbraw/zinc/92/28/33/802922833.db2.gz KPXSAFVHPVPJRI-JTQLQIEISA-N 1 1 299.212 2.325 20 10 CECDMO [NH3+]CC[C@H]1CC[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000723674922 802922839 /nfs/dbraw/zinc/92/28/39/802922839.db2.gz KPXSAFVHPVPJRI-JTQLQIEISA-N 1 1 299.212 2.325 20 10 CECDMO CC[N@H+](CCN(C)C)Cc1cc(Cl)cc(OC)c1O ZINC000708339743 803318699 /nfs/dbraw/zinc/31/86/99/803318699.db2.gz JVNKMCXHLKYTKI-UHFFFAOYSA-N 1 1 286.803 2.438 20 10 CECDMO CC[N@@H+](CCN(C)C)Cc1cc(Cl)cc(OC)c1O ZINC000708339743 803318706 /nfs/dbraw/zinc/31/87/06/803318706.db2.gz JVNKMCXHLKYTKI-UHFFFAOYSA-N 1 1 286.803 2.438 20 10 CECDMO Cc1c(O)ccc(C[NH+]2CCC(N3CCC3)CC2)c1O ZINC001140751462 803516484 /nfs/dbraw/zinc/51/64/84/803516484.db2.gz XQHCHXLMAHPQLB-UHFFFAOYSA-N 1 1 276.380 2.076 20 10 CECDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@](F)(CO)C2)c(O)c1 ZINC001140850215 803583022 /nfs/dbraw/zinc/58/30/22/803583022.db2.gz GUIOFHUFYSWUTM-INIZCTEOSA-N 1 1 296.386 2.145 20 10 CECDMO COC(=O)N(C)CC[N@H+](C)Cc1c(O)cccc1Cl ZINC000690817488 803745975 /nfs/dbraw/zinc/74/59/75/803745975.db2.gz WBGNDVYIJLOUKU-UHFFFAOYSA-N 1 1 286.759 2.176 20 10 CECDMO COC(=O)N(C)CC[N@@H+](C)Cc1c(O)cccc1Cl ZINC000690817488 803745978 /nfs/dbraw/zinc/74/59/78/803745978.db2.gz WBGNDVYIJLOUKU-UHFFFAOYSA-N 1 1 286.759 2.176 20 10 CECDMO C[NH2+]C[C@@H](C)CNCc1ccc(N2CCCC2)cc1 ZINC001117953813 814968808 /nfs/dbraw/zinc/96/88/08/814968808.db2.gz QQLVZDCEQKPLPS-CQSZACIVSA-N 1 1 261.413 2.232 20 10 CECDMO COC[C@H]1CCC[N@H+]1Cc1cc(Cl)c(O)cc1O ZINC001232261026 807238985 /nfs/dbraw/zinc/23/89/85/807238985.db2.gz VGIDFFWVSFEFPQ-SNVBAGLBSA-N 1 1 271.744 2.362 20 10 CECDMO CCc1cccc(C[NH2+]Cc2nnc(C)s2)c1O ZINC000691450673 807888486 /nfs/dbraw/zinc/88/84/86/807888486.db2.gz YAGUPXIENFTGJI-UHFFFAOYSA-N 1 1 263.366 2.404 20 10 CECDMO Cc1cc(F)cc(C[N@H+]2CCCC3(C2)OCCO3)c1O ZINC001238070609 808293937 /nfs/dbraw/zinc/29/39/37/808293937.db2.gz NQBBWKVBIYUPQO-UHFFFAOYSA-N 1 1 281.327 2.179 20 10 CECDMO COc1cc([O-])c(C[NH+]2CCC(C[NH3+])CC2)cc1Cl ZINC001205046267 809063761 /nfs/dbraw/zinc/06/37/61/809063761.db2.gz AISMBZGXRYRHNJ-UHFFFAOYSA-N 1 1 284.787 2.225 20 10 CECDMO C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc(F)c(F)c3[O-])C2)C1 ZINC000703457852 809651066 /nfs/dbraw/zinc/65/10/66/809651066.db2.gz FUDPKBKJCOIYAM-OAHLLOKOSA-N 1 1 282.334 2.198 20 10 CECDMO C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(F)c(F)c3[O-])C2)C1 ZINC000703457852 809651069 /nfs/dbraw/zinc/65/10/69/809651069.db2.gz FUDPKBKJCOIYAM-OAHLLOKOSA-N 1 1 282.334 2.198 20 10 CECDMO C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(F)c(F)c3[O-])C2)C1 ZINC000703457852 809651070 /nfs/dbraw/zinc/65/10/70/809651070.db2.gz FUDPKBKJCOIYAM-OAHLLOKOSA-N 1 1 282.334 2.198 20 10 CECDMO C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(F)c(F)c3[O-])C2)C1 ZINC000703457852 809651073 /nfs/dbraw/zinc/65/10/73/809651073.db2.gz FUDPKBKJCOIYAM-OAHLLOKOSA-N 1 1 282.334 2.198 20 10 CECDMO C[C@]1(C[NH2+]Cc2cc(F)cc(F)c2O)CCOC1 ZINC000708481348 809930135 /nfs/dbraw/zinc/93/01/35/809930135.db2.gz QTHKDJGXESWJFI-CYBMUJFWSA-N 1 1 257.280 2.187 20 10 CECDMO COC[C@H]([NH2+]Cc1cc(F)cc(F)c1O)C(C)C ZINC000708442586 809931222 /nfs/dbraw/zinc/93/12/22/809931222.db2.gz NITOHCMCTCZAPW-LBPRGKRZSA-N 1 1 259.296 2.431 20 10 CECDMO C[C@@H]1CN(Cc2cc(Br)ccc2O)C[C@H]1C[NH3+] ZINC000708898788 809937650 /nfs/dbraw/zinc/93/76/50/809937650.db2.gz APDJIEFJEXLONP-MWLCHTKSSA-N 1 1 299.212 2.181 20 10 CECDMO Oc1c(F)cc(F)cc1C[NH2+]CCO[C@@H]1CC1(F)F ZINC000708516938 809943909 /nfs/dbraw/zinc/94/39/09/809943909.db2.gz LTENIXCFOSMRGE-SNVBAGLBSA-N 1 1 279.233 2.184 20 10 CECDMO CN1CC[C@]2(CCC[N@H+]2Cc2ccc(Cl)cc2O)C1=O ZINC001273164478 810073591 /nfs/dbraw/zinc/07/35/91/810073591.db2.gz WGBIXPAZNMLSOF-OAHLLOKOSA-N 1 1 294.782 2.242 20 10 CECDMO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)c1[O-] ZINC000923503699 810105759 /nfs/dbraw/zinc/10/57/59/810105759.db2.gz LDNFUURRVMDTAZ-JQWIXIFHSA-N 1 1 294.370 2.151 20 10 CECDMO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)c1[O-] ZINC000923503699 810105761 /nfs/dbraw/zinc/10/57/61/810105761.db2.gz LDNFUURRVMDTAZ-JQWIXIFHSA-N 1 1 294.370 2.151 20 10 CECDMO CN1CCCc2cc(C[N@@H+]3CC[C@@H](N)[C@H](F)CC3)ccc21 ZINC001206163354 815349834 /nfs/dbraw/zinc/34/98/34/815349834.db2.gz BUPFADBAAHPETF-HZPDHXFCSA-N 1 1 291.414 2.330 20 10 CECDMO CN1CCCc2cc(C[N@H+]3CC[C@@H](N)[C@H](F)CC3)ccc21 ZINC001206163354 815349841 /nfs/dbraw/zinc/34/98/41/815349841.db2.gz BUPFADBAAHPETF-HZPDHXFCSA-N 1 1 291.414 2.330 20 10 CECDMO [NH3+][C@@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])CC[C@H]1F ZINC001206185999 815567276 /nfs/dbraw/zinc/56/72/76/815567276.db2.gz PQULNPHMOZLYPQ-VXGBXAGGSA-N 1 1 272.751 2.307 20 10 CECDMO Oc1cc(O)c(C[N@H+]2CC[C@H]3CCC[C@@H]3C2)c(O)c1 ZINC001144504470 814092273 /nfs/dbraw/zinc/09/22/73/814092273.db2.gz RJLMYCAXDSMTGB-GHMZBOCLSA-N 1 1 263.337 2.425 20 10 CECDMO C[C@@H]1CC[N@@H+](Cc2c(O)cc(O)cc2O)[C@H](C)C1 ZINC001144514447 814097571 /nfs/dbraw/zinc/09/75/71/814097571.db2.gz FBTPPAFABGTNML-NXEZZACHSA-N 1 1 251.326 2.424 20 10 CECDMO CC[C@@H]1CCC[N@@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144514724 814098611 /nfs/dbraw/zinc/09/86/11/814098611.db2.gz PTHWVHBKPHJCJP-SNVBAGLBSA-N 1 1 251.326 2.425 20 10 CECDMO C[C@H]1CCC[N@H+](Cc2c(O)cccc2F)[C@@H]1CO ZINC001137831727 815690882 /nfs/dbraw/zinc/69/08/82/815690882.db2.gz LHTUIXJDOKLLIL-GXFFZTMASA-N 1 1 253.317 2.124 20 10 CECDMO C[C@H]1CCC[N@@H+](Cc2c(O)cccc2F)[C@@H]1CO ZINC001137831727 815690888 /nfs/dbraw/zinc/69/08/88/815690888.db2.gz LHTUIXJDOKLLIL-GXFFZTMASA-N 1 1 253.317 2.124 20 10 CECDMO Oc1cccc(F)c1C[N@@H+]1CC[C@@]2(CCCO2)C1 ZINC001137832699 815692133 /nfs/dbraw/zinc/69/21/33/815692133.db2.gz DSDPTQXYXJOCKC-AWEZNQCLSA-N 1 1 251.301 2.286 20 10 CECDMO Oc1cccc(F)c1C[N@H+]1CC[C@@]2(CCCO2)C1 ZINC001137832699 815692137 /nfs/dbraw/zinc/69/21/37/815692137.db2.gz DSDPTQXYXJOCKC-AWEZNQCLSA-N 1 1 251.301 2.286 20 10 CECDMO CC[N@H+]1CC[C@H](N(C)Cc2ccc(N(C)C)cc2)C1 ZINC001173368760 815705693 /nfs/dbraw/zinc/70/56/93/815705693.db2.gz RJKWQDLWNCSNLW-INIZCTEOSA-N 1 1 261.413 2.279 20 10 CECDMO CCN1CC[C@H]([N@H+](C)Cc2ccc(N(C)C)cc2)C1 ZINC001173368760 815705699 /nfs/dbraw/zinc/70/56/99/815705699.db2.gz RJKWQDLWNCSNLW-INIZCTEOSA-N 1 1 261.413 2.279 20 10 CECDMO CCN1CC[C@H]([N@@H+](C)Cc2ccc(N(C)C)cc2)C1 ZINC001173368760 815705703 /nfs/dbraw/zinc/70/57/03/815705703.db2.gz RJKWQDLWNCSNLW-INIZCTEOSA-N 1 1 261.413 2.279 20 10 CECDMO C[C@H]1CCC[N@@H+](Cc2cccc(F)c2[O-])[C@H]1CO ZINC001138122495 815731728 /nfs/dbraw/zinc/73/17/28/815731728.db2.gz JIMPKDLDHMKSRY-GWCFXTLKSA-N 1 1 253.317 2.124 20 10 CECDMO C[C@H]1CCC[N@H+](Cc2cccc(F)c2O)[C@H]1CO ZINC001138122495 815731733 /nfs/dbraw/zinc/73/17/33/815731733.db2.gz JIMPKDLDHMKSRY-GWCFXTLKSA-N 1 1 253.317 2.124 20 10 CECDMO C[C@H]1CCC[N@@H+](Cc2cccc(F)c2O)[C@H]1CO ZINC001138122495 815731738 /nfs/dbraw/zinc/73/17/38/815731738.db2.gz JIMPKDLDHMKSRY-GWCFXTLKSA-N 1 1 253.317 2.124 20 10 CECDMO O=C1CC[C@@]2(CCC[N@@H+](Cc3cccc(F)c3O)C2)O1 ZINC001138129453 815734021 /nfs/dbraw/zinc/73/40/21/815734021.db2.gz DLOJLQXLJSWERY-OAHLLOKOSA-N 1 1 279.311 2.203 20 10 CECDMO O=C1CC[C@@]2(CCC[N@H+](Cc3cccc(F)c3O)C2)O1 ZINC001138129453 815734028 /nfs/dbraw/zinc/73/40/28/815734028.db2.gz DLOJLQXLJSWERY-OAHLLOKOSA-N 1 1 279.311 2.203 20 10 CECDMO CCN(C(C)=O)C1CC[NH+](Cc2cccc(F)c2O)CC1 ZINC001138131361 815736089 /nfs/dbraw/zinc/73/60/89/815736089.db2.gz YDMZDRHLAPXKKC-UHFFFAOYSA-N 1 1 294.370 2.364 20 10 CECDMO Cc1c(C[N@@H+]2C[C@H]3CN(C)C(=O)[C@H]3C2)c2ccccc2n1C ZINC001138255840 815755772 /nfs/dbraw/zinc/75/57/72/815755772.db2.gz VKNWVOOOEICJJX-CJNGLKHVSA-N 1 1 297.402 2.007 20 10 CECDMO Cc1c(C[N@@H+]2CCN(C)C(=O)[C@@H]2C)c2ccccc2n1C ZINC001138257956 815756869 /nfs/dbraw/zinc/75/68/69/815756869.db2.gz FMQLZAOSQBPPIA-ZDUSSCGKSA-N 1 1 285.391 2.149 20 10 CECDMO Cc1c(C[N@H+]2CCN(C)C(=O)[C@@H]2C)c2ccccc2n1C ZINC001138257956 815756874 /nfs/dbraw/zinc/75/68/74/815756874.db2.gz FMQLZAOSQBPPIA-ZDUSSCGKSA-N 1 1 285.391 2.149 20 10 CECDMO CN(C)c1ccc(C[N@H+]2CC[C@@](N)(C(F)(F)F)C2)cc1 ZINC001206222927 815937527 /nfs/dbraw/zinc/93/75/27/815937527.db2.gz RFTPHLABHKKWNA-ZDUSSCGKSA-N 1 1 287.329 2.218 20 10 CECDMO Cc1n[nH]c(C)c1C[N@H+]1CCc2cccc(O)c2C1 ZINC001139100784 815959738 /nfs/dbraw/zinc/95/97/38/815959738.db2.gz YTWWZLIIYWNSAY-UHFFFAOYSA-N 1 1 257.337 2.290 20 10 CECDMO C[C@@H]1CC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001139409102 816019217 /nfs/dbraw/zinc/01/92/17/816019217.db2.gz WJDWWGVMORDICO-CQSZACIVSA-N 1 1 259.397 2.033 20 10 CECDMO C[C@@H]1CC[N@@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC001139409102 816019223 /nfs/dbraw/zinc/01/92/23/816019223.db2.gz WJDWWGVMORDICO-CQSZACIVSA-N 1 1 259.397 2.033 20 10 CECDMO C[C@@H]1CC[N@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC001139409102 816019232 /nfs/dbraw/zinc/01/92/32/816019232.db2.gz WJDWWGVMORDICO-CQSZACIVSA-N 1 1 259.397 2.033 20 10 CECDMO Cc1cc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1N(C)C ZINC001139674374 816078820 /nfs/dbraw/zinc/07/88/20/816078820.db2.gz XCBYYYLBCOERID-IYBDPMFKSA-N 1 1 273.424 2.339 20 10 CECDMO Cc1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C)ccc1N(C)C ZINC001139674374 816078829 /nfs/dbraw/zinc/07/88/29/816078829.db2.gz XCBYYYLBCOERID-IYBDPMFKSA-N 1 1 273.424 2.339 20 10 CECDMO Cc1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C)ccc1N(C)C ZINC001139674374 816078837 /nfs/dbraw/zinc/07/88/37/816078837.db2.gz XCBYYYLBCOERID-IYBDPMFKSA-N 1 1 273.424 2.339 20 10 CECDMO COC(=O)[C@@H](C)[N@H+](C)Cc1c(C)ccc(C)c1O ZINC001140182567 816205915 /nfs/dbraw/zinc/20/59/15/816205915.db2.gz VNLWGIDQSFOILA-LLVKDONJSA-N 1 1 251.326 2.002 20 10 CECDMO COC(=O)[C@@H](C)[N@@H+](C)Cc1c(C)ccc(C)c1O ZINC001140182567 816205918 /nfs/dbraw/zinc/20/59/18/816205918.db2.gz VNLWGIDQSFOILA-LLVKDONJSA-N 1 1 251.326 2.002 20 10 CECDMO Cc1cccc(O)c1C[N@H+]1CC[C@@](N)(C(F)(F)F)C1 ZINC001206250577 816217212 /nfs/dbraw/zinc/21/72/12/816217212.db2.gz HZJMBTLOAGRCFQ-LBPRGKRZSA-N 1 1 274.286 2.166 20 10 CECDMO COC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2O)CC1 ZINC001140462989 816260283 /nfs/dbraw/zinc/26/02/83/816260283.db2.gz RDHKJZREJSFWBE-UHFFFAOYSA-N 1 1 298.770 2.320 20 10 CECDMO Cc1ccc(O)c(C[N@@H+]2CCN(C(C)(C)C)C(=O)C2)c1 ZINC001140623537 816306937 /nfs/dbraw/zinc/30/69/37/816306937.db2.gz UDCQPHHPQNIWTJ-UHFFFAOYSA-N 1 1 276.380 2.143 20 10 CECDMO Cc1ccc(O)c(C[N@H+]2CCN(C(C)(C)C)C(=O)C2)c1 ZINC001140623537 816306943 /nfs/dbraw/zinc/30/69/43/816306943.db2.gz UDCQPHHPQNIWTJ-UHFFFAOYSA-N 1 1 276.380 2.143 20 10 CECDMO Oc1cc2c(cc1O)C[N@@H+](Cc1cc[nH]c1)CCC2 ZINC001140708306 816329103 /nfs/dbraw/zinc/32/91/03/816329103.db2.gz YMMDYJQNPOAWDL-UHFFFAOYSA-N 1 1 258.321 2.374 20 10 CECDMO Cc1c(O)ccc(C[N@@H+](C)Cc2cncs2)c1O ZINC001140747493 816341058 /nfs/dbraw/zinc/34/10/58/816341058.db2.gz BSDVBBHSCQRSJO-UHFFFAOYSA-N 1 1 264.350 2.495 20 10 CECDMO CO[C@@H]1CC[N@@H+](Cc2ccc(O)c(C)c2O)[C@@H](C)C1 ZINC001140751387 816342709 /nfs/dbraw/zinc/34/27/09/816342709.db2.gz USXFVZOUXNAXNY-GXFFZTMASA-N 1 1 265.353 2.406 20 10 CECDMO CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(O)c(C)c1O ZINC001140748833 816343300 /nfs/dbraw/zinc/34/33/00/816343300.db2.gz LNTGOXNSJVNEIW-ZDUSSCGKSA-N 1 1 293.363 2.324 20 10 CECDMO CCOC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(O)c(C)c1O ZINC001140748833 816343308 /nfs/dbraw/zinc/34/33/08/816343308.db2.gz LNTGOXNSJVNEIW-ZDUSSCGKSA-N 1 1 293.363 2.324 20 10 CECDMO Cc1c(O)ccc(C[N@H+](C)[C@H]2CCC3(C2)OCCO3)c1O ZINC001140749834 816343720 /nfs/dbraw/zinc/34/37/20/816343720.db2.gz NYFMDGLBCWHPAQ-ZDUSSCGKSA-N 1 1 293.363 2.134 20 10 CECDMO CCN(CC)c1ccc(C[N@H+]2CC[C@H]2COC)c(O)c1 ZINC001140856436 816383044 /nfs/dbraw/zinc/38/30/44/816383044.db2.gz KDMRLKJWMFYJGB-HNNXBMFYSA-N 1 1 278.396 2.459 20 10 CECDMO CCN(CC)c1ccc(C[N@H+]2CC[C@H](F)[C@H](O)C2)c(O)c1 ZINC001140850069 816384024 /nfs/dbraw/zinc/38/40/24/816384024.db2.gz CHQZWSWLAALAJP-GOEBONIOSA-N 1 1 296.386 2.143 20 10 CECDMO COc1cc(O)c(C[N@@H+]2CCC[C@@H](OC)CC2)c(OC)c1 ZINC001141029136 816450450 /nfs/dbraw/zinc/45/04/50/816450450.db2.gz JTKHHYPNQWDQEJ-GFCCVEGCSA-N 1 1 295.379 2.410 20 10 CECDMO COc1cc(O)c(C[N@@H+]2CCOC[C@@H]2C(C)C)c(OC)c1 ZINC001141028827 816450593 /nfs/dbraw/zinc/45/05/93/816450593.db2.gz BDLXLHIUAKEVFQ-CQSZACIVSA-N 1 1 295.379 2.266 20 10 CECDMO COc1cc(O)c(C[N@H+]2CCOC[C@@H]2C(C)C)c(OC)c1 ZINC001141028827 816450599 /nfs/dbraw/zinc/45/05/99/816450599.db2.gz BDLXLHIUAKEVFQ-CQSZACIVSA-N 1 1 295.379 2.266 20 10 CECDMO COc1cc(O)c(C[N@H+]2CCC[C@@](C)(O)CC2)c(OC)c1 ZINC001141032357 816451963 /nfs/dbraw/zinc/45/19/63/816451963.db2.gz ZJXLEYCUCGYVDK-MRXNPFEDSA-N 1 1 295.379 2.146 20 10 CECDMO COc1cc(O)c(C[N@H+]2CCC(=O)[C@@H](C)CC2)c(OC)c1 ZINC001141032163 816452138 /nfs/dbraw/zinc/45/21/38/816452138.db2.gz ULARULMGYKJSHL-NSHDSACASA-N 1 1 293.363 2.210 20 10 CECDMO COc1cc(O)c(C[N@@H+]2CCC(=O)[C@@H](C)CC2)c(OC)c1 ZINC001141032163 816452145 /nfs/dbraw/zinc/45/21/45/816452145.db2.gz ULARULMGYKJSHL-NSHDSACASA-N 1 1 293.363 2.210 20 10 CECDMO COc1cc(O)c(C[N@H+]2CC[C@@H](C)[C@](C)(O)C2)c(OC)c1 ZINC001141031972 816452500 /nfs/dbraw/zinc/45/25/00/816452500.db2.gz OWKAIPLMMASILJ-BDJLRTHQSA-N 1 1 295.379 2.002 20 10 CECDMO CN1CCOc2cc(C[N@H+]3CCC[C@H]4C[C@H]43)ccc21 ZINC001141144556 816485141 /nfs/dbraw/zinc/48/51/41/816485141.db2.gz GSJXSECVLCWCAV-DZGCQCFKSA-N 1 1 258.365 2.500 20 10 CECDMO 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C[C@H](CC[NH2+][C@@H](C)c1ccc(F)cc1O)[S@](C)=O ZINC000168846047 627687835 /nfs/dbraw/zinc/68/78/35/627687835.db2.gz SCTZHYHSXNTKEN-AUSHCKSDSA-N 1 1 273.373 2.339 20 10 CECDMO Cc1cc(O)c(C[N@@H+](C)CCN2CCCC2=O)cc1C ZINC000093320278 628636035 /nfs/dbraw/zinc/63/60/35/628636035.db2.gz LGLMYAUUUJXSPI-UHFFFAOYSA-N 1 1 276.380 2.063 20 10 CECDMO COC(=O)[C@]1(C)CCC[N@@H+](Cc2cc(C)ccc2O)C1 ZINC000840975149 628978814 /nfs/dbraw/zinc/97/88/14/628978814.db2.gz LUWBPGZDKQIHFF-MRXNPFEDSA-N 1 1 277.364 2.476 20 10 CECDMO CC(=O)N(C)C1CC[NH+](Cc2cc(F)cc(F)c2O)CC1 ZINC000893977635 629072053 /nfs/dbraw/zinc/07/20/53/629072053.db2.gz HRBOFGOTVGAHRF-UHFFFAOYSA-N 1 1 298.333 2.113 20 10 CECDMO COc1ccc(C[NH2+]Cc2nnc(C3CC3)s2)c(O)c1 ZINC000894185007 629196641 /nfs/dbraw/zinc/19/66/41/629196641.db2.gz JEIVYPWJWLHXRD-UHFFFAOYSA-N 1 1 291.376 2.420 20 10 CECDMO CC1=C(C)C[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000794878383 629344575 /nfs/dbraw/zinc/34/45/75/629344575.db2.gz CQRHWGAWGKHNOQ-OAHLLOKOSA-N 1 1 275.348 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SHSRDSIYGZQYBU-UHFFFAOYSA-N 1 1 264.369 2.056 20 10 CECDMO CC[C@H](CO)[N@@H+](C)Cc1ccc(N(C)C)cc1C ZINC000840950636 639599093 /nfs/dbraw/zinc/59/90/93/639599093.db2.gz MEAZYZOWDYACOY-CQSZACIVSA-N 1 1 250.386 2.264 20 10 CECDMO COc1ccc(O)c(C[N@H+]2CCCc3c(cnn3C)C2)c1 ZINC000840954727 639599896 /nfs/dbraw/zinc/59/98/96/639599896.db2.gz MXSFEMPHXHOCSK-UHFFFAOYSA-N 1 1 287.363 2.083 20 10 CECDMO C[N@@H+](Cc1cc(F)ccc1O)C(C)(C)CN1CCOCC1 ZINC000840977972 639606854 /nfs/dbraw/zinc/60/68/54/639606854.db2.gz OKBKBOHRLCTFIM-UHFFFAOYSA-N 1 1 296.386 2.074 20 10 CECDMO C[C@H](NCc1ccc(N(C)C)c(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000841032352 639624174 /nfs/dbraw/zinc/62/41/74/639624174.db2.gz BMMJMXDAOYUVEZ-GXTWGEPZSA-N 1 1 279.403 2.369 20 10 CECDMO CCN(CC)c1ccc(CNCC(F)(F)C[NH3+])cc1 ZINC000841060538 639636487 /nfs/dbraw/zinc/63/64/87/639636487.db2.gz ZLDHKUPQRIUPNY-UHFFFAOYSA-N 1 1 271.355 2.216 20 10 CECDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(N)cc2)[C@H](C)C1 ZINC000841298925 639732084 /nfs/dbraw/zinc/73/20/84/639732084.db2.gz URZUCUSXAKXWFP-IUODEOHRSA-N 1 1 290.411 2.463 20 10 CECDMO CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(F)c(F)c2[O-])C1 ZINC000876989060 650521914 /nfs/dbraw/zinc/52/19/14/650521914.db2.gz SVQXXCZQUPNLKU-NSHDSACASA-N 1 1 284.350 2.492 20 10 CECDMO C[C@H]([NH2+]CCCS(C)(=O)=O)c1ccc(Cl)cc1O ZINC000841746890 639857403 /nfs/dbraw/zinc/85/74/03/639857403.db2.gz MAFMQOBENQGNDP-VIFPVBQESA-N 1 1 291.800 2.131 20 10 CECDMO C[C@H]([NH2+]C[C@]1(C)CCC(=O)N1)c1ccc(Cl)cc1O ZINC000841755578 639859795 /nfs/dbraw/zinc/85/97/95/639859795.db2.gz JIVVNNRNHFUSLF-XPTSAGLGSA-N 1 1 282.771 2.365 20 10 CECDMO [NH3+]C1CCN(Cc2c(O)ccc(Cl)c2F)CC1 ZINC000843047263 640252324 /nfs/dbraw/zinc/25/23/24/640252324.db2.gz IUMITNYVSBRUKN-UHFFFAOYSA-N 1 1 258.724 2.108 20 10 CECDMO C[C@@H]1CN(Cc2cccc(Br)c2O)C[C@@H](C)[NH2+]1 ZINC000843049188 640253742 /nfs/dbraw/zinc/25/37/42/640253742.db2.gz IQXDHYHFLYFFDD-NXEZZACHSA-N 1 1 299.212 2.337 20 10 CECDMO [NH3+]C[C@H]1CCCN1Cc1cc(Cl)cc(F)c1O ZINC000843054350 640257582 /nfs/dbraw/zinc/25/75/82/640257582.db2.gz LFEFXSSFHMGJMC-SNVBAGLBSA-N 1 1 258.724 2.108 20 10 CECDMO Oc1c(Cl)cccc1CN1CC[NH2+]C[C@@H]1C(F)F ZINC000843125140 640292412 /nfs/dbraw/zinc/29/24/12/640292412.db2.gz XDTWTTCXRJPBJX-SNVBAGLBSA-N 1 1 276.714 2.085 20 10 CECDMO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)c1[O-] ZINC000843377581 640411357 /nfs/dbraw/zinc/41/13/57/640411357.db2.gz DIMUPFDRAYDSKN-LBPRGKRZSA-N 1 1 294.370 2.295 20 10 CECDMO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)c1[O-] ZINC000843377581 640411360 /nfs/dbraw/zinc/41/13/60/640411360.db2.gz DIMUPFDRAYDSKN-LBPRGKRZSA-N 1 1 294.370 2.295 20 10 CECDMO COc1ccc(N(C)CC[N@@H+](C)CCCF)cc1 ZINC000844402463 640709492 /nfs/dbraw/zinc/70/94/92/640709492.db2.gz YHZOWOKFXIUZGH-UHFFFAOYSA-N 1 1 254.349 2.423 20 10 CECDMO COc1ccc(N(C)CC[N@@H+](C)CCC[C@H](C)O)cc1 ZINC000844402979 640709498 /nfs/dbraw/zinc/70/94/98/640709498.db2.gz YPYKBVSWOSJFMQ-AWEZNQCLSA-N 1 1 280.412 2.224 20 10 CECDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)NCc1c(O)cccc1F ZINC000916361573 640760443 /nfs/dbraw/zinc/76/04/43/640760443.db2.gz PNRXWEJOOTZBGN-LLVKDONJSA-N 1 1 297.374 2.061 20 10 CECDMO COc1cccc([C@@H](C)[NH2+]CCCN(C)C)c1O ZINC000846136493 641198116 /nfs/dbraw/zinc/19/81/16/641198116.db2.gz IZKCWCGPCKMVCM-LLVKDONJSA-N 1 1 252.358 2.003 20 10 CECDMO COc1cccc([C@@H](C)[NH2+][C@H]2CCc3cn[nH]c3C2)c1O ZINC000846144276 641200865 /nfs/dbraw/zinc/20/08/65/641200865.db2.gz BXJMPEDPLYTPEZ-PWSUYJOCSA-N 1 1 287.363 2.332 20 10 CECDMO C[N@H+](Cc1cc2c(cc1O)OCO2)C[C@H]1CCCC[C@@H]1O ZINC000181098952 641509294 /nfs/dbraw/zinc/50/92/94/641509294.db2.gz AWYQHKDAWBDOJP-YPMHNXCESA-N 1 1 293.363 2.104 20 10 CECDMO Cc1cc(C[N@H+](C[C@H](C)O)C2CC2)ccc1N(C)C ZINC000847103878 641569251 /nfs/dbraw/zinc/56/92/51/641569251.db2.gz GMVZUXPWIYOZPL-ZDUSSCGKSA-N 1 1 262.397 2.406 20 10 CECDMO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1nccn1C ZINC000070443664 641669122 /nfs/dbraw/zinc/66/91/22/641669122.db2.gz HLSVHTNETYIARJ-LBPRGKRZSA-N 1 1 258.369 2.337 20 10 CECDMO Cc1ccc(C[N@H+](C)[C@@H](C)C(=O)NC(C)(C)C)c(O)c1 ZINC000877424824 650715700 /nfs/dbraw/zinc/71/57/00/650715700.db2.gz QCYNXICKHGBKIN-LBPRGKRZSA-N 1 1 278.396 2.436 20 10 CECDMO CCc1cccc(C[N@H+]2CC[C@](O)(C(F)(F)F)C2)c1O ZINC000848888236 642173345 /nfs/dbraw/zinc/17/33/45/642173345.db2.gz PMBRBWBQUVWEGL-CYBMUJFWSA-N 1 1 289.297 2.454 20 10 CECDMO CCc1cccc(C[N@H+]2CCO[C@H]([C@@H]3CCCO3)C2)c1O ZINC000848891223 642174759 /nfs/dbraw/zinc/17/47/59/642174759.db2.gz XMBITURHDSYJQO-HOTGVXAUSA-N 1 1 291.391 2.334 20 10 CECDMO CCc1cccc(C[N@H+]2CC[C@@H](C)[S@](=O)CC2)c1O ZINC000848905698 642182823 /nfs/dbraw/zinc/18/28/23/642182823.db2.gz LFHNILJNSCQYHG-CWTRNNRKSA-N 1 1 281.421 2.298 20 10 CECDMO CCc1cccc(C[N@H+]2CCO[C@]3(CCO[C@@H]3C)C2)c1O ZINC000848908380 642184040 /nfs/dbraw/zinc/18/40/40/642184040.db2.gz SHBWRCFMGLZWBO-CXAGYDPISA-N 1 1 291.391 2.334 20 10 CECDMO CCc1cccc(C[N@H+](C)[C@@H]2CC(C)(C)OC2=O)c1O ZINC000848914039 642188580 /nfs/dbraw/zinc/18/85/80/642188580.db2.gz HDPQEHASYZZVAW-CYBMUJFWSA-N 1 1 277.364 2.481 20 10 CECDMO CCc1cccc(C[N@@H+](C)[C@@H]2CC(C)(C)OC2=O)c1O ZINC000848914039 642188588 /nfs/dbraw/zinc/18/85/88/642188588.db2.gz HDPQEHASYZZVAW-CYBMUJFWSA-N 1 1 277.364 2.481 20 10 CECDMO CCc1cccc(C[N@@H+](C[C@@H]2CCC(=O)N2)C(C)C)c1O ZINC000848916961 642190946 /nfs/dbraw/zinc/19/09/46/642190946.db2.gz CCDLWSDTTLGMFU-HNNXBMFYSA-N 1 1 290.407 2.444 20 10 CECDMO NC(=O)[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1ccccc1 ZINC000921522104 642190981 /nfs/dbraw/zinc/19/09/81/642190981.db2.gz XVFREEGALFSPLH-KRWDZBQOSA-N 1 1 296.370 2.328 20 10 CECDMO CCCN1CCC[N@@H+](Cc2ccc(C)cc2O)CC1=O ZINC000877470484 650735779 /nfs/dbraw/zinc/73/57/79/650735779.db2.gz DNIJKJHAFBJZIB-UHFFFAOYSA-N 1 1 276.380 2.145 20 10 CECDMO Cc1ccc(C[N@@H+]2C[C@H](C)O[C@]3(CCOC3)C2)c(O)c1 ZINC000877492000 650748481 /nfs/dbraw/zinc/74/84/81/650748481.db2.gz DSZUPFDFAZHKHB-XJKSGUPXSA-N 1 1 277.364 2.080 20 10 CECDMO CN(C)c1ccc(C[NH2+]Cc2cc3n(n2)CCC3)cc1 ZINC000850010761 642540892 /nfs/dbraw/zinc/54/08/92/642540892.db2.gz HOSFKNGIUXTYHV-UHFFFAOYSA-N 1 1 270.380 2.185 20 10 CECDMO CC[C@@H]1C[N@@H+](Cc2c(C)cccc2O)C[C@H](C)[S@@]1=O ZINC000877519692 650763362 /nfs/dbraw/zinc/76/33/62/650763362.db2.gz ZLLGIPMCTITWMW-QUJCMNEKSA-N 1 1 281.421 2.432 20 10 CECDMO C[C@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2O)c2ncnn21 ZINC000850351406 642678082 /nfs/dbraw/zinc/67/80/82/642678082.db2.gz BCLSRAVUHGHHLY-KWQFWETISA-N 1 1 278.743 2.433 20 10 CECDMO Cc1ccc(C[N@@H+](C)[C@H]2CC(C)(C)OC2=O)c(O)c1 ZINC000877547605 650781226 /nfs/dbraw/zinc/78/12/26/650781226.db2.gz CNTWZVDFQXZPEL-LBPRGKRZSA-N 1 1 263.337 2.227 20 10 CECDMO Cc1ccc(C[N@H+](C)[C@H]2CC(C)(C)OC2=O)c(O)c1 ZINC000877547605 650781228 /nfs/dbraw/zinc/78/12/28/650781228.db2.gz CNTWZVDFQXZPEL-LBPRGKRZSA-N 1 1 263.337 2.227 20 10 CECDMO Cc1ccc(C[N@H+](C[C@H]2CCC(=O)N2)C(C)C)c(O)c1 ZINC000877591768 650804559 /nfs/dbraw/zinc/80/45/59/650804559.db2.gz IFTUUIFRAYRQII-CQSZACIVSA-N 1 1 276.380 2.190 20 10 CECDMO COC(OC)[C@@H](C)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000922313496 643024202 /nfs/dbraw/zinc/02/42/02/643024202.db2.gz QPCQAGOUBSETRE-SSDOTTSWSA-N 1 1 277.723 2.282 20 10 CECDMO CO[C@@H](C[N@@H+](C)Cc1ccc(N(C)C)cc1)[C@@H]1CCOC1 ZINC000851720756 643126482 /nfs/dbraw/zinc/12/64/82/643126482.db2.gz RYNNLZFTXZXCGT-WBVHZDCISA-N 1 1 292.423 2.236 20 10 CECDMO C[C@H]([NH2+]CC1(CO)CCC1)c1ccc(F)cc1O ZINC000186546983 643144732 /nfs/dbraw/zinc/14/47/32/643144732.db2.gz WNZNJVMHASNRGU-JTQLQIEISA-N 1 1 253.317 2.345 20 10 CECDMO COc1ccc(N2CC[C@H]([NH2+]Cc3ncc(C)o3)C2)cc1 ZINC000877620755 650818144 /nfs/dbraw/zinc/81/81/44/650818144.db2.gz MZVSYYOINXQEFZ-ZDUSSCGKSA-N 1 1 287.363 2.360 20 10 CECDMO Oc1cccc2c1C[N@H+](Cc1cnn3c1CCC3)C2 ZINC000877703096 650859685 /nfs/dbraw/zinc/85/96/85/650859685.db2.gz RGDAWDUXXVMMLM-UHFFFAOYSA-N 1 1 255.321 2.051 20 10 CECDMO Oc1cccc2c1C[N@@H+](Cc1cnn3c1CCC3)C2 ZINC000877703096 650859687 /nfs/dbraw/zinc/85/96/87/650859687.db2.gz RGDAWDUXXVMMLM-UHFFFAOYSA-N 1 1 255.321 2.051 20 10 CECDMO C[C@@]12COC[C@H]1C[N@@H+](Cc1cc3c(cc1O)CCC3)C2 ZINC000853565628 643814238 /nfs/dbraw/zinc/81/42/38/643814238.db2.gz HXTYWEUBEHUYRZ-NVXWUHKLSA-N 1 1 273.376 2.349 20 10 CECDMO CCc1cccc(CN2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c1O ZINC000877739428 650880821 /nfs/dbraw/zinc/88/08/21/650880821.db2.gz FUCZOVXXBGYEJP-HOCLYGCPSA-N 1 1 274.408 2.481 20 10 CECDMO CCc1cccc(CN2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c1O ZINC000877739428 650880824 /nfs/dbraw/zinc/88/08/24/650880824.db2.gz FUCZOVXXBGYEJP-HOCLYGCPSA-N 1 1 274.408 2.481 20 10 CECDMO CN(C)c1ccc(CN2CC[C@@H]3[C@H](CC[N@H+]3C)C2)cc1 ZINC000877743380 650889194 /nfs/dbraw/zinc/88/91/94/650889194.db2.gz KFORQDUAFFEYNF-NVXWUHKLSA-N 1 1 273.424 2.279 20 10 CECDMO Cn1cnc(CC[NH2+]Cc2c(O)ccc(Cl)c2F)c1 ZINC000839146995 644157879 /nfs/dbraw/zinc/15/78/79/644157879.db2.gz CIGFSRRPQRJUPK-UHFFFAOYSA-N 1 1 283.734 2.251 20 10 CECDMO CCOc1ccc(O)c(C[NH+]2CC(C)(OCC)C2)c1 ZINC000839142347 644172871 /nfs/dbraw/zinc/17/28/71/644172871.db2.gz IJADKJWXFAEGMN-UHFFFAOYSA-N 1 1 265.353 2.402 20 10 CECDMO C[C@@H]1COCC[N@@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000753988207 644307373 /nfs/dbraw/zinc/30/73/73/644307373.db2.gz VKJJKSCWVOLOIQ-LBPRGKRZSA-N 1 1 261.365 2.349 20 10 CECDMO C[C@H]([NH2+]CC[C@H](C)[S@](C)=O)c1cc(F)cc(F)c1O ZINC000756757902 644689331 /nfs/dbraw/zinc/68/93/31/644689331.db2.gz DLQDGBZQEYFZLZ-OWXODZSWSA-N 1 1 291.363 2.478 20 10 CECDMO C[C@H](CC[NH2+][C@@H](C)c1cc(F)cc(F)c1O)[S@@](C)=O ZINC000756757899 644689512 /nfs/dbraw/zinc/68/95/12/644689512.db2.gz DLQDGBZQEYFZLZ-BLBZPCKPSA-N 1 1 291.363 2.478 20 10 CECDMO Cc1cc(C[NH2+]Cc2c(O)cccc2Cl)ncn1 ZINC000756989265 644716317 /nfs/dbraw/zinc/71/63/17/644716317.db2.gz CHLPEIJOANHVSX-UHFFFAOYSA-N 1 1 263.728 2.434 20 10 CECDMO C[C@@H]([NH2+]C1COC(C)(C)OC1)c1cc(F)cc(F)c1O ZINC000757702847 644838190 /nfs/dbraw/zinc/83/81/90/644838190.db2.gz DYYMDRSRPZIMMV-MRVPVSSYSA-N 1 1 287.306 2.473 20 10 CECDMO COc1cccc(O)c1C[N@H+](C)Cc1cccnc1 ZINC000757875416 644853173 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CC[N@H+](C/C=C/c1ccc(N(C)C)cc1)CCOCCO ZINC000835050144 638039825 /nfs/dbraw/zinc/03/98/25/638039825.db2.gz PIKBYSJLWFERSX-AATRIKPKSA-N 1 1 292.423 2.097 20 10 CECDMO CN(C)c1ccc(/C=C/CN2CC[C@H]3C[N@@H+](C)C[C@H]32)cc1 ZINC000835057049 638041656 /nfs/dbraw/zinc/04/16/56/638041656.db2.gz XTSHHAKRGKWEFO-HRMTXBTBSA-N 1 1 285.435 2.402 20 10 CECDMO CN(C)c1ccc(/C=C/C[N@@H+]2CC[C@H]3CN(C)C[C@H]32)cc1 ZINC000835057049 638041669 /nfs/dbraw/zinc/04/16/69/638041669.db2.gz XTSHHAKRGKWEFO-HRMTXBTBSA-N 1 1 285.435 2.402 20 10 CECDMO CN(C)c1ccc(/C=C/C[N@H+]2CC[C@H]3CN(C)C[C@H]32)cc1 ZINC000835057049 638041677 /nfs/dbraw/zinc/04/16/77/638041677.db2.gz XTSHHAKRGKWEFO-HRMTXBTBSA-N 1 1 285.435 2.402 20 10 CECDMO CC[N@@H+](Cc1c(C)cccc1O)[C@H](C)CS(=O)(=O)CC ZINC000876734849 650413856 /nfs/dbraw/zinc/41/38/56/650413856.db2.gz AQADETLJCRJPKM-CYBMUJFWSA-N 1 1 299.436 2.346 20 10 CECDMO Cc1cccc(O)c1C[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000876762686 650423731 /nfs/dbraw/zinc/42/37/31/650423731.db2.gz 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C[NH+](C)CCn1cc(NCc2ccc(F)c(F)c2O)cn1 ZINC000877006943 650529111 /nfs/dbraw/zinc/52/91/11/650529111.db2.gz XCQFZUXSVLFDKA-UHFFFAOYSA-N 1 1 296.321 2.041 20 10 CECDMO CNC(=O)C[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841752534 639858472 /nfs/dbraw/zinc/85/84/72/639858472.db2.gz BGLJSQAZIPRVQS-BDAKNGLRSA-N 1 1 270.760 2.221 20 10 CECDMO Cc1cc(Cl)cc(C[N@H+]2CCCN(C=O)CC2)c1O ZINC000827871436 639989582 /nfs/dbraw/zinc/98/95/82/639989582.db2.gz ABHDKXRFYIEXFS-UHFFFAOYSA-N 1 1 282.771 2.018 20 10 CECDMO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H]2CCO)c1O ZINC000312765360 640141276 /nfs/dbraw/zinc/14/12/76/640141276.db2.gz CWBDCUAZWPINSR-ZDUSSCGKSA-N 1 1 281.327 2.081 20 10 CECDMO [NH3+][C@@H]1CCCN(Cc2cc(Cl)cc(F)c2O)C1 ZINC000843043767 640249587 /nfs/dbraw/zinc/24/95/87/640249587.db2.gz GMGQSYPBVNIPCX-SNVBAGLBSA-N 1 1 258.724 2.108 20 10 CECDMO C[C@@H]1CN(Cc2cc(Cl)cc(F)c2O)C[C@@H](C)[NH2+]1 ZINC000843049201 640253768 /nfs/dbraw/zinc/25/37/68/640253768.db2.gz JDWNVFMQFWRKHM-RKDXNWHRSA-N 1 1 272.751 2.367 20 10 CECDMO C[C@]1(C[NH3+])CCN(Cc2c(O)ccc(Cl)c2F)C1 ZINC000843116544 640286478 /nfs/dbraw/zinc/28/64/78/640286478.db2.gz ZGQKYXRXSSMKFP-CYBMUJFWSA-N 1 1 272.751 2.355 20 10 CECDMO CCOc1ccc(O)c(CN2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000843124240 640291282 /nfs/dbraw/zinc/29/12/82/640291282.db2.gz WJQQPJJJHDKCQU-QGZVFWFLSA-N 1 1 290.407 2.366 20 10 CECDMO Oc1ccc(Cl)c(F)c1CN1CC[NH2+]C[C@H]1C(F)F ZINC000843125112 640292470 /nfs/dbraw/zinc/29/24/70/640292470.db2.gz WPTIMYWTKQROET-VIFPVBQESA-N 1 1 294.704 2.224 20 10 CECDMO Cc1cc(O)c(C[N@@H+]2CCNC[C@@](C)(F)C2)cc1C ZINC000843125455 640292489 /nfs/dbraw/zinc/29/24/89/640292489.db2.gz WZCFNYHIVNXTNG-OAHLLOKOSA-N 1 1 266.360 2.142 20 10 CECDMO Cc1cc(O)c(C[N@H+]2CCNC[C@@](C)(F)C2)cc1C ZINC000843125455 640292492 /nfs/dbraw/zinc/29/24/92/640292492.db2.gz WZCFNYHIVNXTNG-OAHLLOKOSA-N 1 1 266.360 2.142 20 10 CECDMO Cc1ccc(O)c(C[N@H+]2CCO[C@@]3(CCSC3)C2)c1 ZINC000843417360 640420829 /nfs/dbraw/zinc/42/08/29/640420829.db2.gz CRTGKXCDRWTLPY-HNNXBMFYSA-N 1 1 279.405 2.409 20 10 CECDMO C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000843857408 640544685 /nfs/dbraw/zinc/54/46/85/640544685.db2.gz JLISMSIYKRUUEL-XJKCOSOUSA-N 1 1 289.423 2.270 20 10 CECDMO CCCN(C(=O)C1=CC(=O)CS1)[C@@H]1CC[N@H+](C)C1 ZINC000844146950 640616205 /nfs/dbraw/zinc/61/62/05/640616205.db2.gz TVGRNMDNCZEJOZ-SNVBAGLBSA-N 1 1 268.382 2.010 20 10 CECDMO CCCN(C(=O)C1=CC(=O)CS1)[C@@H]1CC[N@@H+](C)C1 ZINC000844146950 640616207 /nfs/dbraw/zinc/61/62/07/640616207.db2.gz TVGRNMDNCZEJOZ-SNVBAGLBSA-N 1 1 268.382 2.010 20 10 CECDMO COc1ccc(N(C)CC[N@@H+](C)CCOCC2CC2)cc1 ZINC000844400367 640708650 /nfs/dbraw/zinc/70/86/50/640708650.db2.gz AWLMAZTZWXADBW-UHFFFAOYSA-N 1 1 292.423 2.490 20 10 CECDMO Oc1cc2c(cc1C[N@H+]1CC[C@]3(CC3(F)F)C1)OCO2 ZINC000844760292 640830080 /nfs/dbraw/zinc/83/00/80/640830080.db2.gz PIGMYICLAWXGBT-ZDUSSCGKSA-N 1 1 283.274 2.352 20 10 CECDMO COC(=O)c1cnc(SC[C@H]2CCC[N@H+]2C)s1 ZINC000917778783 640916867 /nfs/dbraw/zinc/91/68/67/640916867.db2.gz UPIBNSMORMTGMM-MRVPVSSYSA-N 1 1 272.395 2.116 20 10 CECDMO COCc1cc(C[NH2+]Cc2cc(Cl)ccc2O)no1 ZINC000846055189 641165496 /nfs/dbraw/zinc/16/54/96/641165496.db2.gz JRVKQOPLVMHBRO-UHFFFAOYSA-N 1 1 282.727 2.470 20 10 CECDMO COc1cccc([C@H](C)[NH2+][C@H]2CCc3cn[nH]c3C2)c1O ZINC000846144273 641200168 /nfs/dbraw/zinc/20/01/68/641200168.db2.gz BXJMPEDPLYTPEZ-JQWIXIFHSA-N 1 1 287.363 2.332 20 10 CECDMO COc1cccc([C@@H](C)[NH2+]C[C@H](C)CN(C)C)c1O ZINC000846170244 641212044 /nfs/dbraw/zinc/21/20/44/641212044.db2.gz MVPDPCQLGCXWCC-NWDGAFQWSA-N 1 1 266.385 2.249 20 10 CECDMO CCOc1ccc(CN2CC[C@H]([NH3+])C[C@@H]2C)c(O)c1 ZINC000846699696 641401055 /nfs/dbraw/zinc/40/10/55/641401055.db2.gz VVZUCDTVXGHNJA-AAEUAGOBSA-N 1 1 264.369 2.103 20 10 CECDMO Cc1cccc(O)c1C[N@H+]1CCOCC2(CCOCC2)C1 ZINC000877316461 650671020 /nfs/dbraw/zinc/67/10/20/650671020.db2.gz AWUGWKLYIDUOAM-UHFFFAOYSA-N 1 1 291.391 2.330 20 10 CECDMO c1c(C[NH2+]Cc2ccc3c(c2)CCO3)nn2c1CCCC2 ZINC000848532737 642039697 /nfs/dbraw/zinc/03/96/97/642039697.db2.gz LQJCMMRYWIKBDB-UHFFFAOYSA-N 1 1 283.375 2.444 20 10 CECDMO CCCC[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000107797369 642103158 /nfs/dbraw/zinc/10/31/58/642103158.db2.gz JNJGTFGSZBUUDJ-UHFFFAOYSA-N 1 1 261.413 2.328 20 10 CECDMO CCc1cccc(C[N@@H+]2CCC[C@@H]2c2nncn2C)c1O ZINC000848889980 642175138 /nfs/dbraw/zinc/17/51/38/642175138.db2.gz PTMQHCCSPXCEOC-CQSZACIVSA-N 1 1 286.379 2.420 20 10 CECDMO CCc1cccc(C[N@H+]2CCC[C@@H]2c2nncn2C)c1O ZINC000848889980 642175141 /nfs/dbraw/zinc/17/51/41/642175141.db2.gz PTMQHCCSPXCEOC-CQSZACIVSA-N 1 1 286.379 2.420 20 10 CECDMO CCc1cccc(C[N@H+]2CC[C@@H](C)C[C@H]2C(N)=O)c1O ZINC000848904263 642181910 /nfs/dbraw/zinc/18/19/10/642181910.db2.gz OSBXTBHFYIUPQA-RISCZKNCSA-N 1 1 276.380 2.040 20 10 CECDMO CCCN1CCC[N@@H+](Cc2cccc(CC)c2O)CC1=O ZINC000848905276 642182939 /nfs/dbraw/zinc/18/29/39/642182939.db2.gz FYIHOXZTWQAYJH-UHFFFAOYSA-N 1 1 290.407 2.399 20 10 CECDMO Cc1cccc(O)c1C[N@@H+]1CC[C@H](C)[S@@](=O)CC1 ZINC000877476271 650739870 /nfs/dbraw/zinc/73/98/70/650739870.db2.gz AALRMHOFMHEIFO-SGTLLEGYSA-N 1 1 267.394 2.044 20 10 CECDMO C[N@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])CC(C)(C)[NH3+] ZINC000849349728 642341089 /nfs/dbraw/zinc/34/10/89/642341089.db2.gz GBYMFTYRNMHYFF-UHFFFAOYSA-N 1 1 287.747 2.123 20 10 CECDMO C[N@@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])CC(C)(C)[NH3+] ZINC000849349728 642341095 /nfs/dbraw/zinc/34/10/95/642341095.db2.gz GBYMFTYRNMHYFF-UHFFFAOYSA-N 1 1 287.747 2.123 20 10 CECDMO Cc1ccc(C[N@H+]2CCO[C@]3(CCO[C@H]3C)C2)c(O)c1 ZINC000877487286 650745699 /nfs/dbraw/zinc/74/56/99/650745699.db2.gz SDCYYXWEIKIOIB-XJKSGUPXSA-N 1 1 277.364 2.080 20 10 CECDMO Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@]3(CCCOC3)C2)c(O)c1 ZINC000877495549 650750427 /nfs/dbraw/zinc/75/04/27/650750427.db2.gz YLSTWCCXUIPOEA-PBHICJAKSA-N 1 1 291.391 2.471 20 10 CECDMO Cc1cccc(O)c1C[N@@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000877494281 650750719 /nfs/dbraw/zinc/75/07/19/650750719.db2.gz JIMNXBDMZQKYKV-PBHICJAKSA-N 1 1 291.391 2.471 20 10 CECDMO CCCn1cc(C[NH2+][C@H](C)c2cc(OC)ccc2O)nn1 ZINC000877533705 650773161 /nfs/dbraw/zinc/77/31/61/650773161.db2.gz QHROJEFNDSGEKR-LLVKDONJSA-N 1 1 290.367 2.253 20 10 CECDMO Cc1ccc(C[N@@H+](C)CCCn2ccnc2)c(O)c1 ZINC000877527603 650768570 /nfs/dbraw/zinc/76/85/70/650768570.db2.gz MDFCNMOBHPGTCM-UHFFFAOYSA-N 1 1 259.353 2.419 20 10 CECDMO COc1cccc(O)c1CN[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000850351468 642678028 /nfs/dbraw/zinc/67/80/28/642678028.db2.gz NCEBFWXQHWHHJO-GFCCVEGCSA-N 1 1 278.396 2.363 20 10 CECDMO COc1cccc(O)c1CN[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000850351468 642678031 /nfs/dbraw/zinc/67/80/31/642678031.db2.gz NCEBFWXQHWHHJO-GFCCVEGCSA-N 1 1 278.396 2.363 20 10 CECDMO Cc1ccc(C[N@H+]2CC[C@H]([C@H](O)C(F)(F)F)C2)c(O)c1 ZINC000877572342 650795166 /nfs/dbraw/zinc/79/51/66/650795166.db2.gz POSWPTJTBBYQKD-AAEUAGOBSA-N 1 1 289.297 2.446 20 10 CECDMO Cc1cccc(O)c1C[N@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000877603637 650809558 /nfs/dbraw/zinc/80/95/58/650809558.db2.gz RLWMWMLIXWRSNY-CYBMUJFWSA-N 1 1 284.363 2.177 20 10 CECDMO COc1cccc(CNCc2cc(N(C)C)cc[nH+]2)c1O ZINC000922477618 643087869 /nfs/dbraw/zinc/08/78/69/643087869.db2.gz BNKJLPYYCXTCTF-UHFFFAOYSA-N 1 1 287.363 2.152 20 10 CECDMO Cc1ccc(C[N@H+]2CCCc3n[nH]cc3C2)c(O)c1 ZINC000877643609 650831180 /nfs/dbraw/zinc/83/11/80/650831180.db2.gz LFNHNEXXBGMVRO-UHFFFAOYSA-N 1 1 257.337 2.372 20 10 CECDMO CN(C)c1ccc(C[N@H+]2C[C@@H]3COC[C@@]3(C)C2)cc1 ZINC000852534296 643460449 /nfs/dbraw/zinc/46/04/49/643460449.db2.gz KAJVCGOUFBVWEX-GDBMZVCRSA-N 1 1 260.381 2.221 20 10 CECDMO CC1([NH2+]Cc2cccc(Br)c2O)COC1 ZINC000877690962 650852003 /nfs/dbraw/zinc/85/20/03/650852003.db2.gz HLFQPQSERQTAJK-UHFFFAOYSA-N 1 1 272.142 2.033 20 10 CECDMO C[NH2+]C[C@H]1CCCN(Cc2ccc(N(C)C)c(C)c2)C1 ZINC000923282745 643638483 /nfs/dbraw/zinc/63/84/83/643638483.db2.gz PWVXKHAEBWDFKH-MRXNPFEDSA-N 1 1 275.440 2.492 20 10 CECDMO Cc1cc(C[N@H+]2C[C@H]3CCC[C@@H](C2)N3)ccc1N(C)C ZINC000923364175 643680042 /nfs/dbraw/zinc/68/00/42/643680042.db2.gz IXNFYZLJIBDKML-IYBDPMFKSA-N 1 1 273.424 2.387 20 10 CECDMO Cc1cc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)N3)ccc1N(C)C ZINC000923364175 643680045 /nfs/dbraw/zinc/68/00/45/643680045.db2.gz IXNFYZLJIBDKML-IYBDPMFKSA-N 1 1 273.424 2.387 20 10 CECDMO C[N@H+](Cc1cc2c(cc1O)CCCC2)C[C@@H]1COCCO1 ZINC000853558341 643812799 /nfs/dbraw/zinc/81/27/99/643812799.db2.gz RMACHXQUBGNVRZ-MRXNPFEDSA-N 1 1 291.391 2.118 20 10 CECDMO Oc1ccc2ccncc2c1C[N@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000853586984 643824102 /nfs/dbraw/zinc/82/41/02/643824102.db2.gz CJVYXJKYQWTKRY-ZIAGYGMSSA-N 1 1 284.359 2.409 20 10 CECDMO COc1cc(C[N@H+]2CC[C@H]3COC[C@@H]3C2)c(O)cc1C ZINC000853591320 643827122 /nfs/dbraw/zinc/82/71/22/643827122.db2.gz PTVNZQXEVQQVLD-JSGCOSHPSA-N 1 1 277.364 2.178 20 10 CECDMO CCOc1ccc(O)c(CN2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c1 ZINC000877743573 650888656 /nfs/dbraw/zinc/88/86/56/650888656.db2.gz LDWKPFMVCQBOQU-XJKSGUPXSA-N 1 1 290.407 2.317 20 10 CECDMO CN(C)c1ccc(CN2CC[C@H]3[C@H](CC[N@H+]3C)C2)cc1 ZINC000877743384 650889307 /nfs/dbraw/zinc/88/93/07/650889307.db2.gz KFORQDUAFFEYNF-WBVHZDCISA-N 1 1 273.424 2.279 20 10 CECDMO C[C@H](C1CC1)[N@@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839460623 644227515 /nfs/dbraw/zinc/22/75/15/644227515.db2.gz QGUSZMMEIOKXPU-CYBMUJFWSA-N 1 1 289.423 2.099 20 10 CECDMO CC(C)(O)[C@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000877836099 650928667 /nfs/dbraw/zinc/92/86/67/650928667.db2.gz MSHXXRNYYASPSG-NSHDSACASA-N 1 1 253.317 2.124 20 10 CECDMO C[C@@H]([NH2+]Cc1cnn(C)c1)c1cc(F)cc(F)c1O ZINC000756450910 644651048 /nfs/dbraw/zinc/65/10/48/644651048.db2.gz VTKJQKWKEYAMSK-MRVPVSSYSA-N 1 1 267.279 2.255 20 10 CECDMO [NH3+][C@]12CCC[C@@H]1CN(Cc1cc(Cl)cc(F)c1O)C2 ZINC000857225951 644858847 /nfs/dbraw/zinc/85/88/47/644858847.db2.gz BOTLBDKHQQBFFF-YGRLFVJLSA-N 1 1 284.762 2.498 20 10 CECDMO CCC[N@H+](Cc1ccccc1O)C[C@H](O)CC(C)(C)O ZINC000878152210 651014835 /nfs/dbraw/zinc/01/48/35/651014835.db2.gz WFJVDIIRPTYFEF-CQSZACIVSA-N 1 1 281.396 2.126 20 10 CECDMO CC[N@H+](C)C[C@H]1CCN(Cc2cc(OC)c(C)cc2O)C1 ZINC000768464822 646128390 /nfs/dbraw/zinc/12/83/90/646128390.db2.gz AVMWVOFWJCWSNE-CQSZACIVSA-N 1 1 292.423 2.483 20 10 CECDMO CC[N@@H+](C)C[C@H]1CCN(Cc2cc(OC)c(C)cc2O)C1 ZINC000768464822 646128394 /nfs/dbraw/zinc/12/83/94/646128394.db2.gz AVMWVOFWJCWSNE-CQSZACIVSA-N 1 1 292.423 2.483 20 10 CECDMO CCOc1ccc(C[N@H+]2CCC[C@H](CCO)C2)c(O)c1 ZINC000769333278 646247121 /nfs/dbraw/zinc/24/71/21/646247121.db2.gz JDCORKALGWMJGA-CYBMUJFWSA-N 1 1 279.380 2.385 20 10 CECDMO CC[N@H+]1CCN(Cc2ccc(N(C)C)c(F)c2)C[C@@H]1C ZINC000769381442 646256636 /nfs/dbraw/zinc/25/66/36/646256636.db2.gz OFVKSWACXIMHOA-ZDUSSCGKSA-N 1 1 279.403 2.418 20 10 CECDMO CN(C)c1ccc(C[N@H+](C)Cc2cn[nH]c2)cc1F ZINC000769425994 646264921 /nfs/dbraw/zinc/26/49/21/646264921.db2.gz RKOHJHBZZXHJCF-UHFFFAOYSA-N 1 1 262.332 2.247 20 10 CECDMO CN(C)c1ccc(C[N@@H+](C)Cc2cn[nH]c2)cc1F ZINC000769425994 646264925 /nfs/dbraw/zinc/26/49/25/646264925.db2.gz RKOHJHBZZXHJCF-UHFFFAOYSA-N 1 1 262.332 2.247 20 10 CECDMO CC(=O)c1cc(F)cc(C[N@H+]2CCC23CCOCC3)c1O ZINC000769892038 646332405 /nfs/dbraw/zinc/33/24/05/646332405.db2.gz GDPOWFDHCBNZLZ-UHFFFAOYSA-N 1 1 293.338 2.489 20 10 CECDMO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@](C)(O)C2)cc1F ZINC000862247922 646379141 /nfs/dbraw/zinc/37/91/41/646379141.db2.gz OGQPSSYSGYROGY-HNNXBMFYSA-N 1 1 284.350 2.378 20 10 CECDMO CN(C)c1cc(F)c(C[N@H+]2CCC[C@](C)(O)C2)cc1F ZINC000862247922 646379145 /nfs/dbraw/zinc/37/91/45/646379145.db2.gz OGQPSSYSGYROGY-HNNXBMFYSA-N 1 1 284.350 2.378 20 10 CECDMO C[C@@H]1C[N@H+](Cc2cc(F)c(N(C)C)cc2F)CC[C@@H]1O ZINC000862332347 646401727 /nfs/dbraw/zinc/40/17/27/646401727.db2.gz HCAVBLWOBNPMJS-BMIGLBTASA-N 1 1 284.350 2.234 20 10 CECDMO C[C@@H]1C[N@@H+](Cc2cc(F)c(N(C)C)cc2F)CC[C@@H]1O ZINC000862332347 646401732 /nfs/dbraw/zinc/40/17/32/646401732.db2.gz HCAVBLWOBNPMJS-BMIGLBTASA-N 1 1 284.350 2.234 20 10 CECDMO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)C[C@@H]1CCC(=O)N1 ZINC000771791291 646550767 /nfs/dbraw/zinc/55/07/67/646550767.db2.gz LZIKGGAUOXQBDW-HNNXBMFYSA-N 1 1 289.423 2.242 20 10 CECDMO C[NH2+]CCOCC[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000863544091 646752595 /nfs/dbraw/zinc/75/25/95/646752595.db2.gz KQLINEBIXCICDZ-CYBMUJFWSA-N 1 1 288.391 2.432 20 10 CECDMO CCN(C)c1ccc(C[N@H+]2C[C@H](C(N)=O)CC[C@@H]2C)cc1 ZINC000773749290 646772552 /nfs/dbraw/zinc/77/25/52/646772552.db2.gz SASSSWBXWUOPFA-DZGCQCFKSA-N 1 1 289.423 2.229 20 10 CECDMO C[C@@H]1CC[C@@H](NCc2c(O)ccc(Cl)c2F)C[NH2+]1 ZINC000863649279 646776486 /nfs/dbraw/zinc/77/64/86/646776486.db2.gz BIXGTXCETZOFBA-RKDXNWHRSA-N 1 1 272.751 2.415 20 10 CECDMO CCN(C)c1ccc(C[N@H+]2CCC[C@]2(C)CO)cc1 ZINC000773847683 646780756 /nfs/dbraw/zinc/78/07/56/646780756.db2.gz OZZBDIZAWSBAAJ-MRXNPFEDSA-N 1 1 262.397 2.490 20 10 CECDMO CCN(C)c1ccc(C[N@@H+](C)C2(CO)CCOCC2)cc1 ZINC000773889600 646784430 /nfs/dbraw/zinc/78/44/30/646784430.db2.gz YITCBUNGIAQFJU-UHFFFAOYSA-N 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C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000894783211 629640303 /nfs/dbraw/zinc/64/03/03/629640303.db2.gz QTWZINOWQXANEW-YGRLFVJLSA-N 1 1 284.350 2.442 20 10 CECDMO COc1cc(C)cc(C[N@H+](C)[C@@H]2CC(C)(C)OC2=O)c1O ZINC000894850469 629689219 /nfs/dbraw/zinc/68/92/19/629689219.db2.gz IRPQFEDUKBGTNI-GFCCVEGCSA-N 1 1 293.363 2.235 20 10 CECDMO COc1cc(C)cc(C[N@@H+](C)[C@@H]2CC(C)(C)OC2=O)c1O ZINC000894850469 629689223 /nfs/dbraw/zinc/68/92/23/629689223.db2.gz IRPQFEDUKBGTNI-GFCCVEGCSA-N 1 1 293.363 2.235 20 10 CECDMO COc1cccc(C[NH+]2CC(C(F)(F)F)C2)c1O ZINC000894892333 629728925 /nfs/dbraw/zinc/72/89/25/629728925.db2.gz QSICTIVCONTBBV-UHFFFAOYSA-N 1 1 261.243 2.395 20 10 CECDMO CC[C@H](C)[N@@H+](CCO)Cc1cc(C)cc(OC)c1O ZINC000894920629 629754273 /nfs/dbraw/zinc/75/42/73/629754273.db2.gz YPUAMEXJUYXYOR-LBPRGKRZSA-N 1 1 267.369 2.302 20 10 CECDMO COc1ccc(C[N@H+]2CCC[C@H](CO)[C@H]2C)c(O)c1OC ZINC000894941072 629766081 /nfs/dbraw/zinc/76/60/81/629766081.db2.gz 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631296471 /nfs/dbraw/zinc/29/64/71/631296471.db2.gz IFXIFHOGSGKFFZ-UHFFFAOYSA-N 1 1 280.368 2.014 20 10 CECDMO [O-]c1ccc(Cl)cc1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000841036379 631928403 /nfs/dbraw/zinc/92/84/03/631928403.db2.gz MEEIKCKDJGPKEU-SNVBAGLBSA-N 1 1 254.761 2.135 20 10 CECDMO Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2cnn(C)n2)c1O ZINC000808719558 632005997 /nfs/dbraw/zinc/00/59/97/632005997.db2.gz WDQNQIBEAFTSCJ-SECBINFHSA-N 1 1 280.759 2.333 20 10 CECDMO Cc1cc(C)c(O)c(C[N@H+]2CCO[C@H](CF)C2)c1 ZINC000840170880 632080613 /nfs/dbraw/zinc/08/06/13/632080613.db2.gz BSPLFXXKBVOJMH-CYBMUJFWSA-N 1 1 253.317 2.179 20 10 CECDMO COc1cccc(O)c1C[N@@H+]1C[C@H](N2CCCC2)C[C@@H]1C ZINC000809703906 632130473 /nfs/dbraw/zinc/13/04/73/632130473.db2.gz RRYCHNBJOLYPPD-UONOGXRCSA-N 1 1 290.407 2.459 20 10 CECDMO COc1cccc(O)c1C[N@H+]1C[C@H](N2CCCC2)C[C@@H]1C ZINC000809703906 632130477 /nfs/dbraw/zinc/13/04/77/632130477.db2.gz RRYCHNBJOLYPPD-UONOGXRCSA-N 1 1 290.407 2.459 20 10 CECDMO COc1cccc(O)c1C[N@@H+]1CC[C@H](N2CCCC2)[C@@H]1C ZINC000809724187 632133663 /nfs/dbraw/zinc/13/36/63/632133663.db2.gz GBPSQPZUAYCSQL-ZFWWWQNUSA-N 1 1 290.407 2.459 20 10 CECDMO COc1cccc(O)c1C[N@H+]1CC[C@H](N2CCCC2)[C@@H]1C ZINC000809724187 632133668 /nfs/dbraw/zinc/13/36/68/632133668.db2.gz GBPSQPZUAYCSQL-ZFWWWQNUSA-N 1 1 290.407 2.459 20 10 CECDMO Cc1cc(Br)c(O)c(C[N@@H+](C)[C@@H](C)CO)c1 ZINC000809742710 632136651 /nfs/dbraw/zinc/13/66/51/632136651.db2.gz GQMLHIDXECCHJO-VIFPVBQESA-N 1 1 288.185 2.276 20 10 CECDMO Cc1cc(Br)c(O)c(C[N@H+](C)[C@@H](C)CO)c1 ZINC000809742710 632136654 /nfs/dbraw/zinc/13/66/54/632136654.db2.gz GQMLHIDXECCHJO-VIFPVBQESA-N 1 1 288.185 2.276 20 10 CECDMO CCOc1ccc(C[N@@H+]2CCN3CCC2CC3)c(O)c1 ZINC000809742779 632136786 /nfs/dbraw/zinc/13/67/86/632136786.db2.gz KUNIRYFIUFOIQB-UHFFFAOYSA-N 1 1 276.380 2.071 20 10 CECDMO CCOc1ccc(C[N@H+]2CCN3CCC2CC3)c(O)c1 ZINC000809742779 632136791 /nfs/dbraw/zinc/13/67/91/632136791.db2.gz KUNIRYFIUFOIQB-UHFFFAOYSA-N 1 1 276.380 2.071 20 10 CECDMO Cc1c[nH]nc1C[NH2+]Cc1ccc(N(C)C)cc1C ZINC000810146668 632187704 /nfs/dbraw/zinc/18/77/04/632187704.db2.gz URNIEGZYSGAMJR-UHFFFAOYSA-N 1 1 258.369 2.382 20 10 CECDMO CCOc1ccc(C[NH2+][C@@H]2CCCN[C@@H]2C)c(O)c1 ZINC000841066232 632424844 /nfs/dbraw/zinc/42/48/44/632424844.db2.gz YNNFRMSEQBRDNT-BXUZGUMPSA-N 1 1 264.369 2.021 20 10 CECDMO CC[N@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H](C)OC ZINC000812808776 632587905 /nfs/dbraw/zinc/58/79/05/632587905.db2.gz LSFDUPQGDOKYFT-HNNXBMFYSA-N 1 1 292.423 2.380 20 10 CECDMO Cc1ccc(O)c(C[N@@H+](C)[C@@H]2CC(C)(C)OC2=O)c1 ZINC000814179940 632802202 /nfs/dbraw/zinc/80/22/02/632802202.db2.gz KDFXAIOODAQION-GFCCVEGCSA-N 1 1 263.337 2.227 20 10 CECDMO Cc1ccc(O)c(C[N@H+](C)[C@@H]2CC(C)(C)OC2=O)c1 ZINC000814179940 632802207 /nfs/dbraw/zinc/80/22/07/632802207.db2.gz KDFXAIOODAQION-GFCCVEGCSA-N 1 1 263.337 2.227 20 10 CECDMO Cc1ccc(O)c(C[N@@H+](C)[C@H]2CC(C)(C)OC2=O)c1 ZINC000814179941 632802577 /nfs/dbraw/zinc/80/25/77/632802577.db2.gz KDFXAIOODAQION-LBPRGKRZSA-N 1 1 263.337 2.227 20 10 CECDMO Cc1ccc(O)c(C[N@H+](C)[C@H]2CC(C)(C)OC2=O)c1 ZINC000814179941 632802582 /nfs/dbraw/zinc/80/25/82/632802582.db2.gz KDFXAIOODAQION-LBPRGKRZSA-N 1 1 263.337 2.227 20 10 CECDMO Cc1cc(C[NH2+][C@@H](C)c2cn(C)nn2)ccc1N(C)C ZINC000902871598 634864800 /nfs/dbraw/zinc/86/48/00/634864800.db2.gz QXZAXHVUSHMKAU-LBPRGKRZSA-N 1 1 273.384 2.040 20 10 CECDMO O=C1OC[C@@H]2C[N@@H+](Cc3ccc4ccccc4c3O)CCN12 ZINC000816515183 633405312 /nfs/dbraw/zinc/40/53/12/633405312.db2.gz RMUXWJCWKDHTFT-AWEZNQCLSA-N 1 1 298.342 2.182 20 10 CECDMO COc1ccc(O)c(C[N@@H+]2CC[C@]3(C2)CCCN(C)C3)c1 ZINC000816642268 633455413 /nfs/dbraw/zinc/45/54/13/633455413.db2.gz VCSDTKHEKXSVFX-QGZVFWFLSA-N 1 1 290.407 2.319 20 10 CECDMO COc1ccc(O)c(C[N@H+]2CC[C@]3(C2)CCCN(C)C3)c1 ZINC000816642268 633455416 /nfs/dbraw/zinc/45/54/16/633455416.db2.gz VCSDTKHEKXSVFX-QGZVFWFLSA-N 1 1 290.407 2.319 20 10 CECDMO COc1c(O)c(C[N@H+]2C[C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000816647222 633455622 /nfs/dbraw/zinc/45/56/22/633455622.db2.gz PKANKUOWYUZCQJ-IUCAKERBSA-N 1 1 266.297 2.149 20 10 CECDMO C[C@H]1C[C@H](CO)C[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000817280914 633618250 /nfs/dbraw/zinc/61/82/50/633618250.db2.gz FEWJYFDGQFSARK-ZFWWWQNUSA-N 1 1 262.397 2.203 20 10 CECDMO COc1cc(CN(C)C[C@@H]2CCC[N@H+]2C)c(O)cc1C ZINC000817371647 633643677 /nfs/dbraw/zinc/64/36/77/633643677.db2.gz BAPCYLUJJWRQHS-AWEZNQCLSA-N 1 1 278.396 2.235 20 10 CECDMO COc1cc(C[N@H+](C)C[C@@H]2CCCN2C)c(O)cc1C ZINC000817371647 633643680 /nfs/dbraw/zinc/64/36/80/633643680.db2.gz BAPCYLUJJWRQHS-AWEZNQCLSA-N 1 1 278.396 2.235 20 10 CECDMO COc1cc(C[N@@H+](C)C[C@@H]2CCCN2C)c(O)cc1C ZINC000817371647 633643682 /nfs/dbraw/zinc/64/36/82/633643682.db2.gz BAPCYLUJJWRQHS-AWEZNQCLSA-N 1 1 278.396 2.235 20 10 CECDMO Cc1cc(O)c(C[N@H+]2C[C@H](C)C[C@H](CO)C2)cc1C ZINC000817413086 633651610 /nfs/dbraw/zinc/65/16/10/633651610.db2.gz SWGOSUCSOFMMOP-RISCZKNCSA-N 1 1 263.381 2.459 20 10 CECDMO Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@H](O)CC[C@H]1C ZINC000817415035 633653402 /nfs/dbraw/zinc/65/34/02/633653402.db2.gz RYKODHKWBHBXHV-CZUORRHYSA-N 1 1 262.397 2.406 20 10 CECDMO CCN(CC)c1ccc(CN[C@H](C)C2C[NH2+]C2)cc1F ZINC000817903490 633764334 /nfs/dbraw/zinc/76/43/34/633764334.db2.gz PVXQVOQRBPDCAE-GFCCVEGCSA-N 1 1 279.403 2.369 20 10 CECDMO COc1ccc(N2CCC(NCC[NH2+]C3CC3)CC2)cc1 ZINC000817952268 633795725 /nfs/dbraw/zinc/79/57/25/633795725.db2.gz DEVQUFCFAIKNEX-UHFFFAOYSA-N 1 1 289.423 2.006 20 10 CECDMO CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817957581 633799985 /nfs/dbraw/zinc/79/99/85/633799985.db2.gz DDQWFTPKSLZWIR-GHMZBOCLSA-N 1 1 281.356 2.324 20 10 CECDMO CN1CC[C@H]([NH2+]CCc2ccc(N)cc2)[C@@H]2CCC[C@H]21 ZINC000817957715 633800241 /nfs/dbraw/zinc/80/02/41/633800241.db2.gz OMYBXRIVUXEZSS-YESZJQIVSA-N 1 1 273.424 2.274 20 10 CECDMO C[C@@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cc2c(cc1O)CCCC2 ZINC000817977136 633820250 /nfs/dbraw/zinc/82/02/50/633820250.db2.gz CFWCUDXGSHRKQU-MGJUMRQLSA-N 1 1 272.392 2.139 20 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OXXXQZVEBOYRTM-UHFFFAOYSA-N 1 1 270.760 2.050 20 10 CECDMO COc1ccc(C[NH2+][C@@H]2CCn3ccnc32)cc1C ZINC000824521426 635441110 /nfs/dbraw/zinc/44/11/10/635441110.db2.gz JQSJLBRQYUHPIF-CYBMUJFWSA-N 1 1 257.337 2.435 20 10 CECDMO CCOc1ccc(O)c(C[N@H+]2CC[C@H](CO)[C@@H]2CC)c1 ZINC000824636525 635468630 /nfs/dbraw/zinc/46/86/30/635468630.db2.gz RPRDIJPATWRPTN-DOMZBBRYSA-N 1 1 279.380 2.384 20 10 CECDMO Cc1cc(O)c(C[N@H+]2CC[C@H](CO)C2)cc1Cl ZINC000824655835 635471221 /nfs/dbraw/zinc/47/12/21/635471221.db2.gz AOXGZARJNWSCSB-JTQLQIEISA-N 1 1 255.745 2.168 20 10 CECDMO COc1cccc(C[N@@H+]2CC[C@@H](OC)[C@H](C)C2)c1O ZINC000824814713 635503782 /nfs/dbraw/zinc/50/37/82/635503782.db2.gz DUNRWSBJLLUGNF-DGCLKSJQSA-N 1 1 265.353 2.258 20 10 CECDMO Oc1cc2c(cc1C[N@H+]1CCSC[C@H]1C1CC1)OCO2 ZINC000824914322 635523772 /nfs/dbraw/zinc/52/37/72/635523772.db2.gz PGVHMJIXSWERQX-LBPRGKRZSA-N 1 1 293.388 2.448 20 10 CECDMO COc1cccc(O)c1C[N@@H+]1CC[S@@](=O)C(C)(C)CC1 ZINC000825024747 635542070 /nfs/dbraw/zinc/54/20/70/635542070.db2.gz UBCLPYRRPWRTIO-HXUWFJFHSA-N 1 1 297.420 2.134 20 10 CECDMO COc1cccc(O)c1C[N@H+]1CC[S@@](=O)C(C)(C)CC1 ZINC000825024747 635542072 /nfs/dbraw/zinc/54/20/72/635542072.db2.gz UBCLPYRRPWRTIO-HXUWFJFHSA-N 1 1 297.420 2.134 20 10 CECDMO CC1(C)C[NH2+]CC[C@H]1NCc1ccc2c(c1)CCCO2 ZINC000904355221 635586535 /nfs/dbraw/zinc/58/65/35/635586535.db2.gz LRWRFXNWRVZAQQ-MRXNPFEDSA-N 1 1 274.408 2.489 20 10 CECDMO COc1c(O)c(C[NH2+]C[C@@H]2C[C@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000825249893 635599282 /nfs/dbraw/zinc/59/92/82/635599282.db2.gz QIKBLGYLPKPVQM-RYUDHWBXSA-N 1 1 292.335 2.445 20 10 CECDMO COc1cccc(C[NH2+]Cc2cn(C3CCC3)nn2)c1O ZINC000825915807 635731641 /nfs/dbraw/zinc/73/16/41/635731641.db2.gz ARHKXAGXSAPXGH-UHFFFAOYSA-N 1 1 288.351 2.007 20 10 CECDMO C[C@@H](CCO)[N@@H+](C)Cc1ccc(Br)cc1O ZINC000826142668 635765895 /nfs/dbraw/zinc/76/58/95/635765895.db2.gz HRBCAKUSTVUBQI-VIFPVBQESA-N 1 1 288.185 2.357 20 10 CECDMO COc1ccc(O)c(C[N@H+]2CCO[C@](C)(C3CC3)C2)c1 ZINC000826878083 635870431 /nfs/dbraw/zinc/87/04/31/635870431.db2.gz SJRBBXGSTJWNTH-INIZCTEOSA-N 1 1 277.364 2.402 20 10 CECDMO COc1cccc(O)c1C[N@@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000827017787 636190897 /nfs/dbraw/zinc/19/08/97/636190897.db2.gz LBIFJKPAJIXARP-IYBDPMFKSA-N 1 1 277.364 2.259 20 10 CECDMO CCc1cccc(C[N@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)c1O ZINC000827134023 636229916 /nfs/dbraw/zinc/22/99/16/636229916.db2.gz ZRPPCKDBSYRAAW-UKRRQHHQSA-N 1 1 288.391 2.055 20 10 CECDMO Oc1ccc(F)cc1C[N@H+]1CCC[C@](O)(C2CC2)C1 ZINC000827151680 636238256 /nfs/dbraw/zinc/23/82/56/636238256.db2.gz IASXWDNAWONPIZ-OAHLLOKOSA-N 1 1 265.328 2.268 20 10 CECDMO COc1ccc(O)c(C[NH2+]Cc2nccc(OC)c2F)c1 ZINC000827260943 636273146 /nfs/dbraw/zinc/27/31/46/636273146.db2.gz SLTMOJWSBRQHFF-UHFFFAOYSA-N 1 1 292.310 2.233 20 10 CECDMO CCOc1ccc(O)c(C[N@H+]2C[C@@H]3COC[C@@]3(C)C2)c1 ZINC000827281687 636279815 /nfs/dbraw/zinc/27/98/15/636279815.db2.gz JLSHRHWXBLNLRS-CZUORRHYSA-N 1 1 277.364 2.259 20 10 CECDMO COc1c(O)c(C[N@@H+]2CC[C@H]3C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000827506220 636340586 /nfs/dbraw/zinc/34/05/86/636340586.db2.gz FBZNURCJDIIOON-ONGXEEELSA-N 1 1 278.308 2.151 20 10 CECDMO COc1c(O)c(C[N@H+]2CC[C@H]3C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000827506220 636340595 /nfs/dbraw/zinc/34/05/95/636340595.db2.gz FBZNURCJDIIOON-ONGXEEELSA-N 1 1 278.308 2.151 20 10 CECDMO Oc1cccc(Cl)c1C[N@H+]1CCC2(COC2)C1 ZINC000827645374 636375170 /nfs/dbraw/zinc/37/51/70/636375170.db2.gz WDECSCSYSCHKHR-UHFFFAOYSA-N 1 1 253.729 2.268 20 10 CECDMO Cc1ccc(O)c(C[N@H+]2CCc3nccnc3C2)c1 ZINC000827691914 636392687 /nfs/dbraw/zinc/39/26/87/636392687.db2.gz DBGMTFAYZOEPST-UHFFFAOYSA-N 1 1 255.321 2.049 20 10 CECDMO C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C1CC1)c1ccccc1O ZINC000827946297 636466010 /nfs/dbraw/zinc/46/60/10/636466010.db2.gz CUVZPNGCSHACFB-BXUZGUMPSA-N 1 1 274.364 2.196 20 10 CECDMO CCOc1cccc(C[N@H+]2CCCc3n[nH]cc3C2)c1O ZINC000828013940 636486282 /nfs/dbraw/zinc/48/62/82/636486282.db2.gz PEQDUZLOIDYZLV-UHFFFAOYSA-N 1 1 287.363 2.462 20 10 CECDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C2=CC(=O)CS2)C1 ZINC000830576305 637103756 /nfs/dbraw/zinc/10/37/56/637103756.db2.gz FNFRTROAAUSVRR-CMPLNLGQSA-N 1 1 280.393 2.010 20 10 CECDMO CCC[N@@H+](Cc1c(C)cccc1O)[C@H]1CCS(=O)(=O)C1 ZINC000876538856 650312114 /nfs/dbraw/zinc/31/21/14/650312114.db2.gz XUPZXSZPYOLWAC-ZDUSSCGKSA-N 1 1 297.420 2.100 20 10 CECDMO Cc1cccc(O)c1C[N@@H+](C)CC(=O)NCc1ccco1 ZINC000876541662 650313546 /nfs/dbraw/zinc/31/35/46/650313546.db2.gz DKGRBMFJQXMEOY-UHFFFAOYSA-N 1 1 288.347 2.042 20 10 CECDMO COC(=O)c1cc(C[N@@H+](C)Cc2ccccc2O)[nH]c1C ZINC000876615420 650360633 /nfs/dbraw/zinc/36/06/33/650360633.db2.gz FCJITWZKTQBKJX-UHFFFAOYSA-N 1 1 288.347 2.447 20 10 CECDMO CC[N@@H+](Cc1cnn(C)c1)Cc1ccc(C)cc1O ZINC000876635202 650369172 /nfs/dbraw/zinc/36/91/72/650369172.db2.gz OZXIMBVCFHDQHQ-UHFFFAOYSA-N 1 1 259.353 2.456 20 10 CECDMO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCn2ccnc21 ZINC000834590563 637884183 /nfs/dbraw/zinc/88/41/83/637884183.db2.gz XBMMQENNGVQTAP-HNNXBMFYSA-N 1 1 270.380 2.492 20 10 CECDMO Cc1cccc(O)c1C[N@@H+]1CCC[C@@H](NC(=O)C(C)C)C1 ZINC000876654280 650378394 /nfs/dbraw/zinc/37/83/94/650378394.db2.gz AYIVUGZIPHVPGN-CQSZACIVSA-N 1 1 290.407 2.437 20 10 CECDMO CC[C@H]([NH2+][C@H]1CC(=O)N(CC)C1)c1ccc(F)cc1O ZINC000834888605 637978923 /nfs/dbraw/zinc/97/89/23/637978923.db2.gz BHFMROHXCXVTSH-AAEUAGOBSA-N 1 1 280.343 2.193 20 10 CECDMO CCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(C)cc2O)C1 ZINC000876657932 650382514 /nfs/dbraw/zinc/38/25/14/650382514.db2.gz LQRBGGIIWRHYQQ-HNNXBMFYSA-N 1 1 290.407 2.439 20 10 CECDMO CN(C)c1ccc(/C=C/CNCC[NH+]2CCCC2)cc1 ZINC000835043043 638034821 /nfs/dbraw/zinc/03/48/21/638034821.db2.gz OKLHIKIEDMIYRS-AATRIKPKSA-N 1 1 273.424 2.451 20 10 CECDMO Cc1ccc(C[N@H+](C)[C@@H]2CCN(C3CC3)C2)c(O)c1 ZINC000876691525 650402382 /nfs/dbraw/zinc/40/23/82/650402382.db2.gz DVMPSDXHNHUYFT-OAHLLOKOSA-N 1 1 260.381 2.369 20 10 CECDMO Cc1ccc(CN(C)[C@@H]2CC[N@@H+](C3CC3)C2)c(O)c1 ZINC000876691525 650402384 /nfs/dbraw/zinc/40/23/84/650402384.db2.gz DVMPSDXHNHUYFT-OAHLLOKOSA-N 1 1 260.381 2.369 20 10 CECDMO Cc1ccc(CN(C)[C@@H]2CC[N@H+](C3CC3)C2)c(O)c1 ZINC000876691525 650402385 /nfs/dbraw/zinc/40/23/85/650402385.db2.gz DVMPSDXHNHUYFT-OAHLLOKOSA-N 1 1 260.381 2.369 20 10 CECDMO CCN(CC)C(=O)C[N@@H+](C)Cc1ccc(N(C)C)cc1C ZINC000840908809 639581259 /nfs/dbraw/zinc/58/12/59/639581259.db2.gz YAGIOFZEQCKGAW-UHFFFAOYSA-N 1 1 291.439 2.361 20 10 CECDMO CCC[N@H+](CC(=O)NC)Cc1c(O)cc(C)cc1Cl ZINC000840911445 639582941 /nfs/dbraw/zinc/58/29/41/639582941.db2.gz BCGUXUYNOLGTOO-UHFFFAOYSA-N 1 1 284.787 2.312 20 10 CECDMO CCC[N@@H+](CC(=O)NC)Cc1c(O)cc(C)cc1Cl ZINC000840911445 639582943 /nfs/dbraw/zinc/58/29/43/639582943.db2.gz BCGUXUYNOLGTOO-UHFFFAOYSA-N 1 1 284.787 2.312 20 10 CECDMO Cc1cc(O)c(C[N@@H+]2CCO[C@]3(CCOC3)C2)c(Cl)c1 ZINC000840937554 639592926 /nfs/dbraw/zinc/59/29/26/639592926.db2.gz JPXVWWIIGSDIRW-OAHLLOKOSA-N 1 1 297.782 2.345 20 10 CECDMO Cc1cc(O)c(C[N@H+]2CCO[C@]3(CCOC3)C2)c(Cl)c1 ZINC000840937554 639592928 /nfs/dbraw/zinc/59/29/28/639592928.db2.gz JPXVWWIIGSDIRW-OAHLLOKOSA-N 1 1 297.782 2.345 20 10 CECDMO C[C@@H]1[C@@H](CO)CCC[N@H+]1Cc1cc(F)ccc1O ZINC000840978545 639607905 /nfs/dbraw/zinc/60/79/05/639607905.db2.gz OIMYYEWHCWHKJV-GHMZBOCLSA-N 1 1 253.317 2.124 20 10 CECDMO CN(C)c1ccc(/C=C\CNC2CC[NH2+]CC2)cc1 ZINC000841028488 639621370 /nfs/dbraw/zinc/62/13/70/639621370.db2.gz HKRHFUAXCPSOHI-ARJAWSKDSA-N 1 1 259.397 2.107 20 10 CECDMO CN(C)c1ccc(/C=C/CN[C@@H]2CCC[NH2+]CC2)cc1 ZINC000841057501 639635499 /nfs/dbraw/zinc/63/54/99/639635499.db2.gz IXSBHOSIJRPBQB-LLCTXKFZSA-N 1 1 273.424 2.498 20 10 CECDMO CCOCc1cc(C[NH2+]C[C@@H]2C[C@H](F)CN2)ccc1OC ZINC000841079722 639648333 /nfs/dbraw/zinc/64/83/33/639648333.db2.gz QFFNFVPTYQDLRY-GJZGRUSLSA-N 1 1 296.386 2.021 20 10 CECDMO [O-]c1ccc(Cl)cc1C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000841078743 639648517 /nfs/dbraw/zinc/64/85/17/639648517.db2.gz JPMROXMIXAZOQP-ZDUSSCGKSA-N 1 1 266.772 2.277 20 10 CECDMO COc1cc(Cl)cc(C[N@@H+](C)[C@H]2CCOC2)c1O ZINC000228660253 639650420 /nfs/dbraw/zinc/65/04/20/639650420.db2.gz PEDBFOPQOTXOQR-NSHDSACASA-N 1 1 271.744 2.275 20 10 CECDMO [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC000841085212 639650575 /nfs/dbraw/zinc/65/05/75/639650575.db2.gz XBATVYFPUSDYIF-CABZTGNLSA-N 1 1 254.761 2.263 20 10 CECDMO C[C@H]([NH2+]CCC(=O)N(C)C)c1ccc(Cl)cc1O ZINC000841746217 639857485 /nfs/dbraw/zinc/85/74/85/639857485.db2.gz DCWZUZRADBPWTF-VIFPVBQESA-N 1 1 270.760 2.175 20 10 CECDMO C[C@H]([NH2+]Cc1cn(C)nn1)c1ccc(Cl)cc1O ZINC000841754410 639859012 /nfs/dbraw/zinc/85/90/12/639859012.db2.gz QXVZHGNXTWNLAZ-QMMMGPOBSA-N 1 1 266.732 2.025 20 10 CECDMO CC[C@H](C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1)OC ZINC000842146919 639966170 /nfs/dbraw/zinc/96/61/70/639966170.db2.gz FBLPZSBACHXBMO-QGZVFWFLSA-N 1 1 292.423 2.380 20 10 CECDMO COc1cc(C)cc(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)c1O ZINC000842621958 640121977 /nfs/dbraw/zinc/12/19/77/640121977.db2.gz FLAMHNNRIXPBBG-OCCSQVGLSA-N 1 1 277.364 2.320 20 10 CECDMO C[C@H]([NH2+]CC(C)(C)[C@]1(O)CCOC1)c1ccc(F)cc1O ZINC000842919704 640221348 /nfs/dbraw/zinc/22/13/48/640221348.db2.gz NGRSATALEMQFQM-ZBEGNZNMSA-N 1 1 297.370 2.360 20 10 CECDMO CCN(CC)c1ccc(CN(C)CCC[NH3+])cc1F ZINC000843050877 640255001 /nfs/dbraw/zinc/25/50/01/640255001.db2.gz TVJWQBMZKTXLBL-UHFFFAOYSA-N 1 1 267.392 2.453 20 10 CECDMO C[NH2+]C[C@H]1CCN(Cc2cc(Cl)cc(F)c2O)C1 ZINC000843053336 640256011 /nfs/dbraw/zinc/25/60/11/640256011.db2.gz WTYPWLUYNCKSOU-SECBINFHSA-N 1 1 272.751 2.226 20 10 CECDMO C[C@@H]1CN(C/C=C\c2ccc(N(C)C)cc2)CC[C@H]1[NH3+] ZINC000843052790 640256250 /nfs/dbraw/zinc/25/62/50/640256250.db2.gz WJIHVJJPTNKREU-AYUWKEHRSA-N 1 1 273.424 2.435 20 10 CECDMO C[C@H]([NH3+])[C@H]1CCCN(Cc2ccc(N(C)C)c(F)c2)C1 ZINC000843052446 640256542 /nfs/dbraw/zinc/25/65/42/640256542.db2.gz UEPDNEDXDGHJQW-JSGCOSHPSA-N 1 1 279.403 2.451 20 10 CECDMO C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000843056879 640259523 /nfs/dbraw/zinc/25/95/23/640259523.db2.gz BIJRZTCMVKMMQT-DTWKUNHWSA-N 1 1 272.751 2.354 20 10 CECDMO CCC[C@H]1CNCC[N@@H+]1Cc1cccc(OCC)c1O ZINC000843057760 640260242 /nfs/dbraw/zinc/26/02/42/640260242.db2.gz HYCFLAVCBDTIHV-AWEZNQCLSA-N 1 1 278.396 2.365 20 10 CECDMO CCC[C@H]1CNCC[N@H+]1Cc1cccc(OCC)c1O ZINC000843057760 640260244 /nfs/dbraw/zinc/26/02/44/640260244.db2.gz HYCFLAVCBDTIHV-AWEZNQCLSA-N 1 1 278.396 2.365 20 10 CECDMO C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000843058738 640261256 /nfs/dbraw/zinc/26/12/56/640261256.db2.gz XFIHVOZAOZEKNW-BDAKNGLRSA-N 1 1 299.758 2.123 20 10 CECDMO [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cccc(F)c3[O-])C[C@H]21 ZINC000843059279 640261696 /nfs/dbraw/zinc/26/16/96/640261696.db2.gz JBZZVXGKYFFZAD-MPKXVKKWSA-N 1 1 264.344 2.091 20 10 CECDMO C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000843058485 640261967 /nfs/dbraw/zinc/26/19/67/640261967.db2.gz UIAHEKIYZLQXAF-UWVGGRQHSA-N 1 1 254.761 2.215 20 10 CECDMO [O-]c1c(F)cccc1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000843124367 640290522 /nfs/dbraw/zinc/29/05/22/640290522.db2.gz ZGVHCKXPCILRPE-OAHLLOKOSA-N 1 1 264.344 2.107 20 10 CECDMO Oc1c(F)cccc1CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000843124367 640290525 /nfs/dbraw/zinc/29/05/25/640290525.db2.gz ZGVHCKXPCILRPE-OAHLLOKOSA-N 1 1 264.344 2.107 20 10 CECDMO C[C@]1(F)C[NH2+]CCN(Cc2cc(Cl)cc(F)c2O)C1 ZINC000843125625 640292295 /nfs/dbraw/zinc/29/22/95/640292295.db2.gz ZFCBDWFUULXEQC-ZDUSSCGKSA-N 1 1 290.741 2.318 20 10 CECDMO [O-]c1c(F)cccc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000843125438 640292397 /nfs/dbraw/zinc/29/23/97/640292397.db2.gz WNVLESYWUYWOOI-QWHCGFSZSA-N 1 1 278.371 2.353 20 10 CECDMO CCC[N@@H+](Cc1cc(OC)ccc1O)[C@@H]1CCN(C)C1 ZINC000843422819 640424079 /nfs/dbraw/zinc/42/40/79/640424079.db2.gz SUUVEEJIRUKAIN-CQSZACIVSA-N 1 1 278.396 2.317 20 10 CECDMO CCOCC[N@@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844399158 640707555 /nfs/dbraw/zinc/70/75/55/640707555.db2.gz HOWYYRMVOANGLJ-UHFFFAOYSA-N 1 1 266.385 2.100 20 10 CECDMO COc1ccc(N(C)CC[N@@H+](C)CCC(C)(C)O)cc1 ZINC000844400690 640708230 /nfs/dbraw/zinc/70/82/30/640708230.db2.gz GNZLRZOQHQUOLD-UHFFFAOYSA-N 1 1 280.412 2.224 20 10 CECDMO Oc1cc2c(cc1C[N@H+]1CC[C@@]3(CC3(F)F)C1)[C@H](O)CO2 ZINC000844756297 640828293 /nfs/dbraw/zinc/82/82/93/640828293.db2.gz JXAHIFUOVGGOAF-TZMCWYRMSA-N 1 1 297.301 2.049 20 10 CECDMO [NH3+]CC1(CC[NH2+]Cc2c([O-])cccc2Cl)CC1 ZINC000844902580 640860109 /nfs/dbraw/zinc/86/01/09/640860109.db2.gz RNOAFFVWKFHITH-UHFFFAOYSA-N 1 1 254.761 2.264 20 10 CECDMO CN(C)c1ccc(C[N@@H+](C)Cc2cncnc2)cc1 ZINC000155185824 641116353 /nfs/dbraw/zinc/11/63/53/641116353.db2.gz JPIZZHGFZXAUPZ-UHFFFAOYSA-N 1 1 256.353 2.175 20 10 CECDMO CCOc1ccc(O)c(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)c1 ZINC000846113544 641188287 /nfs/dbraw/zinc/18/82/87/641188287.db2.gz YMNGKXXDSVGFOS-TXEJJXNPSA-N 1 1 269.291 2.488 20 10 CECDMO CC(C)C[N@@H+](C)CCCNC(=O)C1=CC(=O)CS1 ZINC000846660736 641378924 /nfs/dbraw/zinc/37/89/24/641378924.db2.gz 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1 1 290.407 2.317 20 10 CECDMO CCOc1cccc(C[N@H+]2CC[C@@H]3CCN(C)[C@H]3C2)c1O ZINC000378526668 329054101 /nfs/dbraw/zinc/05/41/01/329054101.db2.gz QZULGKSNKOCKFX-ZFWWWQNUSA-N 1 1 290.407 2.317 20 10 CECDMO CCN(CC)c1ccc(C[NH2+]Cc2nncn2CC)cc1 ZINC000218221910 333129557 /nfs/dbraw/zinc/12/95/57/333129557.db2.gz UMNSTQQYTRSFQH-UHFFFAOYSA-N 1 1 287.411 2.434 20 10 CECDMO Cc1cccc(CN2CCC[N@H+]3CCC[C@H]3C2)c1O ZINC000252729576 334387625 /nfs/dbraw/zinc/38/76/25/334387625.db2.gz HHEFTFDFYKPQPT-HNNXBMFYSA-N 1 1 260.381 2.371 20 10 CECDMO Cc1cccc(C[N@@H+]2CCCN3CCC[C@H]3C2)c1O ZINC000252729576 334387626 /nfs/dbraw/zinc/38/76/26/334387626.db2.gz HHEFTFDFYKPQPT-HNNXBMFYSA-N 1 1 260.381 2.371 20 10 CECDMO Cc1cccc(C[N@H+]2CCCN3CCC[C@H]3C2)c1O ZINC000252729576 334387628 /nfs/dbraw/zinc/38/76/28/334387628.db2.gz HHEFTFDFYKPQPT-HNNXBMFYSA-N 1 1 260.381 2.371 20 10 CECDMO CCC[N@@H+](CCC(=O)N(C)C)Cc1ccccc1O ZINC000263925425 521628980 /nfs/dbraw/zinc/62/89/80/521628980.db2.gz YHKGGICTIYWZSX-UHFFFAOYSA-N 1 1 264.369 2.083 20 10 CECDMO CCCOc1ccc(C[N@H+]2C[C@@H](F)C[C@@H]2CO)c(O)c1 ZINC000364846788 520352096 /nfs/dbraw/zinc/35/20/96/520352096.db2.gz VINMQWFNWNCMAE-QWHCGFSZSA-N 1 1 283.343 2.086 20 10 CECDMO CCN(CC)c1ccc(C[N@@H+](C)CCCO)cc1 ZINC000265968881 520892737 /nfs/dbraw/zinc/89/27/37/520892737.db2.gz ULILQGAAXYNXRQ-UHFFFAOYSA-N 1 1 250.386 2.347 20 10 CECDMO CC1CC[NH+](CCNCc2ccc3c(c2)CCO3)CC1 ZINC000040445342 521013740 /nfs/dbraw/zinc/01/37/40/521013740.db2.gz RHJHLPKLPYVCQN-UHFFFAOYSA-N 1 1 274.408 2.443 20 10 CECDMO COc1c(O)c(C[NH2+]CC2CCC2)ccc1[N+](=O)[O-] ZINC000278640010 521875983 /nfs/dbraw/zinc/87/59/83/521875983.db2.gz HSQQSMIEPJREAR-UHFFFAOYSA-N 1 1 266.297 2.199 20 10 CECDMO COc1c(O)c(C[NH2+]C[C@@H]2C[C@H]2C)ccc1[N+](=O)[O-] ZINC000278837866 521878560 /nfs/dbraw/zinc/87/85/60/521878560.db2.gz JJIMWWAERPOJHH-SCZZXKLOSA-N 1 1 266.297 2.055 20 10 CECDMO CN(C)c1ccc(CNCC2([NH+](C)C)CCC2)cc1F ZINC000275582653 522205250 /nfs/dbraw/zinc/20/52/50/522205250.db2.gz IEIAJYPFAXLVIN-UHFFFAOYSA-N 1 1 279.403 2.466 20 10 CECDMO COC[C@H](O)C[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000278680497 522803511 /nfs/dbraw/zinc/80/35/11/522803511.db2.gz JVERQGHXSRKFKE-JGVFFNPUSA-N 1 1 294.178 2.357 20 10 CECDMO COCCCCC[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278928081 523132661 /nfs/dbraw/zinc/13/26/61/523132661.db2.gz VSSBFTBGMOVKHI-UHFFFAOYSA-N 1 1 298.339 2.215 20 10 CECDMO CC[C@@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)C[C@@H](C)O1 ZINC000247514070 523447623 /nfs/dbraw/zinc/44/76/23/523447623.db2.gz KAVPXYZNWDPPPX-ZYHUDNBSSA-N 1 1 279.336 2.120 20 10 CECDMO CC[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)C[C@@H](C)O1 ZINC000247514070 523447633 /nfs/dbraw/zinc/44/76/33/523447633.db2.gz KAVPXYZNWDPPPX-ZYHUDNBSSA-N 1 1 279.336 2.120 20 10 CECDMO CC[C@@H]1C[N@H+](Cc2cc(C)ccc2O)C[C@H](C)[S@]1=O ZINC000289831903 523450490 /nfs/dbraw/zinc/45/04/90/523450490.db2.gz UGWDDIDKMGUPBM-CFZJUORYSA-N 1 1 281.421 2.432 20 10 CECDMO CC[C@@H]1C[N@@H+](Cc2cc(C)ccc2O)C[C@H](C)[S@]1=O ZINC000289831903 523450497 /nfs/dbraw/zinc/45/04/97/523450497.db2.gz UGWDDIDKMGUPBM-CFZJUORYSA-N 1 1 281.421 2.432 20 10 CECDMO CCn1nccc1CC[N@@H+](C)Cc1ccccc1O ZINC000276320521 523711772 /nfs/dbraw/zinc/71/17/72/523711772.db2.gz OPKKFDRZOPLQOV-UHFFFAOYSA-N 1 1 259.353 2.283 20 10 CECDMO COC(=O)[C@@]1(C)CC[N@H+]([C@@H](C)c2cc(OC)ccc2O)C1 ZINC000368794276 523835402 /nfs/dbraw/zinc/83/54/02/523835402.db2.gz ASZNHWVCSUBYRE-ZBEGNZNMSA-N 1 1 293.363 2.347 20 10 CECDMO Cc1cccc(C[N@@H+](C)CCN2CCOC(C)(C)C2)c1O ZINC000279398018 524374821 /nfs/dbraw/zinc/37/48/21/524374821.db2.gz KSSXQTXZPXQALI-UHFFFAOYSA-N 1 1 292.423 2.243 20 10 CECDMO Cc1cccc(C[N@H+](C)[C@H]2CCN(C)C[C@H]2C)c1O ZINC000290414345 524379950 /nfs/dbraw/zinc/37/99/50/524379950.db2.gz KFYQRUKATXVDGR-HIFRSBDPSA-N 1 1 262.397 2.473 20 10 CECDMO Cc1ccc(O)c(C[N@H+](C)[C@@H]2CCN(C)C[C@@H]2C)c1 ZINC000290364722 525338147 /nfs/dbraw/zinc/33/81/47/525338147.db2.gz HBPSFSKQBPYTCX-DZGCQCFKSA-N 1 1 262.397 2.473 20 10 CECDMO COc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)c1O ZINC000280671162 525956144 /nfs/dbraw/zinc/95/61/44/525956144.db2.gz UFRRUVLAUYDFAW-IAQYHMDHSA-N 1 1 277.364 2.400 20 10 CECDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000729512192 574488929 /nfs/dbraw/zinc/48/89/29/574488929.db2.gz CSZSAJCCRPSQGU-OAHLLOKOSA-N 1 1 289.423 2.053 20 10 CECDMO COC[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000739874805 574935277 /nfs/dbraw/zinc/93/52/77/574935277.db2.gz XLHLOICULGZOPY-GFCCVEGCSA-N 1 1 261.365 2.349 20 10 CECDMO CCCC[N@@H+](CC(N)=O)Cc1ccc(N(C)CC)cc1 ZINC000741754709 574996518 /nfs/dbraw/zinc/99/65/18/574996518.db2.gz VZUKXIYLYFEJJP-UHFFFAOYSA-N 1 1 277.412 2.230 20 10 CECDMO Oc1cc2c(cc1C[N@@H+]1C[C@H]3CC[C@@H](C1)O3)CCC2 ZINC000744435317 575121162 /nfs/dbraw/zinc/12/11/62/575121162.db2.gz DZACJLDRJOQHMS-GASCZTMLSA-N 1 1 259.349 2.244 20 10 CECDMO CCC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(N(C)C)cc1 ZINC000749564405 575225680 /nfs/dbraw/zinc/22/56/80/575225680.db2.gz VHDVGCOAUUOYTQ-INIZCTEOSA-N 1 1 289.423 2.243 20 10 CECDMO CC[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)CCO1 ZINC000125551539 649939336 /nfs/dbraw/zinc/93/93/36/649939336.db2.gz UBWSBBQJLQMDMR-KRWDZBQOSA-N 1 1 290.407 2.134 20 10 CECDMO Oc1ccccc1C[N@H+](Cc1cncnc1)C[C@@H]1CCCO1 ZINC000160167535 622546992 /nfs/dbraw/zinc/54/69/92/622546992.db2.gz MKZCUVFNPFDPEK-INIZCTEOSA-N 1 1 299.374 2.363 20 10 CECDMO CN1CCCc2cc(C[NH2+]Cc3ncc[nH]3)ccc21 ZINC000067694608 622567252 /nfs/dbraw/zinc/56/72/52/622567252.db2.gz DQAZPGBPTAYGKP-UHFFFAOYSA-N 1 1 256.353 2.082 20 10 CECDMO CC[C@@H]1COCC[N@H+]1Cc1cc(OC)c(C)cc1O ZINC000160233185 622579322 /nfs/dbraw/zinc/57/93/22/622579322.db2.gz BFBLMAPIYXPJFX-CYBMUJFWSA-N 1 1 265.353 2.320 20 10 CECDMO CC[C@H]1COCC[N@H+]1Cc1cc(OC)c(C)cc1O ZINC000160233300 622579765 /nfs/dbraw/zinc/57/97/65/622579765.db2.gz BFBLMAPIYXPJFX-ZDUSSCGKSA-N 1 1 265.353 2.320 20 10 CECDMO COc1cc(C[N@H+]2CCN(C)C[C@@H]2C(C)C)c(O)cc1C ZINC000160279142 622943059 /nfs/dbraw/zinc/94/30/59/622943059.db2.gz HZZJASZBRDYKRO-OAHLLOKOSA-N 1 1 292.423 2.481 20 10 CECDMO COc1cc(CN2CC[N@H+](C)C[C@@H]2C(C)C)c(O)cc1C ZINC000160279142 622943061 /nfs/dbraw/zinc/94/30/61/622943061.db2.gz HZZJASZBRDYKRO-OAHLLOKOSA-N 1 1 292.423 2.481 20 10 CECDMO COc1cc(CN2CC[N@@H+](C)C[C@@H]2C(C)C)c(O)cc1C ZINC000160279142 622943065 /nfs/dbraw/zinc/94/30/65/622943065.db2.gz HZZJASZBRDYKRO-OAHLLOKOSA-N 1 1 292.423 2.481 20 10 CECDMO Oc1c(Br)cccc1C[NH2+]C1CSC1 ZINC000307640215 623264343 /nfs/dbraw/zinc/26/43/43/623264343.db2.gz FGVVJAJQBHAWLD-UHFFFAOYSA-N 1 1 274.183 2.360 20 10 CECDMO COC[C@@H]1CCCC[N@H+]1Cc1cccc(OC)c1O ZINC000307785871 623360589 /nfs/dbraw/zinc/36/05/89/623360589.db2.gz SCBWOGWTNKARAW-ZDUSSCGKSA-N 1 1 265.353 2.402 20 10 CECDMO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)CCN1C ZINC000090720997 623543476 /nfs/dbraw/zinc/54/34/76/623543476.db2.gz PCOSUZSMJNLATG-HIFRSBDPSA-N 1 1 261.413 2.325 20 10 CECDMO CC[C@H]1C[N@@H+](Cc2ccc(OC)c(OC)c2O)C[C@H](C)O1 ZINC000891806054 623984406 /nfs/dbraw/zinc/98/44/06/623984406.db2.gz VSTXHFZACINORZ-AAEUAGOBSA-N 1 1 295.379 2.409 20 10 CECDMO COc1ccc(C[N@H+]2CCSC[C@@H]2C)c(O)c1OC ZINC000892046714 624274009 /nfs/dbraw/zinc/27/40/09/624274009.db2.gz WRLAZUQCZBXITI-JTQLQIEISA-N 1 1 283.393 2.347 20 10 CECDMO CCOc1cccc(C[NH2+]Cc2cc(C)on2)c1O ZINC000044692280 624466175 /nfs/dbraw/zinc/46/61/75/624466175.db2.gz GCNWHWVXPYQENE-UHFFFAOYSA-N 1 1 262.309 2.377 20 10 CECDMO CC[NH+](CC)C[C@H](C)NCc1cccc(OC)c1O ZINC000045690684 624503007 /nfs/dbraw/zinc/50/30/07/624503007.db2.gz XPRURWQPPCPXRT-LBPRGKRZSA-N 1 1 266.385 2.221 20 10 CECDMO CCn1cnc(C[NH2+]Cc2ccc(N(C)C)cc2)c1 ZINC000902040829 634432670 /nfs/dbraw/zinc/43/26/70/634432670.db2.gz DYPZJNFRDUIHIG-UHFFFAOYSA-N 1 1 258.369 2.259 20 10 CECDMO COc1cccc(O)c1CNC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000725848914 625827874 /nfs/dbraw/zinc/82/78/74/625827874.db2.gz CRPCXGMQHIOVBM-ZDUSSCGKSA-N 1 1 278.396 2.221 20 10 CECDMO COc1cccc(O)c1CNC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000725848914 625827884 /nfs/dbraw/zinc/82/78/84/625827884.db2.gz CRPCXGMQHIOVBM-ZDUSSCGKSA-N 1 1 278.396 2.221 20 10 CECDMO CC[C@H]([NH2+][C@H](C)C(=O)NC(C)C)c1ccc(F)cc1O ZINC000840888809 627644883 /nfs/dbraw/zinc/64/48/83/627644883.db2.gz CRMWUTMKTYSXIX-MFKMUULPSA-N 1 1 282.359 2.485 20 10 CECDMO CC[NH+](CC)C[C@@H](C)NCc1ccc(OC)c(OC)c1O ZINC000892939679 627867363 /nfs/dbraw/zinc/86/73/63/627867363.db2.gz UQVYONOYUAJKCC-GFCCVEGCSA-N 1 1 296.411 2.229 20 10 CECDMO C[C@@H]([NH2+]Cc1cccc(Br)c1O)C(C)(C)O ZINC000309814589 627892008 /nfs/dbraw/zinc/89/20/08/627892008.db2.gz VAALDRBTRGLHPX-MRVPVSSYSA-N 1 1 288.185 2.404 20 10 CECDMO C[C@H]([NH2+]CC1(N)CC1)c1cc2c(cc1O)CCCC2 ZINC000902407831 634622108 /nfs/dbraw/zinc/62/21/08/634622108.db2.gz VQJZJHGWOHKFOI-NSHDSACASA-N 1 1 260.381 2.413 20 10 CECDMO C[C@H]([NH2+]C[C@H]1CCCN1C)c1ccc(F)cc1O ZINC000185141806 628224374 /nfs/dbraw/zinc/22/43/74/628224374.db2.gz SRCIRFXKYRXHLY-CMPLNLGQSA-N 1 1 252.333 2.276 20 10 CECDMO CCOC(=O)[C@H]1CC[N@@H+](Cc2cc(C)cc(C)c2O)C1 ZINC000902420492 634645645 /nfs/dbraw/zinc/64/56/45/634645645.db2.gz XLKXSMCGFSDJGX-ZDUSSCGKSA-N 1 1 277.364 2.394 20 10 CECDMO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H](C)[S@@](=O)CC1 ZINC000840941878 628781994 /nfs/dbraw/zinc/78/19/94/628781994.db2.gz OZVJILKUWFNFCW-XOBRGWDASA-N 1 1 294.464 2.404 20 10 CECDMO Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@H](C)[S@@](=O)CC1 ZINC000840941878 628781992 /nfs/dbraw/zinc/78/19/92/628781992.db2.gz OZVJILKUWFNFCW-XOBRGWDASA-N 1 1 294.464 2.404 20 10 CECDMO C[C@@H]([NH2+][C@@H]1CNCC2(CCOCC2)C1)c1ccccc1O ZINC000925800834 628848051 /nfs/dbraw/zinc/84/80/51/628848051.db2.gz YBGQMORWEXJOOS-KGLIPLIRSA-N 1 1 290.407 2.202 20 10 CECDMO Cc1cc(N(C)C)ccc1C[N@@H+]1CCO[C@@H](CF)C1 ZINC000840955708 628877176 /nfs/dbraw/zinc/87/71/76/628877176.db2.gz YJVXTIRDAHNGFP-HNNXBMFYSA-N 1 1 266.360 2.231 20 10 CECDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCO[C@@H](CF)C1 ZINC000840955708 628877178 /nfs/dbraw/zinc/87/71/78/628877178.db2.gz YJVXTIRDAHNGFP-HNNXBMFYSA-N 1 1 266.360 2.231 20 10 CECDMO CCN(C)c1ccc(C[N@H+]2CC[C@@H](C3OCCO3)C2)cc1 ZINC000932002291 628946958 /nfs/dbraw/zinc/94/69/58/628946958.db2.gz VZPAWVDYISVHBD-OAHLLOKOSA-N 1 1 290.407 2.338 20 10 CECDMO NC(=O)CC[C@H]1CCC[N@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000893980464 629071868 /nfs/dbraw/zinc/07/18/68/629071868.db2.gz MCBZCPSJEQCMMB-SNVBAGLBSA-N 1 1 298.333 2.148 20 10 CECDMO NC(=O)CC[C@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000893980464 629071872 /nfs/dbraw/zinc/07/18/72/629071872.db2.gz MCBZCPSJEQCMMB-SNVBAGLBSA-N 1 1 298.333 2.148 20 10 CECDMO Cc1cc(C)c(O)c(C[N@H+]2CC[C@@H](CN(C)C)C2)c1 ZINC000178892823 629236274 /nfs/dbraw/zinc/23/62/74/629236274.db2.gz LGQDJMKGMSOHIC-AWEZNQCLSA-N 1 1 262.397 2.393 20 10 CECDMO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@@H](CN(C)C)C2)c1 ZINC000178892823 629236276 /nfs/dbraw/zinc/23/62/76/629236276.db2.gz LGQDJMKGMSOHIC-AWEZNQCLSA-N 1 1 262.397 2.393 20 10 CECDMO CC[C@H]1[C@H](CO)CC[N@H+]1Cc1cc(C)cc(OC)c1O ZINC000894881359 629715193 /nfs/dbraw/zinc/71/51/93/629715193.db2.gz OPJQKFYAMPCUFL-JSGCOSHPSA-N 1 1 279.380 2.302 20 10 CECDMO COc1cc(C)cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1O ZINC000894911671 629750549 /nfs/dbraw/zinc/75/05/49/629750549.db2.gz JIZAUKSTJCAURF-GOOCMWNKSA-N 1 1 290.407 2.424 20 10 CECDMO COc1cc(C)cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)c1O ZINC000894911671 629750550 /nfs/dbraw/zinc/75/05/50/629750550.db2.gz JIZAUKSTJCAURF-GOOCMWNKSA-N 1 1 290.407 2.424 20 10 CECDMO CC[C@H]([NH2+][C@H]1CCCN(C)C1=O)c1ccc(F)cc1O ZINC000796790600 630007500 /nfs/dbraw/zinc/00/75/00/630007500.db2.gz SJRPIJGMEPBHTP-STQMWFEESA-N 1 1 280.343 2.193 20 10 CECDMO CC[C@H]([NH2+]C[C@]1(CCO)CCOC1)c1ccc(F)cc1O ZINC000796797095 630009934 /nfs/dbraw/zinc/00/99/34/630009934.db2.gz KALRQUVITONNPU-HOCLYGCPSA-N 1 1 297.370 2.361 20 10 CECDMO CC[C@H]([NH2+][C@H](C)[C@H]1CN(C)CCO1)c1ccc(F)cc1O ZINC000796839541 630031327 /nfs/dbraw/zinc/03/13/27/630031327.db2.gz QUSSHLYYCVIQMO-DIOULYMOSA-N 1 1 296.386 2.291 20 10 CECDMO CC[C@H]([NH2+][C@H]1CCC[C@H]1C(=O)NC)c1ccc(F)cc1O ZINC000796853066 630039966 /nfs/dbraw/zinc/03/99/66/630039966.db2.gz KKKSNRBGRFQCIS-RDBSUJKOSA-N 1 1 294.370 2.487 20 10 CECDMO Cc1cc(Br)c(O)c(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)c1 ZINC000895654509 630290222 /nfs/dbraw/zinc/29/02/22/630290222.db2.gz SCVFTVCRCHUXOR-ZWNOBZJWSA-N 1 1 298.180 2.030 20 10 CECDMO Cc1cc(Br)c(O)c(C[N@H+]2C[C@H]3C[C@@]3(O)C2)c1 ZINC000895654509 630290227 /nfs/dbraw/zinc/29/02/27/630290227.db2.gz SCVFTVCRCHUXOR-ZWNOBZJWSA-N 1 1 298.180 2.030 20 10 CECDMO Cc1cc(N(C)C)ccc1C[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000895780387 630349055 /nfs/dbraw/zinc/34/90/55/630349055.db2.gz JIRIFNJHDQSVIV-UAGQMJEPSA-N 1 1 274.408 2.264 20 10 CECDMO COc1cccc(C[N@H+]2C[C@@H]3CSC[C@@H]3C2)c1O ZINC000895780511 630349136 /nfs/dbraw/zinc/34/91/36/630349136.db2.gz LBLAHKASHAVRQK-TXEJJXNPSA-N 1 1 265.378 2.196 20 10 CECDMO OC[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2O)C1 ZINC000895845851 630363302 /nfs/dbraw/zinc/36/33/02/630363302.db2.gz PHIQCQUPDHJFNP-LBPRGKRZSA-N 1 1 275.270 2.139 20 10 CECDMO C[N@@H+](CCCF)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000895897607 630392042 /nfs/dbraw/zinc/39/20/42/630392042.db2.gz DENFKWPGNMRWSP-UHFFFAOYSA-N 1 1 284.350 2.454 20 10 CECDMO COc1cc(O)c(C[N@H+]2C[C@H](OC)CC[C@H]2C)cc1OC ZINC000895928768 630408028 /nfs/dbraw/zinc/40/80/28/630408028.db2.gz UZIRJXWAZLVCEM-DGCLKSJQSA-N 1 1 295.379 2.409 20 10 CECDMO COc1ccc(C[N@H+]2C[C@@H]3CSC[C@@H]3C2)c(O)c1OC ZINC000896045281 630445800 /nfs/dbraw/zinc/44/58/00/630445800.db2.gz GXRLVALMOXBHMA-TXEJJXNPSA-N 1 1 295.404 2.204 20 10 CECDMO C[C@@H](Cc1cnccn1)[NH2+]Cc1c(O)cccc1F ZINC000896638538 630621959 /nfs/dbraw/zinc/62/19/59/630621959.db2.gz RALAFSHDBGQVCK-JTQLQIEISA-N 1 1 261.300 2.042 20 10 CECDMO CC1=CCC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000797999841 630799672 /nfs/dbraw/zinc/79/96/72/630799672.db2.gz YABBKJHXSACBSO-UHFFFAOYSA-N 1 1 287.407 2.021 20 10 CECDMO CC[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)[C@H](C)O ZINC000824921317 635525372 /nfs/dbraw/zinc/52/53/72/635525372.db2.gz ITXDHTDWTPMCMQ-WRWORJQWSA-N 1 1 261.724 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/nfs/dbraw/zinc/83/13/65/631831365.db2.gz LUTBDSCFWRVJMZ-BETUJISGSA-N 1 1 278.396 2.234 20 10 CECDMO Cc1cc(O)c(C[N@@H+]2C[C@H](C)[C@H](O)C2)cc1Cl ZINC000897680655 631865291 /nfs/dbraw/zinc/86/52/91/631865291.db2.gz UTVIYQJQEWXDMK-TVQRCGJNSA-N 1 1 255.745 2.167 20 10 CECDMO C[C@@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)C[C@H]1O ZINC000897685590 631867922 /nfs/dbraw/zinc/86/79/22/631867922.db2.gz OPIFTRBYZGVTAF-RHSMWYFYSA-N 1 1 274.408 2.490 20 10 CECDMO Cc1cc(O)c(C[NH2+]Cc2cn(C)cn2)c(Cl)c1 ZINC000898043579 632035082 /nfs/dbraw/zinc/03/50/82/632035082.db2.gz UOGMIUFOVORYIV-UHFFFAOYSA-N 1 1 265.744 2.377 20 10 CECDMO CCOC1CC([N@@H+](C)Cc2cccc(OC)c2O)C1 ZINC000809774701 632144840 /nfs/dbraw/zinc/14/48/40/632144840.db2.gz XMJAZXXVUWYNDT-UHFFFAOYSA-N 1 1 265.353 2.400 20 10 CECDMO C[N@H+]1CCCC[C@H]1CCOC(=O)C1=CC(=O)CS1 ZINC000840228776 632358634 /nfs/dbraw/zinc/35/86/34/632358634.db2.gz SQXUFQQOYPXTRJ-JTQLQIEISA-N 1 1 269.366 2.485 20 10 CECDMO C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cc(Br)ccc1[O-] ZINC000841064678 632383592 /nfs/dbraw/zinc/38/35/92/632383592.db2.gz SMQIQUIHCXLWHV-SKDRFNHKSA-N 1 1 299.212 2.242 20 10 CECDMO COc1cccc(O)c1C[N@H+]1CC[C@@H](n2cc(C)cn2)C1 ZINC000811518133 632394781 /nfs/dbraw/zinc/39/47/81/632394781.db2.gz HNPHALSOLYVZGV-CYBMUJFWSA-N 1 1 287.363 2.353 20 10 CECDMO CC[C@H]([NH2+]CCO[C@H]1CCOC1)c1ccc(F)cc1O ZINC000927080137 632448027 /nfs/dbraw/zinc/44/80/27/632448027.db2.gz HIAKOXDSDKFPRE-JSGCOSHPSA-N 1 1 283.343 2.378 20 10 CECDMO Cc1cc(C[N@@H+](C)[C@@H]2CCCCNC2=O)ccc1N(C)C ZINC000815037578 632951661 /nfs/dbraw/zinc/95/16/61/632951661.db2.gz OZUWSGKICJILKN-MRXNPFEDSA-N 1 1 289.423 2.162 20 10 CECDMO Cc1cc(C[N@H+]2CCC[C@@H](CC(N)=O)C2)ccc1N(C)C ZINC000815055931 632952189 /nfs/dbraw/zinc/95/21/89/632952189.db2.gz UCWBVEAFDAVOKD-AWEZNQCLSA-N 1 1 289.423 2.148 20 10 CECDMO COc1cccc(C[N@H+]2CCO[C@@](C)(C3CC3)C2)c1O ZINC000826877338 635868743 /nfs/dbraw/zinc/86/87/43/635868743.db2.gz DXKQEHYCNDZRJG-MRXNPFEDSA-N 1 1 277.364 2.402 20 10 CECDMO OC[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)C1CC1 ZINC000816551851 633410811 /nfs/dbraw/zinc/41/08/11/633410811.db2.gz QQLQSMCNQXOKEW-LLVKDONJSA-N 1 1 259.708 2.045 20 10 CECDMO CC(C)[C@H](O)C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816550082 633411347 /nfs/dbraw/zinc/41/13/47/633411347.db2.gz HZNLQVOULUIEMU-GFCCVEGCSA-N 1 1 261.724 2.291 20 10 CECDMO C[C@@H]1C[C@@H](CO)C[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000817280913 633618101 /nfs/dbraw/zinc/61/81/01/633618101.db2.gz FEWJYFDGQFSARK-UKRRQHHQSA-N 1 1 262.397 2.203 20 10 CECDMO CCN(C)c1ccc(C[N@H+]2C[C@H](O)CC[C@H]2C)cc1 ZINC000817288469 633619985 /nfs/dbraw/zinc/61/99/85/633619985.db2.gz JJHJCLYEJBXXPM-CZUORRHYSA-N 1 1 262.397 2.488 20 10 CECDMO Cc1cc(N(C)C)ccc1C[N@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000817413491 633652201 /nfs/dbraw/zinc/65/22/01/633652201.db2.gz YEYDYRIECPRQMA-MRXNPFEDSA-N 1 1 292.423 2.033 20 10 CECDMO CCCN1C[C@H](C[NH2+][C@@H](C)c2ccc(F)cc2O)CC1=O ZINC000817589840 633702978 /nfs/dbraw/zinc/70/29/78/633702978.db2.gz QDWPVPMONBCJJX-RYUDHWBXSA-N 1 1 294.370 2.440 20 10 CECDMO C[C@H]([NH2+]CCC[NH3+])c1cc(Br)ccc1[O-] ZINC000817938500 633789218 /nfs/dbraw/zinc/78/92/18/633789218.db2.gz LSHJIGZJGXGYHT-QMMMGPOBSA-N 1 1 273.174 2.154 20 10 CECDMO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCNC2)c2c1c(F)ccc2O ZINC000817942163 633790104 /nfs/dbraw/zinc/79/01/04/633790104.db2.gz XMPJMWMKSLIYNG-FOGDFJRCSA-N 1 1 264.344 2.421 20 10 CECDMO C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1cc(F)ccc1[O-] ZINC000817946002 633792149 /nfs/dbraw/zinc/79/21/49/633792149.db2.gz PNWUHPNYMLVSKK-MNOVXSKESA-N 1 1 252.333 2.182 20 10 CECDMO C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1cc(F)cc(F)c1[O-] ZINC000817959583 633800682 /nfs/dbraw/zinc/80/06/82/633800682.db2.gz HGEKQLIMBABFBL-KRTXAFLBSA-N 1 1 256.296 2.058 20 10 CECDMO C[N@@H+](Cc1ccccc1O)[C@@H]1CCN(C(C)(C)C)C1=O ZINC000822739273 634984561 /nfs/dbraw/zinc/98/45/61/634984561.db2.gz CIOIZGBJYYLDLX-CYBMUJFWSA-N 1 1 276.380 2.223 20 10 CECDMO CC[C@@H]([NH2+][C@@H]1COCC[C@H]1OC)c1ccc(F)cc1O ZINC000903296571 635045056 /nfs/dbraw/zinc/04/50/56/635045056.db2.gz JLUFZHPHTQSJDY-UMVBOHGHSA-N 1 1 283.343 2.376 20 10 CECDMO CC[C@@H](CN1CCOCC1)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000903343190 635071241 /nfs/dbraw/zinc/07/12/41/635071241.db2.gz NJWUUJFMYNFWLJ-JSGCOSHPSA-N 1 1 296.386 2.293 20 10 CECDMO Cc1cccc(C[N@H+]2CCCC[C@@H]2CS(C)(=O)=O)c1O ZINC000824914315 635523983 /nfs/dbraw/zinc/52/39/83/635523983.db2.gz PEJWYBNYCOQCAD-CQSZACIVSA-N 1 1 297.420 2.100 20 10 CECDMO CC(C)(C)[C@@H](CN)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000904358324 635590299 /nfs/dbraw/zinc/59/02/99/635590299.db2.gz LFBSDQOFSGFXSN-OAHLLOKOSA-N 1 1 262.397 2.475 20 10 CECDMO C[C@H]1C[C@@H](O)C[N@@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000825316908 635613906 /nfs/dbraw/zinc/61/39/06/635613906.db2.gz YAJUIJIMOCYMFL-DTWKUNHWSA-N 1 1 273.735 2.387 20 10 CECDMO C[C@H]1C[C@@H](O)C[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000825316908 635613915 /nfs/dbraw/zinc/61/39/15/635613915.db2.gz YAJUIJIMOCYMFL-DTWKUNHWSA-N 1 1 273.735 2.387 20 10 CECDMO C[C@H]1C[N@H+](Cc2c([O-])cccc2Cl)CC[C@@H]1C[NH3+] ZINC000904410443 635616506 /nfs/dbraw/zinc/61/65/06/635616506.db2.gz DLRKRPJVPQUTQV-WDEREUQCSA-N 1 1 268.788 2.462 20 10 CECDMO C[C@H]1C[N@@H+](Cc2c([O-])cccc2Cl)CC[C@@H]1C[NH3+] ZINC000904410443 635616510 /nfs/dbraw/zinc/61/65/10/635616510.db2.gz DLRKRPJVPQUTQV-WDEREUQCSA-N 1 1 268.788 2.462 20 10 CECDMO CCOc1cccc(C[N@H+]2CC[C@@H](CCCO)C2)c1O ZINC000825338885 635619882 /nfs/dbraw/zinc/61/98/82/635619882.db2.gz WXLZVKJKIHBDKY-CYBMUJFWSA-N 1 1 279.380 2.385 20 10 CECDMO COc1ccc(O)c(CN(C)[C@@H]2CC[N@H+](C(C)C)C2)c1 ZINC000825338962 635620032 /nfs/dbraw/zinc/62/00/32/635620032.db2.gz XDBGBZBQMPSQIP-CQSZACIVSA-N 1 1 278.396 2.315 20 10 CECDMO COc1ccc(O)c(C[N@H+](C)[C@@H]2CCN(C(C)C)C2)c1 ZINC000825338962 635620036 /nfs/dbraw/zinc/62/00/36/635620036.db2.gz XDBGBZBQMPSQIP-CQSZACIVSA-N 1 1 278.396 2.315 20 10 CECDMO COc1ccc(O)c(C[N@@H+](C)[C@@H]2CCN(C(C)C)C2)c1 ZINC000825338962 635620039 /nfs/dbraw/zinc/62/00/39/635620039.db2.gz XDBGBZBQMPSQIP-CQSZACIVSA-N 1 1 278.396 2.315 20 10 CECDMO COc1cccc(O)c1CN[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000904461635 635634444 /nfs/dbraw/zinc/63/44/44/635634444.db2.gz KZRQRIUXCPCMBA-RHSMWYFYSA-N 1 1 284.359 2.115 20 10 CECDMO CO[C@]1(CO)CCC[N@@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000826952050 636170144 /nfs/dbraw/zinc/17/01/44/636170144.db2.gz FNNRKXFUQRKJNP-OAHLLOKOSA-N 1 1 299.798 2.327 20 10 CECDMO O=C1CC[C@H]2C[N@@H+](Cc3c(O)cccc3Cl)CC[C@@H]2N1 ZINC000827133906 636229689 /nfs/dbraw/zinc/22/96/89/636229689.db2.gz XUHDXGXXWROJPD-GWCFXTLKSA-N 1 1 294.782 2.146 20 10 CECDMO OCCOCC[N@@H+](Cc1cc(Cl)ccc1O)C1CCC1 ZINC000827210901 636257627 /nfs/dbraw/zinc/25/76/27/636257627.db2.gz SVSDSNJWVJKHMI-UHFFFAOYSA-N 1 1 299.798 2.409 20 10 CECDMO CCOc1ccc(C[N@H+]2C[C@@H]3COC[C@@]3(C)C2)c(O)c1 ZINC000827284302 636280293 /nfs/dbraw/zinc/28/02/93/636280293.db2.gz UPENTPDTLGREIL-CZUORRHYSA-N 1 1 277.364 2.259 20 10 CECDMO CCN(CC)c1ccc(C[N@@H+](C)CC[S@](C)=O)cc1 ZINC000827336583 636297902 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Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H](C)c1ccccc1O)CC2 ZINC000827963803 636472454 /nfs/dbraw/zinc/47/24/54/636472454.db2.gz AUXFTZUGNQXXFG-WCQYABFASA-N 1 1 299.374 2.337 20 10 CECDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C2=CC(=O)CS2)C1 ZINC000830576306 637104028 /nfs/dbraw/zinc/10/40/28/637104028.db2.gz FNFRTROAAUSVRR-JQWIXIFHSA-N 1 1 280.393 2.010 20 10 CECDMO C[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)C1CC1 ZINC000876579875 650343492 /nfs/dbraw/zinc/34/34/92/650343492.db2.gz ARBUEDPAODPNHC-UHFFFAOYSA-N 1 1 260.381 2.242 20 10 CECDMO CCCC[N@@H+](C/C=C/c1ccc(N(C)C)cc1)CC(N)=O ZINC000835026441 638029597 /nfs/dbraw/zinc/02/95/97/638029597.db2.gz WGFVNSUMVQECHM-VOTSOKGWSA-N 1 1 289.423 2.353 20 10 CECDMO C[C@@H]1CC[N@@H+](C/C=C/c2ccc(N(C)C)cc2)[C@@H]1CO ZINC000835046029 638036654 /nfs/dbraw/zinc/03/66/54/638036654.db2.gz QIBGPDRSTPWOIH-XUOJHOASSA-N 1 1 274.408 2.469 20 10 CECDMO C[C@H]([NH2+]C/C=C\c1ccc(N(C)C)cc1)c1ncnn1C ZINC000835051391 638039768 /nfs/dbraw/zinc/03/97/68/638039768.db2.gz 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GTMHDWXQRFVRPP-MRXNPFEDSA-N 1 1 262.397 2.408 20 10 CECDMO Cc1cc(N(C)C)ccc1C[N@H+](C)[C@H](C)C[S@@](C)=O ZINC000840940079 639594177 /nfs/dbraw/zinc/59/41/77/639594177.db2.gz VEMLYRNYDOYCSN-BFUOFWGJSA-N 1 1 282.453 2.260 20 10 CECDMO [O-]c1cccc(Cl)c1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000841036340 639627628 /nfs/dbraw/zinc/62/76/28/639627628.db2.gz LNTHPJQLUUZPAP-SNVBAGLBSA-N 1 1 254.761 2.135 20 10 CECDMO CN(C)c1ccc([C@H](N)C[NH2+]Cc2cccc(O)c2)cc1 ZINC000841044628 639631299 /nfs/dbraw/zinc/63/12/99/639631299.db2.gz XBDIDGMPJYJQPD-QGZVFWFLSA-N 1 1 285.391 2.248 20 10 CECDMO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CNCC[C@@H]1C ZINC000841059731 639636303 /nfs/dbraw/zinc/63/63/03/639636303.db2.gz WIWRZHAOFBMBNS-BLLLJJGKSA-N 1 1 261.413 2.149 20 10 CECDMO C[C@@H]1[NH2+]CCC[C@@H]1NCc1c(O)ccc(Cl)c1F ZINC000841064572 639639545 /nfs/dbraw/zinc/63/95/45/639639545.db2.gz YTMKFNHHYSBEFR-KWQFWETISA-N 1 1 272.751 2.415 20 10 CECDMO [NH3+]CC[C@@H](NCc1cccc(Cl)c1O)C(F)F ZINC000841072898 639643572 /nfs/dbraw/zinc/64/35/72/639643572.db2.gz CHVIBKFYCOOXMT-SECBINFHSA-N 1 1 264.703 2.118 20 10 CECDMO c1cc(CN[C@H]2CC[NH2+]C3(CCC3)C2)cc2c1OCC2 ZINC000841089452 639653204 /nfs/dbraw/zinc/65/32/04/639653204.db2.gz NJDUYDYMLKFWQA-HNNXBMFYSA-N 1 1 272.392 2.386 20 10 CECDMO O=[N+]([O-])c1cc(Cl)cc(C[NH2+][C@@H]2CCCC[NH2+]C2)c1[O-] ZINC000841091130 639653821 /nfs/dbraw/zinc/65/38/21/639653821.db2.gz URVDAHRREGEGKA-LLVKDONJSA-N 1 1 299.758 2.186 20 10 CECDMO C[NH2+]CCCN(C)Cc1c(O)ccc(Cl)c1F ZINC000841104082 639678580 /nfs/dbraw/zinc/67/85/80/639678580.db2.gz NFFJWPWTVMQFNH-UHFFFAOYSA-N 1 1 260.740 2.226 20 10 CECDMO CC(C)[N@H+]1CCCN(C(=O)Nc2ccc(N)cc2)CC1 ZINC000841301518 639732886 /nfs/dbraw/zinc/73/28/86/639732886.db2.gz SCHLGPDVGFJUPF-UHFFFAOYSA-N 1 1 276.384 2.217 20 10 CECDMO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2ccccc2O)s1 ZINC000314581410 640234503 /nfs/dbraw/zinc/23/45/03/640234503.db2.gz AITYGQFRKYDPMH-SECBINFHSA-N 1 1 292.360 2.486 20 10 CECDMO C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000843052788 640255831 /nfs/dbraw/zinc/25/58/31/640255831.db2.gz WEOIMXPFCYTYMB-WDEREUQCSA-N 1 1 252.333 2.091 20 10 CECDMO Cc1cc(N(C)C)ccc1C[N@H+]1C[C@H]2CCC[C@@H](C1)N2 ZINC000843107544 640283598 /nfs/dbraw/zinc/28/35/98/640283598.db2.gz RLULQGHIXKFUTP-IYBDPMFKSA-N 1 1 273.424 2.387 20 10 CECDMO Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@H]2CCC[C@@H](C1)N2 ZINC000843107544 640283601 /nfs/dbraw/zinc/28/36/01/640283601.db2.gz RLULQGHIXKFUTP-IYBDPMFKSA-N 1 1 273.424 2.387 20 10 CECDMO C[C@@]1(C[NH3+])CC[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000843117269 640287484 /nfs/dbraw/zinc/28/74/84/640287484.db2.gz OARRMJAGJLOHDH-ZDUSSCGKSA-N 1 1 299.758 2.125 20 10 CECDMO C[C@@]1(C[NH3+])CC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000843117269 640287489 /nfs/dbraw/zinc/28/74/89/640287489.db2.gz OARRMJAGJLOHDH-ZDUSSCGKSA-N 1 1 299.758 2.125 20 10 CECDMO Oc1ccc(Cl)c(F)c1CN1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000843126604 640293633 /nfs/dbraw/zinc/29/36/33/640293633.db2.gz LPYVMLNABLLSQC-BXKDBHETSA-N 1 1 284.762 2.369 20 10 CECDMO COc1cccc(C[N@H+]2CCOC[C@@H]2C2CCC2)c1O ZINC000843429426 640427777 /nfs/dbraw/zinc/42/77/77/640427777.db2.gz VIYSUMQDVSWCJE-CQSZACIVSA-N 1 1 277.364 2.402 20 10 CECDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Cc2ccc(N)cc2)C[C@H]1C ZINC000844184972 640625260 /nfs/dbraw/zinc/62/52/60/640625260.db2.gz BAFKKNMDHLRLBX-CZUORRHYSA-N 1 1 289.423 2.143 20 10 CECDMO COc1ccc(N(C)CC[N@@H+](C)CCC(=O)C2CC2)cc1 ZINC000844400652 640708104 /nfs/dbraw/zinc/70/81/04/640708104.db2.gz FIZXHELMHWCHBO-UHFFFAOYSA-N 1 1 290.407 2.432 20 10 CECDMO COc1cccc(C[N@H+](C)CCN2CCCCC2)c1O ZINC000846113840 641188355 /nfs/dbraw/zinc/18/83/55/641188355.db2.gz APFGIDNIQWSSJZ-UHFFFAOYSA-N 1 1 278.396 2.319 20 10 CECDMO COc1cccc(C[N@@H+](C)CCN2CCCCC2)c1O ZINC000846113840 641188359 /nfs/dbraw/zinc/18/83/59/641188359.db2.gz APFGIDNIQWSSJZ-UHFFFAOYSA-N 1 1 278.396 2.319 20 10 CECDMO F[C@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000846122188 641194148 /nfs/dbraw/zinc/19/41/48/641194148.db2.gz KFWVQJKQYMOQBV-HNNXBMFYSA-N 1 1 278.371 2.457 20 10 CECDMO CCN1C[C@@H](C[NH2+][C@H](C)c2ccc(F)cc2O)CC1=O ZINC000846210275 641224332 /nfs/dbraw/zinc/22/43/32/641224332.db2.gz WWTBNRJMXCQUTA-GHMZBOCLSA-N 1 1 280.343 2.050 20 10 CECDMO C[C@H]1C[C@@H]([NH3+])CCN1Cc1cccc(Br)c1O ZINC000846698337 641400232 /nfs/dbraw/zinc/40/02/32/641400232.db2.gz FULPRVFFAUMJLL-ONGXEEELSA-N 1 1 299.212 2.466 20 10 CECDMO CCOc1ccc(O)c(CN2CC[C@@H]([NH3+])C[C@@H]2C)c1 ZINC000846698519 641400553 /nfs/dbraw/zinc/40/05/53/641400553.db2.gz IHEOOZHPALTUAG-WCQYABFASA-N 1 1 264.369 2.103 20 10 CECDMO COCC[N@@H+]1[C@H](C)CN(Cc2cc(F)ccc2O)C[C@@H]1C ZINC000180168407 641422526 /nfs/dbraw/zinc/42/25/26/641422526.db2.gz WGJKMNBNNLIAAX-BETUJISGSA-N 1 1 296.386 2.072 20 10 CECDMO COCCN1[C@H](C)C[N@@H+](Cc2cc(F)ccc2O)C[C@@H]1C ZINC000180168407 641422530 /nfs/dbraw/zinc/42/25/30/641422530.db2.gz WGJKMNBNNLIAAX-BETUJISGSA-N 1 1 296.386 2.072 20 10 CECDMO COCCN1[C@H](C)C[N@H+](Cc2cc(F)ccc2O)C[C@@H]1C ZINC000180168407 641422537 /nfs/dbraw/zinc/42/25/37/641422537.db2.gz WGJKMNBNNLIAAX-BETUJISGSA-N 1 1 296.386 2.072 20 10 CECDMO CC(C)[C@H]1CN(C)CC[N@H+]1Cc1cc(F)ccc1O ZINC000184740078 641898503 /nfs/dbraw/zinc/89/85/03/641898503.db2.gz BXJLZGRUOWPOND-CQSZACIVSA-N 1 1 266.360 2.303 20 10 CECDMO CC(C)[C@H]1C[N@H+](C)CCN1Cc1cc(F)ccc1O ZINC000184740078 641898505 /nfs/dbraw/zinc/89/85/05/641898505.db2.gz BXJLZGRUOWPOND-CQSZACIVSA-N 1 1 266.360 2.303 20 10 CECDMO CC(C)[C@H]1C[N@@H+](C)CCN1Cc1cc(F)ccc1O ZINC000184740078 641898512 /nfs/dbraw/zinc/89/85/12/641898512.db2.gz BXJLZGRUOWPOND-CQSZACIVSA-N 1 1 266.360 2.303 20 10 CECDMO COC(=O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1ccc(C)cc1O ZINC000877415979 650713498 /nfs/dbraw/zinc/71/34/98/650713498.db2.gz FNZYRKQRPCDCCQ-OCCSQVGLSA-N 1 1 277.364 2.474 20 10 CECDMO COCCN1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000185329612 641964996 /nfs/dbraw/zinc/96/49/96/641964996.db2.gz JBGFPKGRTNXABS-JSGCOSHPSA-N 1 1 296.386 2.293 20 10 CECDMO Cc1cccc(O)c1C[N@H+]1CCO[C@@H](COC(C)C)C1 ZINC000877404089 650708595 /nfs/dbraw/zinc/70/85/95/650708595.db2.gz YFGVUPBIXWHGNT-CQSZACIVSA-N 1 1 279.380 2.326 20 10 CECDMO CCc1cccc(C[N@@H+]2CCN(C)C[C@@H]2CC)c1O ZINC000848914832 642188799 /nfs/dbraw/zinc/18/87/99/642188799.db2.gz TWZRIJRKVPIDAE-HNNXBMFYSA-N 1 1 262.397 2.481 20 10 CECDMO CCc1cccc(C[N@H+]2CCC[C@H]3CN(C)C[C@H]32)c1O ZINC000848918256 642192436 /nfs/dbraw/zinc/19/24/36/642192436.db2.gz UIPUNBRAQXWRHF-GOEBONIOSA-N 1 1 274.408 2.481 20 10 CECDMO CCc1cccc(CN2CCC[C@H]3C[N@H+](C)C[C@H]32)c1O ZINC000848918256 642192441 /nfs/dbraw/zinc/19/24/41/642192441.db2.gz UIPUNBRAQXWRHF-GOEBONIOSA-N 1 1 274.408 2.481 20 10 CECDMO CCc1cccc(CN2CCC[C@H]3C[N@@H+](C)C[C@H]32)c1O ZINC000848918256 642192448 /nfs/dbraw/zinc/19/24/48/642192448.db2.gz UIPUNBRAQXWRHF-GOEBONIOSA-N 1 1 274.408 2.481 20 10 CECDMO Cc1ccc(C[NH2+]CCCN2CCCO[C@H](C)C2)c(O)c1 ZINC000877477405 650739373 /nfs/dbraw/zinc/73/93/73/650739373.db2.gz CRURUEKZJURCSP-OAHLLOKOSA-N 1 1 292.423 2.291 20 10 CECDMO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)n3ncnc32)cc1C ZINC000850352232 642677981 /nfs/dbraw/zinc/67/79/81/642677981.db2.gz PISUGQBTZLNENK-DGCLKSJQSA-N 1 1 272.352 2.391 20 10 CECDMO CC[C@H]([NH2+]CCN(C)OC)c1ccc(F)cc1O ZINC000850477979 642724757 /nfs/dbraw/zinc/72/47/57/642724757.db2.gz MEGCBNSYQRJTSQ-LBPRGKRZSA-N 1 1 256.321 2.065 20 10 CECDMO COc1cccc(O)c1C[NH2+]Cc1cc(N(C)C)ccn1 ZINC000922477521 643088740 /nfs/dbraw/zinc/08/87/40/643088740.db2.gz AKZUIFNYDRFXMF-UHFFFAOYSA-N 1 1 287.363 2.152 20 10 CECDMO Cc1ccc(C[N@H+]2CCC[C@](O)(C3CC3)C2)c(O)c1 ZINC000877629577 650822181 /nfs/dbraw/zinc/82/21/81/650822181.db2.gz VYYSQCRUTAZZFE-MRXNPFEDSA-N 1 1 261.365 2.438 20 10 CECDMO COc1cc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)on1 ZINC000877635082 650825763 /nfs/dbraw/zinc/82/57/63/650825763.db2.gz BRSJAQARHGHNCR-UHFFFAOYSA-N 1 1 279.315 2.178 20 10 CECDMO CCN(C)c1ccc(C[N@H+]2CCC[C@@](CO)(OC)C2)cc1 ZINC000852412615 643418318 /nfs/dbraw/zinc/41/83/18/643418318.db2.gz WZMZWCYWKOGROM-QGZVFWFLSA-N 1 1 292.423 2.116 20 10 CECDMO CN(C)c1ccc(C[NH2+]Cc2noc3c2COCC3)cc1 ZINC000923014579 643512862 /nfs/dbraw/zinc/51/28/62/643512862.db2.gz DUXZMKYLPVVOKA-UHFFFAOYSA-N 1 1 287.363 2.103 20 10 CECDMO Cc1nn(C)c(C)c1C[N@H+]1Cc2cccc(O)c2C1 ZINC000877703303 650860987 /nfs/dbraw/zinc/86/09/87/650860987.db2.gz AKZOGFITHFXDOP-UHFFFAOYSA-N 1 1 257.337 2.258 20 10 CECDMO CN(C)c1ccc(C[N@@H+](C)[C@@H]2CN3CCC2CC3)cc1 ZINC000877706008 650861671 /nfs/dbraw/zinc/86/16/71/650861671.db2.gz DEVSXAOHUIDPRC-QGZVFWFLSA-N 1 1 273.424 2.279 20 10 CECDMO CN(C)c1ccc(CN(C)[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC000877706008 650861674 /nfs/dbraw/zinc/86/16/74/650861674.db2.gz DEVSXAOHUIDPRC-QGZVFWFLSA-N 1 1 273.424 2.279 20 10 CECDMO Cn1cc(CCC[N@@H+](C)Cc2ccccc2O)cn1 ZINC000111236362 643733571 /nfs/dbraw/zinc/73/35/71/643733571.db2.gz SXSGVZFQCWDOLY-UHFFFAOYSA-N 1 1 259.353 2.190 20 10 CECDMO CCOc1ccc(CN2CC[C@H]3[C@H](CC[N@H+]3C)C2)c(O)c1 ZINC000877744385 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COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)CC(C)C)c1 ZINC000756496336 644655285 /nfs/dbraw/zinc/65/52/85/644655285.db2.gz GOKCJXPXMMQYRB-DGCLKSJQSA-N 1 1 295.379 2.236 20 10 CECDMO C[C@H]([NH2+][C@@H](CO)CC1CC1)c1ccc(F)cc1O ZINC000756769379 644690420 /nfs/dbraw/zinc/69/04/20/644690420.db2.gz LAZFFTRQHJMEDM-JOYOIKCWSA-N 1 1 253.317 2.343 20 10 CECDMO CCN(C)c1ccc(C[N@H+]2CC[C@@H](C(=O)N(C)C)C2)cc1 ZINC000839635346 644761270 /nfs/dbraw/zinc/76/12/70/644761270.db2.gz HISQOGRCGMZUEX-OAHLLOKOSA-N 1 1 289.423 2.053 20 10 CECDMO C[C@H]1[NH2+]CCN(Cc2cccc(Cl)c2O)[C@@H]1C ZINC000843058252 644783481 /nfs/dbraw/zinc/78/34/81/644783481.db2.gz QKGHBANQQHJBJI-NXEZZACHSA-N 1 1 254.761 2.228 20 10 CECDMO C[C@H](C[S@](C)=O)[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000757654494 644830930 /nfs/dbraw/zinc/83/09/30/644830930.db2.gz ASJRBSFPSUVQLQ-MPSDLYAZSA-N 1 1 277.336 2.088 20 10 CECDMO Cc1cc(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)[nH]n1 ZINC000858141092 645072692 /nfs/dbraw/zinc/07/26/92/645072692.db2.gz 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RUVANYNPRPFZBH-MRXNPFEDSA-N 1 1 293.363 2.094 20 10 CECDMO CC[C@H]1COCC[N@@H+]1Cc1cc(OC)c(OC)cc1O ZINC000160232724 622580340 /nfs/dbraw/zinc/58/03/40/622580340.db2.gz VCKQKQKVFCEYOA-LBPRGKRZSA-N 1 1 281.352 2.020 20 10 CECDMO CC[C@H]1COCC[N@H+]1Cc1cc(OC)c(OC)cc1O ZINC000160232724 622580347 /nfs/dbraw/zinc/58/03/47/622580347.db2.gz VCKQKQKVFCEYOA-LBPRGKRZSA-N 1 1 281.352 2.020 20 10 CECDMO COC[C@H]1CCCC[N@H+]1Cc1cccc(OC)c1O ZINC000307785867 623464267 /nfs/dbraw/zinc/46/42/67/623464267.db2.gz SCBWOGWTNKARAW-CYBMUJFWSA-N 1 1 265.353 2.402 20 10 CECDMO Cn1nc2c(c1C[N@@H+](C)Cc1ccccc1O)CCC2 ZINC000891714130 623921350 /nfs/dbraw/zinc/92/13/50/623921350.db2.gz SRCXSIQLEWVITB-UHFFFAOYSA-N 1 1 271.364 2.246 20 10 CECDMO Cc1cc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)on1 ZINC000044986166 624484643 /nfs/dbraw/zinc/48/46/43/624484643.db2.gz IMYXARREIJKEBT-UHFFFAOYSA-N 1 1 287.363 2.109 20 10 CECDMO COC(=O)[C@@H]1C[N@@H+](Cc2c(O)cccc2Cl)C[C@H]1C ZINC000280182287 625253988 /nfs/dbraw/zinc/25/39/88/625253988.db2.gz GWFBQVPRFULZNB-NXEZZACHSA-N 1 1 283.755 2.287 20 10 CECDMO COc1cccc(C[NH2+]C2CCN(CC3CC3)CC2)c1O ZINC000725846364 625763179 /nfs/dbraw/zinc/76/31/79/625763179.db2.gz AMKWFQHKWKTECU-UHFFFAOYSA-N 1 1 290.407 2.365 20 10 CECDMO COc1cccc(CNC2CC[NH+](CC3CC3)CC2)c1O ZINC000725846364 625763184 /nfs/dbraw/zinc/76/31/84/625763184.db2.gz AMKWFQHKWKTECU-UHFFFAOYSA-N 1 1 290.407 2.365 20 10 CECDMO CC(=O)N[C@H]1CC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000228356725 628165876 /nfs/dbraw/zinc/16/58/76/628165876.db2.gz QNOVSXVZGFDKBT-AWEZNQCLSA-N 1 1 284.359 2.256 20 10 CECDMO Cc1cc(N(C)C)ccc1C[N@@H+]1CCO[C@H](CF)C1 ZINC000840955713 628876695 /nfs/dbraw/zinc/87/66/95/628876695.db2.gz YJVXTIRDAHNGFP-OAHLLOKOSA-N 1 1 266.360 2.231 20 10 CECDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCO[C@H](CF)C1 ZINC000840955713 628876699 /nfs/dbraw/zinc/87/66/99/628876699.db2.gz YJVXTIRDAHNGFP-OAHLLOKOSA-N 1 1 266.360 2.231 20 10 CECDMO C[C@H]([NH2+]Cc1csc(N)n1)c1ccc(F)cc1O ZINC000902498682 634692309 /nfs/dbraw/zinc/69/23/09/634692309.db2.gz IJZDMNMKOASHGI-ZETCQYMHSA-N 1 1 267.329 2.421 20 10 CECDMO COc1cc(C)cc(C[N@H+]2CCC[C@@H](CCO)C2)c1O ZINC000894004706 629083143 /nfs/dbraw/zinc/08/31/43/629083143.db2.gz XKKRCSDTQGWNFL-ZDUSSCGKSA-N 1 1 279.380 2.304 20 10 CECDMO CCN(CC)c1ccc(C[N@H+]2C[C@H](CO)O[C@@H](C)C2)cc1 ZINC000248955893 629146690 /nfs/dbraw/zinc/14/66/90/629146690.db2.gz FVYXWBZSXCELKF-WMLDXEAASA-N 1 1 292.423 2.114 20 10 CECDMO CCN(CC)c1ccc(C[N@@H+]2C[C@H](CO)O[C@@H](C)C2)cc1 ZINC000248955893 629146692 /nfs/dbraw/zinc/14/66/92/629146692.db2.gz FVYXWBZSXCELKF-WMLDXEAASA-N 1 1 292.423 2.114 20 10 CECDMO CO[C@@H]1CC[C@@H]1[N@@H+](C)Cc1cc2c(cc1O)CCC2 ZINC000902636934 634757180 /nfs/dbraw/zinc/75/71/80/634757180.db2.gz HIRYNRSRONMCKT-GOEBONIOSA-N 1 1 261.365 2.490 20 10 CECDMO Oc1c(F)cc(F)cc1C[N@H+]1CCC[C@@H](O)CC1 ZINC000894866131 629703382 /nfs/dbraw/zinc/70/33/82/629703382.db2.gz IOZSDSSNYUGAJJ-LLVKDONJSA-N 1 1 257.280 2.017 20 10 CECDMO 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ZINC000806179991 631724623 /nfs/dbraw/zinc/72/46/23/631724623.db2.gz YPORMSPPVGHGCQ-WCQYABFASA-N 1 1 290.338 2.353 20 10 CECDMO C[C@H]([NH2+]C[C@@]1(CCO)CCOC1)c1ccc(Cl)cc1O ZINC000841757948 631799392 /nfs/dbraw/zinc/79/93/92/631799392.db2.gz JDETUTGLBPXBNZ-XHDPSFHLSA-N 1 1 299.798 2.485 20 10 CECDMO Cc1cc(C)c(O)c(C[N@H+]2CC[C@@](O)(C(F)F)C2)c1 ZINC000840120082 631876386 /nfs/dbraw/zinc/87/63/86/631876386.db2.gz VIQOIVPLLRRNNW-AWEZNQCLSA-N 1 1 271.307 2.211 20 10 CECDMO COc1c(O)c(C[NH2+][C@H]2CSC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000809703796 632130152 /nfs/dbraw/zinc/13/01/52/632130152.db2.gz UFKGBBYKANAWSB-WPRPVWTQSA-N 1 1 298.364 2.150 20 10 CECDMO COC(=O)c1occc1C[NH2+]Cc1cccc(OC)c1O ZINC000809739241 632135362 /nfs/dbraw/zinc/13/53/62/632135362.db2.gz BYFLAJHXLNHILK-UHFFFAOYSA-N 1 1 291.303 2.070 20 10 CECDMO CN(C)c1ccc(C[N@H+](C)C[C@@H](O)C(F)(F)F)cc1F ZINC000809751595 632140508 /nfs/dbraw/zinc/14/05/08/632140508.db2.gz SWMFGMXYNWFMRL-GFCCVEGCSA-N 1 1 294.292 2.247 20 10 CECDMO CN(C)c1ccc(C[N@@H+](C)C[C@@H](O)C(F)(F)F)cc1F ZINC000809751595 632140511 /nfs/dbraw/zinc/14/05/11/632140511.db2.gz SWMFGMXYNWFMRL-GFCCVEGCSA-N 1 1 294.292 2.247 20 10 CECDMO Cc1cc(O)c(C[N@H+](C)[C@@H](CO)COC(C)C)cc1C ZINC000809768334 632143885 /nfs/dbraw/zinc/14/38/85/632143885.db2.gz IFTPHYDDRXCFQP-HNNXBMFYSA-N 1 1 281.396 2.227 20 10 CECDMO CC(C)(C)[N@H+]1CC[C@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC000899173301 632728144 /nfs/dbraw/zinc/72/81/44/632728144.db2.gz LZQVVFMFQZTKPN-ZDUSSCGKSA-N 1 1 274.364 2.107 20 10 CECDMO COC[C@H]1C[N@@H+](Cc2ccc3ccccc3c2O)CCO1 ZINC000816513196 633403956 /nfs/dbraw/zinc/40/39/56/633403956.db2.gz JMLBPGGUWXMUPL-OAHLLOKOSA-N 1 1 287.359 2.393 20 10 CECDMO C[C@H]1C[N@H+](Cc2ccc3ccccc3c2O)CC(=O)N1C ZINC000816600232 633420707 /nfs/dbraw/zinc/42/07/07/633420707.db2.gz PQQOMWCDTOPFDR-LBPRGKRZSA-N 1 1 284.359 2.208 20 10 CECDMO C[C@H]1C[N@@H+](Cc2ccc3ccccc3c2O)CC(=O)N1C ZINC000816600232 633420711 /nfs/dbraw/zinc/42/07/11/633420711.db2.gz PQQOMWCDTOPFDR-LBPRGKRZSA-N 1 1 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CC[C@H]([NH2+][C@H](C)CC(=O)NC)c1ccc(F)cc1O ZINC000834901414 637982392 /nfs/dbraw/zinc/98/23/92/637982392.db2.gz UTKCCROPHCWPSK-SKDRFNHKSA-N 1 1 268.332 2.097 20 10 CECDMO CC(C)NC(=O)C[N@H+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835025070 638028950 /nfs/dbraw/zinc/02/89/50/638028950.db2.gz GFHKRJXZIXKGBR-VOTSOKGWSA-N 1 1 289.423 2.222 20 10 CECDMO CC(C)NC(=O)C[N@@H+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835025070 638028961 /nfs/dbraw/zinc/02/89/61/638028961.db2.gz GFHKRJXZIXKGBR-VOTSOKGWSA-N 1 1 289.423 2.222 20 10 CECDMO C[C@H]1COCC[N@@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC000835024725 638029459 /nfs/dbraw/zinc/02/94/59/638029459.db2.gz BTYYSCKGGKRRBE-WSNITJDQSA-N 1 1 260.381 2.487 20 10 CECDMO C[C@H]1COCC[N@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC000835024725 638029464 /nfs/dbraw/zinc/02/94/64/638029464.db2.gz BTYYSCKGGKRRBE-WSNITJDQSA-N 1 1 260.381 2.487 20 10 CECDMO COC[C@@H]1C[N@H+](C/C=C\c2ccc(N(C)C)cc2)CCO1 ZINC000835025133 638029730 /nfs/dbraw/zinc/02/97/30/638029730.db2.gz FZEZSSYXYAWTBE-CHYADLBTSA-N 1 1 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ZINC000912999967 639170423 /nfs/dbraw/zinc/17/04/23/639170423.db2.gz AXFFNRBMBMWCJB-AWEZNQCLSA-N 1 1 290.407 2.439 20 10 CECDMO Cc1cc(C[NH2+]Cc2ccc3c(c2)CCCN3C)nn1C ZINC000840887290 639574010 /nfs/dbraw/zinc/57/40/10/639574010.db2.gz VXABBZFYXMKXFG-UHFFFAOYSA-N 1 1 284.407 2.401 20 10 CECDMO CC[N@@H+](CCC(=O)OC)Cc1ccc(N(C)C)cc1C ZINC000840911746 639582859 /nfs/dbraw/zinc/58/28/59/639582859.db2.gz OPXNDFZTUKTBJP-UHFFFAOYSA-N 1 1 278.396 2.446 20 10 CECDMO Cc1cc(N(C)C)ccc1C[N@H+]1CC[S@](=O)[C@@H](C)[C@H]1C ZINC000840917409 639585407 /nfs/dbraw/zinc/58/54/07/639585407.db2.gz JXYRZYAGYHGHSZ-CKNLXJGOSA-N 1 1 294.464 2.402 20 10 CECDMO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[S@](=O)[C@@H](C)[C@H]1C ZINC000840917409 639585413 /nfs/dbraw/zinc/58/54/13/639585413.db2.gz JXYRZYAGYHGHSZ-CKNLXJGOSA-N 1 1 294.464 2.402 20 10 CECDMO Cc1cc(O)c(C[N@H+]2CC[C@@](C)(O)C2)c(Cl)c1 ZINC000840918780 639585951 /nfs/dbraw/zinc/58/59/51/639585951.db2.gz JRMQBENLUQGLPL-CYBMUJFWSA-N 1 1 255.745 2.311 20 10 CECDMO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCc2cn[nH]c2C1 ZINC000840935061 639590980 /nfs/dbraw/zinc/59/09/80/639590980.db2.gz CZAJNFVUYURDHR-HNNXBMFYSA-N 1 1 284.407 2.431 20 10 CECDMO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H]([C@H](C)O)C1 ZINC000840936158 639591498 /nfs/dbraw/zinc/59/14/98/639591498.db2.gz FPXAOTRLTVIQAR-ZFWWWQNUSA-N 1 1 262.397 2.264 20 10 CECDMO CN(C)C(=O)[C@H]1CC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000840959065 639601578 /nfs/dbraw/zinc/60/15/78/639601578.db2.gz XRVIVLJLQWISCG-HNNXBMFYSA-N 1 1 298.386 2.456 20 10 CECDMO CCN(CC)c1ccc(C[N@@H+]2CCO[C@H]([C@@H](C)O)C2)cc1 ZINC000840978903 639608334 /nfs/dbraw/zinc/60/83/34/639608334.db2.gz XAXVTOBCWGPGKA-PBHICJAKSA-N 1 1 292.423 2.114 20 10 CECDMO CCN(CC)c1ccc(C[N@H+]2CCO[C@H]([C@@H](C)O)C2)cc1 ZINC000840978903 639608336 /nfs/dbraw/zinc/60/83/36/639608336.db2.gz XAXVTOBCWGPGKA-PBHICJAKSA-N 1 1 292.423 2.114 20 10 CECDMO COc1cc(O)c(C[N@H+]2CCC[C@@H](CO)[C@@H]2C)cc1OC ZINC000840979895 639609127 /nfs/dbraw/zinc/60/91/27/639609127.db2.gz VKSDWLJPABONDV-RYUDHWBXSA-N 1 1 295.379 2.002 20 10 CECDMO COc1cccc(O)c1CNC[C@@H]([NH3+])c1ccccc1 ZINC000841034323 639626776 /nfs/dbraw/zinc/62/67/76/639626776.db2.gz CKBJMSVZMKVFFG-CQSZACIVSA-N 1 1 272.348 2.190 20 10 CECDMO [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC000841055260 639634456 /nfs/dbraw/zinc/63/44/56/639634456.db2.gz MQRKPOJNAATIOP-VXGBXAGGSA-N 1 1 254.761 2.405 20 10 CECDMO CCOc1cccc(CN[C@@H]2CC[NH2+][C@@H](C)C2)c1O ZINC000841062939 639638173 /nfs/dbraw/zinc/63/81/73/639638173.db2.gz ZNDKBKOEUSIGMF-WCQYABFASA-N 1 1 264.369 2.021 20 10 CECDMO CN(C)c1ccc(/C=C/CNC2(C)CC[NH2+]CC2)cc1 ZINC000841066176 639640831 /nfs/dbraw/zinc/64/08/31/639640831.db2.gz WYMVSNPLONWZEI-SNAWJCMRSA-N 1 1 273.424 2.498 20 10 CECDMO C[NH2+]CCCN(C)Cc1cc(Cl)cc(C)c1O ZINC000841102853 639679889 /nfs/dbraw/zinc/67/98/89/639679889.db2.gz AGHNOGLKOFMDOQ-UHFFFAOYSA-N 1 1 256.777 2.395 20 10 CECDMO C[NH2+]C[C@H]1CCCN(Cc2ccc(N(C)C)cc2C)C1 ZINC000843044975 640249754 /nfs/dbraw/zinc/24/97/54/640249754.db2.gz OGTCXMMATJMVLX-OAHLLOKOSA-N 1 1 275.440 2.492 20 10 CECDMO CN(C)c1ccc(/C=C\CN2CCC[C@H](C[NH3+])C2)cc1 ZINC000843047840 640252787 /nfs/dbraw/zinc/25/27/87/640252787.db2.gz YKQPPXRWWXIYGR-OICCZTGUSA-N 1 1 273.424 2.437 20 10 CECDMO CCC[C@@H]1CNCC[N@@H+]1Cc1ccc(OCC)cc1O ZINC000843057666 640259961 /nfs/dbraw/zinc/25/99/61/640259961.db2.gz GUPKGBXSEQNXEZ-CQSZACIVSA-N 1 1 278.396 2.365 20 10 CECDMO CCC[C@@H]1CNCC[N@H+]1Cc1ccc(OCC)cc1O ZINC000843057666 640259963 /nfs/dbraw/zinc/25/99/63/640259963.db2.gz GUPKGBXSEQNXEZ-CQSZACIVSA-N 1 1 278.396 2.365 20 10 CECDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCN[C@H](C)[C@H]1C ZINC000843057237 640260194 /nfs/dbraw/zinc/26/01/94/640260194.db2.gz HEHMSXPZAYGVTI-ZIAGYGMSSA-N 1 1 261.413 2.243 20 10 CECDMO Cc1cc(N(C)C)ccc1C[N@@H+]1CCN[C@H](C)[C@H]1C ZINC000843057237 640260196 /nfs/dbraw/zinc/26/01/96/640260196.db2.gz HEHMSXPZAYGVTI-ZIAGYGMSSA-N 1 1 261.413 2.243 20 10 CECDMO C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000843058741 640260899 /nfs/dbraw/zinc/26/08/99/640260899.db2.gz XFIHVOZAOZEKNW-RKDXNWHRSA-N 1 1 299.758 2.123 20 10 CECDMO [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000843112332 640285612 /nfs/dbraw/zinc/28/56/12/640285612.db2.gz HJIFGNDESSSBKE-NSHDSACASA-N 1 1 252.333 2.092 20 10 CECDMO [O-]c1c(F)cccc1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000843118688 640288238 /nfs/dbraw/zinc/28/82/38/640288238.db2.gz MMIDOQYJGSMUPD-OAHLLOKOSA-N 1 1 264.344 2.107 20 10 CECDMO CCOc1cccc(CN2CCC[C@@]3(CC[NH2+]C3)C2)c1O ZINC000843124316 640291121 /nfs/dbraw/zinc/29/11/21/640291121.db2.gz YCTQFEPUUIGDEU-KRWDZBQOSA-N 1 1 290.407 2.366 20 10 CECDMO CN(Cc1c(O)ccc(Cl)c1F)C1(C[NH3+])CCC1 ZINC000843125646 640292262 /nfs/dbraw/zinc/29/22/62/640292262.db2.gz ZZJMVYFXEDZXAN-UHFFFAOYSA-N 1 1 272.751 2.498 20 10 CECDMO COc1ccc(N(C)CCN(C)C[C@@H]2CCC[NH2+]C2)cc1 ZINC000844901180 640860224 /nfs/dbraw/zinc/86/02/24/640860224.db2.gz FUSHGFRUFLFPAO-OAHLLOKOSA-N 1 1 291.439 2.063 20 10 CECDMO COc1ccc(N(C)CCN(C)C[C@H]2CCC[NH2+]C2)cc1 ZINC000844901179 640860574 /nfs/dbraw/zinc/86/05/74/640860574.db2.gz FUSHGFRUFLFPAO-HNNXBMFYSA-N 1 1 291.439 2.063 20 10 CECDMO C[C@H]([NH2+]C[C@H]1CC(=O)N(C2CC2)C1)c1ccc(F)cc1O ZINC000846205629 641220512 /nfs/dbraw/zinc/22/05/12/641220512.db2.gz IOHVYNZRNIQFFI-WDEREUQCSA-N 1 1 292.354 2.193 20 10 CECDMO Cc1cccc(C[N@H+](CC(N)=O)Cc2ccccc2)c1O ZINC000180206270 641432147 /nfs/dbraw/zinc/43/21/47/641432147.db2.gz PLCVYGCFISPSHR-UHFFFAOYSA-N 1 1 284.359 2.188 20 10 CECDMO Cc1cccc(C[N@@H+](CC(N)=O)Cc2ccccc2)c1O ZINC000180206270 641432155 /nfs/dbraw/zinc/43/21/55/641432155.db2.gz PLCVYGCFISPSHR-UHFFFAOYSA-N 1 1 284.359 2.188 20 10 CECDMO CSC[C@H](CCO)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000185530239 641989972 /nfs/dbraw/zinc/98/99/72/641989972.db2.gz BXJPESPSYRFVHC-ONGXEEELSA-N 1 1 273.373 2.296 20 10 CECDMO Nc1ccc(NC(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000848594372 642071960 /nfs/dbraw/zinc/07/19/60/642071960.db2.gz JZRLPTXAOKWIOV-GJZGRUSLSA-N 1 1 288.395 2.407 20 10 CECDMO CCc1cccc(C[NH+]2CCN(C(=O)C3CC3)CC2)c1O ZINC000848880258 642167620 /nfs/dbraw/zinc/16/76/20/642167620.db2.gz MQCJPYGITSHFJG-UHFFFAOYSA-N 1 1 288.391 2.009 20 10 CECDMO CCc1cccc(C[N@H+]2CCC[C@H](C(=O)OC)C2)c1O ZINC000848881815 642168295 /nfs/dbraw/zinc/16/82/95/642168295.db2.gz UXJZMKYZYHKLTP-AWEZNQCLSA-N 1 1 277.364 2.340 20 10 CECDMO CCc1cccc(C[N@@H+]2CC[S@](=O)[C@@H](C)[C@@H]2C)c1O ZINC000848887721 642172023 /nfs/dbraw/zinc/17/20/23/642172023.db2.gz CKPQMATXDSPTBS-ZKTNFTSUSA-N 1 1 281.421 2.296 20 10 CECDMO CCc1cccc(C[N@H+]2CC[S@](=O)[C@@H](C)[C@@H]2C)c1O ZINC000848887721 642172026 /nfs/dbraw/zinc/17/20/26/642172026.db2.gz CKPQMATXDSPTBS-ZKTNFTSUSA-N 1 1 281.421 2.296 20 10 CECDMO CCc1cccc(C[NH2+]Cc2nn(CC)nc2C)c1O ZINC000848918034 642191184 /nfs/dbraw/zinc/19/11/84/642191184.db2.gz NLUYJEWRECVDRO-UHFFFAOYSA-N 1 1 274.368 2.164 20 10 CECDMO Cc1cccc(O)c1C[N@@H+]1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000877473660 650737959 /nfs/dbraw/zinc/73/79/59/650737959.db2.gz PFZGKWBAMKRDJS-FVGIMDHTSA-N 1 1 267.394 2.042 20 10 CECDMO Cc1cccc(O)c1C[N@H+]1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000877473660 650737961 /nfs/dbraw/zinc/73/79/61/650737961.db2.gz PFZGKWBAMKRDJS-FVGIMDHTSA-N 1 1 267.394 2.042 20 10 CECDMO Cc1cc(N(C)C)ccc1CNCC1([NH3+])CCCC1 ZINC000849349999 642340247 /nfs/dbraw/zinc/34/02/47/642340247.db2.gz MWDYBPBHTMRGCE-UHFFFAOYSA-N 1 1 261.413 2.422 20 10 CECDMO CCOc1cccc(CNCC2([NH3+])CCCC2)c1O ZINC000849349773 642340919 /nfs/dbraw/zinc/34/09/19/642340919.db2.gz IQUQNKQFCZZYFU-UHFFFAOYSA-N 1 1 264.369 2.152 20 10 CECDMO Cc1cccc(O)c1C[N@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000877485877 650744416 /nfs/dbraw/zinc/74/44/16/650744416.db2.gz BMROHJBTOVITQN-XJKSGUPXSA-N 1 1 277.364 2.080 20 10 CECDMO Cc1ccc(C[N@H+]2C[C@@]3(CCOC3)OC(C)(C)C2)c(O)c1 ZINC000877492638 650748130 /nfs/dbraw/zinc/74/81/30/650748130.db2.gz OHIRHWXXZKQGIA-QGZVFWFLSA-N 1 1 291.391 2.471 20 10 CECDMO CC[C@@H]1C[N@H+](Cc2ccc(C)cc2O)C[C@@H](C)[S@]1=O ZINC000877517407 650760791 /nfs/dbraw/zinc/76/07/91/650760791.db2.gz NQGZCDWXDMSTPB-BBEGDGIKSA-N 1 1 281.421 2.432 20 10 CECDMO CC[C@@H]1C[N@@H+](Cc2ccc(C)cc2O)C[C@@H](C)[S@]1=O ZINC000877517407 650760793 /nfs/dbraw/zinc/76/07/93/650760793.db2.gz NQGZCDWXDMSTPB-BBEGDGIKSA-N 1 1 281.421 2.432 20 10 CECDMO Cc1cccc(O)c1C[N@@H+]1CC[C@H](c2nccn2C)C1 ZINC000877528573 650769676 /nfs/dbraw/zinc/76/96/76/650769676.db2.gz DUSURNLQBXJJRQ-ZDUSSCGKSA-N 1 1 271.364 2.424 20 10 CECDMO C[C@H]([NH2+][C@H]1C[C@H](C)n2ncnc21)c1cc(F)ccc1O ZINC000850499346 642732723 /nfs/dbraw/zinc/73/27/23/642732723.db2.gz NRIAQZKTCCNVKK-AUTRQRHGSA-N 1 1 276.315 2.479 20 10 CECDMO Oc1cc2c(cc1C[NH2+][C@H](c1ncccn1)C1CC1)OCO2 ZINC000922579357 643139140 /nfs/dbraw/zinc/13/91/40/643139140.db2.gz HYHJPWHDMXPLKQ-HNNXBMFYSA-N 1 1 299.330 2.152 20 10 CECDMO COC(=O)[C@H]1CCC[N@@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000164351508 643382916 /nfs/dbraw/zinc/38/29/16/643382916.db2.gz SGELLJAQDPDOMC-LBPRGKRZSA-N 1 1 293.363 2.094 20 10 CECDMO CCN(C)c1ccc(C[N@@H+]2CCc3nccnc3C2)cc1 ZINC000852697580 643515195 /nfs/dbraw/zinc/51/51/95/643515195.db2.gz GCPYDVWWZYVAON-UHFFFAOYSA-N 1 1 282.391 2.491 20 10 CECDMO CCN(C)c1ccc(C[N@H+]2CCc3nccnc3C2)cc1 ZINC000852697580 643515201 /nfs/dbraw/zinc/51/52/01/643515201.db2.gz GCPYDVWWZYVAON-UHFFFAOYSA-N 1 1 282.391 2.491 20 10 CECDMO Cc1ccc(O)c(C[N@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)c1 ZINC000877693611 650853965 /nfs/dbraw/zinc/85/39/65/650853965.db2.gz LWDPIMWNZBOJKY-NWDGAFQWSA-N 1 1 289.297 2.303 20 10 CECDMO CNC(=O)CC[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000111232746 643732460 /nfs/dbraw/zinc/73/24/60/643732460.db2.gz GXSKPDVKCWABSW-UHFFFAOYSA-N 1 1 288.347 2.124 20 10 CECDMO Cc1cc(O)c(C[N@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)cc1C ZINC000853554618 643811423 /nfs/dbraw/zinc/81/14/23/643811423.db2.gz BPBZBEDQWRNISE-HIFRSBDPSA-N 1 1 288.391 2.110 20 10 CECDMO C[N@H+](Cc1c(O)ccc2ccccc21)C[C@H]1COCCO1 ZINC000853558893 643812607 /nfs/dbraw/zinc/81/26/07/643812607.db2.gz LAKOIBJDOYHTII-AWEZNQCLSA-N 1 1 287.359 2.393 20 10 CECDMO CN(C)c1ccc(CN2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)cc1F ZINC000877744696 650890945 /nfs/dbraw/zinc/89/09/45/650890945.db2.gz WZWJQPZWFSMHHB-GOEBONIOSA-N 1 1 291.414 2.418 20 10 CECDMO C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C1=CC(=O)CS1)C2 ZINC000854735513 644147187 /nfs/dbraw/zinc/14/71/87/644147187.db2.gz RDCRQOBALKWYKK-CQSZACIVSA-N 1 1 280.393 2.012 20 10 CECDMO COc1cc(O)c(C[N@H+]2CCC[C@@H]3COC[C@@H]32)cc1OC ZINC000839187948 644184153 /nfs/dbraw/zinc/18/41/53/644184153.db2.gz RSJBJCKAXSJJEU-YPMHNXCESA-N 1 1 293.363 2.020 20 10 CECDMO CCOc1cccc(C[N@H+]2CC[C@H](C(C)(C)O)C2)c1O ZINC000877835393 650927773 /nfs/dbraw/zinc/92/77/73/650927773.db2.gz QWEMQKXBCBVPBI-ZDUSSCGKSA-N 1 1 279.380 2.384 20 10 CECDMO CC[S@@](=O)CC[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756574675 644670696 /nfs/dbraw/zinc/67/06/96/644670696.db2.gz FULMHCBZOVAGFN-DCXZOGHSSA-N 1 1 277.336 2.090 20 10 CECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@](C)(O)C(C)C)c1 ZINC000756578029 644671815 /nfs/dbraw/zinc/67/18/15/644671815.db2.gz VLHVNGMOKWALDJ-BDJLRTHQSA-N 1 1 295.379 2.236 20 10 CECDMO CC(C)[N@@H+](C)CC(=O)NCCCSc1nccs1 ZINC000114376035 644694845 /nfs/dbraw/zinc/69/48/45/644694845.db2.gz CDLDTHNOXKRWKW-UHFFFAOYSA-N 1 1 287.454 2.082 20 10 CECDMO C[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2)C[C@@H]1CO ZINC000856796011 644728924 /nfs/dbraw/zinc/72/89/24/644728924.db2.gz MXALOZWQBPCNQL-UKRRQHHQSA-N 1 1 262.397 2.203 20 10 CECDMO CCOc1ccc(C[N@H+]2CC[C@H](C)[C@@H](CO)C2)c(O)c1 ZINC000857060665 644806022 /nfs/dbraw/zinc/80/60/22/644806022.db2.gz DIFABNXPOYCYPV-GXTWGEPZSA-N 1 1 279.380 2.241 20 10 CECDMO CC[C@@H]([NH2+][C@@H]1CCN(C(C)=O)C1)c1ccc(F)cc1O ZINC000857084340 644813069 /nfs/dbraw/zinc/81/30/69/644813069.db2.gz NKMVSUCPGAUAOQ-TZMCWYRMSA-N 1 1 280.343 2.193 20 10 CECDMO CN(C)c1ccc(C[N@@H+]2CCc3nc[nH]c3C2)cc1 ZINC000859305185 645451038 /nfs/dbraw/zinc/45/10/38/645451038.db2.gz 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ZINC000133039689 652587593 /nfs/dbraw/zinc/58/75/93/652587593.db2.gz CBNLYSPDFNLOFJ-LBPRGKRZSA-N 1 1 282.771 2.146 20 10 CECDMO Cc1nc(CC[N@@H+](C)Cc2cc(F)c(F)cc2O)no1 ZINC001142509142 806609135 /nfs/dbraw/zinc/60/91/35/806609135.db2.gz YMCWDVLZVWCNMU-UHFFFAOYSA-N 1 1 283.278 2.036 20 10 CECDMO Cc1nc(CC[N@H+](C)Cc2cc(F)c(F)cc2O)no1 ZINC001142509142 806609140 /nfs/dbraw/zinc/60/91/40/806609140.db2.gz YMCWDVLZVWCNMU-UHFFFAOYSA-N 1 1 283.278 2.036 20 10 CECDMO Oc1cc(F)c(F)cc1C[N@@H+]1CC[C@H]2OCC[C@@H]2C1 ZINC001142527145 806619440 /nfs/dbraw/zinc/61/94/40/806619440.db2.gz MEWKXHXWOAQVFP-YMTOWFKASA-N 1 1 269.291 2.281 20 10 CECDMO Oc1cc(F)c(F)cc1C[N@H+]1CC[C@H]2OCC[C@@H]2C1 ZINC001142527145 806619449 /nfs/dbraw/zinc/61/94/49/806619449.db2.gz MEWKXHXWOAQVFP-YMTOWFKASA-N 1 1 269.291 2.281 20 10 CECDMO C[C@H]1CCC[N@@H+](Cc2cc(F)ccc2O)[C@H]1CO ZINC001140057728 802549645 /nfs/dbraw/zinc/54/96/45/802549645.db2.gz LJOAXTFMIMDZBC-GWCFXTLKSA-N 1 1 253.317 2.124 20 10 CECDMO CC[N@H+](CCN(C)C)Cc1cc(Cl)ccc1O ZINC000708351714 803325805 /nfs/dbraw/zinc/32/58/05/803325805.db2.gz ATIKJSBVZFIDSI-UHFFFAOYSA-N 1 1 256.777 2.429 20 10 CECDMO CC[N@@H+](CCN(C)C)Cc1cc(Cl)ccc1O ZINC000708351714 803325808 /nfs/dbraw/zinc/32/58/08/803325808.db2.gz ATIKJSBVZFIDSI-UHFFFAOYSA-N 1 1 256.777 2.429 20 10 CECDMO Cc1c(O)ccc(C[N@H+]2CCc3cnccc3C2)c1O ZINC001140741950 803511749 /nfs/dbraw/zinc/51/17/49/803511749.db2.gz DXVRBGJWGXBXSB-UHFFFAOYSA-N 1 1 270.332 2.360 20 10 CECDMO C[N@H+](Cc1cnco1)Cc1ccc(N2CCOCC2)cc1 ZINC001140931405 803610744 /nfs/dbraw/zinc/61/07/44/803610744.db2.gz IVOIHLKNUPRWBT-UHFFFAOYSA-N 1 1 287.363 2.143 20 10 CECDMO C[N@@H+](Cc1cnco1)Cc1ccc(N2CCOCC2)cc1 ZINC001140931405 803610747 /nfs/dbraw/zinc/61/07/47/803610747.db2.gz IVOIHLKNUPRWBT-UHFFFAOYSA-N 1 1 287.363 2.143 20 10 CECDMO COC(=O)N(C)CC[N@@H+](C)Cc1cc2c(cc1O)CCC2 ZINC001118595325 815028138 /nfs/dbraw/zinc/02/81/38/815028138.db2.gz RWOOFUQSFKMDHT-UHFFFAOYSA-N 1 1 292.379 2.011 20 10 CECDMO C[C@H]([NH2+]CC[C@H](O)C(F)F)c1ccc(F)cc1O ZINC000716662813 815139358 /nfs/dbraw/zinc/13/93/58/815139358.db2.gz ROOKOUDWUJGRDA-XVKPBYJWSA-N 1 1 263.259 2.198 20 10 CECDMO C[C@H]1CN(C)C(=O)C[N@@H+]1Cc1cccc(C(C)(C)C)c1O ZINC001143112712 809021224 /nfs/dbraw/zinc/02/12/24/809021224.db2.gz YHWINYKFSIKZLH-LBPRGKRZSA-N 1 1 290.407 2.352 20 10 CECDMO C[C@H]1CN(C)C(=O)C[N@H+]1Cc1cccc(C(C)(C)C)c1O ZINC001143112712 809021232 /nfs/dbraw/zinc/02/12/32/809021232.db2.gz YHWINYKFSIKZLH-LBPRGKRZSA-N 1 1 290.407 2.352 20 10 CECDMO Cc1cccc(C[N@H+]2CCO[C@@H](CCF)C2)c1O ZINC000700587760 809325156 /nfs/dbraw/zinc/32/51/56/809325156.db2.gz CYZKROYKKUAQNQ-ZDUSSCGKSA-N 1 1 253.317 2.261 20 10 CECDMO CCO[C@H]1CC[N@@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000701708111 809450785 /nfs/dbraw/zinc/45/07/85/809450785.db2.gz CQCOXPRWCFBGDR-ZDUSSCGKSA-N 1 1 281.327 2.345 20 10 CECDMO COC(=O)[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2F)[C@@H]1C ZINC001137838433 809798097 /nfs/dbraw/zinc/79/80/97/809798097.db2.gz AAHNFPIZTFDDAD-GHMZBOCLSA-N 1 1 281.327 2.305 20 10 CECDMO COC(=O)[C@@H]1CCC[N@H+](Cc2c(O)cccc2F)[C@@H]1C ZINC001137838433 809798099 /nfs/dbraw/zinc/79/80/99/809798099.db2.gz AAHNFPIZTFDDAD-GHMZBOCLSA-N 1 1 281.327 2.305 20 10 CECDMO COC(=O)[C@@H]1CCC[N@@H+](Cc2c(O)cccc2F)[C@@H]1C ZINC001137838433 809798103 /nfs/dbraw/zinc/79/81/03/809798103.db2.gz AAHNFPIZTFDDAD-GHMZBOCLSA-N 1 1 281.327 2.305 20 10 CECDMO C[C@H](CNCc1c(O)cccc1Br)[NH+](C)C ZINC000706863376 809858954 /nfs/dbraw/zinc/85/89/54/809858954.db2.gz FLLVJHCJAPKAAA-SECBINFHSA-N 1 1 287.201 2.194 20 10 CECDMO C[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)[C@@H]1CCOC1 ZINC000708438582 809930705 /nfs/dbraw/zinc/93/07/05/809930705.db2.gz WURUMJUNYLBWJH-RKDXNWHRSA-N 1 1 257.280 2.185 20 10 CECDMO CC[C@@](C)(CCO)[NH2+]Cc1cc(F)cc(F)c1O ZINC000708454642 809931096 /nfs/dbraw/zinc/93/10/96/809931096.db2.gz QAOWNDGGELNTLB-ZDUSSCGKSA-N 1 1 259.296 2.311 20 10 CECDMO CCC[N@H+]1CC[C@H](C[NH2+]Cc2cc(F)cc(F)c2[O-])C1 ZINC000708516471 809944079 /nfs/dbraw/zinc/94/40/79/809944079.db2.gz IRYOSBRJIBZBLR-LLVKDONJSA-N 1 1 284.350 2.492 20 10 CECDMO CC1(C)C[C@@H]([N@H+]2CCCc3cc(O)c(O)cc3C2)CO1 ZINC001172293862 815384596 /nfs/dbraw/zinc/38/45/96/815384596.db2.gz SXGIBIOMRAQCDW-CYBMUJFWSA-N 1 1 277.364 2.414 20 10 CECDMO CCC[N@@H+]1CC[C@@H](NCc2ccc3c(c2)CCO3)C1 ZINC000389412729 811205644 /nfs/dbraw/zinc/20/56/44/811205644.db2.gz SLLWGCWPKBQZCA-OAHLLOKOSA-N 1 1 260.381 2.195 20 10 CECDMO CCC[N@H+]1CC[C@@H](NCc2ccc3c(c2)CCO3)C1 ZINC000389412729 811205650 /nfs/dbraw/zinc/20/56/50/811205650.db2.gz SLLWGCWPKBQZCA-OAHLLOKOSA-N 1 1 260.381 2.195 20 10 CECDMO C[C@H](CC[NH+](C)C)NCc1ccc2c(c1)CCCO2 ZINC000389078109 813247076 /nfs/dbraw/zinc/24/70/76/813247076.db2.gz ZWINNDMRZVBIFJ-CYBMUJFWSA-N 1 1 262.397 2.441 20 10 CECDMO C[C@H](CCN(C)C)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000389078109 813247079 /nfs/dbraw/zinc/24/70/79/813247079.db2.gz ZWINNDMRZVBIFJ-CYBMUJFWSA-N 1 1 262.397 2.441 20 10 CECDMO Cc1ccc(O)c(C[NH2+]Cc2nn(C)cc2Cl)c1 ZINC000393516831 813315565 /nfs/dbraw/zinc/31/55/65/813315565.db2.gz QHBXXNKOCCPGST-UHFFFAOYSA-N 1 1 265.744 2.377 20 10 CECDMO CC(C)[C@H](CO)C[NH2+][C@H](C)c1ccc(F)cc1O ZINC000394044442 813334381 /nfs/dbraw/zinc/33/43/81/813334381.db2.gz HXLJACSHLFCPRM-MNOVXSKESA-N 1 1 255.333 2.446 20 10 CECDMO COc1cccc(C[N@H+]2CCCOC[C@H]2C)c1O ZINC000398932019 813688149 /nfs/dbraw/zinc/68/81/49/813688149.db2.gz PGUDWCHXYUYXPG-LLVKDONJSA-N 1 1 251.326 2.012 20 10 CECDMO Oc1ccc(C[N@H+]2CCc3cccc(O)c3C2)nc1 ZINC001144263295 814013934 /nfs/dbraw/zinc/01/39/34/814013934.db2.gz TTWZUDYXEWVWIS-UHFFFAOYSA-N 1 1 256.305 2.051 20 10 CECDMO CC(C)[C@H]1CCC[N@H+]1Cc1c(O)cc(O)cc1O ZINC001144515441 814099996 /nfs/dbraw/zinc/09/99/96/814099996.db2.gz OSJUMDLDUUVWGA-GFCCVEGCSA-N 1 1 251.326 2.424 20 10 CECDMO CCC1([NH3+])CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000714754474 814913971 /nfs/dbraw/zinc/91/39/71/814913971.db2.gz VEWJZUPHJVMSAS-UHFFFAOYSA-N 1 1 261.413 2.456 20 10 CECDMO Cc1cc(C[N@H+]2CCCC[C@@H](O)C2)ccc1N(C)C ZINC001139670029 815625650 /nfs/dbraw/zinc/62/56/50/815625650.db2.gz VWPXYDVZGFEQTM-OAHLLOKOSA-N 1 1 262.397 2.408 20 10 CECDMO Oc1cccc(F)c1C[N@@H+]1CCCC[C@@](O)(CF)C1 ZINC001137831855 815691371 /nfs/dbraw/zinc/69/13/71/815691371.db2.gz PYTJMJSIPJHDEY-CQSZACIVSA-N 1 1 271.307 2.218 20 10 CECDMO Oc1cccc(F)c1C[N@H+]1CCCC[C@@](O)(CF)C1 ZINC001137831855 815691377 /nfs/dbraw/zinc/69/13/77/815691377.db2.gz PYTJMJSIPJHDEY-CQSZACIVSA-N 1 1 271.307 2.218 20 10 CECDMO CC(C)[N@@H+](C)[C@H]1CCN(Cc2cccc(F)c2O)C1 ZINC001138129757 815734848 /nfs/dbraw/zinc/73/48/48/815734848.db2.gz VCJRYHNZFKTLQL-ZDUSSCGKSA-N 1 1 266.360 2.446 20 10 CECDMO Cc1c(C[N@H+]2C[C@@H]3CCNC(=O)[C@@H]3C2)c2ccccc2n1C ZINC001138257952 815756147 /nfs/dbraw/zinc/75/61/47/815756147.db2.gz FLXAATMRRVNRSK-XJKSGUPXSA-N 1 1 297.402 2.055 20 10 CECDMO COCC[N@@H+](C)Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138338141 815769937 /nfs/dbraw/zinc/76/99/37/815769937.db2.gz KSZFXHCRCUKBPB-UHFFFAOYSA-N 1 1 290.407 2.169 20 10 CECDMO CN1CCCc2cc(C[N@H+]3CCC[C@](C)(O)C3)ccc21 ZINC001138358195 815774261 /nfs/dbraw/zinc/77/42/61/815774261.db2.gz PTUGIMICMDZUHH-KRWDZBQOSA-N 1 1 274.408 2.416 20 10 CECDMO CN1CCCc2cc(C[N@H+]3CC[C@@H](O)[C@H](F)CC3)ccc21 ZINC001138354980 815775366 /nfs/dbraw/zinc/77/53/66/815775366.db2.gz XLFJTAWNWAWRNN-NVXWUHKLSA-N 1 1 292.398 2.364 20 10 CECDMO CN1CCCc2cc(CN3CCC[N@@H+](C)CC3)ccc21 ZINC001138354695 815775406 /nfs/dbraw/zinc/77/54/06/815775406.db2.gz QLQOWEKPKLOPOI-UHFFFAOYSA-N 1 1 273.424 2.207 20 10 CECDMO CN1CCCc2cc(C[N@@H+]3CCCN(C)CC3)ccc21 ZINC001138354695 815775412 /nfs/dbraw/zinc/77/54/12/815775412.db2.gz QLQOWEKPKLOPOI-UHFFFAOYSA-N 1 1 273.424 2.207 20 10 CECDMO CN1CCCc2cc(C[N@H+]3CCCN(C)CC3)ccc21 ZINC001138354695 815775416 /nfs/dbraw/zinc/77/54/16/815775416.db2.gz QLQOWEKPKLOPOI-UHFFFAOYSA-N 1 1 273.424 2.207 20 10 CECDMO C[C@@H]1C[N@H+](Cc2ccc3c(c2)CCCN3C)CCO1 ZINC001138354726 815775485 /nfs/dbraw/zinc/77/54/85/815775485.db2.gz RQLDLJMHKAVVQO-CYBMUJFWSA-N 1 1 260.381 2.290 20 10 CECDMO C[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCCN3C)CCO1 ZINC001138354726 815775490 /nfs/dbraw/zinc/77/54/90/815775490.db2.gz RQLDLJMHKAVVQO-CYBMUJFWSA-N 1 1 260.381 2.290 20 10 CECDMO FC[C@H]1[C@@H]2C[N@@H+](Cc3ccc(N4CCOCC4)cc3)C[C@H]12 ZINC001138499647 815815548 /nfs/dbraw/zinc/81/55/48/815815548.db2.gz XKJOJKNENHMXQW-OSYLJGHBSA-N 1 1 290.382 2.171 20 10 CECDMO CC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC001138501334 815816184 /nfs/dbraw/zinc/81/61/84/815816184.db2.gz PQLBRMIGZDVLMT-KRWDZBQOSA-N 1 1 288.391 2.077 20 10 CECDMO Oc1cccc2c1C[N@@H+](Cc1ccc3nonc3c1)CC2 ZINC001139221963 815990380 /nfs/dbraw/zinc/99/03/80/815990380.db2.gz DQZDUSDCZMMRSI-UHFFFAOYSA-N 1 1 281.315 2.487 20 10 CECDMO C[NH+]1CCN(c2ccc(C[N@H+]3CCC4(CC4)C3)cc2)CC1 ZINC001139409262 816018792 /nfs/dbraw/zinc/01/87/92/816018792.db2.gz YHLFYSWMAMOKBO-UHFFFAOYSA-N 1 1 285.435 2.424 20 10 CECDMO CN1CCN(c2ccc(C[N@@H+]3CCC4(CC4)C3)cc2)CC1 ZINC001139409262 816018799 /nfs/dbraw/zinc/01/87/99/816018799.db2.gz YHLFYSWMAMOKBO-UHFFFAOYSA-N 1 1 285.435 2.424 20 10 CECDMO CN1CCN(c2ccc(C[N@H+]3CCC4(CC4)C3)cc2)CC1 ZINC001139409262 816018807 /nfs/dbraw/zinc/01/88/07/816018807.db2.gz YHLFYSWMAMOKBO-UHFFFAOYSA-N 1 1 285.435 2.424 20 10 CECDMO CC(=O)[C@H]1CC[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC001139673364 816076872 /nfs/dbraw/zinc/07/68/72/816076872.db2.gz FPAFCFIJOHWPPS-HNNXBMFYSA-N 1 1 260.381 2.472 20 10 CECDMO C[C@H]1C[N@@H+](Cc2cc(F)ccc2O)CCC[C@@H]1O ZINC001140057417 816179686 /nfs/dbraw/zinc/17/96/86/816179686.db2.gz GXOKWZWMUQSGNP-GWCFXTLKSA-N 1 1 253.317 2.124 20 10 CECDMO CC[C@@]12C[C@@H](CO1)[N@H+](Cc1cc(F)ccc1O)C2 ZINC001140059188 816181045 /nfs/dbraw/zinc/18/10/45/816181045.db2.gz XYAMVFMJRJWXMG-JSGCOSHPSA-N 1 1 251.301 2.285 20 10 CECDMO CC[C@@]12C[C@@H](CO1)[N@@H+](Cc1cc(F)ccc1O)C2 ZINC001140059188 816181048 /nfs/dbraw/zinc/18/10/48/816181048.db2.gz XYAMVFMJRJWXMG-JSGCOSHPSA-N 1 1 251.301 2.285 20 10 CECDMO CCN1C[C@@H]2C[N@@H+](Cc3c(C)ccc(C)c3O)C[C@@H]2C1 ZINC001140184750 816205809 /nfs/dbraw/zinc/20/58/09/816205809.db2.gz GXHYJSRMKNSKDW-GASCZTMLSA-N 1 1 274.408 2.393 20 10 CECDMO CCN1C[C@@H]2C[N@H+](Cc3c(C)ccc(C)c3O)C[C@@H]2C1 ZINC001140184750 816205813 /nfs/dbraw/zinc/20/58/13/816205813.db2.gz GXHYJSRMKNSKDW-GASCZTMLSA-N 1 1 274.408 2.393 20 10 CECDMO Cc1ccc(C)c(C[N@H+]2CCC[C@@H](n3cncn3)C2)c1O ZINC001140182685 816206316 /nfs/dbraw/zinc/20/63/16/816206316.db2.gz XGNAWCIRADCPRX-CQSZACIVSA-N 1 1 286.379 2.438 20 10 CECDMO Oc1cc(Cl)ccc1C[N@H+]1CCC[C@H](n2cncn2)C1 ZINC001140465540 816260151 /nfs/dbraw/zinc/26/01/51/816260151.db2.gz NHOWCVYISNPNRB-ZDUSSCGKSA-N 1 1 292.770 2.474 20 10 CECDMO CC[N@H+](Cc1cc(C)ccc1O)[C@@H](C)C(=O)OC ZINC001140624184 816306044 /nfs/dbraw/zinc/30/60/44/816306044.db2.gz JTGQRCHBNMSLKR-NSHDSACASA-N 1 1 251.326 2.084 20 10 CECDMO CC[N@@H+](Cc1cc(C)ccc1O)[C@@H](C)C(=O)OC ZINC001140624184 816306047 /nfs/dbraw/zinc/30/60/47/816306047.db2.gz JTGQRCHBNMSLKR-NSHDSACASA-N 1 1 251.326 2.084 20 10 CECDMO COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cc(C)ccc1O)C2 ZINC001140622968 816306363 /nfs/dbraw/zinc/30/63/63/816306363.db2.gz JEKZOXBLHMKRAZ-GUTXKFCHSA-N 1 1 289.375 2.474 20 10 CECDMO COC1C[C@@H]2COC[C@H](C1)[N@H+]2Cc1ccc(C)cc1O ZINC001140949835 816422183 /nfs/dbraw/zinc/42/21/83/816422183.db2.gz IEVLBOLJUNGOBU-YIONKMFJSA-N 1 1 277.364 2.079 20 10 CECDMO COCc1noc2c1C[N@H+](Cc1ccc(C)cc1O)CC2 ZINC001140950416 816422380 /nfs/dbraw/zinc/42/23/80/816422380.db2.gz SOCQIXBNLCVXTO-UHFFFAOYSA-N 1 1 288.347 2.393 20 10 CECDMO COCc1noc2c1C[N@@H+](Cc1ccc(C)cc1O)CC2 ZINC001140950416 816422384 /nfs/dbraw/zinc/42/23/84/816422384.db2.gz SOCQIXBNLCVXTO-UHFFFAOYSA-N 1 1 288.347 2.393 20 10 CECDMO COC(=O)C[C@H]1CCC[N@@H+](Cc2ccc(C)cc2O)C1 ZINC001140957536 816425384 /nfs/dbraw/zinc/42/53/84/816425384.db2.gz CYGPMPGBTWUTRP-CYBMUJFWSA-N 1 1 277.364 2.476 20 10 CECDMO COc1cc(O)c(C[N@H+]2CCC[C@H]2C(C)(C)O)c(OC)c1 ZINC001141029457 816450415 /nfs/dbraw/zinc/45/04/15/816450415.db2.gz SGXQVJXJXGBMBV-HNNXBMFYSA-N 1 1 295.379 2.145 20 10 CECDMO COc1cc(O)c(C[N@@H+](C)C2CCOCC2)c(OC)c1 ZINC001141032189 816453204 /nfs/dbraw/zinc/45/32/04/816453204.db2.gz VENBZZDLIBQHPU-UHFFFAOYSA-N 1 1 281.352 2.020 20 10 CECDMO C[C@H]1C[NH+](Cc2ccc3c(c2)OCCN3C)C[C@H](C)O1 ZINC001141139593 816483732 /nfs/dbraw/zinc/48/37/32/816483732.db2.gz YDVSHSXDKFPAKY-STQMWFEESA-N 1 1 276.380 2.124 20 10 CECDMO C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)OCCN3C)CC[C@H]1O ZINC001141139945 816483888 /nfs/dbraw/zinc/48/38/88/816483888.db2.gz FWKAQRPFZADQLB-CZUORRHYSA-N 1 1 290.407 2.108 20 10 CECDMO OCC[N@@H+](Cc1ccccc1)Cc1cc(O)ccc1O ZINC001141155609 816488909 /nfs/dbraw/zinc/48/89/09/816488909.db2.gz AYUMRZZPTUGFFQ-UHFFFAOYSA-N 1 1 273.332 2.092 20 10 CECDMO Cc1nc([C@@H]2CCC[N@@H+](Cc3cc(O)ccc3O)C2)no1 ZINC001141156695 816489946 /nfs/dbraw/zinc/48/99/46/816489946.db2.gz QVPXPTUUXQFDIV-LLVKDONJSA-N 1 1 289.335 2.169 20 10 CECDMO COC[C@H]1CCCC[N@H+]1Cc1cc(O)ccc1O ZINC001141156965 816490850 /nfs/dbraw/zinc/49/08/50/816490850.db2.gz ZJBYMFIHAHVIPQ-GFCCVEGCSA-N 1 1 251.326 2.099 20 10 CECDMO CC[N@@H+](C)C1CCN(Cc2cc(O)ccc2O)CC1 ZINC001141162304 816491465 /nfs/dbraw/zinc/49/14/65/816491465.db2.gz ONLFTJSRRFOSRQ-UHFFFAOYSA-N 1 1 264.369 2.014 20 10 CECDMO C[N@@H+](C1CC1)C1CCN(Cc2cc(O)ccc2O)CC1 ZINC001141161532 816491610 /nfs/dbraw/zinc/49/16/10/816491610.db2.gz UIDICENQBOEENI-UHFFFAOYSA-N 1 1 276.380 2.156 20 10 CECDMO Oc1cc(F)c(F)cc1C[N@H+]1CCCC[C@H](O)C1 ZINC001142508518 816676888 /nfs/dbraw/zinc/67/68/88/816676888.db2.gz BPEAVQSKDRRDPU-JTQLQIEISA-N 1 1 257.280 2.017 20 10 CECDMO Oc1cc(F)c(F)cc1C[N@@H+]1CCCC[C@H](O)C1 ZINC001142508518 816676890 /nfs/dbraw/zinc/67/68/90/816676890.db2.gz BPEAVQSKDRRDPU-JTQLQIEISA-N 1 1 257.280 2.017 20 10 CECDMO COC(=O)[C@@H]1CCC[N@H+](Cc2cc(F)c(F)cc2O)[C@H]1C ZINC001142524827 816681268 /nfs/dbraw/zinc/68/12/68/816681268.db2.gz MLVJKIVSZLMXHX-GXSJLCMTSA-N 1 1 299.317 2.444 20 10 CECDMO COC(=O)[C@@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2O)[C@H]1C ZINC001142524827 816681273 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ZINC000111607924 364745799 /nfs/dbraw/zinc/74/57/99/364745799.db2.gz NTDAJSILJNXXEG-UHFFFAOYSA-N 1 1 250.323 2.147 20 10 CECDMO [O-]c1cccc(Cl)c1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000113322831 364887184 /nfs/dbraw/zinc/88/71/84/364887184.db2.gz XYKMXWIPLNZHQL-UHFFFAOYSA-N 1 1 298.814 2.248 20 10 CECDMO COC(=O)C[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1O ZINC000180195631 368371916 /nfs/dbraw/zinc/37/19/16/368371916.db2.gz SBJIIRCDTUOPPZ-LBPRGKRZSA-N 1 1 267.300 2.059 20 10 CECDMO Cc1cc(Cl)cc(C[N@@H+](C)CCN2CCOCC2)c1O ZINC000180023884 368362846 /nfs/dbraw/zinc/36/28/46/368362846.db2.gz HHZOQAWYZAVWFU-UHFFFAOYSA-N 1 1 298.814 2.118 20 10 CECDMO C[N@@H+]1CCC[C@@H]2CN(Cc3cc(F)ccc3O)CC[C@@H]21 ZINC000180280389 368376099 /nfs/dbraw/zinc/37/60/99/368376099.db2.gz SGRJFCSVXHKMJN-DOMZBBRYSA-N 1 1 278.371 2.447 20 10 CECDMO C[N@H+]1CCC[C@@H]2CN(Cc3cc(F)ccc3O)CC[C@@H]21 ZINC000180280389 368376102 /nfs/dbraw/zinc/37/61/02/368376102.db2.gz SGRJFCSVXHKMJN-DOMZBBRYSA-N 1 1 278.371 2.447 20 10 CECDMO Cc1cccc(C[N@H+]2CC[C@@](O)(C(F)(F)F)C2)c1O ZINC000180405486 368379575 /nfs/dbraw/zinc/37/95/75/368379575.db2.gz PWTCZOVXKKHIMG-LBPRGKRZSA-N 1 1 275.270 2.200 20 10 CECDMO COC(=O)[C@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1ccccc1O ZINC000191673997 369732586 /nfs/dbraw/zinc/73/25/86/369732586.db2.gz OLLPWFIICXHRQE-UXIGCNINSA-N 1 1 275.348 2.166 20 10 CECDMO CCOC(=O)[C@H](C)[N@H+](Cc1ccccc1O)C1CC1 ZINC000191713317 369735789 /nfs/dbraw/zinc/73/57/89/369735789.db2.gz WJOGJUVAGHCJOZ-NSHDSACASA-N 1 1 263.337 2.308 20 10 CECDMO CCOC(=O)[C@H](C)[N@@H+](Cc1ccccc1O)C1CC1 ZINC000191713317 369735794 /nfs/dbraw/zinc/73/57/94/369735794.db2.gz WJOGJUVAGHCJOZ-NSHDSACASA-N 1 1 263.337 2.308 20 10 CECDMO CC[C@@H](O)C[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000264471526 371996716 /nfs/dbraw/zinc/99/67/16/371996716.db2.gz RVVDFGGDCDTABY-MRXNPFEDSA-N 1 1 262.397 2.488 20 10 CECDMO COc1cccc(C[N@H+]2CCO[C@H](C3CC3)C2)c1O ZINC000364509126 372744876 /nfs/dbraw/zinc/74/48/76/372744876.db2.gz BDYYSAUEIYGIDS-AWEZNQCLSA-N 1 1 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VGZYWVJUHSIOPK-GJEGPGMTSA-N 1 1 279.764 2.041 20 10 CECDMO COc1ccc(O)c(C[N@H+]2C[C@H]3CCCCN3C[C@@H]2C)c1 ZINC000211283053 400303661 /nfs/dbraw/zinc/30/36/61/400303661.db2.gz OFIFKXZWESHERD-DZGCQCFKSA-N 1 1 290.407 2.459 20 10 CECDMO COc1ccc(O)c(CN2C[C@H]3CCCC[N@@H+]3C[C@@H]2C)c1 ZINC000211283053 400303665 /nfs/dbraw/zinc/30/36/65/400303665.db2.gz OFIFKXZWESHERD-DZGCQCFKSA-N 1 1 290.407 2.459 20 10 CECDMO COc1ccc(O)c(CN2C[C@H]3CCCC[N@H+]3C[C@@H]2C)c1 ZINC000211283053 400303667 /nfs/dbraw/zinc/30/36/67/400303667.db2.gz OFIFKXZWESHERD-DZGCQCFKSA-N 1 1 290.407 2.459 20 10 CECDMO CCC[C@@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)CCO1 ZINC000152514043 261065020 /nfs/dbraw/zinc/06/50/20/261065020.db2.gz KWEUVZARRRQBGE-GFCCVEGCSA-N 1 1 279.336 2.122 20 10 CECDMO CCC[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)CCO1 ZINC000152514043 261065022 /nfs/dbraw/zinc/06/50/22/261065022.db2.gz KWEUVZARRRQBGE-GFCCVEGCSA-N 1 1 279.336 2.122 20 10 CECDMO CC[C@H]([NH2+]CCCN(C)CCOC)c1ccccc1O ZINC000155114101 261098212 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ZINC000367604468 267104637 /nfs/dbraw/zinc/10/46/37/267104637.db2.gz UCEMKHZJARSYAQ-IRXDYDNUSA-N 1 1 290.407 2.132 20 10 CECDMO CO[C@H](C)C[N@H+]1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000367821020 267119949 /nfs/dbraw/zinc/11/99/49/267119949.db2.gz MJQYMYJHSFLACY-CYBMUJFWSA-N 1 1 260.381 2.487 20 10 CECDMO Oc1c(F)cccc1CNc1c[nH+]ccc1-n1ccnn1 ZINC000368034270 267139281 /nfs/dbraw/zinc/13/92/81/267139281.db2.gz ARFISASUYWRXMQ-UHFFFAOYSA-N 1 1 285.282 2.119 20 10 CECDMO CC[C@H](c1ccccc1O)[N@H+]1C[C@@H](F)C[C@@H]1CO ZINC000368041613 267141367 /nfs/dbraw/zinc/14/13/67/267141367.db2.gz UQHMMJKPLBSSGX-DMDPSCGWSA-N 1 1 253.317 2.248 20 10 CECDMO NC(=O)C[C@@H]1CC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000377193061 268054459 /nfs/dbraw/zinc/05/44/59/268054459.db2.gz OLQPKPJLHHQPBI-LBPRGKRZSA-N 1 1 284.359 2.243 20 10 CECDMO CC[C@H](O)C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000268573872 288103021 /nfs/dbraw/zinc/10/30/21/288103021.db2.gz RQSUQNCUCJUYMU-GJZGRUSLSA-N 1 1 279.380 2.144 20 10 CECDMO CO[C@@](C)(C[NH2+]Cc1cccc(F)c1O)C1CC1 ZINC000291008145 294075736 /nfs/dbraw/zinc/07/57/36/294075736.db2.gz DLUDMTVQDSFCLW-AWEZNQCLSA-N 1 1 253.317 2.436 20 10 CECDMO CC[C@@H]([NH2+]CC1([S@@](C)=O)CC1)c1ccc(F)cc1O ZINC000287500348 328251387 /nfs/dbraw/zinc/25/13/87/328251387.db2.gz NRNFHCKEWIFVRV-CWTRNNRKSA-N 1 1 285.384 2.483 20 10 CECDMO CCCNC(=O)C[N@@H+](CCC)Cc1cccc(OC)c1O ZINC000092192451 327189540 /nfs/dbraw/zinc/18/95/40/327189540.db2.gz IMHJLMUPOANUFF-UHFFFAOYSA-N 1 1 294.395 2.139 20 10 CECDMO COc1cccc(C[N@H+](C)C[C@@H]2CCCN(C)C2)c1O ZINC000092253760 327191257 /nfs/dbraw/zinc/19/12/57/327191257.db2.gz BHCUGGIDTIDXLM-CYBMUJFWSA-N 1 1 278.396 2.174 20 10 CECDMO COc1cccc(C[N@@H+](C)C[C@@H]2CCCN(C)C2)c1O ZINC000092253760 327191258 /nfs/dbraw/zinc/19/12/58/327191258.db2.gz BHCUGGIDTIDXLM-CYBMUJFWSA-N 1 1 278.396 2.174 20 10 CECDMO Oc1c(Cl)cccc1CN1CC[NH+]2CCC1CC2 ZINC000377624635 329021331 /nfs/dbraw/zinc/02/13/31/329021331.db2.gz LFWQONREUQDYIT-UHFFFAOYSA-N 1 1 266.772 2.326 20 10 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CPMKNXPSNTXMCH-CZUORRHYSA-N 1 1 262.397 2.264 20 10 CECDMO Cc1cc(O)c(C[N@H+]2CC[C@@](C)(C(N)=O)C2)c(Cl)c1 ZINC000840940729 639594048 /nfs/dbraw/zinc/59/40/48/639594048.db2.gz DDJONCSKGDXLSI-CQSZACIVSA-N 1 1 282.771 2.051 20 10 CECDMO C[C@H]1[C@H](CO)CCC[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000840978244 639607895 /nfs/dbraw/zinc/60/78/95/639607895.db2.gz MQBPYAVYAYLSGJ-JSGCOSHPSA-N 1 1 280.387 2.485 20 10 CECDMO Oc1ccc(Cl)c(F)c1CN[C@H]1CCC[NH2+]C1 ZINC000841043021 639629755 /nfs/dbraw/zinc/62/97/55/639629755.db2.gz MOOGNCAZIMAXHZ-QMMMGPOBSA-N 1 1 258.724 2.026 20 10 CECDMO CCC[NH2+]CCNCc1c(O)ccc(Cl)c1F ZINC000841046766 639632719 /nfs/dbraw/zinc/63/27/19/639632719.db2.gz MUFNZKPPTXKUPW-UHFFFAOYSA-N 1 1 260.740 2.274 20 10 CECDMO Cc1cc(N(C)C)ccc1CN[C@@H]1CC[NH2+][C@H](C)C1 ZINC000841062533 639638435 /nfs/dbraw/zinc/63/84/35/639638435.db2.gz MQVXTKATEMGYLI-UKRRQHHQSA-N 1 1 261.413 2.291 20 10 CECDMO C[C@@H]1C[NH2+]CC[C@@H]1NC/C=C\c1ccc(N(C)C)cc1 ZINC000841063993 639639453 /nfs/dbraw/zinc/63/94/53/639639453.db2.gz NRNTYMKQLCJRHJ-DSLFPGPSSA-N 1 1 273.424 2.353 20 10 CECDMO C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000841066172 639640740 /nfs/dbraw/zinc/64/07/40/639640740.db2.gz WXEZTJMBXKJHHS-KWQFWETISA-N 1 1 299.758 2.184 20 10 CECDMO CN(C)c1ccc(CN[C@@H]2CC[NH2+]CC2(C)C)cc1F ZINC000841072354 639643547 /nfs/dbraw/zinc/64/35/47/639643547.db2.gz IYQOCKWUPLEKEZ-OAHLLOKOSA-N 1 1 279.403 2.369 20 10 CECDMO Cc1cc(Br)cc(CN[C@H](C)[C@H](C)[NH3+])c1O ZINC000841076891 639646896 /nfs/dbraw/zinc/64/68/96/639646896.db2.gz SDYZNUANYSXUMF-DTWKUNHWSA-N 1 1 287.201 2.288 20 10 CECDMO [O-]c1c(F)cccc1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000841088341 639652249 /nfs/dbraw/zinc/65/22/49/639652249.db2.gz VCEBBHIKFXNPRG-DOMZBBRYSA-N 1 1 278.371 2.495 20 10 CECDMO CC(=O)NCC[N@H+](C)Cc1cc(C(C)C)c(C)cc1O ZINC000842633379 640127928 /nfs/dbraw/zinc/12/79/28/640127928.db2.gz QUBMUOXZXXGOEH-UHFFFAOYSA-N 1 1 278.396 2.392 20 10 CECDMO Cc1cc(N(C)C)ccc1C[NH+]1C[C@@H](C)N[C@H](C)C1 ZINC000843049002 640253815 /nfs/dbraw/zinc/25/38/15/640253815.db2.gz CTZRWDODUUJBFC-ZIAGYGMSSA-N 1 1 261.413 2.243 20 10 CECDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H]2CN)cc1 ZINC000843054290 640257425 /nfs/dbraw/zinc/25/74/25/640257425.db2.gz JCOIJXRXKOQPKK-MRXNPFEDSA-N 1 1 261.413 2.456 20 10 CECDMO C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000843058520 640261603 /nfs/dbraw/zinc/26/16/03/640261603.db2.gz VBMSODVKMFUOCS-NXEZZACHSA-N 1 1 254.761 2.215 20 10 CECDMO C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C1CC([NH3+])C1 ZINC000843125606 640292022 /nfs/dbraw/zinc/29/20/22/640292022.db2.gz YPEGBZNMOCPZQA-UHFFFAOYSA-N 1 1 258.724 2.106 20 10 CECDMO NC[C@H]1c2ccccc2CC[N@H+]1Cc1ccccc1O ZINC000843127550 640294698 /nfs/dbraw/zinc/29/46/98/640294698.db2.gz DWUYPTPWZUIHQE-INIZCTEOSA-N 1 1 268.360 2.450 20 10 CECDMO NC[C@H]1c2ccccc2CC[N@@H+]1Cc1ccccc1O ZINC000843127550 640294702 /nfs/dbraw/zinc/29/47/02/640294702.db2.gz DWUYPTPWZUIHQE-INIZCTEOSA-N 1 1 268.360 2.450 20 10 CECDMO Oc1c(F)cccc1C[NH2+][C@@H]1COC[C@@H]1C1CC1 ZINC000914435440 640406711 /nfs/dbraw/zinc/40/67/11/640406711.db2.gz DHIWVWATGCQZNV-DGCLKSJQSA-N 1 1 251.301 2.046 20 10 CECDMO Oc1cc2c(cc1C[N@H+]1CCOC[C@H]1C1CCC1)OCO2 ZINC000843428716 640427602 /nfs/dbraw/zinc/42/76/02/640427602.db2.gz MBMAJWJQMABOPQ-ZDUSSCGKSA-N 1 1 291.347 2.122 20 10 CECDMO COc1ccc(N(C)CC[N@@H+](C)CCC2(O)CCC2)cc1 ZINC000844401368 640708247 /nfs/dbraw/zinc/70/82/47/640708247.db2.gz KEVDWGAGDMVMRQ-UHFFFAOYSA-N 1 1 292.423 2.368 20 10 CECDMO COCC[C@@H](C)[N@@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844400656 640708464 /nfs/dbraw/zinc/70/84/64/640708464.db2.gz FOYVIKHIXMMXCF-CQSZACIVSA-N 1 1 280.412 2.488 20 10 CECDMO COc1ccc(N(C)CC[N@@H+](C)C[C@@H](O)C(C)(C)C)cc1 ZINC000844402303 640709591 /nfs/dbraw/zinc/70/95/91/640709591.db2.gz SKQURTCMPNINEP-MRXNPFEDSA-N 1 1 294.439 2.470 20 10 CECDMO C[C@@H](CCO)[N@H+](C)Cc1cc(Cl)c(F)cc1O ZINC000846113018 641187014 /nfs/dbraw/zinc/18/70/14/641187014.db2.gz XWKLHYXCTISMDT-QMMMGPOBSA-N 1 1 261.724 2.387 20 10 CECDMO C[C@@H](CCO)[N@@H+](C)Cc1cc(Cl)c(F)cc1O ZINC000846113018 641187019 /nfs/dbraw/zinc/18/70/19/641187019.db2.gz XWKLHYXCTISMDT-QMMMGPOBSA-N 1 1 261.724 2.387 20 10 CECDMO CC[C@H]([NH2+]CC[C@]1(O)CCOC1)c1ccc(F)cc1O ZINC000846195140 641218831 /nfs/dbraw/zinc/21/88/31/641218831.db2.gz XHGMDCQYGBYLKS-ZFWWWQNUSA-N 1 1 283.343 2.114 20 10 CECDMO CC[C@@H]([NH2+]CCN1CCCC1=O)c1ccc(F)cc1O ZINC000846206588 641219976 /nfs/dbraw/zinc/21/99/76/641219976.db2.gz QILIWYFYXOEWHF-CYBMUJFWSA-N 1 1 280.343 2.194 20 10 CECDMO C[N@H+]1CCCC[C@@H]1C(=O)NCc1cc(Cl)ccc1O ZINC000846475251 641311824 /nfs/dbraw/zinc/31/18/24/641311824.db2.gz DUIZHHJUSYAGCY-GFCCVEGCSA-N 1 1 282.771 2.146 20 10 CECDMO C[C@H]1C[C@H]([NH3+])CCN1Cc1c(O)ccc(Cl)c1F ZINC000846703697 641403764 /nfs/dbraw/zinc/40/37/64/641403764.db2.gz PMKYGZSFHNYCSY-DTWKUNHWSA-N 1 1 272.751 2.496 20 10 CECDMO CCC[N@@H+](CC[C@@H]1CCNC1=O)Cc1ccccc1O ZINC000846807303 641433169 /nfs/dbraw/zinc/43/31/69/641433169.db2.gz BYFQMJQNXXRBBQ-ZDUSSCGKSA-N 1 1 276.380 2.130 20 10 CECDMO CCCC[N@H+](Cc1ccccc1O)C[C@@H](O)CN(C)CC ZINC000846894213 641472270 /nfs/dbraw/zinc/47/22/70/641472270.db2.gz UPDVROMOCOAASM-INIZCTEOSA-N 1 1 294.439 2.307 20 10 CECDMO CCc1cccc(C[N@@H+]2CC[S@](=O)[C@@H](C)[C@H]2C)c1O ZINC000848887720 642171555 /nfs/dbraw/zinc/17/15/55/642171555.db2.gz CKPQMATXDSPTBS-UFYHVXEKSA-N 1 1 281.421 2.296 20 10 CECDMO CCc1cccc(C[N@H+]2CC[S@](=O)[C@@H](C)[C@H]2C)c1O ZINC000848887720 642171557 /nfs/dbraw/zinc/17/15/57/642171557.db2.gz CKPQMATXDSPTBS-UFYHVXEKSA-N 1 1 281.421 2.296 20 10 CECDMO CCc1cccc(C[N@@H+]2C[C@H](CO)C[C@H](C)C2)c1O ZINC000848917982 642190890 /nfs/dbraw/zinc/19/08/90/642190890.db2.gz MALIZMBLTRYAHU-QWHCGFSZSA-N 1 1 263.381 2.405 20 10 CECDMO C[C@H](O)C[N@@H+](Cc1c(O)cccc1Cl)C1CC1 ZINC000848928608 642199160 /nfs/dbraw/zinc/19/91/60/642199160.db2.gz IQNMGCRICRLGHH-VIFPVBQESA-N 1 1 255.745 2.391 20 10 CECDMO Cc1ccc(C[N@H+]2CC[C@H](C)[S@@](=O)CC2)c(O)c1 ZINC000877476770 650739853 /nfs/dbraw/zinc/73/98/53/650739853.db2.gz MWHNYQITGBLTMJ-SGTLLEGYSA-N 1 1 267.394 2.044 20 10 CECDMO Cc1ccc(C[N@@H+]2CC[C@H](C)[S@@](=O)CC2)c(O)c1 ZINC000877476770 650739854 /nfs/dbraw/zinc/73/98/54/650739854.db2.gz MWHNYQITGBLTMJ-SGTLLEGYSA-N 1 1 267.394 2.044 20 10 CECDMO Cc1ccc(C[N@H+](C)CCN2C[C@@H](C)O[C@@H](C)C2)c(O)c1 ZINC000877485471 650744423 /nfs/dbraw/zinc/74/44/23/650744423.db2.gz VHUBKCFYLUYVME-GASCZTMLSA-N 1 1 292.423 2.242 20 10 CECDMO CC[C@@H]1C[N@@H+](Cc2c(C)cccc2O)C[C@@]2(CCOC2)O1 ZINC000877492955 650749235 /nfs/dbraw/zinc/74/92/35/650749235.db2.gz YZTLYJKUPSGYEE-RHSMWYFYSA-N 1 1 291.391 2.471 20 10 CECDMO CN(C)c1ccc(C[NH2+]Cc2cc3n(n2)CCC3)cc1F ZINC000850099460 642577930 /nfs/dbraw/zinc/57/79/30/642577930.db2.gz LQYMIBUCGZFFJX-UHFFFAOYSA-N 1 1 288.370 2.324 20 10 CECDMO Cc1ccc(C[N@H+]2CCC(F)(F)[C@@H](CO)C2)c(O)c1 ZINC000877541707 650776559 /nfs/dbraw/zinc/77/65/59/650776559.db2.gz LEOMJCNFRPLDFP-GFCCVEGCSA-N 1 1 271.307 2.150 20 10 CECDMO Cc1cccc(O)c1C[N@H+]1CCCC[C@@H]1CS(C)(=O)=O ZINC000877568391 650793530 /nfs/dbraw/zinc/79/35/30/650793530.db2.gz MUCWBEVKKCXOAR-CYBMUJFWSA-N 1 1 297.420 2.100 20 10 CECDMO Cc1ccc(C[N@@H+](CCO)C2CCSCC2)c(O)c1 ZINC000877574237 650795745 /nfs/dbraw/zinc/79/57/45/650795745.db2.gz ZYWNJZFBLQJWGS-UHFFFAOYSA-N 1 1 281.421 2.391 20 10 CECDMO Cc1ccc(C[N@H+]2CCC[C@H](n3ccnn3)C2)c(O)c1 ZINC000877597394 650807898 /nfs/dbraw/zinc/80/78/98/650807898.db2.gz KALZMGTUVYNSOF-AWEZNQCLSA-N 1 1 272.352 2.129 20 10 CECDMO OC1CCN(c2ccc(C[N@H+]3CC[C@H]4C[C@H]4C3)cc2)CC1 ZINC000877636375 650827752 /nfs/dbraw/zinc/82/77/52/650827752.db2.gz VJEXYABFMOHODQ-HOTGVXAUSA-N 1 1 286.419 2.490 20 10 CECDMO CN(C)c1ccc(C[N@H+]2CCC3=C(CCC(=O)N3)C2)cc1 ZINC000852295651 643383069 /nfs/dbraw/zinc/38/30/69/643383069.db2.gz GWHKEQKNFQJFRE-UHFFFAOYSA-N 1 1 285.391 2.122 20 10 CECDMO CO[C@]1(CO)CCC[N@@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000852408504 643418254 /nfs/dbraw/zinc/41/82/54/643418254.db2.gz BJNNDRYUKXMFMY-QGZVFWFLSA-N 1 1 292.423 2.034 20 10 CECDMO CN(C)c1ccc(C[N@H+]2CCC[C@](O)(C3CC3)C2)cc1 ZINC000852502083 643448041 /nfs/dbraw/zinc/44/80/41/643448041.db2.gz ZJHRRNMIPRLEST-QGZVFWFLSA-N 1 1 274.408 2.490 20 10 CECDMO Cc1cc(O)c(C[NH2+]Cc2ncc[nH]2)c(Cl)c1 ZINC000877672764 650844430 /nfs/dbraw/zinc/84/44/30/650844430.db2.gz MRPPWKKKYNPZQE-UHFFFAOYSA-N 1 1 251.717 2.367 20 10 CECDMO COC(=O)[C@@]1(C)C[N@@H+](Cc2c(O)cccc2OC)C[C@@H]1C ZINC000877666801 650841330 /nfs/dbraw/zinc/84/13/30/650841330.db2.gz NWQMRJUMPULUNO-ZBEGNZNMSA-N 1 1 293.363 2.032 20 10 CECDMO CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(C)c1O ZINC000877673706 650844827 /nfs/dbraw/zinc/84/48/27/650844827.db2.gz HJKZHDAPXLLSFA-HNNXBMFYSA-N 1 1 276.380 2.191 20 10 CECDMO Cc1cc(C[NH2+][C@@](C)(CN)C2CC2)ccc1N(C)C ZINC000923296695 643648503 /nfs/dbraw/zinc/64/85/03/643648503.db2.gz VUMWMGFAVJDGQM-INIZCTEOSA-N 1 1 261.413 2.278 20 10 CECDMO Cc1cc(O)c(C[N@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)cc1C ZINC000853554624 643811494 /nfs/dbraw/zinc/81/14/94/643811494.db2.gz BPBZBEDQWRNISE-ZFWWWQNUSA-N 1 1 288.391 2.110 20 10 CECDMO Oc1ccc2ccncc2c1C[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000853586981 643823330 /nfs/dbraw/zinc/82/33/30/643823330.db2.gz CJVYXJKYQWTKRY-KBPBESRZSA-N 1 1 284.359 2.409 20 10 CECDMO Oc1cc2c(cc1C[N@@H+]1CCc3nccnc3C1)CCC2 ZINC000853602492 643830378 /nfs/dbraw/zinc/83/03/78/643830378.db2.gz KLLLCIMEVYVBFT-UHFFFAOYSA-N 1 1 281.359 2.229 20 10 CECDMO Oc1cc2c(cc1C[N@H+]1CCc3nccnc3C1)CCC2 ZINC000853602492 643830384 /nfs/dbraw/zinc/83/03/84/643830384.db2.gz KLLLCIMEVYVBFT-UHFFFAOYSA-N 1 1 281.359 2.229 20 10 CECDMO C[N@H+](Cc1cc2c(cc1O)OC[C@@H]2O)C[C@H]1CC1(C)C ZINC000853628030 643838070 /nfs/dbraw/zinc/83/80/70/643838070.db2.gz LTVMIQXMYVUHIE-RISCZKNCSA-N 1 1 277.364 2.296 20 10 CECDMO Cc1ccc(CN2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c(O)c1 ZINC000877736936 650878850 /nfs/dbraw/zinc/87/88/50/650878850.db2.gz CAGOOHVXLXSCCA-ZFWWWQNUSA-N 1 1 260.381 2.227 20 10 CECDMO Cc1ccc(CN2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c(O)c1 ZINC000877736936 650878852 /nfs/dbraw/zinc/87/88/52/650878852.db2.gz CAGOOHVXLXSCCA-ZFWWWQNUSA-N 1 1 260.381 2.227 20 10 CECDMO COc1cc(C)cc(C[NH+]2CCN(C3CCC3)CC2)c1O ZINC000754726032 644421059 /nfs/dbraw/zinc/42/10/59/644421059.db2.gz JZGBSPJUAQGZEN-UHFFFAOYSA-N 1 1 290.407 2.379 20 10 CECDMO COc1cc(C)cc(C[N@H+]2CCC[C@H]2C[C@H](C)O)c1O ZINC000754748430 644423322 /nfs/dbraw/zinc/42/33/22/644423322.db2.gz LYVIFGNLGGFPIY-JSGCOSHPSA-N 1 1 279.380 2.445 20 10 CECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCSC)c1 ZINC000756352251 644634069 /nfs/dbraw/zinc/63/40/69/644634069.db2.gz SAXCEVJYCVRQGT-SECBINFHSA-N 1 1 269.366 2.192 20 10 CECDMO C[C@@H]([NH2+]CC(=O)NC1CCCC1)c1cc(F)cc(F)c1O ZINC000756705568 644684070 /nfs/dbraw/zinc/68/40/70/644684070.db2.gz LFOQMRXRGAXYFR-SECBINFHSA-N 1 1 298.333 2.380 20 10 CECDMO C[C@H]([NH2+]Cc1nnnn1C1CC1)c1cc(Cl)ccc1O ZINC000756732587 644687463 /nfs/dbraw/zinc/68/74/63/644687463.db2.gz MOZOWFIZAKCJJE-QMMMGPOBSA-N 1 1 293.758 2.218 20 10 CECDMO Cc1cc(O)c(C[N@H+]2CC[C@@H](CC(N)=O)C2)cc1Cl ZINC000857046012 644798578 /nfs/dbraw/zinc/79/85/78/644798578.db2.gz DYZUNVVJDVSHBE-JTQLQIEISA-N 1 1 282.771 2.051 20 10 CECDMO [NH3+][C@@]12CCC[C@H]1CN(Cc1cc(Cl)cc(F)c1O)C2 ZINC000857225949 644858360 /nfs/dbraw/zinc/85/83/60/644858360.db2.gz BOTLBDKHQQBFFF-IINYFYTJSA-N 1 1 284.762 2.498 20 10 CECDMO [NH3+][C@@]12CCC[C@@H]1CN(Cc1c(O)ccc(Cl)c1F)C2 ZINC000857226148 644858680 /nfs/dbraw/zinc/85/86/80/644858680.db2.gz FXGYTODPOUGUTD-YMTOWFKASA-N 1 1 284.762 2.498 20 10 CECDMO CN(C)c1cc(F)c(CN[C@H]2CC[N@@H+](C3CC3)C2)cc1F ZINC000858128030 645069508 /nfs/dbraw/zinc/06/95/08/645069508.db2.gz YOZUATWSLNFPJS-LBPRGKRZSA-N 1 1 295.377 2.357 20 10 CECDMO CN(C)c1cc(F)c(CN[C@H]2CC[N@H+](C3CC3)C2)cc1F ZINC000858128030 645069514 /nfs/dbraw/zinc/06/95/14/645069514.db2.gz YOZUATWSLNFPJS-LBPRGKRZSA-N 1 1 295.377 2.357 20 10 CECDMO Cc1cc(C)c(O)c(C[N@H+]2CCN3C(=O)OCC[C@@H]3C2)c1 ZINC000763312396 645532234 /nfs/dbraw/zinc/53/22/34/645532234.db2.gz ANLRUPYASUBCRK-CQSZACIVSA-N 1 1 290.363 2.036 20 10 CECDMO Cc1cc(O)c(C[N@@H+](CC(N)=O)C2CCCC2)cc1C ZINC000768256358 646100743 /nfs/dbraw/zinc/10/07/43/646100743.db2.gz CZJCIFXHTARQGD-UHFFFAOYSA-N 1 1 276.380 2.239 20 10 CECDMO C[N@H+]1CCC[C@@H]2CN(C(=O)C3=CC(=O)CS3)CC[C@H]21 ZINC000768265636 646102531 /nfs/dbraw/zinc/10/25/31/646102531.db2.gz VKWYNLKSQNWGLC-ZYHUDNBSSA-N 1 1 280.393 2.010 20 10 CECDMO CC[N@@H+](CCC(=O)OC)Cc1cc(OC)c(C)cc1O ZINC000768449665 646125456 /nfs/dbraw/zinc/12/54/56/646125456.db2.gz XUYHMSQVUCULFC-UHFFFAOYSA-N 1 1 281.352 2.094 20 10 CECDMO COc1cc(O)c(C[N@H+]2CCOC(C)(C)[C@H]2C)cc1OC ZINC000768462132 646126398 /nfs/dbraw/zinc/12/63/98/646126398.db2.gz JVPWICPDCNQUNO-LLVKDONJSA-N 1 1 295.379 2.409 20 10 CECDMO C[C@@H]1C[N@H+](Cc2cc(F)c(N(C)C)cc2F)CC[C@H]1O ZINC000862332349 646402063 /nfs/dbraw/zinc/40/20/63/646402063.db2.gz HCAVBLWOBNPMJS-MEBBXXQBSA-N 1 1 284.350 2.234 20 10 CECDMO C[C@@H]1C[N@@H+](Cc2cc(F)c(N(C)C)cc2F)CC[C@H]1O ZINC000862332349 646402066 /nfs/dbraw/zinc/40/20/66/646402066.db2.gz HCAVBLWOBNPMJS-MEBBXXQBSA-N 1 1 284.350 2.234 20 10 CECDMO CCOc1ccc(C[N@@H+]2CCO[C@H](CCF)C2)c(O)c1 ZINC000862530123 646484877 /nfs/dbraw/zinc/48/48/77/646484877.db2.gz IZQUGMFMQISUKB-CQSZACIVSA-N 1 1 283.343 2.351 20 10 CECDMO CCOc1ccc(C[N@H+]2CCO[C@H](CCF)C2)c(O)c1 ZINC000862530123 646484883 /nfs/dbraw/zinc/48/48/83/646484883.db2.gz IZQUGMFMQISUKB-CQSZACIVSA-N 1 1 283.343 2.351 20 10 CECDMO CCN(C)c1ccc(C[N@@H+](CCO)C(C)C)cc1 ZINC000773745444 646771703 /nfs/dbraw/zinc/77/17/03/646771703.db2.gz BZRVPFQBUMXPQM-UHFFFAOYSA-N 1 1 250.386 2.345 20 10 CECDMO CCN(C)c1ccc(C[N@H+]2C[C@H](C)O[C@H](COC)C2)cc1 ZINC000773888798 646784720 /nfs/dbraw/zinc/78/47/20/646784720.db2.gz OJMUBHAPMJHAIH-YOEHRIQHSA-N 1 1 292.423 2.378 20 10 CECDMO C[C@@H]([NH2+]CCOCC[NH+](C)C)c1cc(Cl)ccc1[O-] ZINC000774380644 646840870 /nfs/dbraw/zinc/84/08/70/646840870.db2.gz JTLJDLRPUBXBMH-LLVKDONJSA-N 1 1 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COc1cc(C)cc(C[N@H+]2C[C@H](C)C[C@@H](CO)C2)c1O ZINC000895033192 629805490 /nfs/dbraw/zinc/80/54/90/629805490.db2.gz GYSZGFZUNXHJQR-CHWSQXEVSA-N 1 1 279.380 2.160 20 10 CECDMO C[C@@H]([NH2+]Cc1c[nH]cn1)c1ccc(N2CCOCC2)cc1 ZINC000796451234 629908437 /nfs/dbraw/zinc/90/84/37/629908437.db2.gz UPQSJCPOEAZJML-CYBMUJFWSA-N 1 1 286.379 2.097 20 10 CECDMO COC(=O)[C@@]1(C)C[N@H+](Cc2cc(F)cc(F)c2O)C[C@@H]1C ZINC000895417638 630174946 /nfs/dbraw/zinc/17/49/46/630174946.db2.gz DHTLGGYHTMSTJY-VFZGTOFNSA-N 1 1 299.317 2.301 20 10 CECDMO COC(=O)[C@@]1(C)C[N@@H+](Cc2cc(F)cc(F)c2O)C[C@@H]1C ZINC000895417638 630174948 /nfs/dbraw/zinc/17/49/48/630174948.db2.gz DHTLGGYHTMSTJY-VFZGTOFNSA-N 1 1 299.317 2.301 20 10 CECDMO CN(C)c1ccc(CNC(=O)[C@@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC000895488371 630216330 /nfs/dbraw/zinc/21/63/30/630216330.db2.gz OTGYIQRZDCUJAA-HNNXBMFYSA-N 1 1 289.423 2.242 20 10 CECDMO CCc1cccc(C[N@H+]2CCNC(=O)CC23CCC3)c1O ZINC000895927666 630407939 /nfs/dbraw/zinc/40/79/39/630407939.db2.gz UTTJINOZNYWXJA-UHFFFAOYSA-N 1 1 288.391 2.199 20 10 CECDMO COCC1C[NH+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000895975185 630425476 /nfs/dbraw/zinc/42/54/76/630425476.db2.gz QNRRVJWUYNOHJY-UHFFFAOYSA-N 1 1 270.323 2.109 20 10 CECDMO CCCn1cc([C@@H](C)[NH2+]Cc2ccc3c(c2)CCO3)nn1 ZINC000902784087 634816237 /nfs/dbraw/zinc/81/62/37/634816237.db2.gz NTPPWSFQWPMULA-GFCCVEGCSA-N 1 1 286.379 2.474 20 10 CECDMO COc1ccc(C[N@H+]2C[C@@H](OC)CC[C@@H]2C)c(O)c1OC ZINC000896076471 630458645 /nfs/dbraw/zinc/45/86/45/630458645.db2.gz QRJTVRUFFNMVEB-AAEUAGOBSA-N 1 1 295.379 2.409 20 10 CECDMO Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@@H](C2OCCO2)C1 ZINC000896380395 630553679 /nfs/dbraw/zinc/55/36/79/630553679.db2.gz HHJASCOFHGPRMU-OAHLLOKOSA-N 1 1 290.407 2.256 20 10 CECDMO COc1ccc(O)c(C[NH2+][C@H](c2ncccn2)C2CC2)c1 ZINC000896598991 630609785 /nfs/dbraw/zinc/60/97/85/630609785.db2.gz NCTKJFHTHGBUKG-HNNXBMFYSA-N 1 1 285.347 2.432 20 10 CECDMO COC(=O)C1CCC([NH2+]Cc2c(O)cccc2F)CC1 ZINC000896637516 630620860 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/nfs/dbraw/zinc/44/17/02/631441702.db2.gz LGFYLRKTSYOFOW-JTQLQIEISA-N 1 1 273.279 2.214 20 10 CECDMO C[C@H]1CCN(Cc2cc(Cl)ccc2O)C[C@@H]1C[NH3+] ZINC000163442191 631586030 /nfs/dbraw/zinc/58/60/30/631586030.db2.gz KGHBBNJMCHHLCD-JQWIXIFHSA-N 1 1 268.788 2.462 20 10 CECDMO C[C@H]1CC[N@H+](Cc2cc(Cl)ccc2[O-])C[C@@H]1C[NH3+] ZINC000163442191 631586036 /nfs/dbraw/zinc/58/60/36/631586036.db2.gz KGHBBNJMCHHLCD-JQWIXIFHSA-N 1 1 268.788 2.462 20 10 CECDMO C[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2[O-])C[C@@H]1C[NH3+] ZINC000163442191 631586043 /nfs/dbraw/zinc/58/60/43/631586043.db2.gz KGHBBNJMCHHLCD-JQWIXIFHSA-N 1 1 268.788 2.462 20 10 CECDMO Oc1cc2c(cc1C[N@@H+](C[C@@H]1CCOC1)C1CC1)OCO2 ZINC000054495152 631601451 /nfs/dbraw/zinc/60/14/51/631601451.db2.gz LQRDBPTZQQVDSD-NSHDSACASA-N 1 1 291.347 2.122 20 10 CECDMO Cc1ccc(C[N@H+]2CCO[C@@H](c3ccnn3C)C2)c(O)c1 ZINC000897566961 631787342 /nfs/dbraw/zinc/78/73/42/631787342.db2.gz BBDPSMXBVJNRHX-MRXNPFEDSA-N 1 1 287.363 2.008 20 10 CECDMO C[C@@H](CN(C)C)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000808422950 631961641 /nfs/dbraw/zinc/96/16/41/631961641.db2.gz GZVKAYHOBFLDPU-QMMMGPOBSA-N 1 1 260.740 2.224 20 10 CECDMO COc1cccc(O)c1C[N@@H+]1C[C@H](N2CCCC2)C[C@H]1C ZINC000809703908 632130315 /nfs/dbraw/zinc/13/03/15/632130315.db2.gz RRYCHNBJOLYPPD-ZIAGYGMSSA-N 1 1 290.407 2.459 20 10 CECDMO COc1cccc(O)c1C[N@H+]1C[C@H](N2CCCC2)C[C@H]1C ZINC000809703908 632130318 /nfs/dbraw/zinc/13/03/18/632130318.db2.gz RRYCHNBJOLYPPD-ZIAGYGMSSA-N 1 1 290.407 2.459 20 10 CECDMO Cc1cccc(C[N@@H+](C)C[C@H](O)C(F)(F)F)c1O ZINC000809751620 632140370 /nfs/dbraw/zinc/14/03/70/632140370.db2.gz UKNYGRWWJTYNSS-JTQLQIEISA-N 1 1 263.259 2.056 20 10 CECDMO Cc1ccc(C[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)cn1 ZINC000841041788 632270459 /nfs/dbraw/zinc/27/04/59/632270459.db2.gz CDETVEOJHDYLAB-QGZVFWFLSA-N 1 1 284.407 2.246 20 10 CECDMO C[C@H]1CC[NH2+]C[C@H]1NCc1c(O)ccc(Cl)c1F ZINC000841057973 632360162 /nfs/dbraw/zinc/36/01/62/632360162.db2.gz CKCBNABPNZGJHB-GZMMTYOYSA-N 1 1 272.751 2.272 20 10 CECDMO Cc1cc(C[N@H+]2CC[C@H](O)[C@@H](C)C2)ccc1N(C)C ZINC000815096660 632958228 /nfs/dbraw/zinc/95/82/28/632958228.db2.gz UIZKBPIGNZDNQQ-BBRMVZONSA-N 1 1 262.397 2.264 20 10 CECDMO CCN(C)c1ccc(C[N@H+]2CC[C@@H]3CN(C)C[C@@H]32)cc1 ZINC000815120330 632963044 /nfs/dbraw/zinc/96/30/44/632963044.db2.gz GNJAIENOWRNQEE-WBVHZDCISA-N 1 1 273.424 2.279 20 10 CECDMO CCN(C)c1ccc(CN2CC[C@@H]3C[N@H+](C)C[C@@H]32)cc1 ZINC000815120330 632963047 /nfs/dbraw/zinc/96/30/47/632963047.db2.gz GNJAIENOWRNQEE-WBVHZDCISA-N 1 1 273.424 2.279 20 10 CECDMO CCN(C)c1ccc(CN2CC[C@@H]3C[N@@H+](C)C[C@@H]32)cc1 ZINC000815120330 632963050 /nfs/dbraw/zinc/96/30/50/632963050.db2.gz GNJAIENOWRNQEE-WBVHZDCISA-N 1 1 273.424 2.279 20 10 CECDMO Oc1cc(F)c(Cl)cc1C[NH2+]CCn1cccn1 ZINC000816537578 633409538 /nfs/dbraw/zinc/40/95/38/633409538.db2.gz JQWFUOONSDPHND-UHFFFAOYSA-N 1 1 269.707 2.171 20 10 CECDMO C[C@H]1C[C@H](O)C[N@@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816589427 633418670 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ZINC000817415186 633652909 /nfs/dbraw/zinc/65/29/09/633652909.db2.gz UBMNAFCUIFYCGH-YPMHNXCESA-N 1 1 265.353 2.136 20 10 CECDMO CN(C)c1ccc(CN(C)C[C@@H]2CCC[N@H+]2C)cc1F ZINC000817417942 633656033 /nfs/dbraw/zinc/65/60/33/633656033.db2.gz WZUWEPSQNOBDDJ-AWEZNQCLSA-N 1 1 279.403 2.418 20 10 CECDMO CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817957586 633799711 /nfs/dbraw/zinc/79/97/11/633799711.db2.gz DDQWFTPKSLZWIR-WDEREUQCSA-N 1 1 281.356 2.324 20 10 CECDMO C[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1cc(F)ccc1[O-] ZINC000817971954 633815718 /nfs/dbraw/zinc/81/57/18/633815718.db2.gz RYTYBINHEHKXRS-KWBADKCTSA-N 1 1 252.333 2.180 20 10 CECDMO C[C@H]1C[C@H](NC[C@@H]2C[C@H](F)C[NH2+]2)c2c1c(F)ccc2O ZINC000817977066 633819658 /nfs/dbraw/zinc/81/96/58/633819658.db2.gz ZXVCZBRIISPTSD-GMOBBJLQSA-N 1 1 282.334 2.369 20 10 CECDMO CN(Cc1ccccc1O)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC000901055243 633940680 /nfs/dbraw/zinc/94/06/80/633940680.db2.gz LBVBMYVLINBUME-GJZGRUSLSA-N 1 1 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CN(C)c1ccc(C[N@@H+](C)Cc2ccc(=O)[nH]c2)cc1 ZINC000876511990 650296850 /nfs/dbraw/zinc/29/68/50/650296850.db2.gz XSGYZIXBPPHBEU-UHFFFAOYSA-N 1 1 271.364 2.485 20 10 CECDMO [NH3+]C[C@H](NCc1ccc2c(c1)CCO2)C1CCCC1 ZINC000841087862 637582811 /nfs/dbraw/zinc/58/28/11/637582811.db2.gz RBUVSECGWLFREE-HNNXBMFYSA-N 1 1 260.381 2.229 20 10 CECDMO COCCC[N@@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876645650 650372711 /nfs/dbraw/zinc/37/27/11/650372711.db2.gz PPFIQMUHFLCZLF-UHFFFAOYSA-N 1 1 292.423 2.116 20 10 CECDMO Oc1cccc2c1[C@H]([NH2+][C@H]1CCc3cn[nH]c3C1)CC2 ZINC000834620985 637893341 /nfs/dbraw/zinc/89/33/41/637893341.db2.gz ZTXMVVSAOPZDTH-QWHCGFSZSA-N 1 1 269.348 2.250 20 10 CECDMO Cc1cccc(O)c1C[N@H+](C)Cc1nnc2ccccn21 ZINC000876655912 650381070 /nfs/dbraw/zinc/38/10/70/650381070.db2.gz YCHPZCUDOAIYSW-UHFFFAOYSA-N 1 1 282.347 2.375 20 10 CECDMO Cc1cccc(O)c1C[N@@H+](C)Cc1nnc2ccccn21 ZINC000876655912 650381073 /nfs/dbraw/zinc/38/10/73/650381073.db2.gz YCHPZCUDOAIYSW-UHFFFAOYSA-N 1 1 282.347 2.375 20 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1 1 260.381 2.223 20 10 CECDMO CN(C)c1ccc(/C=C/C[N@@H+](C)CC2CC(O)C2)cc1 ZINC000835046394 638037484 /nfs/dbraw/zinc/03/74/84/638037484.db2.gz WAXMRKOTOBGHOV-SNAWJCMRSA-N 1 1 274.408 2.469 20 10 CECDMO Cc1nc(CC[N@H+](C)Cc2c(C)cccc2O)no1 ZINC000876672248 650392863 /nfs/dbraw/zinc/39/28/63/650392863.db2.gz KYVPVKPTRWYAGG-UHFFFAOYSA-N 1 1 261.325 2.067 20 10 CECDMO COC(=O)CC[N@@H+](Cc1cc(C)cc(OC)c1O)C(C)C ZINC000164330472 639364728 /nfs/dbraw/zinc/36/47/28/639364728.db2.gz FSLLEMFUPFTKGV-UHFFFAOYSA-N 1 1 295.379 2.483 20 10 CECDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCCC2(C1)OCCO2 ZINC000840937590 639592576 /nfs/dbraw/zinc/59/25/76/639592576.db2.gz SDRISGGUCZJGJH-UHFFFAOYSA-N 1 1 290.407 2.400 20 10 CECDMO CCN(CC)c1ccc(C[N@@H+]2CCO[C@@H]([C@H](C)O)C2)cc1 ZINC000840978905 639609046 /nfs/dbraw/zinc/60/90/46/639609046.db2.gz XAXVTOBCWGPGKA-WMLDXEAASA-N 1 1 292.423 2.114 20 10 CECDMO CCN(CC)c1ccc(C[N@H+]2CCO[C@@H]([C@H](C)O)C2)cc1 ZINC000840978905 639609049 /nfs/dbraw/zinc/60/90/49/639609049.db2.gz XAXVTOBCWGPGKA-WMLDXEAASA-N 1 1 292.423 2.114 20 10 CECDMO CCOc1cccc(C[NH2+]C[C@H]2CCCCN2)c1O ZINC000841033372 639625616 /nfs/dbraw/zinc/62/56/16/639625616.db2.gz SESBBQDESRCZGS-CYBMUJFWSA-N 1 1 264.369 2.023 20 10 CECDMO Cc1cc([O-])c(C[NH2+]CC[C@H]2CC[NH2+]C2)c(Cl)c1 ZINC000841037591 639628505 /nfs/dbraw/zinc/62/85/05/639628505.db2.gz WBMBNMQFEIZMPZ-LLVKDONJSA-N 1 1 268.788 2.443 20 10 CECDMO [NH3+]CC[C@@H](NCc1c(O)ccc(Cl)c1F)C(F)F ZINC000841073268 639643635 /nfs/dbraw/zinc/64/36/35/639643635.db2.gz GPHZDRADNJPOEK-MRVPVSSYSA-N 1 1 282.693 2.257 20 10 CECDMO C[C@@H]([NH2+]Cc1cn(C)nn1)c1ccc(Cl)cc1O ZINC000841754409 639859056 /nfs/dbraw/zinc/85/90/56/639859056.db2.gz QXVZHGNXTWNLAZ-MRVPVSSYSA-N 1 1 266.732 2.025 20 10 CECDMO C[C@H]1C[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC[C@H]1[NH3+] ZINC000843053026 640255944 /nfs/dbraw/zinc/25/59/44/640255944.db2.gz XXVOGGGRBZAOAD-GZMMTYOYSA-N 1 1 299.758 2.123 20 10 CECDMO C[C@H]1C[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC[C@H]1[NH3+] ZINC000843053026 640255948 /nfs/dbraw/zinc/25/59/48/640255948.db2.gz XXVOGGGRBZAOAD-GZMMTYOYSA-N 1 1 299.758 2.123 20 10 CECDMO Cc1cc(O)c(C[N@@H+]2CCN[C@@H](C(C)C)C2)cc1C ZINC000843103928 640281325 /nfs/dbraw/zinc/28/13/25/640281325.db2.gz DZBPICLJOSKHKU-OAHLLOKOSA-N 1 1 262.397 2.439 20 10 CECDMO Cc1cc(O)c(C[N@H+]2CCN[C@@H](C(C)C)C2)cc1C ZINC000843103928 640281329 /nfs/dbraw/zinc/28/13/29/640281329.db2.gz DZBPICLJOSKHKU-OAHLLOKOSA-N 1 1 262.397 2.439 20 10 CECDMO Cc1cc(N(C)C)ccc1C[N@@H+]1CCN[C@@H](C(C)C)C1 ZINC000843105844 640282556 /nfs/dbraw/zinc/28/25/56/640282556.db2.gz XJGQCMYUZUEZJA-QGZVFWFLSA-N 1 1 275.440 2.491 20 10 CECDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCN[C@@H](C(C)C)C1 ZINC000843105844 640282559 /nfs/dbraw/zinc/28/25/59/640282559.db2.gz XJGQCMYUZUEZJA-QGZVFWFLSA-N 1 1 275.440 2.491 20 10 CECDMO Cc1cc(O)c(CN2CC[C@H]3[NH2+]CC[C@H]3C2)cc1C ZINC000843126036 640293243 /nfs/dbraw/zinc/29/32/43/640293243.db2.gz FEZDFWKHXGCKMT-DZGCQCFKSA-N 1 1 260.381 2.193 20 10 CECDMO [O-]c1c(Cl)cccc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000843127532 640294322 /nfs/dbraw/zinc/29/43/22/640294322.db2.gz SIYWXYIARAGREP-GWCFXTLKSA-N 1 1 266.772 2.229 20 10 CECDMO CC(=O)c1cc(F)cc(C[NH+]2CCC([C@H](C)[NH3+])CC2)c1[O-] ZINC000843348736 640398438 /nfs/dbraw/zinc/39/84/38/640398438.db2.gz OUOXARFYWKNDDF-JTQLQIEISA-N 1 1 294.370 2.293 20 10 CECDMO CC(=O)c1cc(Cl)cc(C[N@@H+](C)C2CC([NH3+])C2)c1[O-] ZINC000843387532 640413816 /nfs/dbraw/zinc/41/38/16/640413816.db2.gz LLLQUUGZQQBJKE-UHFFFAOYSA-N 1 1 282.771 2.170 20 10 CECDMO CC(=O)c1cc(Cl)cc(C[N@H+](C)C2CC([NH3+])C2)c1[O-] ZINC000843387532 640413818 /nfs/dbraw/zinc/41/38/18/640413818.db2.gz LLLQUUGZQQBJKE-UHFFFAOYSA-N 1 1 282.771 2.170 20 10 CECDMO CCO[C@@H]1CN(Cc2cc(Cl)cc(C)c2O)C[C@H]1C[NH3+] ZINC000844903607 640861253 /nfs/dbraw/zinc/86/12/53/640861253.db2.gz HLUFXQBGCFESJS-TZMCWYRMSA-N 1 1 298.814 2.150 20 10 CECDMO CC(C)[N@@H+](C)CCNC(=O)NCc1cc(Cl)ccc1O ZINC000844946439 640873910 /nfs/dbraw/zinc/87/39/10/640873910.db2.gz 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/nfs/dbraw/zinc/79/60/57/648796057.db2.gz XRUNLNGLSURWHX-QGZVFWFLSA-N 1 1 290.407 2.237 20 10 CECDMO COc1cc(C)cc(CN2CC[C@@]3(CC[N@H+](C)C3)C2)c1O ZINC000793770996 648796061 /nfs/dbraw/zinc/79/60/61/648796061.db2.gz XRUNLNGLSURWHX-QGZVFWFLSA-N 1 1 290.407 2.237 20 10 CECDMO COc1cc(C)cc(CN2CC[C@@]3(CC[N@@H+](C)C3)C2)c1O ZINC000793770996 648796064 /nfs/dbraw/zinc/79/60/64/648796064.db2.gz XRUNLNGLSURWHX-QGZVFWFLSA-N 1 1 290.407 2.237 20 10 CECDMO Cc1cc(C)c(O)c(C[N@H+]2CCO[C@@]3(CCO[C@@H]3C)C2)c1 ZINC000794657543 648899813 /nfs/dbraw/zinc/89/98/13/648899813.db2.gz BGXPSEDQKSTCAO-PBHICJAKSA-N 1 1 291.391 2.389 20 10 CECDMO Cc1[nH+]cc2n1CC[C@@H](C(=O)N1Cc3cccc(O)c3C1)C2 ZINC000871205218 649032394 /nfs/dbraw/zinc/03/23/94/649032394.db2.gz RUTBAVGECUAYLM-GFCCVEGCSA-N 1 1 297.358 2.002 20 10 CECDMO C[N@@H+]1CC[C@@H]2CN(Cc3cc4c(cc3O)CCC4)CC[C@@H]21 ZINC000872725576 649470222 /nfs/dbraw/zinc/47/02/22/649470222.db2.gz UOQUZFBPQWCJPC-WBVHZDCISA-N 1 1 286.419 2.407 20 10 CECDMO C[N@H+]1CC[C@@H]2CN(Cc3cc4c(cc3O)CCC4)CC[C@@H]21 ZINC000872725576 649470223 /nfs/dbraw/zinc/47/02/23/649470223.db2.gz UOQUZFBPQWCJPC-WBVHZDCISA-N 1 1 286.419 2.407 20 10 CECDMO C[C@]12C[NH2+]C[C@H]1CN(Cc1cc(Cl)cc(F)c1O)C2 ZINC000873229381 649600496 /nfs/dbraw/zinc/60/04/96/649600496.db2.gz VNMLYLXZFDVPDG-IINYFYTJSA-N 1 1 284.762 2.226 20 10 CECDMO C[C@]12C[NH2+]C[C@H]1C[N@H+](Cc1cc(Cl)cc(F)c1[O-])C2 ZINC000873229381 649600499 /nfs/dbraw/zinc/60/04/99/649600499.db2.gz VNMLYLXZFDVPDG-IINYFYTJSA-N 1 1 284.762 2.226 20 10 CECDMO C[C@]12C[NH2+]C[C@H]1C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C2 ZINC000873229381 649600500 /nfs/dbraw/zinc/60/05/00/649600500.db2.gz VNMLYLXZFDVPDG-IINYFYTJSA-N 1 1 284.762 2.226 20 10 CECDMO CCOCC[N@@H+](C)Cc1cc(F)cc(C(C)=O)c1O ZINC000127391719 651201531 /nfs/dbraw/zinc/20/15/31/651201531.db2.gz MAYUTMZNFAXVCL-UHFFFAOYSA-N 1 1 269.316 2.202 20 10 CECDMO [NH3+]C[C@H]1CCCN(Cc2c(O)cccc2Cl)C1 ZINC000128318759 651410521 /nfs/dbraw/zinc/41/05/21/651410521.db2.gz MMEXEYRPWQUEHA-SNVBAGLBSA-N 1 1 254.761 2.216 20 10 CECDMO CC[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)[C@@H](O)C(F)(F)F ZINC000883079087 652356768 /nfs/dbraw/zinc/35/67/68/652356768.db2.gz JRBRJZFYEYWYRB-MWLCHTKSSA-N 1 1 299.239 2.462 20 10 CECDMO NC(=O)[C@H]1CC[C@H](C[NH2+]Cc2cc(F)cc(F)c2O)CC1 ZINC000883147496 652379379 /nfs/dbraw/zinc/37/93/79/652379379.db2.gz XPVUQQQITQZFHW-MGCOHNPYSA-N 1 1 298.333 2.052 20 10 CECDMO C[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)[C@H](O)C(F)(F)F ZINC000883194704 652396565 /nfs/dbraw/zinc/39/65/65/652396565.db2.gz AUVKNFKTNXUHIP-FWOIEVBISA-N 1 1 285.212 2.072 20 10 CECDMO CN1CCN(c2ccc(C[NH2+]C[C@@H]3C=CCC3)cc2)CC1 ZINC000883238342 652410757 /nfs/dbraw/zinc/41/07/57/652410757.db2.gz ZCKXGFXUFFICEO-MRXNPFEDSA-N 1 1 285.435 2.494 20 10 CECDMO COc1c[nH+]c(NCCc2cc(O)c(O)cc2O)cc1C ZINC001168009066 805680340 /nfs/dbraw/zinc/68/03/40/805680340.db2.gz IIELZICMRCRYIR-UHFFFAOYSA-N 1 1 290.319 2.170 20 10 CECDMO C[NH+](C)CCC[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000160240256 806862748 /nfs/dbraw/zinc/86/27/48/806862748.db2.gz IRVIVMQINQGTHH-UHFFFAOYSA-N 1 1 256.777 2.429 20 10 CECDMO CCc1cccc(C[N@@H+](C)CCN(C)C(=O)OC)c1O ZINC000690713615 802857397 /nfs/dbraw/zinc/85/73/97/802857397.db2.gz NJHSPFHBQMSOAN-UHFFFAOYSA-N 1 1 280.368 2.085 20 10 CECDMO CC(C)(C)[N@@H+]1CC[C@H](NCc2cc(F)ccc2O)C1 ZINC000693857575 803366577 /nfs/dbraw/zinc/36/65/77/803366577.db2.gz VAJGGZVPDLPCLX-ZDUSSCGKSA-N 1 1 266.360 2.494 20 10 CECDMO CC(C)(C)[N@H+]1CC[C@H](NCc2cc(F)ccc2O)C1 ZINC000693857575 803366585 /nfs/dbraw/zinc/36/65/85/803366585.db2.gz VAJGGZVPDLPCLX-ZDUSSCGKSA-N 1 1 266.360 2.494 20 10 CECDMO COC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(O)c(C)c2O)[C@H]1C ZINC001140749231 803513963 /nfs/dbraw/zinc/51/39/63/803513963.db2.gz SFZVWPRSADQXAI-WCQYABFASA-N 1 1 293.363 2.180 20 10 CECDMO CO[C@@]1(C)C[C@H]1[NH2+]Cc1cccc(Br)c1O ZINC000694391137 803544091 /nfs/dbraw/zinc/54/40/91/803544091.db2.gz YYCQFAGDVBJTJU-PWSUYJOCSA-N 1 1 286.169 2.422 20 10 CECDMO CCOc1cccc(C[N@H+]2CC[C@@H]3COC[C@H]3C2)c1O ZINC000690799655 803616982 /nfs/dbraw/zinc/61/69/82/803616982.db2.gz RNVXJPSXECBTCK-ZIAGYGMSSA-N 1 1 277.364 2.259 20 10 CECDMO COc1cc(O)c(C[N@H+]2CCC[C@@H](O)[C@@H](C)C2)c(OC)c1 ZINC001141031857 803670017 /nfs/dbraw/zinc/67/00/17/803670017.db2.gz MVMXCGOICCCRFQ-SMDDNHRTSA-N 1 1 295.379 2.002 20 10 CECDMO Oc1cc2c(cc1O)C[N@@H+](C[C@H]1CCCOC1)CCC2 ZINC001207471869 803721016 /nfs/dbraw/zinc/72/10/16/803721016.db2.gz WIDZXGMKCGHMPO-GFCCVEGCSA-N 1 1 277.364 2.273 20 10 CECDMO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NC[C@H]1C[NH2+]CCCO1 ZINC001118122139 814986459 /nfs/dbraw/zinc/98/64/59/814986459.db2.gz PUSYVMWWCQJUSB-MCIONIFRSA-N 1 1 290.407 2.217 20 10 CECDMO COC(=O)[C@@H]1C[C@H](C)C[N@@H+](Cc2cccc(C)c2O)C1 ZINC001231594251 807177734 /nfs/dbraw/zinc/17/77/34/807177734.db2.gz ZSFFONXRNKTDJP-SMDDNHRTSA-N 1 1 277.364 2.332 20 10 CECDMO COc1cc(N(C)C)ccc1CN1CCC[C@@H]([NH3+])CC1 ZINC001205117786 807706004 /nfs/dbraw/zinc/70/60/04/807706004.db2.gz VMSQJCQPUKRJSR-CQSZACIVSA-N 1 1 277.412 2.074 20 10 CECDMO COC(=O)C[C@@H]1CCC[N@@H+](Cc2c(C)cccc2O)C1 ZINC001237492406 808221442 /nfs/dbraw/zinc/22/14/42/808221442.db2.gz OMPCQMKXSKPMSI-ZDUSSCGKSA-N 1 1 277.364 2.476 20 10 CECDMO [O-]c1c(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)ccc(F)c1F ZINC000703346875 809642710 /nfs/dbraw/zinc/64/27/10/809642710.db2.gz FQEANLVIZGDLPI-JTQLQIEISA-N 1 1 282.334 2.244 20 10 CECDMO C[N@H+](Cc1ccc(F)c(F)c1[O-])CC1CC[NH+](C)CC1 ZINC000703491564 809652438 /nfs/dbraw/zinc/65/24/38/809652438.db2.gz QLYWPTHHCJICDP-UHFFFAOYSA-N 1 1 284.350 2.444 20 10 CECDMO CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1c(O)cccc1F ZINC001137839277 809819148 /nfs/dbraw/zinc/81/91/48/809819148.db2.gz ZMBYOQAUWPWUJH-ZDUSSCGKSA-N 1 1 253.317 2.267 20 10 CECDMO CC(C)(O)[C@@H]1CCC[N@H+]1Cc1c(O)cccc1F ZINC001137839277 809819155 /nfs/dbraw/zinc/81/91/55/809819155.db2.gz ZMBYOQAUWPWUJH-ZDUSSCGKSA-N 1 1 253.317 2.267 20 10 CECDMO C[N@H+](Cc1cc(F)cc(F)c1[O-])CC1CC[NH+](C)CC1 ZINC000708432896 809931486 /nfs/dbraw/zinc/93/14/86/809931486.db2.gz FYRMTVCDSNGPCX-UHFFFAOYSA-N 1 1 284.350 2.444 20 10 CECDMO Oc1c(F)cc(F)cc1C[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000708516739 809944600 /nfs/dbraw/zinc/94/46/00/809944600.db2.gz KXDXYFNGQSPQJT-YPMHNXCESA-N 1 1 269.291 2.328 20 10 CECDMO CO[C@@H](C[NH2+]Cc1cc(F)cc(F)c1O)C(C)C ZINC000708519918 809944625 /nfs/dbraw/zinc/94/46/25/809944625.db2.gz PHUXSWOHBGHZNV-LBPRGKRZSA-N 1 1 259.296 2.431 20 10 CECDMO Oc1c(F)cc(F)cc1C[NH2+]C[C@H]1CCC=CO1 ZINC000708553366 809945886 /nfs/dbraw/zinc/94/58/86/809945886.db2.gz BMPKMMGNMYVYBH-LLVKDONJSA-N 1 1 255.264 2.453 20 10 CECDMO CCC[N@H+]1CCCC[C@H]1C(=O)NCc1ccc(N)cc1 ZINC001122536359 815422859 /nfs/dbraw/zinc/42/28/59/815422859.db2.gz ZPKJSZCWGCFJFE-HNNXBMFYSA-N 1 1 275.396 2.150 20 10 CECDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCc3cccc(O)c3C1)C2 ZINC001169153211 811415305 /nfs/dbraw/zinc/41/53/05/811415305.db2.gz HRMJRAJIJFUFBD-QDMKHBRRSA-N 1 1 272.392 2.376 20 10 CECDMO CN1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCc3cccc(O)c3C1)C2 ZINC001169153211 811415321 /nfs/dbraw/zinc/41/53/21/811415321.db2.gz HRMJRAJIJFUFBD-QDMKHBRRSA-N 1 1 272.392 2.376 20 10 CECDMO CN1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCc3cccc(O)c3C1)C2 ZINC001169153211 811415326 /nfs/dbraw/zinc/41/53/26/811415326.db2.gz HRMJRAJIJFUFBD-QDMKHBRRSA-N 1 1 272.392 2.376 20 10 CECDMO C[C@@H]([NH2+]C[C@](C)(O)C1CC1)c1ccc(F)cc1O ZINC000386613306 813185168 /nfs/dbraw/zinc/18/51/68/813185168.db2.gz KXENWSDEUVFSCV-OTYXRUKQSA-N 1 1 253.317 2.343 20 10 CECDMO COc1cc(Cl)cc(C[NH2+][C@H](C)c2nnc(C)[nH]2)c1O ZINC000392456911 813304411 /nfs/dbraw/zinc/30/44/11/813304411.db2.gz KXMWLJVXUFZRIJ-SSDOTTSWSA-N 1 1 296.758 2.332 20 10 CECDMO Cc1cccc(C[NH2+]Cc2nn(C)cc2Cl)c1O ZINC000393527166 813316403 /nfs/dbraw/zinc/31/64/03/813316403.db2.gz YCHJTCGOKUXIPW-UHFFFAOYSA-N 1 1 265.744 2.377 20 10 CECDMO Oc1cc(O)c(C[N@H+]2CCC[C@@H](F)CC2)c(O)c1 ZINC001144499422 814089980 /nfs/dbraw/zinc/08/99/80/814089980.db2.gz GIQMFALTVLLOOK-SECBINFHSA-N 1 1 255.289 2.127 20 10 CECDMO Oc1cc(O)c(C[N@H+]2CCCC(F)(F)CC2)c(O)c1 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273.336 2.135 20 10 CECDMO Oc1ccc(O)c(C[N@@H+]2CCc3cnc(C4CC4)nc3C2)c1 ZINC001141162773 816491766 /nfs/dbraw/zinc/49/17/66/816491766.db2.gz CVXHBBSTRWXYBJ-UHFFFAOYSA-N 1 1 297.358 2.324 20 10 CECDMO Oc1ccc(O)c(C[N@H+]2CCc3cnc(C4CC4)nc3C2)c1 ZINC001141162773 816491769 /nfs/dbraw/zinc/49/17/69/816491769.db2.gz CVXHBBSTRWXYBJ-UHFFFAOYSA-N 1 1 297.358 2.324 20 10 CECDMO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001142524747 816679153 /nfs/dbraw/zinc/67/91/53/816679153.db2.gz IZONQVXUAYIPQE-SNVBAGLBSA-N 1 1 299.317 2.446 20 10 CECDMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001142524747 816679159 /nfs/dbraw/zinc/67/91/59/816679159.db2.gz IZONQVXUAYIPQE-SNVBAGLBSA-N 1 1 299.317 2.446 20 10 CECDMO Oc1cc(F)c(F)cc1C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC001142524807 816681218 /nfs/dbraw/zinc/68/12/18/816681218.db2.gz LJWLKKVNKPDLOC-NSHDSACASA-N 1 1 294.305 2.099 20 10 CECDMO Oc1cc(F)c(F)cc1C[N@H+]1CCC[C@H](n2cncn2)C1 ZINC001142524807 816681221 /nfs/dbraw/zinc/68/12/21/816681221.db2.gz LJWLKKVNKPDLOC-NSHDSACASA-N 1 1 294.305 2.099 20 10 CECDMO CC(=O)[C@H]1CC[N@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001142531481 816682549 /nfs/dbraw/zinc/68/25/49/816682549.db2.gz YOQRBJXUTJZCSK-VIFPVBQESA-N 1 1 255.264 2.081 20 10 CECDMO CC(=O)[C@H]1CC[N@@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001142531481 816682552 /nfs/dbraw/zinc/68/25/52/816682552.db2.gz YOQRBJXUTJZCSK-VIFPVBQESA-N 1 1 255.264 2.081 20 10 CECDMO CC(C)(C)c1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1O ZINC001143102045 816784972 /nfs/dbraw/zinc/78/49/72/816784972.db2.gz VMPIDAJXESISQR-ZDUSSCGKSA-N 1 1 290.407 2.387 20 10 CECDMO C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)c1nncn1C ZINC000037293642 361901966 /nfs/dbraw/zinc/90/19/66/361901966.db2.gz KVZYSNHQQIYQLY-NWDGAFQWSA-N 1 1 273.384 2.293 20 10 CECDMO CN(C)c1ccc(CN2CCC[N@@H+](C)CC2)cc1F ZINC000269373471 282289477 /nfs/dbraw/zinc/28/94/77/282289477.db2.gz UUTLXKKDJJKMEW-UHFFFAOYSA-N 1 1 265.376 2.029 20 10 CECDMO COc1cccc(C[N@H+]2CCc3ccccc3[C@@H]2CO)c1O ZINC000093455542 344223939 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Cc1cc(=O)[nH]c([C@H](C)[N@@H+](C)Cc2ccccc2O)n1 ZINC000192669580 369841537 /nfs/dbraw/zinc/84/15/37/369841537.db2.gz ZXOBPHFZFKECAJ-NSHDSACASA-N 1 1 273.336 2.389 20 10 CECDMO C[N@@H+](CCO[C@H]1CCCCO1)Cc1ccccc1O ZINC000193071377 369889048 /nfs/dbraw/zinc/88/90/48/369889048.db2.gz CZNNTZZRGNMYHN-HNNXBMFYSA-N 1 1 265.353 2.367 20 10 CECDMO CC(C)[N@@H+](CCn1cncn1)Cc1ccc(N(C)C)cc1 ZINC000263892677 371953006 /nfs/dbraw/zinc/95/30/06/371953006.db2.gz SXGAVPXPRIUFOG-UHFFFAOYSA-N 1 1 287.411 2.255 20 10 CECDMO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H]2C[C@H](C)O)c1O ZINC000269865258 372582760 /nfs/dbraw/zinc/58/27/60/372582760.db2.gz XAEDWTJQQPEQQD-IINYFYTJSA-N 1 1 295.354 2.469 20 10 CECDMO NC(=O)C[C@@H]1CCC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000271189916 373171981 /nfs/dbraw/zinc/17/19/81/373171981.db2.gz PHXCAFRXPKTTSQ-JTQLQIEISA-N 1 1 282.771 2.133 20 10 CECDMO COc1ccc(O)c([C@@H](C)[N@H+]2CCOC[C@H](C)C2)c1 ZINC000366774299 373121996 /nfs/dbraw/zinc/12/19/96/373121996.db2.gz QMBPUTAQYWHSLM-VXGBXAGGSA-N 1 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/nfs/dbraw/zinc/56/99/52/635569952.db2.gz SGIVGESNUXIYNX-RDDDGLTNSA-N 1 1 259.708 2.140 20 10 CECDMO C[C@@H]1[C@H](O)CC[N@H+]1Cc1cc(Cl)c(F)cc1O ZINC000825104268 635569955 /nfs/dbraw/zinc/56/99/55/635569955.db2.gz SGIVGESNUXIYNX-RDDDGLTNSA-N 1 1 259.708 2.140 20 10 CECDMO COC[C@]1(CO)CC[N@@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000825158533 635581873 /nfs/dbraw/zinc/58/18/73/635581873.db2.gz OZDQYZMPAUHUQQ-OAHLLOKOSA-N 1 1 299.798 2.185 20 10 CECDMO Oc1ccc(Cl)c(F)c1C[NH2+]C[C@@H](O)C1CCC1 ZINC000825240648 635597183 /nfs/dbraw/zinc/59/71/83/635597183.db2.gz PQSWAFLWUWHXDC-GFCCVEGCSA-N 1 1 273.735 2.435 20 10 CECDMO COc1cccc(O)c1CN(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC000825331246 635618284 /nfs/dbraw/zinc/61/82/84/635618284.db2.gz ALMGAPIGKXXLHT-ZDUSSCGKSA-N 1 1 278.396 2.315 20 10 CECDMO COC[C@@]1(CO)CC[N@@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000826096738 635760843 /nfs/dbraw/zinc/76/08/43/635760843.db2.gz BEXRGHHAYUNINY-HNNXBMFYSA-N 1 1 299.798 2.185 20 10 CECDMO O=C1CCC2=C(CC[N@H+](Cc3c(O)cccc3Cl)C2)N1 ZINC000826780691 635844156 /nfs/dbraw/zinc/84/41/56/635844156.db2.gz OLWWVASLHXOCLY-UHFFFAOYSA-N 1 1 292.766 2.415 20 10 CECDMO Cc1ccc(O)c(C[N@H+]2CCC[C@@](O)(C3CC3)C2)c1 ZINC000827151664 636238277 /nfs/dbraw/zinc/23/82/77/636238277.db2.gz HUSJYCOREJCJPM-INIZCTEOSA-N 1 1 261.365 2.438 20 10 CECDMO CN(C)c1ccc(C[N@H+]2C[C@@H]3COC[C@@]3(C)C2)cc1F ZINC000827279938 636278167 /nfs/dbraw/zinc/27/81/67/636278167.db2.gz CAHGDDRLCWWXEV-CZUORRHYSA-N 1 1 278.371 2.360 20 10 CECDMO Cc1cccc(C[N@H+]2CC[C@H](CN3CCCC3=O)C2)c1O ZINC000827633695 636370896 /nfs/dbraw/zinc/37/08/96/636370896.db2.gz BVRBZFNOBYFOLP-AWEZNQCLSA-N 1 1 288.391 2.145 20 10 CECDMO CC(C)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000827680565 636387156 /nfs/dbraw/zinc/38/71/56/636387156.db2.gz PZCASAGFQVUIRT-CQSZACIVSA-N 1 1 276.380 2.129 20 10 CECDMO CCOc1cccc(C[N@H+]2C[C@@H](C)[C@@](C)(CO)C2)c1O ZINC000827699256 636396624 /nfs/dbraw/zinc/39/66/24/636396624.db2.gz FUMZEXZIAVVANV-MLGOLLRUSA-N 1 1 279.380 2.241 20 10 CECDMO Oc1cccc2c1[C@@H]([NH2+][C@@H]1CCc3cn[nH]c3C1)CC2 ZINC000834620984 637893114 /nfs/dbraw/zinc/89/31/14/637893114.db2.gz ZTXMVVSAOPZDTH-OLZOCXBDSA-N 1 1 269.348 2.250 20 10 CECDMO CO[C@@H]1COCC[C@H]1C[NH2+][C@H](C)c1ccc(F)cc1O ZINC000834880642 637976572 /nfs/dbraw/zinc/97/65/72/637976572.db2.gz MHNYGWNRXHRSBA-JRPNMDOOSA-N 1 1 283.343 2.233 20 10 CECDMO CC[C@H]([NH2+]C[C@@]1(C)CCC(=O)N1)c1ccc(F)cc1O ZINC000834910778 637986154 /nfs/dbraw/zinc/98/61/54/637986154.db2.gz ZISBENQQKWHHET-SWLSCSKDSA-N 1 1 280.343 2.241 20 10 CECDMO CCC[N@H+](C/C=C\c1ccc(N(C)C)cc1)CCO ZINC000835025263 638028627 /nfs/dbraw/zinc/02/86/27/638028627.db2.gz HDZQBTMJAFSCGS-WAYWQWQTSA-N 1 1 262.397 2.470 20 10 CECDMO CN(C)c1ccc(C[NH2+]C[C@H]2CCCN(C)C2)cc1 ZINC000044535799 639321936 /nfs/dbraw/zinc/32/19/36/639321936.db2.gz SKVOFSQEJFTLLW-OAHLLOKOSA-N 1 1 261.413 2.184 20 10 CECDMO CC(C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000840892046 639575333 /nfs/dbraw/zinc/57/53/33/639575333.db2.gz XKRAPBNOOYUUOR-IUCAKERBSA-N 1 1 286.322 2.234 20 10 CECDMO Cc1cc(O)c(C[N@H+]2CCC[C@H](C(N)=O)C2)c(Cl)c1 ZINC000840907746 639581563 /nfs/dbraw/zinc/58/15/63/639581563.db2.gz IJFZXVAQNWVCSD-JTQLQIEISA-N 1 1 282.771 2.051 20 10 CECDMO Cc1cc(O)c(C[N@H+]2CC[C@@H](CO)C2)c(Cl)c1 ZINC000840912184 639583399 /nfs/dbraw/zinc/58/33/99/639583399.db2.gz BYROCIMPZNRLPQ-SNVBAGLBSA-N 1 1 255.745 2.168 20 10 CECDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCNC(=O)[C@H]1C(C)C ZINC000840915018 639584565 /nfs/dbraw/zinc/58/45/65/639584565.db2.gz ZADCHUBGMXVOEH-MRXNPFEDSA-N 1 1 289.423 2.017 20 10 CECDMO Cc1cc(O)c(C[N@H+]2CCC[C@H](OCCO)C2)c(Cl)c1 ZINC000840918031 639585644 /nfs/dbraw/zinc/58/56/44/639585644.db2.gz ONKDJABAFBHFTP-LBPRGKRZSA-N 1 1 299.798 2.327 20 10 CECDMO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H](C)[C@@H]1CO ZINC000840938479 639592901 /nfs/dbraw/zinc/59/29/01/639592901.db2.gz GJRBAUYTKMJQGW-LRDDRELGSA-N 1 1 262.397 2.264 20 10 CECDMO Cc1cc(O)c(C[N@H+]2CC[C@H](C)C[C@@H]2C(N)=O)c(Cl)c1 ZINC000840939259 639593999 /nfs/dbraw/zinc/59/39/99/639593999.db2.gz LRCYKKIQUVKECI-TVQRCGJNSA-N 1 1 296.798 2.440 20 10 CECDMO Cc1cc(O)c(C[N@@H+]2CC[C@H](C)C[C@@H]2C(N)=O)c(Cl)c1 ZINC000840939259 639594001 /nfs/dbraw/zinc/59/40/01/639594001.db2.gz LRCYKKIQUVKECI-TVQRCGJNSA-N 1 1 296.798 2.440 20 10 CECDMO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)c1ncnn1C ZINC000840942078 639594995 /nfs/dbraw/zinc/59/49/95/639594995.db2.gz RNTUIPHFXCKYNA-LBPRGKRZSA-N 1 1 273.384 2.040 20 10 CECDMO [O-]c1ccc(Br)cc1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000841034440 639626144 /nfs/dbraw/zinc/62/61/44/639626144.db2.gz BDRMUMCZDDEKBB-SNVBAGLBSA-N 1 1 299.212 2.244 20 10 CECDMO COc1ccc(N2CCC(NC[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000841035015 639626804 /nfs/dbraw/zinc/62/68/04/639626804.db2.gz GNVMJELWZCYZEI-OAHLLOKOSA-N 1 1 289.423 2.006 20 10 CECDMO C[C@@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2[O-])CC[NH2+]1 ZINC000841062821 639638411 /nfs/dbraw/zinc/63/84/11/639638411.db2.gz YBAQWEMDUFOMEY-BXKDBHETSA-N 1 1 299.212 2.385 20 10 CECDMO CC[NH2+][C@H](C)CNCc1c(O)ccc(Cl)c1F ZINC000841064843 639640515 /nfs/dbraw/zinc/64/05/15/639640515.db2.gz VHGDICGXWYJLHD-MRVPVSSYSA-N 1 1 260.740 2.272 20 10 CECDMO CCN(CC)c1ccc(CN2CCCO[C@H](C[NH3+])C2)cc1 ZINC000841100962 639662557 /nfs/dbraw/zinc/66/25/57/639662557.db2.gz QCSLNHKIUDTHJF-QGZVFWFLSA-N 1 1 291.439 2.082 20 10 CECDMO C[N@@H+](CCn1cccn1)Cc1cc2c(cc1O)CCC2 ZINC000171890922 639736800 /nfs/dbraw/zinc/73/68/00/639736800.db2.gz WDZQTHROKIVHCY-UHFFFAOYSA-N 1 1 271.364 2.209 20 10 CECDMO C[C@@H]([NH2+]CCCn1cncn1)c1ccc(Cl)cc1O ZINC000841749331 639856862 /nfs/dbraw/zinc/85/68/62/639856862.db2.gz CNLMRKJLAFCCOQ-SNVBAGLBSA-N 1 1 280.759 2.378 20 10 CECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CO[C@H](C)C2)c1 ZINC000842926699 640221994 /nfs/dbraw/zinc/22/19/94/640221994.db2.gz AZPJHMXIDSULDZ-SCVCMEIPSA-N 1 1 279.336 2.007 20 10 CECDMO [NH3+]C[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000843047788 640252348 /nfs/dbraw/zinc/25/23/48/640252348.db2.gz VGTMKOIJZZQGSI-JTQLQIEISA-N 1 1 254.761 2.216 20 10 CECDMO CN(C)c1ccc(/C=C\CN2CC[C@@H](C[NH3+])C2)cc1 ZINC000843048310 640252779 /nfs/dbraw/zinc/25/27/79/640252779.db2.gz IPRHULVVUQSORL-JZIMQPMSSA-N 1 1 259.397 2.046 20 10 CECDMO Oc1c(Cl)cccc1CN1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000843054297 640257251 /nfs/dbraw/zinc/25/72/51/640257251.db2.gz JMYQKNDJRMGPSB-NEPJUHHUSA-N 1 1 266.772 2.372 20 10 CECDMO CCC[C@@H]1CNCC[N@@H+]1Cc1cccc(OCC)c1O ZINC000843057761 640259998 /nfs/dbraw/zinc/25/99/98/640259998.db2.gz HYCFLAVCBDTIHV-CQSZACIVSA-N 1 1 278.396 2.365 20 10 CECDMO CCC[C@@H]1CNCC[N@H+]1Cc1cccc(OCC)c1O ZINC000843057761 640260001 /nfs/dbraw/zinc/26/00/01/640260001.db2.gz HYCFLAVCBDTIHV-CQSZACIVSA-N 1 1 278.396 2.365 20 10 CECDMO CCC[C@H]1CNCC[N@@H+]1Cc1ccc(OCC)cc1O ZINC000843057664 640260085 /nfs/dbraw/zinc/26/00/85/640260085.db2.gz GUPKGBXSEQNXEZ-AWEZNQCLSA-N 1 1 278.396 2.365 20 10 CECDMO CCC[C@H]1CNCC[N@H+]1Cc1ccc(OCC)cc1O ZINC000843057664 640260090 /nfs/dbraw/zinc/26/00/90/640260090.db2.gz GUPKGBXSEQNXEZ-AWEZNQCLSA-N 1 1 278.396 2.365 20 10 CECDMO C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000843058484 640261135 /nfs/dbraw/zinc/26/11/35/640261135.db2.gz UIAHEKIYZLQXAF-NXEZZACHSA-N 1 1 254.761 2.215 20 10 CECDMO C[C@]1(F)C[NH2+]CCN(Cc2c(O)ccc(Cl)c2F)C1 ZINC000843125233 640292229 /nfs/dbraw/zinc/29/22/29/640292229.db2.gz ONXJIFKUKBMMND-ZDUSSCGKSA-N 1 1 290.741 2.318 20 10 CECDMO CC[NH+](CC)Cc1nc(Cc2ccc(N)cc2)no1 ZINC000843162267 640317187 /nfs/dbraw/zinc/31/71/87/640317187.db2.gz URGYVNOALYDHKI-UHFFFAOYSA-N 1 1 260.341 2.084 20 10 CECDMO COc1ccc(N(C)CC[N@H+](C)C[C@@H](C)OC)cc1 ZINC000844402464 640709295 /nfs/dbraw/zinc/70/92/95/640709295.db2.gz YJKHZBDXSQPKSR-CYBMUJFWSA-N 1 1 266.385 2.098 20 10 CECDMO Oc1ccc2ccncc2c1C[NH+]1CCN(CC2CC2)CC1 ZINC000917479450 640888062 /nfs/dbraw/zinc/88/80/62/640888062.db2.gz IUWPHFSMLXQXET-UHFFFAOYSA-N 1 1 297.402 2.468 20 10 CECDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H]2C(C)(C)O)cc1 ZINC000154448331 640900884 /nfs/dbraw/zinc/90/08/84/640900884.db2.gz FVJAGDOCNLXYPC-OAHLLOKOSA-N 1 1 262.397 2.488 20 10 CECDMO CC(C)(O)[C@H]1CCC[N@H+]1Cc1cc(F)ccc1O ZINC000154475618 640908433 /nfs/dbraw/zinc/90/84/33/640908433.db2.gz OPORVXGKDYDJFK-CYBMUJFWSA-N 1 1 253.317 2.267 20 10 CECDMO COc1ccc(N(C)Cc2c[nH+]c(N(C)C)n2C)cc1 ZINC000845997624 641148612 /nfs/dbraw/zinc/14/86/12/641148612.db2.gz AEHGDXZMBUTREO-UHFFFAOYSA-N 1 1 274.368 2.131 20 10 CECDMO CCOc1cccc(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)c1O ZINC000846113557 641188269 /nfs/dbraw/zinc/18/82/69/641188269.db2.gz YNBMVNUZZLBGJT-PHIMTYICSA-N 1 1 269.291 2.488 20 10 CECDMO COCCN(C)CCC[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846139642 641197191 /nfs/dbraw/zinc/19/71/91/641197191.db2.gz PXOLLJLNEJEHHM-CYBMUJFWSA-N 1 1 296.411 2.020 20 10 CECDMO COc1cccc([C@H](C)[NH2+][C@@H]2CCc3cn[nH]c3C2)c1O ZINC000846144267 641200328 /nfs/dbraw/zinc/20/03/28/641200328.db2.gz BXJMPEDPLYTPEZ-CMPLNLGQSA-N 1 1 287.363 2.332 20 10 CECDMO C[C@@H]([NH2+]C[C@@H]1CC(=O)N(C2CC2)C1)c1ccc(F)cc1O ZINC000846205627 641219919 /nfs/dbraw/zinc/21/99/19/641219919.db2.gz IOHVYNZRNIQFFI-MNOVXSKESA-N 1 1 292.354 2.193 20 10 CECDMO CCOc1ccc(CN2CC[C@H]([NH3+])C[C@H]2C)c(O)c1 ZINC000846699701 641400838 /nfs/dbraw/zinc/40/08/38/641400838.db2.gz VVZUCDTVXGHNJA-YPMHNXCESA-N 1 1 264.369 2.103 20 10 CECDMO C[C@@H]1C[C@H]([NH3+])CCN1Cc1cccc(Br)c1O ZINC000846698335 641401160 /nfs/dbraw/zinc/40/11/60/641401160.db2.gz FULPRVFFAUMJLL-MWLCHTKSSA-N 1 1 299.212 2.466 20 10 CECDMO Cc1cc(C[N@H+](C[C@@H](C)O)C2CC2)ccc1N(C)C ZINC000847103876 641569332 /nfs/dbraw/zinc/56/93/32/641569332.db2.gz GMVZUXPWIYOZPL-CYBMUJFWSA-N 1 1 262.397 2.406 20 10 CECDMO C[NH+]1CCC(NCc2ccc3c(c2)CCCO3)CC1 ZINC000921499425 641630634 /nfs/dbraw/zinc/63/06/34/641630634.db2.gz YNYVBNRLYJJYKJ-UHFFFAOYSA-N 1 1 260.381 2.195 20 10 CECDMO [NH3+]C[C@H](NCc1cccc(Cl)c1O)C(F)(F)F ZINC000848713965 642108231 /nfs/dbraw/zinc/10/82/31/642108231.db2.gz AMOPEKXFECRDPN-QMMMGPOBSA-N 1 1 268.666 2.025 20 10 CECDMO CCc1cccc(C[N@H+]2CCN(CC)C(=O)[C@H]2CC)c1O ZINC000848903776 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CECDMO CC[C@@H]([NH2+]CC[C@@](C)(O)COC)c1ccc(F)cc1O ZINC000834844970 637968187 /nfs/dbraw/zinc/96/81/87/637968187.db2.gz WYTMLIQWPBBRFN-UKRRQHHQSA-N 1 1 285.359 2.360 20 10 CECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC2=CCOCC2)c1 ZINC000834859989 637974193 /nfs/dbraw/zinc/97/41/93/637974193.db2.gz MNJIEZSWMSPMSJ-NSHDSACASA-N 1 1 291.347 2.176 20 10 CECDMO CN(C)c1ccc(/C=C/C[N@@H+]2CCC3(C2)OCCO3)cc1 ZINC000835029347 638030586 /nfs/dbraw/zinc/03/05/86/638030586.db2.gz WTWLOUDTWKBIQP-ONEGZZNKSA-N 1 1 288.391 2.215 20 10 CECDMO CN(C)c1ccc(/C=C/C[N@H+]2CCC3(C2)OCCO3)cc1 ZINC000835029347 638030590 /nfs/dbraw/zinc/03/05/90/638030590.db2.gz WTWLOUDTWKBIQP-ONEGZZNKSA-N 1 1 288.391 2.215 20 10 CECDMO CN(C)c1ccc(/C=C\C[N@H+]2C[C@@H]3C[C@]3(CO)C2)cc1 ZINC000835046113 638037251 /nfs/dbraw/zinc/03/72/51/638037251.db2.gz SSGKMRDBHLRIDM-OEQZANGBSA-N 1 1 272.392 2.080 20 10 CECDMO Cc1ccc(C[N@H+]2CCO[C@@H]([C@H]3CCCO3)C2)c(O)c1 ZINC000876806928 650440504 /nfs/dbraw/zinc/44/05/04/650440504.db2.gz 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QWZGHTBEIRHBDX-INIZCTEOSA-N 1 1 285.395 2.100 20 10 CECDMO Cc1cc(O)c(C[N@H+]2CC[C@H](C)C[C@H]2C(N)=O)c(Cl)c1 ZINC000840939260 639593788 /nfs/dbraw/zinc/59/37/88/639593788.db2.gz LRCYKKIQUVKECI-ZANVPECISA-N 1 1 296.798 2.440 20 10 CECDMO Cc1cc(O)c(C[N@@H+]2CC[C@H](C)C[C@H]2C(N)=O)c(Cl)c1 ZINC000840939260 639593792 /nfs/dbraw/zinc/59/37/92/639593792.db2.gz LRCYKKIQUVKECI-ZANVPECISA-N 1 1 296.798 2.440 20 10 CECDMO COc1c(O)c(C[NH2+][C@H]2CS[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000840958573 639601609 /nfs/dbraw/zinc/60/16/09/639601609.db2.gz MVFZRZVMPHVVHY-WCBMZHEXSA-N 1 1 298.364 2.293 20 10 CECDMO C[C@@H]1[C@H]([NH3+])CCN1Cc1cc(Cl)cc(F)c1O ZINC000841025030 639620132 /nfs/dbraw/zinc/62/01/32/639620132.db2.gz YCTWVBUZPMLUDP-RDDDGLTNSA-N 1 1 258.724 2.106 20 10 CECDMO CN(C)c1ccc(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1F ZINC000841030081 639622260 /nfs/dbraw/zinc/62/22/60/639622260.db2.gz JYRHMSYWDJFWBF-PBWFPOADSA-N 1 1 277.387 2.264 20 10 CECDMO CCCC[C@H](CN)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000841029806 639623054 /nfs/dbraw/zinc/62/30/54/639623054.db2.gz SKZDWKZEOCDTGF-CYBMUJFWSA-N 1 1 267.392 2.499 20 10 CECDMO Nc1ccc(CC[NH2+]C2CCN(CC3CC3)CC2)cc1 ZINC000841035205 639626755 /nfs/dbraw/zinc/62/67/55/639626755.db2.gz LOAMHJNGAHYCOD-UHFFFAOYSA-N 1 1 273.424 2.275 20 10 CECDMO COc1cc(Cl)cc(CN[C@@H]2CC[NH2+][C@@H](C)C2)c1O ZINC000841061226 639637010 /nfs/dbraw/zinc/63/70/10/639637010.db2.gz HCBSJSHTXICCGT-JOYOIKCWSA-N 1 1 284.787 2.284 20 10 CECDMO C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cc(Br)ccc1[O-] ZINC000841064677 639640022 /nfs/dbraw/zinc/64/00/22/639640022.db2.gz SMQIQUIHCXLWHV-JOYOIKCWSA-N 1 1 299.212 2.242 20 10 CECDMO CC[N@H+]1C[C@@H](C)N(C(=O)Nc2ccc(N)cc2)C[C@@H]1C ZINC000841297848 639731847 /nfs/dbraw/zinc/73/18/47/639731847.db2.gz IYEHVIURNQXSRK-NWDGAFQWSA-N 1 1 276.384 2.215 20 10 CECDMO CCCNC(=O)CC[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000062748373 639783713 /nfs/dbraw/zinc/78/37/13/639783713.db2.gz VPEKPIKBNJOAGI-JTQLQIEISA-N 1 1 268.332 2.098 20 10 CECDMO C[C@@H]1CN(Cc2cc(Cl)cc(F)c2O)CC[C@@H]1[NH3+] ZINC000843052215 640254601 /nfs/dbraw/zinc/25/46/01/640254601.db2.gz PLMIXPLVQROOPZ-PELKAZGASA-N 1 1 272.751 2.354 20 10 CECDMO C[C@@H]1C[N@H+](Cc2cc(Cl)cc(F)c2[O-])CC[C@@H]1[NH3+] ZINC000843052215 640254606 /nfs/dbraw/zinc/25/46/06/640254606.db2.gz PLMIXPLVQROOPZ-PELKAZGASA-N 1 1 272.751 2.354 20 10 CECDMO C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(F)c2[O-])CC[C@@H]1[NH3+] ZINC000843052215 640254608 /nfs/dbraw/zinc/25/46/08/640254608.db2.gz PLMIXPLVQROOPZ-PELKAZGASA-N 1 1 272.751 2.354 20 10 CECDMO Cc1cc(N(C)C)ccc1C[N@@H+]1CCNCC1(C)C ZINC000843054002 640256507 /nfs/dbraw/zinc/25/65/07/640256507.db2.gz ASCSZUVMFYYVIX-UHFFFAOYSA-N 1 1 261.413 2.245 20 10 CECDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCNCC1(C)C ZINC000843054002 640256510 /nfs/dbraw/zinc/25/65/10/640256510.db2.gz ASCSZUVMFYYVIX-UHFFFAOYSA-N 1 1 261.413 2.245 20 10 CECDMO Oc1c(F)cc(Cl)cc1CN1CC[NH2+]C[C@@H]1C(F)F ZINC000843124942 640290450 /nfs/dbraw/zinc/29/04/50/640290450.db2.gz QPVRJEIBHGLXEM-SNVBAGLBSA-N 1 1 294.704 2.224 20 10 CECDMO CN(C)c1ccc(CN2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000843123474 640291041 /nfs/dbraw/zinc/29/10/41/640291041.db2.gz JZSWGZIGMXROMT-QGZVFWFLSA-N 1 1 273.424 2.328 20 10 CECDMO CC[C@@H](C(=O)OC)[N@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844399457 640708705 /nfs/dbraw/zinc/70/87/05/640708705.db2.gz KDPCRJLBUAINLQ-HNNXBMFYSA-N 1 1 294.395 2.015 20 10 CECDMO CC[C@@H](C(=O)OC)[N@@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844399457 640708708 /nfs/dbraw/zinc/70/87/08/640708708.db2.gz KDPCRJLBUAINLQ-HNNXBMFYSA-N 1 1 294.395 2.015 20 10 CECDMO CC[C@H]1C[N@H+](Cc2cc(OC)c(OC)cc2O)[C@H](C)CO1 ZINC000844733767 640821082 /nfs/dbraw/zinc/82/10/82/640821082.db2.gz XKZOQMQLTPQQKZ-YPMHNXCESA-N 1 1 295.379 2.409 20 10 CECDMO CC[C@H]1C[N@@H+](Cc2cc(OC)c(OC)cc2O)[C@H](C)CO1 ZINC000844733767 640821086 /nfs/dbraw/zinc/82/10/86/640821086.db2.gz XKZOQMQLTPQQKZ-YPMHNXCESA-N 1 1 295.379 2.409 20 10 CECDMO [NH3+]CC1(CC[NH2+]Cc2cc(Br)ccc2[O-])CC1 ZINC000844902590 640859773 /nfs/dbraw/zinc/85/97/73/640859773.db2.gz SDKRSBQJXBIXAS-UHFFFAOYSA-N 1 1 299.212 2.373 20 10 CECDMO C[C@H](CCO)[N@H+](C)Cc1c(O)ccc(Cl)c1F ZINC000846111001 641185780 /nfs/dbraw/zinc/18/57/80/641185780.db2.gz LXCVWNUWWSMSFV-MRVPVSSYSA-N 1 1 261.724 2.387 20 10 CECDMO C[C@H](CCO)[N@@H+](C)Cc1c(O)ccc(Cl)c1F ZINC000846111001 641185784 /nfs/dbraw/zinc/18/57/84/641185784.db2.gz LXCVWNUWWSMSFV-MRVPVSSYSA-N 1 1 261.724 2.387 20 10 CECDMO COc1cccc([C@@H](C)[NH2+]C[C@@H]2CCCN(C)C2)c1O ZINC000846147746 641201563 /nfs/dbraw/zinc/20/15/63/641201563.db2.gz VIPDQCYIWSDLIL-OLZOCXBDSA-N 1 1 278.396 2.393 20 10 CECDMO CCn1nc(C)c(C[NH2+][C@H](C)c2cccc(OC)c2O)n1 ZINC000846170495 641211549 /nfs/dbraw/zinc/21/15/49/641211549.db2.gz AFNPHDFZXUZXCA-SNVBAGLBSA-N 1 1 290.367 2.171 20 10 CECDMO CC[C@H]([NH2+]CC[C@@]1(O)CCOC1)c1ccc(F)cc1O ZINC000846195133 641218995 /nfs/dbraw/zinc/21/89/95/641218995.db2.gz XHGMDCQYGBYLKS-DZGCQCFKSA-N 1 1 283.343 2.114 20 10 CECDMO Cc1[nH+]ccn1Cc1ccc(N2CCOCC2)cc1 ZINC000846745099 641409120 /nfs/dbraw/zinc/40/91/20/641409120.db2.gz AKKQTKGGWAOJIP-UHFFFAOYSA-N 1 1 257.337 2.076 20 10 CECDMO Cc1ccc(C[N@H+]2CCOCC3(CCOCC3)C2)c(O)c1 ZINC000877316992 650671400 /nfs/dbraw/zinc/67/14/00/650671400.db2.gz SLHNBMKHNVPINP-UHFFFAOYSA-N 1 1 291.391 2.330 20 10 CECDMO CC(C)(O)[C@H]1CCC[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000877322418 650675557 /nfs/dbraw/zinc/67/55/57/650675557.db2.gz GJBNAHWVUFUXQS-LLVKDONJSA-N 1 1 271.307 2.406 20 10 CECDMO CCOc1cccc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c1O ZINC000070171603 641641371 /nfs/dbraw/zinc/64/13/71/641641371.db2.gz PNSSTLQJRWWKIR-OLZOCXBDSA-N 1 1 278.396 2.350 20 10 CECDMO CC[C@@](C)(CO)[NH2+]Cc1cccc(Br)c1O ZINC000070898805 641707964 /nfs/dbraw/zinc/70/79/64/641707964.db2.gz UESPEZQGAHKVRB-LBPRGKRZSA-N 1 1 288.185 2.405 20 10 CECDMO CCc1cccc(C[N@H+]2CCC[C@]23CCOC3=O)c1O ZINC000848904181 642181140 /nfs/dbraw/zinc/18/11/40/642181140.db2.gz MUUFLKLXZSHKAM-MRXNPFEDSA-N 1 1 275.348 2.236 20 10 CECDMO CCc1cccc(C[N@H+]2C[C@H](C)O[C@]3(CCOC3)C2)c1O ZINC000848908083 642184051 /nfs/dbraw/zinc/18/40/51/642184051.db2.gz MRKSVAVDTTWLQI-SUMWQHHRSA-N 1 1 291.391 2.334 20 10 CECDMO CCOc1ccc(CNCC2([NH3+])CCCC2)c(O)c1 ZINC000849350196 642340284 /nfs/dbraw/zinc/34/02/84/642340284.db2.gz UIMMAWBPWHZITA-UHFFFAOYSA-N 1 1 264.369 2.152 20 10 CECDMO Cc1cccc(O)c1C[N@@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000877492244 650748316 /nfs/dbraw/zinc/74/83/16/650748316.db2.gz HSNKSEXXZBNMHX-CZUORRHYSA-N 1 1 277.364 2.080 20 10 CECDMO Cc1cccc(O)c1C[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000877494283 650750346 /nfs/dbraw/zinc/75/03/46/650750346.db2.gz JIMNXBDMZQKYKV-RHSMWYFYSA-N 1 1 291.391 2.471 20 10 CECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2COC(C)(C)C2)c1 ZINC000850482840 642727792 /nfs/dbraw/zinc/72/77/92/642727792.db2.gz SEZHKUMXFQPGDU-JQWIXIFHSA-N 1 1 293.363 2.397 20 10 CECDMO COc1cccc([C@H](C)[NH2+][C@@H]2C[C@@H](C)n3ncnc32)c1O ZINC000850499456 642732850 /nfs/dbraw/zinc/73/28/50/642732850.db2.gz PYBYDRZKWWWHLW-JFGNBEQYSA-N 1 1 288.351 2.349 20 10 CECDMO CC(C)[N@@H+](Cc1ccc(F)c(F)c1[O-])C1COC1 ZINC000877557842 650787967 /nfs/dbraw/zinc/78/79/67/650787967.db2.gz QRLRERUZVGDNCY-UHFFFAOYSA-N 1 1 257.280 2.280 20 10 CECDMO Cc1cccc(O)c1C[N@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000877572635 650794797 /nfs/dbraw/zinc/79/47/97/650794797.db2.gz RLQJOGLCEZSKME-ZWNOBZJWSA-N 1 1 289.297 2.446 20 10 CECDMO C[C@H](CNCc1ccc2c(c1)CCCO2)C[NH+](C)C ZINC000922140915 642902405 /nfs/dbraw/zinc/90/24/05/642902405.db2.gz UQHYZZDDHBDVEG-CYBMUJFWSA-N 1 1 262.397 2.299 20 10 CECDMO C[N@@H+](CC(=O)NCc1ccccc1)Cc1ccccc1O ZINC000109770324 642924966 /nfs/dbraw/zinc/92/49/66/642924966.db2.gz SRGIOJPFZIVACT-UHFFFAOYSA-N 1 1 284.359 2.140 20 10 CECDMO COC(OC)[C@@H](C)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000922313449 643022921 /nfs/dbraw/zinc/02/29/21/643022921.db2.gz MHCHTJLFDQNOCY-SECBINFHSA-N 1 1 288.338 2.128 20 10 CECDMO COC(=O)[C@@H]1C[N@@H+](Cc2c(C)cccc2O)C[C@H]1C1CC1 ZINC000877616171 650815818 /nfs/dbraw/zinc/81/58/18/650815818.db2.gz FECQFKMEFPKMJO-LSDHHAIUSA-N 1 1 289.375 2.332 20 10 CECDMO Cc1ccc(C[N@H+]2CC(C)(C)O[C@@H]3COC[C@H]32)c(O)c1 ZINC000877616439 650816328 /nfs/dbraw/zinc/81/63/28/650816328.db2.gz JEYOJTKLXFUMBX-UKRRQHHQSA-N 1 1 277.364 2.079 20 10 CECDMO CCN(C)c1ccc(C[N@H+]2CC[C@H](Cn3ccnn3)C2)cc1 ZINC000852313384 643389825 /nfs/dbraw/zinc/38/98/25/643389825.db2.gz HNAANFBMQKYEDD-INIZCTEOSA-N 1 1 299.422 2.256 20 10 CECDMO Cc1ccc(C[N@H+]2CCO[C@@H](CCF)C2)c(O)c1 ZINC000877656875 650836907 /nfs/dbraw/zinc/83/69/07/650836907.db2.gz CJQOCUSLBWQPAU-ZDUSSCGKSA-N 1 1 253.317 2.261 20 10 CECDMO Oc1ccc(Cl)cc1C[NH2+]Cc1noc2c1COCC2 ZINC000923014824 643512854 /nfs/dbraw/zinc/51/28/54/643512854.db2.gz FJQDUQXLEFHSJW-UHFFFAOYSA-N 1 1 294.738 2.396 20 10 CECDMO C[C@@H]1C[C@@H](C)CN(C(=O)C[N@@H+](C)Cc2ccccc2O)C1 ZINC000111236503 643734475 /nfs/dbraw/zinc/73/44/75/643734475.db2.gz NGMNSPGTJYXLGY-ZIAGYGMSSA-N 1 1 290.407 2.329 20 10 CECDMO Cc1cc(C)c(O)c(C[N@H+]2C[C@H]3COC[C@]3(C)C2)c1 ZINC000853565702 643814676 /nfs/dbraw/zinc/81/46/76/643814676.db2.gz IWQSYCMXAAUSSE-HOCLYGCPSA-N 1 1 261.365 2.477 20 10 CECDMO Cc1cc(C)c(O)c(C[N@H+]2CC[C@@H]3COC[C@@H]3C2)c1 ZINC000853584608 643823868 /nfs/dbraw/zinc/82/38/68/643823868.db2.gz AFZKRDUWTDMXBO-HIFRSBDPSA-N 1 1 261.365 2.477 20 10 CECDMO CCC[N@@H+](Cc1cnnn1CC)Cc1ccccc1O ZINC000838858676 644051571 /nfs/dbraw/zinc/05/15/71/644051571.db2.gz CPKXECFRRCQPJY-UHFFFAOYSA-N 1 1 274.368 2.416 20 10 CECDMO Cc1ccc(O)c(CN2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c1 ZINC000877742882 650887391 /nfs/dbraw/zinc/88/73/91/650887391.db2.gz GWAAMDLFVFAYKH-UKRRQHHQSA-N 1 1 260.381 2.227 20 10 CECDMO Cc1ccc(O)c(CN2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c1 ZINC000877742882 650887394 /nfs/dbraw/zinc/88/73/94/650887394.db2.gz GWAAMDLFVFAYKH-UKRRQHHQSA-N 1 1 260.381 2.227 20 10 CECDMO C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccn(C)n1 ZINC000839190931 644184990 /nfs/dbraw/zinc/18/49/90/644184990.db2.gz LKUOCMGPFDYEJG-LLVKDONJSA-N 1 1 276.359 2.476 20 10 CECDMO CCc1[nH+]ccn1Cc1ccc(N2CCOCC2)cc1 ZINC000877880754 650935973 /nfs/dbraw/zinc/93/59/73/650935973.db2.gz RHFDSXUGZRATCJ-UHFFFAOYSA-N 1 1 271.364 2.330 20 10 CECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H]2C[C@H]2C)c1 ZINC000756456344 644650520 /nfs/dbraw/zinc/65/05/20/644650520.db2.gz OHGYWIZEZGGXAZ-JFGNBEQYSA-N 1 1 263.337 2.485 20 10 CECDMO COC1CCN(CC[NH2+][C@H](C)c2ccc(F)cc2O)CC1 ZINC000756641906 644677621 /nfs/dbraw/zinc/67/76/21/644677621.db2.gz JLLGATRANICEQU-GFCCVEGCSA-N 1 1 296.386 2.293 20 10 CECDMO CCN(C)c1ccc(C[N@H+]2CC[C@H](C(=O)N(C)C)C2)cc1 ZINC000839635345 644761449 /nfs/dbraw/zinc/76/14/49/644761449.db2.gz HISQOGRCGMZUEX-HNNXBMFYSA-N 1 1 289.423 2.053 20 10 CECDMO C[C@@H]1[C@H](C)[NH2+]CCN1Cc1cccc(Br)c1O ZINC000843056856 644771232 /nfs/dbraw/zinc/77/12/32/644771232.db2.gz AZMBWBPQWOXUGE-VHSXEESVSA-N 1 1 299.212 2.337 20 10 CECDMO C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000843058487 644773471 /nfs/dbraw/zinc/77/34/71/644773471.db2.gz UIAHEKIYZLQXAF-ZJUUUORDSA-N 1 1 254.761 2.215 20 10 CECDMO OC[C@H](CC(F)F)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000758617008 644946128 /nfs/dbraw/zinc/94/61/28/644946128.db2.gz TUCBNDJJBQDZKZ-LURJTMIESA-N 1 1 283.677 2.290 20 10 CECDMO CCNC(=O)C[N@H+](C)Cc1ccc(N(CC)CC)cc1 ZINC000759641637 645056271 /nfs/dbraw/zinc/05/62/71/645056271.db2.gz DEUCRMQGOBUOTE-UHFFFAOYSA-N 1 1 277.412 2.101 20 10 CECDMO CCNC(=O)C[N@@H+](C)Cc1ccc(N(CC)CC)cc1 ZINC000759641637 645056273 /nfs/dbraw/zinc/05/62/73/645056273.db2.gz DEUCRMQGOBUOTE-UHFFFAOYSA-N 1 1 277.412 2.101 20 10 CECDMO CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000760883551 645206212 /nfs/dbraw/zinc/20/62/12/645206212.db2.gz CEIWMARKRCRJHI-VZJVUDMVSA-N 1 1 283.343 2.376 20 10 CECDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)[C@H]1CCCOC1 ZINC000764142665 645617785 /nfs/dbraw/zinc/61/77/85/645617785.db2.gz KLANTIAXVOQPCM-KRWDZBQOSA-N 1 1 290.407 2.134 20 10 CECDMO CCOc1ccc(C[N@@H+](CC)CCOC)c(O)c1 ZINC000768252542 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CCOC(=O)N1CCC[N@@H+](Cc2cccc(C)c2O)CC1 ZINC000179930141 368358794 /nfs/dbraw/zinc/35/87/94/368358794.db2.gz LPNQVXZIUHSVQM-UHFFFAOYSA-N 1 1 292.379 2.365 20 10 CECDMO Cc1cccc(C[N@@H+](C)[C@H](C)C(=O)OC(C)C)c1O ZINC000180557321 368385930 /nfs/dbraw/zinc/38/59/30/368385930.db2.gz OZXSLWHGMXWIFZ-GFCCVEGCSA-N 1 1 265.353 2.473 20 10 CECDMO Cc1cccc(C[N@H+](C)[C@H](C)C(=O)OC(C)C)c1O ZINC000180557321 368385933 /nfs/dbraw/zinc/38/59/33/368385933.db2.gz OZXSLWHGMXWIFZ-GFCCVEGCSA-N 1 1 265.353 2.473 20 10 CECDMO C[C@H]([C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1O)N1CCOCC1 ZINC000185375820 368799671 /nfs/dbraw/zinc/79/96/71/368799671.db2.gz NIPUSZWDPYICIS-RWMBFGLXSA-N 1 1 296.386 2.291 20 10 CECDMO Cc1noc(CC[NH2+][C@@H](C)c2ccc(F)cc2O)n1 ZINC000185972087 368896270 /nfs/dbraw/zinc/89/62/70/368896270.db2.gz BHTWKFVJLMHPMW-QMMMGPOBSA-N 1 1 265.288 2.116 20 10 CECDMO CC(=O)c1cc(F)cc(CN(C)CC[N@@H+](C)C2CC2)c1O ZINC000186784428 369041529 /nfs/dbraw/zinc/04/15/29/369041529.db2.gz IFKZLULDCOGYFL-UHFFFAOYSA-N 1 1 294.370 2.260 20 10 CECDMO CN(C)c1ccc(C[N@H+](Cc2cnnn2C)C2CC2)cc1 ZINC000271028943 373076993 /nfs/dbraw/zinc/07/69/93/373076993.db2.gz BKPNJBFNJYKUSV-UHFFFAOYSA-N 1 1 285.395 2.046 20 10 CECDMO CN(C)c1ccc(C[N@@H+](Cc2cnnn2C)C2CC2)cc1 ZINC000271028943 373077001 /nfs/dbraw/zinc/07/70/01/373077001.db2.gz BKPNJBFNJYKUSV-UHFFFAOYSA-N 1 1 285.395 2.046 20 10 CECDMO CC[C@H](c1ccccc1O)[N@H+]1CCCN(CC)C(=O)C1 ZINC000367309722 373147457 /nfs/dbraw/zinc/14/74/57/373147457.db2.gz YJFCXCDQKUBHQG-CQSZACIVSA-N 1 1 276.380 2.398 20 10 CECDMO CN(C)c1ccc(C[N@H+](C)Cc2cnccn2)cc1F ZINC000271202402 373176358 /nfs/dbraw/zinc/17/63/58/373176358.db2.gz RCFVXUUABNFREB-UHFFFAOYSA-N 1 1 274.343 2.314 20 10 CECDMO CN(C)c1ccc(C[N@@H+](C)Cc2cnccn2)cc1F ZINC000271202402 373176367 /nfs/dbraw/zinc/17/63/67/373176367.db2.gz RCFVXUUABNFREB-UHFFFAOYSA-N 1 1 274.343 2.314 20 10 CECDMO COc1ccc(O)c(C[N@@H+](C)[C@@H](CO)C(C)(C)C)c1 ZINC000271802397 373204140 /nfs/dbraw/zinc/20/41/40/373204140.db2.gz 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Nc1ccc(CC[NH2+][C@@H]2CCCc3[nH]ncc32)cc1 ZINC000817957994 633801338 /nfs/dbraw/zinc/80/13/38/633801338.db2.gz RWPIXDLAFRAMJO-CQSZACIVSA-N 1 1 256.353 2.202 20 10 CECDMO C[C@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc2ccccc2c1O ZINC000817977645 633821956 /nfs/dbraw/zinc/82/19/56/633821956.db2.gz MTBQIXYPIZABKG-MZORAGNBSA-N 1 1 268.360 2.414 20 10 CECDMO C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc2ccccc2c1[O-] ZINC000817977645 633821962 /nfs/dbraw/zinc/82/19/62/633821962.db2.gz MTBQIXYPIZABKG-MZORAGNBSA-N 1 1 268.360 2.414 20 10 CECDMO C[C@H](N[C@H]1C[NH2+]CCC1(F)F)c1cc(F)cc(F)c1O ZINC000817980225 633823838 /nfs/dbraw/zinc/82/38/38/633823838.db2.gz JWEZAJRLOIHDCS-CPCISQLKSA-N 1 1 292.276 2.318 20 10 CECDMO O=C(NCc1ccccc1O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000901125511 633955268 /nfs/dbraw/zinc/95/52/68/633955268.db2.gz YESIKYUBAGGYHU-ZIAGYGMSSA-N 1 1 274.364 2.025 20 10 CECDMO Oc1c(Br)cccc1C[NH2+]C[C@@H]1CCCO1 ZINC000042411724 633966538 /nfs/dbraw/zinc/96/65/38/633966538.db2.gz PHRZHHBAKQTFGT-JTQLQIEISA-N 1 1 286.169 2.423 20 10 CECDMO CC1(C)CN(Cc2cc(Cl)cc(F)c2O)C[C@@H]1[NH3+] ZINC000903986766 635405840 /nfs/dbraw/zinc/40/58/40/635405840.db2.gz RLNREMWJECEGSG-NSHDSACASA-N 1 1 272.751 2.354 20 10 CECDMO Cc1ccc(O)c(C[N@H+]2CCCC[C@H]2CS(C)(=O)=O)c1 ZINC000824914670 635524172 /nfs/dbraw/zinc/52/41/72/635524172.db2.gz XASJBHLURRDEQB-AWEZNQCLSA-N 1 1 297.420 2.100 20 10 CECDMO Cc1cc(O)c(C[N@H+]2CC[C@H](n3cncn3)C2)cc1Cl ZINC000825556657 635663666 /nfs/dbraw/zinc/66/36/66/635663666.db2.gz UDHZZZJGAQPDCR-LBPRGKRZSA-N 1 1 292.770 2.393 20 10 CECDMO Cc1ccc(O)c(C[N@H+]2CCC[C@](O)(C3CC3)C2)c1 ZINC000827151665 636237596 /nfs/dbraw/zinc/23/75/96/636237596.db2.gz HUSJYCOREJCJPM-MRXNPFEDSA-N 1 1 261.365 2.438 20 10 CECDMO Oc1c(F)cccc1C[N@@H+]1CCC[C@](O)(C2CC2)C1 ZINC000827151773 636238129 /nfs/dbraw/zinc/23/81/29/636238129.db2.gz JKSZLDYUIHPXHS-OAHLLOKOSA-N 1 1 265.328 2.268 20 10 CECDMO Oc1c(F)cccc1C[N@H+]1CCC[C@](O)(C2CC2)C1 ZINC000827151773 636238133 /nfs/dbraw/zinc/23/81/33/636238133.db2.gz JKSZLDYUIHPXHS-OAHLLOKOSA-N 1 1 265.328 2.268 20 10 CECDMO C[C@@H]1C[N@H+](Cc2c(O)cccc2Cl)C[C@H](C)[C@H]1O ZINC000827151726 636238295 /nfs/dbraw/zinc/23/82/95/636238295.db2.gz IPKNKHKWGQAMSS-MSRIBSCDSA-N 1 1 269.772 2.494 20 10 CECDMO COc1cc(Cl)cc(C[N@H+]2CCC3(COC3)C2)c1O ZINC000827642663 636373392 /nfs/dbraw/zinc/37/33/92/636373392.db2.gz AWAUBGNHFXRUPW-UHFFFAOYSA-N 1 1 283.755 2.277 20 10 CECDMO CN(C)c1ccc(/C=C/C[N@H+]2CCC3(COC3)C2)cc1 ZINC000827643324 636373537 /nfs/dbraw/zinc/37/35/37/636373537.db2.gz IHYBSDKENOVPCW-ONEGZZNKSA-N 1 1 272.392 2.488 20 10 CECDMO Oc1c(C[N@@H+]2CCc3nn[nH]c3C2)ccc2ccccc21 ZINC000827877586 636449806 /nfs/dbraw/zinc/44/98/06/636449806.db2.gz QDHSHUMPGGUOMK-UHFFFAOYSA-N 1 1 280.331 2.222 20 10 CECDMO Oc1c(C[N@H+]2CCc3nn[nH]c3C2)ccc2ccccc21 ZINC000827877586 636449809 /nfs/dbraw/zinc/44/98/09/636449809.db2.gz QDHSHUMPGGUOMK-UHFFFAOYSA-N 1 1 280.331 2.222 20 10 CECDMO COc1ccc(O)c([C@H](C)[NH2+]Cc2cn(C3CC3)nn2)c1 ZINC000906287518 636687293 /nfs/dbraw/zinc/68/72/93/636687293.db2.gz MAHRQLFBHAHVIA-JTQLQIEISA-N 1 1 288.351 2.178 20 10 CECDMO C[C@H]1CN(C(=O)C2=CC(=O)CS2)CC[N@@H+](C2CC2)C1 ZINC000832953956 637703717 /nfs/dbraw/zinc/70/37/17/637703717.db2.gz HVNVTYQKTPVBFG-SNVBAGLBSA-N 1 1 280.393 2.010 20 10 CECDMO C[C@H]1CN(C(=O)C2=CC(=O)CS2)CC[N@H+](C2CC2)C1 ZINC000832953956 637703721 /nfs/dbraw/zinc/70/37/21/637703721.db2.gz HVNVTYQKTPVBFG-SNVBAGLBSA-N 1 1 280.393 2.010 20 10 CECDMO Cc1ccc(C[N@H+]2CCC[C@H](CCC(N)=O)C2)c(O)c1 ZINC000876649795 650375944 /nfs/dbraw/zinc/37/59/44/650375944.db2.gz FWVIIGBTEFODEL-CYBMUJFWSA-N 1 1 276.380 2.178 20 10 CECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC2=CCOCC2)c1 ZINC000834859987 637974027 /nfs/dbraw/zinc/97/40/27/637974027.db2.gz MNJIEZSWMSPMSJ-LLVKDONJSA-N 1 1 291.347 2.176 20 10 CECDMO CN(C)c1ccc(/C=C\C[N@@H+](C)[C@H]2CCOC2)cc1 ZINC000835029597 638030558 /nfs/dbraw/zinc/03/05/58/638030558.db2.gz XYSWOILLOKSPQD-AWFCHZOYSA-N 1 1 260.381 2.487 20 10 CECDMO CNC(=O)[C@H](C)C[N@@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835027943 638030850 /nfs/dbraw/zinc/03/08/50/638030850.db2.gz FJVGKZOXCUJNRZ-LMVHVUTASA-N 1 1 289.423 2.080 20 10 CECDMO CO[C@@H]1C[N@@H+](C/C=C/c2ccc(N(C)C)cc2)C[C@@H]1OC ZINC000835048034 638038484 /nfs/dbraw/zinc/03/84/84/638038484.db2.gz DROQCRACGFNEHX-WZDWLKHJSA-N 1 1 290.407 2.111 20 10 CECDMO CN(C)c1ccc(/C=C\C[N@@H+]2CC[C@@](F)(CO)C2)cc1 ZINC000835049865 638038818 /nfs/dbraw/zinc/03/88/18/638038818.db2.gz MWVIEKZBADEIGN-QGZUEGPWSA-N 1 1 278.371 2.172 20 10 CECDMO CN(C)c1ccc(/C=C\C[N@H+]2CC[C@@](F)(CO)C2)cc1 ZINC000835049865 638038822 /nfs/dbraw/zinc/03/88/22/638038822.db2.gz MWVIEKZBADEIGN-QGZUEGPWSA-N 1 1 278.371 2.172 20 10 CECDMO Cc1ccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)N3C)c(O)c1 ZINC000876764497 650424525 /nfs/dbraw/zinc/42/45/25/650424525.db2.gz PUZWUEJGPJUELB-CABCVRRESA-N 1 1 260.381 2.369 20 10 CECDMO Cc1ccc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c(O)c1 ZINC000876764497 650424527 /nfs/dbraw/zinc/42/45/27/650424527.db2.gz PUZWUEJGPJUELB-CABCVRRESA-N 1 1 260.381 2.369 20 10 CECDMO Cc1ccc(CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c(O)c1 ZINC000876764497 650424529 /nfs/dbraw/zinc/42/45/29/650424529.db2.gz PUZWUEJGPJUELB-CABCVRRESA-N 1 1 260.381 2.369 20 10 CECDMO Cc1cccc(O)c1C[N@H+]1CCSC[C@H]1CCO ZINC000876806999 650440378 /nfs/dbraw/zinc/44/03/78/650440378.db2.gz XBLNUNLFLDKGLO-GFCCVEGCSA-N 1 1 267.394 2.000 20 10 CECDMO CCC[N@@H+](CCO)Cc1ccc(N(C)C)cc1C ZINC000840910960 639577711 /nfs/dbraw/zinc/57/77/11/639577711.db2.gz YNMBNAPOMPAUOK-UHFFFAOYSA-N 1 1 250.386 2.265 20 10 CECDMO Cc1cc(O)c(C[N@H+]2CCC[C@@H](O)C2)c(Cl)c1 ZINC000840908957 639581000 /nfs/dbraw/zinc/58/10/00/639581000.db2.gz ZJLAZSKJYTUOJC-SNVBAGLBSA-N 1 1 255.745 2.311 20 10 CECDMO Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000840910768 639583179 /nfs/dbraw/zinc/58/31/79/639583179.db2.gz RTBQWEPRCCADRP-DZGCQCFKSA-N 1 1 289.423 2.147 20 10 CECDMO Cc1cc(O)c(C[N@H+](C)C2CC(O)C2)c(Cl)c1 ZINC000840939387 639593828 /nfs/dbraw/zinc/59/38/28/639593828.db2.gz MFCGNFOJBGPGMV-UHFFFAOYSA-N 1 1 255.745 2.309 20 10 CECDMO [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000841031322 639622877 /nfs/dbraw/zinc/62/28/77/639622877.db2.gz ROTYXBNHUPSCTB-GWCFXTLKSA-N 1 1 252.333 2.138 20 10 CECDMO CCOCc1cc(CNC[C@H]2CCC[NH2+]C2)ccc1OC ZINC000841033011 639625234 /nfs/dbraw/zinc/62/52/34/639625234.db2.gz MBRYQJIMUVGVLO-HNNXBMFYSA-N 1 1 292.423 2.321 20 10 CECDMO CN(C)c1ccc(/C=C/CN[C@H]2CCC[NH2+]CC2)cc1 ZINC000841057509 639635701 /nfs/dbraw/zinc/63/57/01/639635701.db2.gz IXSBHOSIJRPBQB-WMHVBEDNSA-N 1 1 273.424 2.498 20 10 CECDMO Cc1cc(O)c(CNCC(F)(F)C[NH3+])c(Cl)c1 ZINC000841060395 639636461 /nfs/dbraw/zinc/63/64/61/639636461.db2.gz XYFPFSSZKMVJQT-UHFFFAOYSA-N 1 1 264.703 2.038 20 10 CECDMO CCOc1cccc(C[NH2+][C@@H]2CCCN[C@@H]2C)c1O ZINC000841064745 639639955 /nfs/dbraw/zinc/63/99/55/639639955.db2.gz INTPZVITDXENPK-DGCLKSJQSA-N 1 1 264.369 2.021 20 10 CECDMO [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2cc(Br)ccc2[O-])C1 ZINC000841084524 639650465 /nfs/dbraw/zinc/65/04/65/639650465.db2.gz KFPXFGAKUOIWCZ-SKDRFNHKSA-N 1 1 299.212 2.372 20 10 CECDMO COc1cc(O)c(C[N@H+]2CC[C@@H](OC(C)C)C2)cc1OC ZINC000842609518 640117133 /nfs/dbraw/zinc/11/71/33/640117133.db2.gz DQXRIMRMSLPVPE-CYBMUJFWSA-N 1 1 295.379 2.409 20 10 CECDMO [O-]c1c(F)cccc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000843046344 640251440 /nfs/dbraw/zinc/25/14/40/640251440.db2.gz XCUASCRFQZALRG-DOMZBBRYSA-N 1 1 278.371 2.495 20 10 CECDMO C[NH2+]C[C@@H]1CCN(C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000843052087 640255330 /nfs/dbraw/zinc/25/53/30/640255330.db2.gz FZMTYAKJEBDMOK-AWFCHZOYSA-N 1 1 273.424 2.307 20 10 CECDMO [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccc(F)c1[O-] ZINC000843053528 640256744 /nfs/dbraw/zinc/25/67/44/640256744.db2.gz AQMVSLPNWDJIOT-YHWZYXNKSA-N 1 1 264.344 2.376 20 10 CECDMO CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cccc(F)c1[O-] ZINC000843056452 640258491 /nfs/dbraw/zinc/25/84/91/640258491.db2.gz KKLIBZJTQUHSKD-ZDUSSCGKSA-N 1 1 254.349 2.337 20 10 CECDMO C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000843058521 640260851 /nfs/dbraw/zinc/26/08/51/640260851.db2.gz VBMSODVKMFUOCS-UWVGGRQHSA-N 1 1 254.761 2.215 20 10 CECDMO CCC[C@@H]1CNCC[N@@H+]1Cc1cc(OCC)ccc1O ZINC000843058657 640261954 /nfs/dbraw/zinc/26/19/54/640261954.db2.gz ZOSYJVMRTSRCBG-CQSZACIVSA-N 1 1 278.396 2.365 20 10 CECDMO CCC[C@@H]1CNCC[N@H+]1Cc1cc(OCC)ccc1O ZINC000843058657 640261958 /nfs/dbraw/zinc/26/19/58/640261958.db2.gz ZOSYJVMRTSRCBG-CQSZACIVSA-N 1 1 278.396 2.365 20 10 CECDMO CC1([NH3+])CCN(Cc2cc(Cl)cc(F)c2O)CC1 ZINC000843108036 640284131 /nfs/dbraw/zinc/28/41/31/640284131.db2.gz QXRZXHPVVFCENI-UHFFFAOYSA-N 1 1 272.751 2.498 20 10 CECDMO CCOc1ccc(CN2CC[C@]3(C2)CCC[NH2+]C3)c(O)c1 ZINC000843114477 640285053 /nfs/dbraw/zinc/28/50/53/640285053.db2.gz CPMZHYZIOHHNHH-QGZVFWFLSA-N 1 1 290.407 2.366 20 10 CECDMO CN(Cc1c(O)ccc(Cl)c1F)C1CC([NH3+])C1 ZINC000843124880 640290389 /nfs/dbraw/zinc/29/03/89/640290389.db2.gz KFVCXJDKJOHUCT-UHFFFAOYSA-N 1 1 258.724 2.106 20 10 CECDMO Cc1cc(N(C)C)ccc1CN1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000843125917 640292198 /nfs/dbraw/zinc/29/21/98/640292198.db2.gz CLJWJPXDSSWJEJ-WBVHZDCISA-N 1 1 273.424 2.245 20 10 CECDMO Oc1c(F)cccc1C[NH2+][C@@H]1COC[C@H]1C1CC1 ZINC000914435441 640407061 /nfs/dbraw/zinc/40/70/61/640407061.db2.gz DHIWVWATGCQZNV-WCQYABFASA-N 1 1 251.301 2.046 20 10 CECDMO COc1ccc(N(C)CC[N@@H+](C)C[C@@H]2CCOC2)cc1 ZINC000844399894 640708700 /nfs/dbraw/zinc/70/87/00/640708700.db2.gz RSUDAJMUNSWVJW-AWEZNQCLSA-N 1 1 278.396 2.100 20 10 CECDMO CC[C@](C)(O)C[N@@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844402930 640709037 /nfs/dbraw/zinc/70/90/37/640709037.db2.gz XDWOJNRSJXYAMT-INIZCTEOSA-N 1 1 280.412 2.224 20 10 CECDMO CCC[C@H](O)C[N@@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844402801 640709464 /nfs/dbraw/zinc/70/94/64/640709464.db2.gz WJIDERCEIRGJBC-HNNXBMFYSA-N 1 1 280.412 2.224 20 10 CECDMO COc1ccc(O)c([C@H](C)[NH2+]Cc2nccnc2OC)c1 ZINC000845972476 641142200 /nfs/dbraw/zinc/14/22/00/641142200.db2.gz 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/nfs/dbraw/zinc/20/94/73/641209473.db2.gz XUUVLRSHHIGPFU-MRVPVSSYSA-N 1 1 279.365 2.412 20 10 CECDMO CCc1cccc(C[N@@H+](C)CCN2CCCC2=O)c1O ZINC000848884406 642169410 /nfs/dbraw/zinc/16/94/10/642169410.db2.gz LANWQPCKBPRSNU-UHFFFAOYSA-N 1 1 276.380 2.009 20 10 CECDMO CCc1cccc(C[N@H+](C)C(C)(C)C(=O)OC)c1O ZINC000848885774 642170111 /nfs/dbraw/zinc/17/01/11/642170111.db2.gz RRSNGGQOLZRFCA-UHFFFAOYSA-N 1 1 265.353 2.338 20 10 CECDMO CCc1cccc(C[N@@H+](C)C(C)(C)C(=O)OC)c1O ZINC000848885774 642170117 /nfs/dbraw/zinc/17/01/17/642170117.db2.gz RRSNGGQOLZRFCA-UHFFFAOYSA-N 1 1 265.353 2.338 20 10 CECDMO CCc1cccc(C[N@H+](C)[C@H]2CC(C)(C)OC2=O)c1O ZINC000848914040 642188154 /nfs/dbraw/zinc/18/81/54/642188154.db2.gz HDPQEHASYZZVAW-ZDUSSCGKSA-N 1 1 277.364 2.481 20 10 CECDMO CCc1cccc(C[N@@H+](C)[C@H]2CC(C)(C)OC2=O)c1O ZINC000848914040 642188159 /nfs/dbraw/zinc/18/81/59/642188159.db2.gz HDPQEHASYZZVAW-ZDUSSCGKSA-N 1 1 277.364 2.481 20 10 CECDMO CCC[N@@H+](C)CC(=O)NCCCSc1nccs1 ZINC000736680503 642235204 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Oc1cc2c(cc1C[N@H+]1CCOCC3(CC3)C1)CCC2 ZINC000782298312 647610262 /nfs/dbraw/zinc/61/02/62/647610262.db2.gz SWEQIKVUNALQMY-UHFFFAOYSA-N 1 1 273.376 2.493 20 10 CECDMO OC[C@@]12C[C@@H]1C[N@@H+](Cc1ccc(N3CCCCC3)cc1)C2 ZINC000783745887 647756450 /nfs/dbraw/zinc/75/64/50/647756450.db2.gz WXPUTUNYBDOFDU-AEFFLSMTSA-N 1 1 286.419 2.491 20 10 CECDMO CC(=O)CC[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000121047216 647782187 /nfs/dbraw/zinc/78/21/87/647782187.db2.gz VANYEHGPQZVPBB-OAHLLOKOSA-N 1 1 277.364 2.352 20 10 CECDMO COC(=O)[C@H]1CC[N@@H+](Cc2cc3c(cc2O)CCC3)[C@@H]1C ZINC000787247245 648090142 /nfs/dbraw/zinc/09/01/42/648090142.db2.gz SNGYKTLNQKIRDZ-ABAIWWIYSA-N 1 1 289.375 2.264 20 10 CECDMO CCOc1ccc(O)c(C[N@@H+](CCOC)[C@H]2CCOC2)c1 ZINC000787334223 648100874 /nfs/dbraw/zinc/10/08/74/648100874.db2.gz HCFUUNRNALQJNJ-AWEZNQCLSA-N 1 1 295.379 2.028 20 10 CECDMO CCOc1cccc(C[N@H+]2CC[C@@H](C(=O)OC)[C@H]2C)c1O ZINC000787420297 648107443 /nfs/dbraw/zinc/10/74/43/648107443.db2.gz GFAYYFAZOWNGHQ-DGCLKSJQSA-N 1 1 293.363 2.174 20 10 CECDMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@H](C)c1ccccc1O ZINC000868626392 648201286 /nfs/dbraw/zinc/20/12/86/648201286.db2.gz IWMVKWVUDRHGKZ-CHWSQXEVSA-N 1 1 293.411 2.481 20 10 CECDMO Cn1cc(CC[NH2+]Cc2c(O)ccc(Cl)c2F)cn1 ZINC000790951833 648463689 /nfs/dbraw/zinc/46/36/89/648463689.db2.gz QTRYUAQJJXNFBX-UHFFFAOYSA-N 1 1 283.734 2.251 20 10 CECDMO C[C@]1([NH2+]Cc2c(O)ccc(Cl)c2F)CCOC1 ZINC000790979684 648467968 /nfs/dbraw/zinc/46/79/68/648467968.db2.gz GEYURVKVQGIJKS-LBPRGKRZSA-N 1 1 259.708 2.453 20 10 CECDMO C[C@H](C[C@H](C)O)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790986791 648468683 /nfs/dbraw/zinc/46/86/83/648468683.db2.gz VFLIXGWTQTXCOJ-SFYZADRCSA-N 1 1 261.724 2.434 20 10 CECDMO CCC[N@H+](Cc1ccccc1O)[C@H](COC)C(=O)OCC ZINC000792185974 648621339 /nfs/dbraw/zinc/62/13/39/648621339.db2.gz NIDSWSSXNMKHLO-CQSZACIVSA-N 1 1 295.379 2.182 20 10 CECDMO CCC[N@@H+](Cc1ccccc1O)[C@H](COC)C(=O)OCC ZINC000792185974 648621341 /nfs/dbraw/zinc/62/13/41/648621341.db2.gz NIDSWSSXNMKHLO-CQSZACIVSA-N 1 1 295.379 2.182 20 10 CECDMO Cc1cc(O)c(C[NH+]2C[C@@H](C)S(=O)[C@H](C)C2)cc1C ZINC000792193215 648622876 /nfs/dbraw/zinc/62/28/76/648622876.db2.gz UDMHSLZFUCPRHY-CHWSQXEVSA-N 1 1 281.421 2.350 20 10 CECDMO COc1cccc(O)c1C[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000793215939 648725114 /nfs/dbraw/zinc/72/51/14/648725114.db2.gz YPQWQWZQVATBHI-BZNIZROVSA-N 1 1 277.364 2.400 20 10 CECDMO COc1cccc(O)c1C[N@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000793215940 648725191 /nfs/dbraw/zinc/72/51/91/648725191.db2.gz YPQWQWZQVATBHI-MEDUHNTESA-N 1 1 277.364 2.400 20 10 CECDMO Fc1ncccc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000793286417 648737017 /nfs/dbraw/zinc/73/70/17/648737017.db2.gz VLXAAOLHTIVQIB-UHFFFAOYSA-N 1 1 258.296 2.445 20 10 CECDMO C[C@@H]([NH2+]CC(C)(C)N1CCN(C)CC1)c1ccccc1O ZINC000020200359 649737259 /nfs/dbraw/zinc/73/72/59/649737259.db2.gz BIROWBNXWJOSGC-CQSZACIVSA-N 1 1 291.439 2.069 20 10 CECDMO CCN(C)c1ccc(C[N@H+]2C[C@H](OC)C[C@]2(C)CO)cc1 ZINC000879262683 651272817 /nfs/dbraw/zinc/27/28/17/651272817.db2.gz XTWRTBSNIYORMC-IAGOWNOFSA-N 1 1 292.423 2.114 20 10 CECDMO CCOc1nnc(C[NH2+][C@@H](C)c2ccccc2O)s1 ZINC000879651869 651336078 /nfs/dbraw/zinc/33/60/78/651336078.db2.gz NQEKTINXTYGJFA-VIFPVBQESA-N 1 1 279.365 2.493 20 10 CECDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCSC1 ZINC000130542554 652281545 /nfs/dbraw/zinc/28/15/45/652281545.db2.gz AQKJGWYYGTWSEM-MRXNPFEDSA-N 1 1 292.448 2.461 20 10 CECDMO COC(=O)CC(C)(C)[NH2+]Cc1cc(F)cc(F)c1O ZINC000883016720 652326643 /nfs/dbraw/zinc/32/66/43/652326643.db2.gz JJLYDFIBJBZUJE-UHFFFAOYSA-N 1 1 273.279 2.102 20 10 CECDMO OC[C@H]1CC[C@H]([NH2+]Cc2cc(F)cc(F)c2O)CC1 ZINC000883041369 652341864 /nfs/dbraw/zinc/34/18/64/652341864.db2.gz KGSQOJPCJCYLAS-OTCDBFHCSA-N 1 1 271.307 2.311 20 10 CECDMO CC[C@H]([NH2+]Cc1cc(F)cc(F)c1O)[C@H](O)C(F)(F)F ZINC000883079088 652356962 /nfs/dbraw/zinc/35/69/62/652356962.db2.gz JRBRJZFYEYWYRB-ONGXEEELSA-N 1 1 299.239 2.462 20 10 CECDMO Oc1c(F)cc(F)cc1C[NH2+][C@H]1CCO[C@@]2(CCOC2)C1 ZINC000883081889 652358396 /nfs/dbraw/zinc/35/83/96/652358396.db2.gz QSZNTXKTOKOVGA-WFASDCNBSA-N 1 1 299.317 2.098 20 10 CECDMO Cc1cnc(CC[NH2+]Cc2cc(F)cc(F)c2O)cn1 ZINC000883140552 652376988 /nfs/dbraw/zinc/37/69/88/652376988.db2.gz XCVDNDYRCZLGPB-UHFFFAOYSA-N 1 1 279.290 2.101 20 10 CECDMO CCOc1cccc(C[N@@H+](C)C2CCOCC2)c1O ZINC000132326661 652513763 /nfs/dbraw/zinc/51/37/63/652513763.db2.gz RELZGDUAHAZBDX-UHFFFAOYSA-N 1 1 265.353 2.402 20 10 CECDMO C[NH+](C)CC(C)(C)NCc1ccc2c(c1)CCCO2 ZINC000698057681 806962576 /nfs/dbraw/zinc/96/25/76/806962576.db2.gz KFUTZFXMRAIHNN-UHFFFAOYSA-N 1 1 262.397 2.441 20 10 CECDMO C[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2O)[C@H]1CO ZINC001140057733 802549887 /nfs/dbraw/zinc/54/98/87/802549887.db2.gz LJOAXTFMIMDZBC-MFKMUULPSA-N 1 1 253.317 2.124 20 10 CECDMO Oc1cccc2c1C[N@H+](Cc1cccc(F)n1)CC2 ZINC001140134484 802617864 /nfs/dbraw/zinc/61/78/64/802617864.db2.gz JKSVWUARTHRASL-UHFFFAOYSA-N 1 1 258.296 2.485 20 10 CECDMO Oc1cccc2c1C[N@@H+](Cc1cccc(F)n1)CC2 ZINC001140134484 802617865 /nfs/dbraw/zinc/61/78/65/802617865.db2.gz JKSVWUARTHRASL-UHFFFAOYSA-N 1 1 258.296 2.485 20 10 CECDMO COc1ccc(N2CC[NH+](Cc3[nH]cnc3C)CC2)cc1 ZINC001204588535 803145060 /nfs/dbraw/zinc/14/50/60/803145060.db2.gz IGIXXSAXAQWRPJ-UHFFFAOYSA-N 1 1 286.379 2.049 20 10 CECDMO COc1ccc(O)c(CN[C@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000693905647 803405301 /nfs/dbraw/zinc/40/53/01/803405301.db2.gz IULXFCDWKBCYSG-ZDUSSCGKSA-N 1 1 278.396 2.363 20 10 CECDMO COc1ccc(O)c(CN[C@H]2CC[N@H+](C(C)(C)C)C2)c1 ZINC000693905647 803405307 /nfs/dbraw/zinc/40/53/07/803405307.db2.gz IULXFCDWKBCYSG-ZDUSSCGKSA-N 1 1 278.396 2.363 20 10 CECDMO COc1ccc(O)c(C[N@H+]2CC[C@H]3OCC[C@@H]3C2)c1 ZINC000724815038 803495563 /nfs/dbraw/zinc/49/55/63/803495563.db2.gz ZWURIQLTZDGMQO-IAQYHMDHSA-N 1 1 263.337 2.012 20 10 CECDMO CCN(CC)c1ccc(C[N@H+]2C[C@H](C)[C@H](O)C2)c(O)c1 ZINC001140850010 803583290 /nfs/dbraw/zinc/58/32/90/803583290.db2.gz ABZNKNBKXVXUEA-BLLLJJGKSA-N 1 1 278.396 2.051 20 10 CECDMO CCN(CC[NH+](C)C)Cc1ccc(N(C)C)c(C)c1 ZINC001139669819 815624116 /nfs/dbraw/zinc/62/41/16/815624116.db2.gz PHYKMBZMSHUMNK-UHFFFAOYSA-N 1 1 263.429 2.445 20 10 CECDMO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CC1(N)CCOCC1 ZINC001118960204 815058575 /nfs/dbraw/zinc/05/85/75/815058575.db2.gz WARHOBZGLOIZGV-OLZOCXBDSA-N 1 1 290.407 2.346 20 10 CECDMO C[C@@H](CCCO)C[NH2+]Cc1cc(F)cc(F)c1O ZINC000708495818 809944356 /nfs/dbraw/zinc/94/43/56/809944356.db2.gz FNSQKIUDYUWWCV-VIFPVBQESA-N 1 1 259.296 2.169 20 10 CECDMO OC[C@@H]1CCC[C@@H]([NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000708501060 809944538 /nfs/dbraw/zinc/94/45/38/809944538.db2.gz APTCMOLOWYXCIB-BXKDBHETSA-N 1 1 271.307 2.311 20 10 CECDMO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cn(C)cn1 ZINC000710115705 809980820 /nfs/dbraw/zinc/98/08/20/809980820.db2.gz HTPDKMYKNQTWDW-NSHDSACASA-N 1 1 257.337 2.206 20 10 CECDMO C[C@@H]1CN(Cc2ccc(N3CCCC3)cc2)CC[C@@H]1[NH3+] ZINC001118241672 810132874 /nfs/dbraw/zinc/13/28/74/810132874.db2.gz KBEZQXQIVTVVFD-PBHICJAKSA-N 1 1 273.424 2.456 20 10 CECDMO C[C@H]([NH2+]C[C@@](C)(O)C1CC1)c1ccc(F)cc1O ZINC000386613304 813185207 /nfs/dbraw/zinc/18/52/07/813185207.db2.gz KXENWSDEUVFSCV-LKFCYVNXSA-N 1 1 253.317 2.343 20 10 CECDMO CCC[N@H+](Cc1c(O)cc(O)cc1O)CC1CC1 ZINC001144499810 814089477 /nfs/dbraw/zinc/08/94/77/814089477.db2.gz JSBIUKUXJPEIFN-UHFFFAOYSA-N 1 1 251.326 2.425 20 10 CECDMO Oc1cc(O)c(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)c(O)c1 ZINC001144504365 814092748 /nfs/dbraw/zinc/09/27/48/814092748.db2.gz RAKKPKZTJTYPHQ-DTORHVGOSA-N 1 1 285.290 2.281 20 10 CECDMO Oc1cc(O)c(C[N@H+]2CC[C@]3(CC3(F)F)C2)c(O)c1 ZINC001144508913 814096415 /nfs/dbraw/zinc/09/64/15/814096415.db2.gz DBRNZFUURUFCET-LBPRGKRZSA-N 1 1 271.263 2.035 20 10 CECDMO CC[N@@H+](Cc1ccccn1)Cc1c(O)cc(O)cc1O ZINC001144514621 814098401 /nfs/dbraw/zinc/09/84/01/814098401.db2.gz MGTBMRIFFUBPMI-UHFFFAOYSA-N 1 1 274.320 2.221 20 10 CECDMO CC[N@@H+](CCN(C)C)Cc1ccc(N(C)C)c(C)c1 ZINC001139669819 815624110 /nfs/dbraw/zinc/62/41/10/815624110.db2.gz PHYKMBZMSHUMNK-UHFFFAOYSA-N 1 1 263.429 2.445 20 10 CECDMO C[N@H+]1CCN(Cc2c(O)cccc2F)CC1(C)C ZINC001137839256 815694089 /nfs/dbraw/zinc/69/40/89/815694089.db2.gz YLZQSEUHBIPGFB-UHFFFAOYSA-N 1 1 252.333 2.057 20 10 CECDMO C[N@H+]1CCC[C@H]2CN(Cc3c(O)cccc3F)C[C@H]21 ZINC001137840245 815695545 /nfs/dbraw/zinc/69/55/45/815695545.db2.gz UKTRTTVWNATNAY-SMDDNHRTSA-N 1 1 264.344 2.057 20 10 CECDMO O=c1[nH]ccc2c1CC[N@@H+](Cc1c(O)cccc1F)C2 ZINC001137840270 815695668 /nfs/dbraw/zinc/69/56/68/815695668.db2.gz VCGKYOOGBTZYMI-UHFFFAOYSA-N 1 1 274.295 2.190 20 10 CECDMO O=c1[nH]ccc2c1CC[N@H+](Cc1c(O)cccc1F)C2 ZINC001137840270 815695676 /nfs/dbraw/zinc/69/56/76/815695676.db2.gz VCGKYOOGBTZYMI-UHFFFAOYSA-N 1 1 274.295 2.190 20 10 CECDMO C[C@H]1CC(=O)CC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC001138495404 815817467 /nfs/dbraw/zinc/81/74/67/815817467.db2.gz JAKJPAYXRHRRJD-AWEZNQCLSA-N 1 1 288.391 2.077 20 10 CECDMO C[C@H]1CC(=O)CC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC001138495404 815817478 /nfs/dbraw/zinc/81/74/78/815817478.db2.gz JAKJPAYXRHRRJD-AWEZNQCLSA-N 1 1 288.391 2.077 20 10 CECDMO CCC[NH+]1C[C@@H]2C[NH+](Cc3c(F)ccc(F)c3[O-])C[C@H]2C1 ZINC001139686870 816083033 /nfs/dbraw/zinc/08/30/33/816083033.db2.gz HIIRFKASEXUJBE-VXGBXAGGSA-N 1 1 296.361 2.444 20 10 CECDMO CC[NH+]1C[C@@H]2C[NH+](Cc3c(F)ccc(F)c3[O-])C[C@H]2C1 ZINC001139690026 816085720 /nfs/dbraw/zinc/08/57/20/816085720.db2.gz MKEBSNSRPQEHEO-GHMZBOCLSA-N 1 1 282.334 2.054 20 10 CECDMO COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[N@@H+]1Cc1cc(F)ccc1O ZINC001140056113 816178901 /nfs/dbraw/zinc/17/89/01/816178901.db2.gz IMGUKVOTEHEUGK-LQJRIPTKSA-N 1 1 279.311 2.057 20 10 CECDMO COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[N@H+]1Cc1cc(F)ccc1O ZINC001140056113 816178905 /nfs/dbraw/zinc/17/89/05/816178905.db2.gz IMGUKVOTEHEUGK-LQJRIPTKSA-N 1 1 279.311 2.057 20 10 CECDMO CC[N@@H+](C)C1CCN(Cc2cc(F)ccc2O)CC1 ZINC001140060067 816180961 /nfs/dbraw/zinc/18/09/61/816180961.db2.gz JQUJSHWBASSKGV-UHFFFAOYSA-N 1 1 266.360 2.447 20 10 CECDMO CSc1ncc(C[N@H+](C)Cc2ccccc2O)c(N)n1 ZINC001140252292 816217979 /nfs/dbraw/zinc/21/79/79/816217979.db2.gz JCMLIAZUZZZZKY-UHFFFAOYSA-N 1 1 290.392 2.118 20 10 CECDMO CSc1ncc(C[N@@H+](C)Cc2ccccc2O)c(N)n1 ZINC001140252292 816217984 /nfs/dbraw/zinc/21/79/84/816217984.db2.gz JCMLIAZUZZZZKY-UHFFFAOYSA-N 1 1 290.392 2.118 20 10 CECDMO C[C@@H]1[C@H](CO)CC[N@H+]1Cc1c(O)cccc1Cl ZINC001140337948 816236302 /nfs/dbraw/zinc/23/63/02/816236302.db2.gz OGOINZAZSRHENE-ZJUUUORDSA-N 1 1 255.745 2.248 20 10 CECDMO Oc1cccc(Cl)c1C[N@@H+]1CCCC12COC2 ZINC001140341375 816237563 /nfs/dbraw/zinc/23/75/63/816237563.db2.gz KTDRALWUZUBGKE-UHFFFAOYSA-N 1 1 253.729 2.410 20 10 CECDMO Oc1cccc(Cl)c1C[N@H+]1CCCC12COC2 ZINC001140341375 816237567 /nfs/dbraw/zinc/23/75/67/816237567.db2.gz KTDRALWUZUBGKE-UHFFFAOYSA-N 1 1 253.729 2.410 20 10 CECDMO COC[C@]12COC[C@H]1C[N@@H+](Cc1c(O)cccc1Cl)C2 ZINC001140339715 816237887 /nfs/dbraw/zinc/23/78/87/816237887.db2.gz LZDMIYXYXMGJJG-IAQYHMDHSA-N 1 1 297.782 2.140 20 10 CECDMO C[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2O)C[C@@H]1O ZINC001140463272 816260888 /nfs/dbraw/zinc/26/08/88/816260888.db2.gz YKGGTFFCYJEWRG-RNCFNFMXSA-N 1 1 255.745 2.248 20 10 CECDMO C[N@H+](Cc1cnccn1)Cc1ccc(Cl)cc1O ZINC001140466996 816261996 /nfs/dbraw/zinc/26/19/96/816261996.db2.gz PHTHOFUOZQHDIW-UHFFFAOYSA-N 1 1 263.728 2.468 20 10 CECDMO C[N@@H+](Cc1cnccn1)Cc1ccc(Cl)cc1O ZINC001140466996 816262003 /nfs/dbraw/zinc/26/20/03/816262003.db2.gz PHTHOFUOZQHDIW-UHFFFAOYSA-N 1 1 263.728 2.468 20 10 CECDMO CCOC(=O)[C@H]1C[N@@H+](Cc2cc(C)ccc2O)CCS1 ZINC001140623655 816307075 /nfs/dbraw/zinc/30/70/75/816307075.db2.gz OGDNSUYQDOJOGG-CQSZACIVSA-N 1 1 295.404 2.181 20 10 CECDMO Cc1ccc(O)c(C[N@H+]2CC[C@@H](Oc3ncccn3)C2)c1 ZINC001140624018 816307249 /nfs/dbraw/zinc/30/72/49/816307249.db2.gz CAYIPHFYSMNLCK-CQSZACIVSA-N 1 1 285.347 2.144 20 10 CECDMO Cc1c(O)ccc(C[N@H+]2CCc3cccnc3C2)c1O ZINC001140748187 816341205 /nfs/dbraw/zinc/34/12/05/816341205.db2.gz UFWGRXNKRQSHAL-UHFFFAOYSA-N 1 1 270.332 2.360 20 10 CECDMO COC(=O)[C@H](C(C)C)[N@@H+](C)Cc1ccc(O)c(C)c1O ZINC001140747469 816341432 /nfs/dbraw/zinc/34/14/32/816341432.db2.gz AUHBFPLHZWKJLB-ZDUSSCGKSA-N 1 1 281.352 2.036 20 10 CECDMO Cc1c(O)ccc(C[N@@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)c1O ZINC001140747420 816342025 /nfs/dbraw/zinc/34/20/25/816342025.db2.gz CDXYOOSSUATZAX-IKARSPCKSA-N 1 1 275.348 2.015 20 10 CECDMO COC(=O)[C@H]1C[C@H](C)C[N@@H+](Cc2ccc(O)c(C)c2O)C1 ZINC001140749421 816342917 /nfs/dbraw/zinc/34/29/17/816342917.db2.gz YYLVWADWRWZGMJ-GWCFXTLKSA-N 1 1 293.363 2.037 20 10 CECDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@H](O)[C@@H](C)C2)c(O)c1 ZINC001140850982 816382271 /nfs/dbraw/zinc/38/22/71/816382271.db2.gz XMSVDNFYMWVELY-XJKSGUPXSA-N 1 1 292.423 2.441 20 10 CECDMO CCN(CC)c1ccc(C[N@@H+](C)CC(OC)OC)c(O)c1 ZINC001140855476 816382440 /nfs/dbraw/zinc/38/24/40/816382440.db2.gz AQXSVKZQGMOJNM-UHFFFAOYSA-N 1 1 296.411 2.289 20 10 CECDMO CCN(CC)c1ccc(C[N@@H+](C)CCN(C)C)c(O)c1 ZINC001140851902 816383314 /nfs/dbraw/zinc/38/33/14/816383314.db2.gz TVWYPTDCLYWJJJ-UHFFFAOYSA-N 1 1 279.428 2.232 20 10 CECDMO CCN(CC)c1ccc(CN(C)CC[NH+](C)C)c(O)c1 ZINC001140851902 816383322 /nfs/dbraw/zinc/38/33/22/816383322.db2.gz TVWYPTDCLYWJJJ-UHFFFAOYSA-N 1 1 279.428 2.232 20 10 CECDMO Cc1nccnc1C[N@H+]1CCc2cccc(O)c2C1 ZINC001140938492 816419671 /nfs/dbraw/zinc/41/96/71/816419671.db2.gz VHKJMJVDQPLCJA-UHFFFAOYSA-N 1 1 255.321 2.049 20 10 CECDMO COCCCCN1CC[NH+](Cc2ccc(C)cc2O)CC1 ZINC001140953743 816424257 /nfs/dbraw/zinc/42/42/57/816424257.db2.gz FYVPCXNNYLBZHO-UHFFFAOYSA-N 1 1 292.423 2.245 20 10 CECDMO COC(=O)[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc(C)cc1O)C2 ZINC001140957733 816426723 /nfs/dbraw/zinc/42/67/23/816426723.db2.gz MAFJZJBZGLDYLV-QEJZJMRPSA-N 1 1 289.375 2.474 20 10 CECDMO COc1cc(O)c(C[N@H+]2C[C@@H]3C[C@H]2C[C@H]3F)c(OC)c1 ZINC001141027185 816448941 /nfs/dbraw/zinc/44/89/41/816448941.db2.gz QDYBVCHWYVVTIA-OUJBWJOFSA-N 1 1 281.327 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ZINC000895565335 630257579 /nfs/dbraw/zinc/25/75/79/630257579.db2.gz YNNSWPICDHPJSN-UHFFFAOYSA-N 1 1 278.396 2.317 20 10 CECDMO O[C@@]12C[C@@H]1C[N@@H+](Cc1ccc(N3CCCCC3)cc1)C2 ZINC000895649703 630283935 /nfs/dbraw/zinc/28/39/35/630283935.db2.gz SRSFQYONMGLLTL-NVXWUHKLSA-N 1 1 272.392 2.244 20 10 CECDMO COc1cccc(O)c1C[N@H+]1CCO[C@H](C)CC1 ZINC000896586196 630605123 /nfs/dbraw/zinc/60/51/23/630605123.db2.gz XEFYOSZBPCQRFL-LLVKDONJSA-N 1 1 251.326 2.012 20 10 CECDMO Oc1cccc(F)c1C[NH2+][C@@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000896639499 630622424 /nfs/dbraw/zinc/62/24/24/630622424.db2.gz FJKIDUALJIWHLN-QWHCGFSZSA-N 1 1 299.317 2.255 20 10 CECDMO C[C@@H]([NH2+]CC1([S@](C)=O)CC1)c1cc(F)cc(F)c1O ZINC000799727417 631071737 /nfs/dbraw/zinc/07/17/37/631071737.db2.gz JNQALMCEKXEURQ-YLVJLNSGSA-N 1 1 289.347 2.232 20 10 CECDMO CN(C)c1cc(F)c(C[N@H+]2C[C@@H]3C[C@@H]3C2)cc1F ZINC000862442190 631340620 /nfs/dbraw/zinc/34/06/20/631340620.db2.gz BEJLXCVUPJNENU-AOOOYVTPSA-N 1 1 252.308 2.483 20 10 CECDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@](F)(CO)C2)cc1 ZINC000802660782 631442484 /nfs/dbraw/zinc/44/24/84/631442484.db2.gz WGXCVVNVGKLYDQ-INIZCTEOSA-N 1 1 280.387 2.439 20 10 CECDMO Oc1ccc(F)cc1C[N@H+]1CC[C@H](OC(F)F)C1 ZINC000802659279 631442617 /nfs/dbraw/zinc/44/26/17/631442617.db2.gz ZLWDYYUQUHYKJP-JTQLQIEISA-N 1 1 261.243 2.345 20 10 CECDMO C[C@@H](NC(=O)NCC[N@H+]1CCC[C@@H]1C)c1ccccc1O ZINC000897518235 631612215 /nfs/dbraw/zinc/61/22/15/631612215.db2.gz HVINPPGMCYLDJC-QWHCGFSZSA-N 1 1 291.395 2.237 20 10 CECDMO CC[C@H]([NH2+]Cc1cnn(C)n1)c1cc(Cl)ccc1O ZINC000806168679 631723052 /nfs/dbraw/zinc/72/30/52/631723052.db2.gz WRQJDZJDRGSGAR-LBPRGKRZSA-N 1 1 280.759 2.415 20 10 CECDMO CC1(C)CC[N@@H+](Cc2cccc(F)c2[O-])CC[S@@]1=O ZINC000322101101 631723044 /nfs/dbraw/zinc/72/30/44/631723044.db2.gz JFZJLATVLMETIR-IBGZPJMESA-N 1 1 285.384 2.264 20 10 CECDMO Cc1cc(O)c(CN(C)CCC[NH+](C)C)cc1C ZINC000809729936 632133108 /nfs/dbraw/zinc/13/31/08/632133108.db2.gz TUVYAAVECDOLDY-UHFFFAOYSA-N 1 1 250.386 2.393 20 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273.424 2.496 20 10 CECDMO C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1cc(Cl)ccc1[O-] ZINC000873252040 632415969 /nfs/dbraw/zinc/41/59/69/632415969.db2.gz OXCPEWQXFFJOAW-KKZNHRDASA-N 1 1 254.761 2.434 20 10 CECDMO CCc1cccc(C[N@H+]2CCCNC(=O)[C@H]2CC)c1O ZINC000898547953 632534064 /nfs/dbraw/zinc/53/40/64/632534064.db2.gz NTPVUOKVDKRRFJ-CQSZACIVSA-N 1 1 276.380 2.055 20 10 CECDMO CC[N@H+](Cc1c(O)ccc(Cl)c1F)[C@H](C)CO ZINC000814169621 632797531 /nfs/dbraw/zinc/79/75/31/632797531.db2.gz KOWOFAZXNFTPJW-MRVPVSSYSA-N 1 1 261.724 2.387 20 10 CECDMO CC[N@@H+](Cc1c(O)ccc(Cl)c1F)[C@H](C)CO ZINC000814169621 632797534 /nfs/dbraw/zinc/79/75/34/632797534.db2.gz KOWOFAZXNFTPJW-MRVPVSSYSA-N 1 1 261.724 2.387 20 10 CECDMO CN(C)c1ccc(CN2CC[C@H]3C[N@@H+](C)C[C@@H]32)cc1F ZINC000814173538 632798636 /nfs/dbraw/zinc/79/86/36/632798636.db2.gz MRFYJYZRANIRLK-BBRMVZONSA-N 1 1 277.387 2.028 20 10 CECDMO Cc1cc(C[N@@H+](C)CC(=O)NC(C)(C)C)ccc1N(C)C ZINC000815012996 632949467 /nfs/dbraw/zinc/94/94/67/632949467.db2.gz OZUKEKVGRKXBCD-UHFFFAOYSA-N 1 1 291.439 2.408 20 10 CECDMO Cc1cc(C[NH+]2CCN(CC(F)F)CC2)ccc1N(C)C ZINC000815029472 632951307 /nfs/dbraw/zinc/95/13/07/632951307.db2.gz URCOQRCNBMDTEV-UHFFFAOYSA-N 1 1 297.393 2.444 20 10 CECDMO Cc1cc(C[N@H+]2CCC[C@@]2(C)CO)ccc1N(C)C ZINC000815093032 632957354 /nfs/dbraw/zinc/95/73/54/632957354.db2.gz ZTBQAWFDQRBNHQ-INIZCTEOSA-N 1 1 262.397 2.408 20 10 CECDMO COCC[N@@H+](Cc1ccc(N(C)C)c(C)c1)[C@H]1CCOC1 ZINC000815104332 632960760 /nfs/dbraw/zinc/96/07/60/632960760.db2.gz IDUVJEHEXDAZPJ-INIZCTEOSA-N 1 1 292.423 2.298 20 10 CECDMO Cn1ncc(C[NH2+]Cc2ccc3c(c2)CCO3)c1Cl ZINC000815122406 632964222 /nfs/dbraw/zinc/96/42/22/632964222.db2.gz LERNBTGAELMMBA-UHFFFAOYSA-N 1 1 277.755 2.298 20 10 CECDMO COc1ccc(N2CC[NH+](Cc3conc3C)CC2)cc1 ZINC000816481447 633397155 /nfs/dbraw/zinc/39/71/55/633397155.db2.gz WSYRDFDPHALUCK-UHFFFAOYSA-N 1 1 287.363 2.314 20 10 CECDMO OC[C@@H](CC1CC1)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816558759 633412977 /nfs/dbraw/zinc/41/29/77/633412977.db2.gz KRVUTRPVKMLYPD-SNVBAGLBSA-N 1 1 273.735 2.435 20 10 CECDMO C[C@]1(C(N)=O)CC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816597407 633418961 /nfs/dbraw/zinc/41/89/61/633418961.db2.gz QOBNTQLZDWPJMR-KRWDZBQOSA-N 1 1 284.359 2.243 20 10 CECDMO C[C@@H]1C[C@H](CO)C[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000817413328 633652258 /nfs/dbraw/zinc/65/22/58/633652258.db2.gz WKPKYSJEJLZCIT-MNOVXSKESA-N 1 1 269.772 2.496 20 10 CECDMO CCOc1ccc(O)c(C[N@H+]2C[C@@H](O)CC[C@@H]2C)c1 ZINC000817415183 633653859 /nfs/dbraw/zinc/65/38/59/633653859.db2.gz UBMNAFCUIFYCGH-AAEUAGOBSA-N 1 1 265.353 2.136 20 10 CECDMO C[C@H]([NH2+]CC1CC[NH2+]CC1)c1cc(F)ccc1[O-] ZINC000817941128 633789929 /nfs/dbraw/zinc/78/99/29/633789929.db2.gz MSFXMFCROWYLGG-JTQLQIEISA-N 1 1 252.333 2.182 20 10 CECDMO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCCCN2)c1 ZINC000817949871 633794763 /nfs/dbraw/zinc/79/47/63/633794763.db2.gz OMHAWZBAXBPGHZ-VXGBXAGGSA-N 1 1 264.369 2.194 20 10 CECDMO C[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1cc(Br)ccc1[O-] ZINC000817962010 633804592 /nfs/dbraw/zinc/80/45/92/633804592.db2.gz GKGAEOKDJSLNAJ-DTWKUNHWSA-N 1 1 287.201 2.400 20 10 CECDMO C[C@@H](C[NH3+])[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000817970283 633814264 /nfs/dbraw/zinc/81/42/64/633814264.db2.gz QNDSMZWLMLDLEB-BQBZGAKWSA-N 1 1 291.164 2.292 20 10 CECDMO COCC1(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])CC[NH2+]CC1 ZINC000817975292 633818558 /nfs/dbraw/zinc/81/85/58/633818558.db2.gz STNNAKCYPJFJDR-LBPRGKRZSA-N 1 1 296.386 2.198 20 10 CECDMO CCN(C)c1ccc([C@@H](C)NC[C@@H]2C[C@H](F)C[NH2+]2)cc1 ZINC000817976707 633819993 /nfs/dbraw/zinc/81/99/93/633819993.db2.gz RXNXEOWKHZFZCS-SNPRPXQTSA-N 1 1 279.403 2.493 20 10 CECDMO CN(C)c1ccc(CN2CCC[C@H]3C[N@@H+](C)C[C@H]32)cc1F ZINC000822520998 634936438 /nfs/dbraw/zinc/93/64/38/634936438.db2.gz VCEXHCYOCIMFDO-WMLDXEAASA-N 1 1 291.414 2.418 20 10 CECDMO CC(C)([NH3+])CC[NH2+]Cc1cc(Br)ccc1[O-] ZINC000903939231 635351906 /nfs/dbraw/zinc/35/19/06/635351906.db2.gz XBPJBGVYKPPJKX-UHFFFAOYSA-N 1 1 287.201 2.372 20 10 CECDMO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cc(N)ccn1 ZINC000903953205 635386513 /nfs/dbraw/zinc/38/65/13/635386513.db2.gz CHJNCZZVYRNMTM-UHFFFAOYSA-N 1 1 270.380 2.328 20 10 CECDMO Cc1cc(O)c(C[NH2+]C[C@H]2CNCCC2(F)F)cc1C ZINC000903955472 635389488 /nfs/dbraw/zinc/38/94/88/635389488.db2.gz SLGPKRPDPBBNHB-CYBMUJFWSA-N 1 1 284.350 2.343 20 10 CECDMO Cc1cc(O)c(C[N@@H+]2C[C@H](C(N)=O)CC[C@@H]2C)cc1Cl ZINC000824575869 635454818 /nfs/dbraw/zinc/45/48/18/635454818.db2.gz SMTBUAYEVCWKIP-WDEREUQCSA-N 1 1 296.798 2.440 20 10 CECDMO CCC1([NH2+]Cc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC000824620439 635464805 /nfs/dbraw/zinc/46/48/05/635464805.db2.gz OQAPAUMMFJBPJD-UHFFFAOYSA-N 1 1 273.424 2.471 20 10 CECDMO Cc1cc(O)c(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)cc1Cl ZINC000824650904 635469369 /nfs/dbraw/zinc/46/93/69/635469369.db2.gz YMVYPLVXDXHRFK-GFCCVEGCSA-N 1 1 294.782 2.161 20 10 CECDMO Cc1cc(O)c(C[N@H+]2CCN3C(=O)CC[C@@H]3C2)cc1Cl ZINC000824650904 635469376 /nfs/dbraw/zinc/46/93/76/635469376.db2.gz YMVYPLVXDXHRFK-GFCCVEGCSA-N 1 1 294.782 2.161 20 10 CECDMO C[C@@H]1C[C@H](O)C[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000825316907 635613212 /nfs/dbraw/zinc/61/32/12/635613212.db2.gz YAJUIJIMOCYMFL-BDAKNGLRSA-N 1 1 273.735 2.387 20 10 CECDMO C[C@@H]1C[C@H](O)C[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000825316907 635613216 /nfs/dbraw/zinc/61/32/16/635613216.db2.gz YAJUIJIMOCYMFL-BDAKNGLRSA-N 1 1 273.735 2.387 20 10 CECDMO C[C@H]1C[N@H+](Cc2cc(Cl)ccc2[O-])CC[C@@H]1C[NH3+] ZINC000904410452 635617206 /nfs/dbraw/zinc/61/72/06/635617206.db2.gz DPPPMWRYUCEPPE-WDEREUQCSA-N 1 1 268.788 2.462 20 10 CECDMO C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2[O-])CC[C@@H]1C[NH3+] ZINC000904410452 635617210 /nfs/dbraw/zinc/61/72/10/635617210.db2.gz DPPPMWRYUCEPPE-WDEREUQCSA-N 1 1 268.788 2.462 20 10 CECDMO CCOc1cccc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)c1O ZINC000904411534 635619452 /nfs/dbraw/zinc/61/94/52/635619452.db2.gz LZDJPEGEHMCJTQ-STQMWFEESA-N 1 1 278.396 2.208 20 10 CECDMO CC1(C)C[NH2+]C[C@@H]1NCc1cccc(Br)c1O ZINC000904463004 635635316 /nfs/dbraw/zinc/63/53/16/635635316.db2.gz NYZCHPCANSIKBR-NSHDSACASA-N 1 1 299.212 2.242 20 10 CECDMO COc1ccc(C[NH2+]Cc2cn(C3CCC3)nn2)c(O)c1 ZINC000825752709 635707827 /nfs/dbraw/zinc/70/78/27/635707827.db2.gz HUXDXZCBNAZPTQ-UHFFFAOYSA-N 1 1 288.351 2.007 20 10 CECDMO Cc1cccc(C[N@@H+](CCOCCO)C2CCC2)c1O ZINC000827204309 636255263 /nfs/dbraw/zinc/25/52/63/636255263.db2.gz QUYBXPOPNMYKPL-UHFFFAOYSA-N 1 1 279.380 2.064 20 10 CECDMO CC(C)NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000827687401 636391696 /nfs/dbraw/zinc/39/16/96/636391696.db2.gz PZCASAGFQVUIRT-AWEZNQCLSA-N 1 1 276.380 2.129 20 10 CECDMO C[C@H]1C[N@@H+](Cc2ccc(N(C)C)c(F)c2)C[C@]1(C)CO ZINC000827699279 636396923 /nfs/dbraw/zinc/39/69/23/636396923.db2.gz GGMGMJJCNLNUQR-BLLLJJGKSA-N 1 1 280.387 2.342 20 10 CECDMO COC(=O)[C@H]1CCC[N@@H+](Cc2c(C)cccc2O)C1 ZINC000876556630 650324968 /nfs/dbraw/zinc/32/49/68/650324968.db2.gz VGQSCSISLFDTLS-LBPRGKRZSA-N 1 1 263.337 2.086 20 10 CECDMO Oc1cccc2c1[C@H]([NH2+][C@@H]1CCc3cn[nH]c3C1)CC2 ZINC000834620983 637892916 /nfs/dbraw/zinc/89/29/16/637892916.db2.gz ZTXMVVSAOPZDTH-CHWSQXEVSA-N 1 1 269.348 2.250 20 10 CECDMO Oc1cccc2c1[C@@H]([NH2+][C@@H]1CCc3[nH]cnc3C1)CC2 ZINC000834808242 637956883 /nfs/dbraw/zinc/95/68/83/637956883.db2.gz YPFPJXSCJCUKFI-YPMHNXCESA-N 1 1 269.348 2.250 20 10 CECDMO C[C@@H]([NH2+]CCN1C[C@H]2CC[C@@H](C1)O2)c1ccc(F)cc1O ZINC000834887905 637978851 /nfs/dbraw/zinc/97/88/51/637978851.db2.gz ABEZVPHWJFTALM-BNOWGMLFSA-N 1 1 294.370 2.045 20 10 CECDMO CC[C@H]([NH2+][C@@H]1CC[C@H](C(N)=O)C1)c1ccc(F)cc1O ZINC000834907512 637983630 /nfs/dbraw/zinc/98/36/30/637983630.db2.gz URYQNCGXTOFGIG-NDMJEZRESA-N 1 1 280.343 2.226 20 10 CECDMO CC[C@@H]([NH2+][C@@H]1CCC[C@H]1O)c1ccc(F)cc1O ZINC000834916409 637988489 /nfs/dbraw/zinc/98/84/89/637988489.db2.gz XTSZBCSOYSNFIK-JHJVBQTASA-N 1 1 253.317 2.485 20 10 CECDMO CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C)cc2O)C1 ZINC000876657933 650382708 /nfs/dbraw/zinc/38/27/08/650382708.db2.gz LQRBGGIIWRHYQQ-OAHLLOKOSA-N 1 1 290.407 2.439 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CC1([NH3+])CC[NH+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000843104149 640281653 /nfs/dbraw/zinc/28/16/53/640281653.db2.gz DZDHESGDRXPJCX-UHFFFAOYSA-N 1 1 299.758 2.267 20 10 CECDMO Cc1cc(Br)cc(CN(C)C2CC([NH3+])C2)c1O ZINC000843125263 640291658 /nfs/dbraw/zinc/29/16/58/640291658.db2.gz QEBBCNFBGFKJGO-UHFFFAOYSA-N 1 1 299.212 2.385 20 10 CECDMO CCOc1ccc(O)c(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)c1 ZINC000843421295 640423346 /nfs/dbraw/zinc/42/33/46/640423346.db2.gz WPKCAPPZNMOKLJ-WBMJQRKESA-N 1 1 277.364 2.402 20 10 CECDMO COc1ccc(N(C)CC[N@@H+](C)CCCCCO)cc1 ZINC000844399543 640708744 /nfs/dbraw/zinc/70/87/44/640708744.db2.gz LJGXFRYIOCDWHD-UHFFFAOYSA-N 1 1 280.412 2.226 20 10 CECDMO Cc1cccc(O)c1C[N@@H+](C)CCc1cnccn1 ZINC000877171775 650609459 /nfs/dbraw/zinc/60/94/59/650609459.db2.gz KWGONVTUDUMOTP-UHFFFAOYSA-N 1 1 257.337 2.165 20 10 CECDMO CCN(C)c1ccc(C[N@@H+](C)[C@@H]2CCC(=O)N(C)C2)cc1 ZINC000846921293 641483807 /nfs/dbraw/zinc/48/38/07/641483807.db2.gz RRLJIWISUIVMQL-MRXNPFEDSA-N 1 1 289.423 2.195 20 10 CECDMO CC[C@H]1C[N@H+](C)CCCN1C(=O)C1=CC(=O)CS1 ZINC000846987767 641510761 /nfs/dbraw/zinc/51/07/61/641510761.db2.gz IIDKWRVSOSJABK-JTQLQIEISA-N 1 1 268.382 2.010 20 10 CECDMO CC[C@H]1C[N@@H+](C)CCCN1C(=O)C1=CC(=O)CS1 ZINC000846987767 641510763 /nfs/dbraw/zinc/51/07/63/641510763.db2.gz IIDKWRVSOSJABK-JTQLQIEISA-N 1 1 268.382 2.010 20 10 CECDMO CCOc1cccc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c1O ZINC000070171604 641641334 /nfs/dbraw/zinc/64/13/34/641641334.db2.gz PNSSTLQJRWWKIR-CHWSQXEVSA-N 1 1 278.396 2.350 20 10 CECDMO C[C@H]([NH2+]CCC1(C)OCCO1)c1ccc(F)cc1O ZINC000183885863 641810183 /nfs/dbraw/zinc/81/01/83/641810183.db2.gz QPSGFTQMNFFYBY-JTQLQIEISA-N 1 1 269.316 2.335 20 10 CECDMO [NH3+]C[C@@H](NCc1c(O)ccc(Cl)c1F)C(F)(F)F ZINC000848714345 642109579 /nfs/dbraw/zinc/10/95/79/642109579.db2.gz ODTGULOROMHADY-MRVPVSSYSA-N 1 1 286.656 2.164 20 10 CECDMO CCc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)OC)c1O ZINC000848879828 642166700 /nfs/dbraw/zinc/16/67/00/642166700.db2.gz 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/nfs/dbraw/zinc/18/53/94/642185394.db2.gz YOQHQQRPUNKJHP-OAHLLOKOSA-N 1 1 289.375 2.135 20 10 CECDMO CCc1cccc(C[N@H+]2CCO[C@@H](C(=O)C3CC3)C2)c1O ZINC000848909636 642185398 /nfs/dbraw/zinc/18/53/98/642185398.db2.gz YOQHQQRPUNKJHP-OAHLLOKOSA-N 1 1 289.375 2.135 20 10 CECDMO COc1cc(Cl)cc(C[N@@H+](C[C@@H](C)O)C2CC2)c1O ZINC000848929456 642199483 /nfs/dbraw/zinc/19/94/83/642199483.db2.gz XAZQGQVMFGMLGV-SECBINFHSA-N 1 1 285.771 2.399 20 10 CECDMO Cc1ccc(C[N@H+]2CCOC[C@@H]2[C@H]2CCCC2=O)c(O)c1 ZINC000877465848 650731893 /nfs/dbraw/zinc/73/18/93/650731893.db2.gz YXJQBXWBQUOSMN-HUUCEWRRSA-N 1 1 289.375 2.271 20 10 CECDMO CCO[C@H]1CCC[N@@H+](Cc2c(O)cccc2OC)C1 ZINC000771935086 642252530 /nfs/dbraw/zinc/25/25/30/642252530.db2.gz KTWSIRJLSPGUBZ-LBPRGKRZSA-N 1 1 265.353 2.402 20 10 CECDMO Cc1cccc(O)c1C[N@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000877474962 650738681 /nfs/dbraw/zinc/73/86/81/650738681.db2.gz AWAJCAQUNSHZIS-UHFFFAOYSA-N 1 1 270.332 2.360 20 10 CECDMO Cc1ccc(C[N@H+]2CC[C@H](C)[S@](=O)CC2)c(O)c1 ZINC000877476768 650739441 /nfs/dbraw/zinc/73/94/41/650739441.db2.gz MWHNYQITGBLTMJ-KPZWWZAWSA-N 1 1 267.394 2.044 20 10 CECDMO Cc1ccc(C[N@@H+]2CC[C@H](C)[S@](=O)CC2)c(O)c1 ZINC000877476768 650739445 /nfs/dbraw/zinc/73/94/45/650739445.db2.gz MWHNYQITGBLTMJ-KPZWWZAWSA-N 1 1 267.394 2.044 20 10 CECDMO Cc1cccc(O)c1C[NH2+]CCCN1CCCO[C@H](C)C1 ZINC000877477674 650739888 /nfs/dbraw/zinc/73/98/88/650739888.db2.gz HHYWXFZOFWDFGU-OAHLLOKOSA-N 1 1 292.423 2.291 20 10 CECDMO Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@]3(CCOC3)C2)c(O)c1 ZINC000877491997 650748461 /nfs/dbraw/zinc/74/84/61/650748461.db2.gz DSZUPFDFAZHKHB-CZUORRHYSA-N 1 1 277.364 2.080 20 10 CECDMO Cc1ccc(C[N@@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)c(O)c1 ZINC000877495551 650750771 /nfs/dbraw/zinc/75/07/71/650750771.db2.gz YLSTWCCXUIPOEA-WMLDXEAASA-N 1 1 291.391 2.471 20 10 CECDMO Cc1cccc(O)c1C[N@@H+](CCCO)Cc1ccccn1 ZINC000877527164 650768256 /nfs/dbraw/zinc/76/82/56/650768256.db2.gz POSNLTZEZOXWFY-UHFFFAOYSA-N 1 1 286.375 2.480 20 10 CECDMO OC[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)C1CCC1 ZINC000850350074 642676486 /nfs/dbraw/zinc/67/64/86/642676486.db2.gz OAPODNXWIDSXOY-NSHDSACASA-N 1 1 273.735 2.435 20 10 CECDMO C[C@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)cc2)c2ncnn21 ZINC000850352497 642678756 /nfs/dbraw/zinc/67/87/56/642678756.db2.gz YMLXRVPJZRPWOT-FZMZJTMJSA-N 1 1 271.368 2.140 20 10 CECDMO Cc1cccc(O)c1C[N@H+]1CC[C@H](n2cccn2)C1 ZINC000877543735 650778760 /nfs/dbraw/zinc/77/87/60/650778760.db2.gz FXWJYBKSBLVQDB-ZDUSSCGKSA-N 1 1 257.337 2.344 20 10 CECDMO C[N@@H+](CCC(=O)NC1CCCC1)Cc1ccccc1O ZINC000109773238 642926005 /nfs/dbraw/zinc/92/60/05/642926005.db2.gz CXQVCPBZNCZEOU-UHFFFAOYSA-N 1 1 276.380 2.273 20 10 CECDMO CC(C)[N@@H+](C)C[C@H](O)CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000851951563 643240213 /nfs/dbraw/zinc/24/02/13/643240213.db2.gz YUDZSYZVWRDYOU-WMLDXEAASA-N 1 1 293.455 2.104 20 10 CECDMO COc1cc(C[NH2+]Cc2ccc(N(C)C)cc2C)on1 ZINC000877635530 650827090 /nfs/dbraw/zinc/82/70/90/650827090.db2.gz UZJKQQWYEKIAEF-UHFFFAOYSA-N 1 1 275.352 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COc1cc(C[N@H+]2CCC[C@](C)(O)CC2)c(O)cc1C ZINC000794666937 648900908 /nfs/dbraw/zinc/90/09/08/648900908.db2.gz LSXWOOOEOZYALH-INIZCTEOSA-N 1 1 279.380 2.446 20 10 CECDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1Cc2cccc(O)c2C1 ZINC000871202299 649030614 /nfs/dbraw/zinc/03/06/14/649030614.db2.gz CPJKRBHAEDCVBM-TXEJJXNPSA-N 1 1 274.364 2.107 20 10 CECDMO Oc1cc2c(cc1C[N@@H+]1C[C@@H]3CC=CC[C@@H]3C1)[C@@H](O)CO2 ZINC000872713168 649464979 /nfs/dbraw/zinc/46/49/79/649464979.db2.gz LICZAQDQQGYWFG-OZVIIMIRSA-N 1 1 287.359 2.216 20 10 CECDMO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)c1nccc(N)n1 ZINC000879649651 651335236 /nfs/dbraw/zinc/33/52/36/651335236.db2.gz APWUODGKYVEQEU-VHSXEESVSA-N 1 1 258.325 2.176 20 10 CECDMO CC(C)Cn1ncnc1C[NH2+][C@H](C)c1ccccc1O ZINC000879649010 651335418 /nfs/dbraw/zinc/33/54/18/651335418.db2.gz HEAHVHGFZHONLR-GFCCVEGCSA-N 1 1 274.368 2.491 20 10 CECDMO CO[C@@H]1COCC[C@@H]1[N@@H+](C)Cc1ccc(N(C)C)c(C)c1 ZINC000880437098 651440828 /nfs/dbraw/zinc/44/08/28/651440828.db2.gz 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Cc1cc(C[N@@H+](C)[C@@H]2CCN(C)C2)ccc1N(C)C ZINC001139672802 816076309 /nfs/dbraw/zinc/07/63/09/816076309.db2.gz GIVINCXLRJOFJW-OAHLLOKOSA-N 1 1 261.413 2.197 20 10 CECDMO Cc1cc(CN(C)[C@@H]2CC[N@H+](C)C2)ccc1N(C)C ZINC001139672802 816076315 /nfs/dbraw/zinc/07/63/15/816076315.db2.gz GIVINCXLRJOFJW-OAHLLOKOSA-N 1 1 261.413 2.197 20 10 CECDMO Cc1cc(CN(C)[C@@H]2CC[N@@H+](C)C2)ccc1N(C)C ZINC001139672802 816076322 /nfs/dbraw/zinc/07/63/22/816076322.db2.gz GIVINCXLRJOFJW-OAHLLOKOSA-N 1 1 261.413 2.197 20 10 CECDMO Oc1ccc(F)cc1CN1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001140054842 816177867 /nfs/dbraw/zinc/17/78/67/816177867.db2.gz YCOJPEBCQRNNMB-UHFFFAOYSA-N 1 1 290.382 2.449 20 10 CECDMO O=C1CC[C@]2(CCC[N@H+](Cc3cc(F)ccc3O)C2)O1 ZINC001140060303 816181655 /nfs/dbraw/zinc/18/16/55/816181655.db2.gz UTHQBNKTYHKBCI-HNNXBMFYSA-N 1 1 279.311 2.203 20 10 CECDMO CC[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H]4C[C@@H]4C3)cc2)CC1 ZINC001140302025 816227024 /nfs/dbraw/zinc/22/70/24/816227024.db2.gz 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CCN(C)c1ccc(C[N@@H+]2CCc3ncncc3C2)cc1 ZINC000880599099 651469095 /nfs/dbraw/zinc/46/90/95/651469095.db2.gz DMTRBKMHKUQJAG-UHFFFAOYSA-N 1 1 282.391 2.491 20 10 CECDMO CCN(C)c1ccc(C[N@H+]2CCc3ncncc3C2)cc1 ZINC000880599099 651469096 /nfs/dbraw/zinc/46/90/96/651469096.db2.gz DMTRBKMHKUQJAG-UHFFFAOYSA-N 1 1 282.391 2.491 20 10 CECDMO C[C@@H](Cc1cnn(C)c1)[NH2+]Cc1cc(F)cc(F)c1O ZINC000883136331 652375414 /nfs/dbraw/zinc/37/54/14/652375414.db2.gz ZWDLZLICNMLUCL-VIFPVBQESA-N 1 1 281.306 2.125 20 10 CECDMO Oc1c(F)cc(F)cc1C[NH2+][C@H]1CCCn2nccc21 ZINC000883201063 652398016 /nfs/dbraw/zinc/39/80/16/652398016.db2.gz XHKDVFIGLASINN-LBPRGKRZSA-N 1 1 279.290 2.492 20 10 CECDMO COCC[N@@H+](C)Cc1cccc(Br)c1[O-] ZINC000132705959 652548049 /nfs/dbraw/zinc/54/80/49/652548049.db2.gz NDVGZVCWPMSLMO-UHFFFAOYSA-N 1 1 274.158 2.233 20 10 CECDMO COCC[N@H+](C)Cc1cccc(Br)c1O ZINC000132705959 652548052 /nfs/dbraw/zinc/54/80/52/652548052.db2.gz NDVGZVCWPMSLMO-UHFFFAOYSA-N 1 1 274.158 2.233 20 10 CECDMO COCC[N@@H+](C)Cc1cccc(Br)c1O ZINC000132705959 652548054 /nfs/dbraw/zinc/54/80/54/652548054.db2.gz NDVGZVCWPMSLMO-UHFFFAOYSA-N 1 1 274.158 2.233 20 10 CECDMO C[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2O)[C@@H]1CO ZINC001140057768 802549689 /nfs/dbraw/zinc/54/96/89/802549689.db2.gz LJOAXTFMIMDZBC-ZWNOBZJWSA-N 1 1 253.317 2.124 20 10 CECDMO [NH3+]CC[C@H]1CC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000723674928 802922902 /nfs/dbraw/zinc/92/29/02/802922902.db2.gz LGCKQZPHCNRCAR-JTQLQIEISA-N 1 1 254.761 2.216 20 10 CECDMO [NH3+]CC[C@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000723674928 802922906 /nfs/dbraw/zinc/92/29/06/802922906.db2.gz LGCKQZPHCNRCAR-JTQLQIEISA-N 1 1 254.761 2.216 20 10 CECDMO [NH3+]CC[C@@H]1CC[N@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000723674923 802923149 /nfs/dbraw/zinc/92/31/49/802923149.db2.gz KPXSAFVHPVPJRI-SNVBAGLBSA-N 1 1 299.212 2.325 20 10 CECDMO [NH3+]CC[C@@H]1CC[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000723674923 802923153 /nfs/dbraw/zinc/92/31/53/802923153.db2.gz KPXSAFVHPVPJRI-SNVBAGLBSA-N 1 1 299.212 2.325 20 10 CECDMO Oc1ccc(O)c(C[N@H+]2CC[C@@H](c3ccncc3)C2)c1 ZINC001141158524 803760656 /nfs/dbraw/zinc/76/06/56/803760656.db2.gz CLNYFRPRFQHRCO-CYBMUJFWSA-N 1 1 270.332 2.482 20 10 CECDMO CN(C)c1ccc(CN[C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000036996434 814978678 /nfs/dbraw/zinc/97/86/78/814978678.db2.gz CNODLFNIZNNMRS-DLBZAZTESA-N 1 1 273.424 2.469 20 10 CECDMO CN(C)c1ccc(C[NH2+][C@H]2CCN3CCCC[C@H]23)cc1 ZINC000036996434 814978693 /nfs/dbraw/zinc/97/86/93/814978693.db2.gz CNODLFNIZNNMRS-DLBZAZTESA-N 1 1 273.424 2.469 20 10 CECDMO CC(C)CN1CC[NH+](Cc2ccc(N(C)C)cc2O)CC1 ZINC001232836037 807323421 /nfs/dbraw/zinc/32/34/21/807323421.db2.gz KKIYGBXNHCCPOG-UHFFFAOYSA-N 1 1 291.439 2.232 20 10 CECDMO O=C([C@H]1CC[C@H]2CCCC[N@H+]21)N1Cc2cccc(O)c2C1 ZINC000913726563 807518848 /nfs/dbraw/zinc/51/88/48/807518848.db2.gz RNZPJNCBNDHOJV-UKRRQHHQSA-N 1 1 286.375 2.251 20 10 CECDMO CC[C@@H]1C[NH2+]CCN1Cc1cc(F)cc(Cl)c1O ZINC001235777101 807857087 /nfs/dbraw/zinc/85/70/87/807857087.db2.gz 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ZINC001143103326 816785822 /nfs/dbraw/zinc/78/58/22/816785822.db2.gz AHQNKZRHVXXPNN-UHFFFAOYSA-N 1 1 276.380 2.012 20 10 CECDMO C[N@@H+](Cc1cc(Cl)ccc1O)[C@@H]1CCCCNC1=O ZINC000123894039 365643186 /nfs/dbraw/zinc/64/31/86/365643186.db2.gz IQNHRNGXEUZUEM-GFCCVEGCSA-N 1 1 282.771 2.146 20 10 CECDMO COCC[N@@H+](Cc1ccccn1)Cc1ccccc1O ZINC000196205584 344524143 /nfs/dbraw/zinc/52/41/43/344524143.db2.gz RKKQWCXWJQMYEF-UHFFFAOYSA-N 1 1 272.348 2.436 20 10 CECDMO CCC(=O)N1CCC[N@@H+](Cc2cc(C)c(C)cc2O)CC1 ZINC000128729190 365802853 /nfs/dbraw/zinc/80/28/53/365802853.db2.gz QPIICEUQEZVPJC-UHFFFAOYSA-N 1 1 290.407 2.453 20 10 CECDMO Cn1cc2c(n1)CCC[C@H]2[NH2+]Cc1cccc(F)c1O ZINC000283183507 282697058 /nfs/dbraw/zinc/69/70/58/282697058.db2.gz ZWWQBRBJJXHGQI-CYBMUJFWSA-N 1 1 275.327 2.432 20 10 CECDMO CCOc1cccc(CN2C[C@H]3CCC[N@H+]3C[C@@H]2C)c1O ZINC000156077922 366826750 /nfs/dbraw/zinc/82/67/50/366826750.db2.gz HMAXXAGWXZGUCV-DZGCQCFKSA-N 1 1 290.407 2.459 20 10 CECDMO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3cc(C)ccc3O)[C@H]2C1 ZINC000092097058 364074914 /nfs/dbraw/zinc/07/49/14/364074914.db2.gz XQNCVYVCCLLOJH-HLLBOEOZSA-N 1 1 291.391 2.469 20 10 CECDMO CCOc1ccc(O)c(C[N@H+]2CC[C@]3(CCOC3)C2)c1 ZINC000093820662 364232359 /nfs/dbraw/zinc/23/23/59/364232359.db2.gz CAPHPLFFLRHYAN-INIZCTEOSA-N 1 1 277.364 2.403 20 10 CECDMO C[C@@H]1CCCN(C(=O)C[N@@H+](C)Cc2ccccc2O)C1 ZINC000111236477 364726518 /nfs/dbraw/zinc/72/65/18/364726518.db2.gz RPFFRVNXDPJMMV-CYBMUJFWSA-N 1 1 276.380 2.083 20 10 CECDMO Cc1cccc(C[N@H+]2CCO[C@H]([C@H]3CCCO3)C2)c1O ZINC000245939863 370891068 /nfs/dbraw/zinc/89/10/68/370891068.db2.gz UDUFRDGOFBHYJV-CABCVRRESA-N 1 1 277.364 2.080 20 10 CECDMO CCOc1ccc(O)c(C[N@H+]2CCCN(C3CC3)CC2)c1 ZINC000179732756 368348700 /nfs/dbraw/zinc/34/87/00/368348700.db2.gz OILNDIGVWCWGDG-UHFFFAOYSA-N 1 1 290.407 2.461 20 10 CECDMO CCOc1ccc(O)c(CN2CCC[N@@H+](C3CC3)CC2)c1 ZINC000179732756 368348708 /nfs/dbraw/zinc/34/87/08/368348708.db2.gz OILNDIGVWCWGDG-UHFFFAOYSA-N 1 1 290.407 2.461 20 10 CECDMO CCOc1ccc(O)c(CN2CCC[N@H+](C3CC3)CC2)c1 ZINC000179732756 368348714 /nfs/dbraw/zinc/34/87/14/368348714.db2.gz OILNDIGVWCWGDG-UHFFFAOYSA-N 1 1 290.407 2.461 20 10 CECDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1cccc(O)c1O ZINC000187091526 369100001 /nfs/dbraw/zinc/10/00/01/369100001.db2.gz KEDIIYMBFGKJIV-LBPRGKRZSA-N 1 1 292.379 2.092 20 10 CECDMO COCCO[C@@H]1CC[N@@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000188920762 369428984 /nfs/dbraw/zinc/42/89/84/369428984.db2.gz XCSXBNTUQCTMCJ-OAHLLOKOSA-N 1 1 279.380 2.246 20 10 CECDMO COC(=O)[C@@H](C)[N@@H+](Cc1ccccc1O)C1CCC1 ZINC000191641107 369729087 /nfs/dbraw/zinc/72/90/87/369729087.db2.gz MCOJOFSQMVLCPE-LLVKDONJSA-N 1 1 263.337 2.308 20 10 CECDMO COC(=O)[C@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1cc(F)ccc1O ZINC000191674275 369732798 /nfs/dbraw/zinc/73/27/98/369732798.db2.gz MHPRNXJMKIWPBL-WDBKCZKBSA-N 1 1 293.338 2.305 20 10 CECDMO CC1=CC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000270338258 372746573 /nfs/dbraw/zinc/74/65/73/372746573.db2.gz NAOKSHZJSWVIPJ-UHFFFAOYSA-N 1 1 287.407 2.021 20 10 CECDMO CC1=CC[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000270338258 372746578 /nfs/dbraw/zinc/74/65/78/372746578.db2.gz NAOKSHZJSWVIPJ-UHFFFAOYSA-N 1 1 287.407 2.021 20 10 CECDMO CC[C@@H](c1ccccc1O)[N@H+]1CCNC(=O)C[C@H]1C ZINC000367668370 373178805 /nfs/dbraw/zinc/17/88/05/373178805.db2.gz HMWYWGOUOLXXLY-YPMHNXCESA-N 1 1 262.353 2.054 20 10 CECDMO CN(C)c1ccc(C[N@@H+](C)C[C@H]2CCC[C@@H]2O)cc1F ZINC000271252673 373185484 /nfs/dbraw/zinc/18/54/84/373185484.db2.gz ITKJYTFDRWAHDH-CJNGLKHVSA-N 1 1 280.387 2.485 20 10 CECDMO CS(=O)(=O)CC[C@H]1CCCC[N@H+]1Cc1ccccc1O ZINC000367833894 373195697 /nfs/dbraw/zinc/19/56/97/373195697.db2.gz SYDDGTHCRJQHQF-CQSZACIVSA-N 1 1 297.420 2.181 20 10 CECDMO Oc1ccc(F)cc1C[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000368414358 373240221 /nfs/dbraw/zinc/24/02/21/373240221.db2.gz UDFDGZVXYYCQMU-CQSZACIVSA-N 1 1 251.301 2.142 20 10 CECDMO Oc1ccc(F)cc1C[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000368414358 373240228 /nfs/dbraw/zinc/24/02/28/373240228.db2.gz UDFDGZVXYYCQMU-CQSZACIVSA-N 1 1 251.301 2.142 20 10 CECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC(C)(C)N(C)C)c1 ZINC000273362372 373753208 /nfs/dbraw/zinc/75/32/08/373753208.db2.gz DCYBGGDNTSYQGR-LLVKDONJSA-N 1 1 294.395 2.170 20 10 CECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H](CO)CC(C)C)c1 ZINC000273408981 373755841 /nfs/dbraw/zinc/75/58/41/373755841.db2.gz PDDZRWCXZNRKOV-AAEUAGOBSA-N 1 1 295.379 2.236 20 10 CECDMO Cc1nccn1CC[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000273468005 373759507 /nfs/dbraw/zinc/75/95/07/373759507.db2.gz FEZIRDBPSLDXGN-JTQLQIEISA-N 1 1 263.316 2.387 20 10 CECDMO CCc1nnc([C@H](C)[NH2+][C@H](C)c2cc(OC)ccc2O)[nH]1 ZINC000273546619 373761780 /nfs/dbraw/zinc/76/17/80/373761780.db2.gz ZLKFYBXBTYUZEW-ZJUUUORDSA-N 1 1 290.367 2.493 20 10 CECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC2CCOCC2)c1 ZINC000273576775 373764147 /nfs/dbraw/zinc/76/41/47/373764147.db2.gz LWYVKOJAQXYFQW-NSHDSACASA-N 1 1 293.363 2.256 20 10 CECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H](C)[C@@H]2CCOC2)c1 ZINC000273554508 373765131 /nfs/dbraw/zinc/76/51/31/373765131.db2.gz GQSONMICQHKBRR-GMXVVIOVSA-N 1 1 293.363 2.254 20 10 CECDMO CC[C@@H](c1ccccc1O)[N@@H+]1CCO[C@H](CC(=O)OC)C1 ZINC000372568311 374158904 /nfs/dbraw/zinc/15/89/04/374158904.db2.gz HLPFVWWIOBYCES-OCCSQVGLSA-N 1 1 293.363 2.107 20 10 CECDMO C[C@H]([NH2+]CCN1CC=CCC1)c1ccc(F)cc1O ZINC000281241927 375365736 /nfs/dbraw/zinc/36/57/36/375365736.db2.gz VHAVPPFUQCYNNJ-LBPRGKRZSA-N 1 1 264.344 2.444 20 10 CECDMO CCCC[N@@H+](Cc1ccccc1O)[C@@H](C)C(=O)N(C)C ZINC000282348719 375462589 /nfs/dbraw/zinc/46/25/89/375462589.db2.gz CKEOJFJJSOAJQS-ZDUSSCGKSA-N 1 1 278.396 2.471 20 10 CECDMO CCCC[N@@H+](CCS(=O)(=O)CC)Cc1ccccc1O ZINC000282486709 375496758 /nfs/dbraw/zinc/49/67/58/375496758.db2.gz PGZDWNSFSYCBKB-UHFFFAOYSA-N 1 1 299.436 2.429 20 10 CECDMO CC(C)[C@@H](O)C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000283855498 375771773 /nfs/dbraw/zinc/77/17/73/375771773.db2.gz HRHDFIYDGBFTBM-WBVHZDCISA-N 1 1 293.407 2.390 20 10 CECDMO Cc1cc(C[NH2+][C@@H](C)c2ccc(F)cc2O)n(C)n1 ZINC000284408852 375827237 /nfs/dbraw/zinc/82/72/37/375827237.db2.gz QDKXUSMGNGGTMC-JTQLQIEISA-N 1 1 263.316 2.424 20 10 CECDMO CN(C)c1ccc(C[N@H+]2CCO[C@]3(CCCOC3)C2)cc1 ZINC000285350030 375838527 /nfs/dbraw/zinc/83/85/27/375838527.db2.gz PMTPTIXQWQQYIT-QGZVFWFLSA-N 1 1 290.407 2.134 20 10 CECDMO CC[C@H]([NH2+]CCNC(=O)C1CC1)c1ccc(F)cc1O ZINC000285811345 375843543 /nfs/dbraw/zinc/84/35/43/375843543.db2.gz VUBDTSDIKIFGRC-ZDUSSCGKSA-N 1 1 280.343 2.098 20 10 CECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC2=CCCOC2)c1 ZINC000286918822 376101577 /nfs/dbraw/zinc/10/15/77/376101577.db2.gz FMHFHBLEAZZVMT-LLVKDONJSA-N 1 1 291.347 2.176 20 10 CECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H](OC)C2CC2)c1 ZINC000293647305 284565578 /nfs/dbraw/zinc/56/55/78/284565578.db2.gz HOKXJVVQKBVGHV-ZUZCIYMTSA-N 1 1 293.363 2.254 20 10 CECDMO COc1cccc(C[N@@H+](CC2CCC2)[C@@H](C)CO)c1O ZINC000289347220 376393482 /nfs/dbraw/zinc/39/34/82/376393482.db2.gz IPOMDWJPEOVSLL-LBPRGKRZSA-N 1 1 279.380 2.384 20 10 CECDMO Cc1cc(CN2CC[C@H](C[NH+](C)C)C2)ccc1N(C)C ZINC000293212267 377472671 /nfs/dbraw/zinc/47/26/71/377472671.db2.gz UZPIAAGBUIIVCM-MRXNPFEDSA-N 1 1 275.440 2.445 20 10 CECDMO Cc1cc(C[N@H+]2CC[C@H](CN(C)C)C2)ccc1N(C)C ZINC000293212267 377472678 /nfs/dbraw/zinc/47/26/78/377472678.db2.gz UZPIAAGBUIIVCM-MRXNPFEDSA-N 1 1 275.440 2.445 20 10 CECDMO Cc1cc(C[N@@H+]2CC[C@H](CN(C)C)C2)ccc1N(C)C ZINC000293212267 377472682 /nfs/dbraw/zinc/47/26/82/377472682.db2.gz UZPIAAGBUIIVCM-MRXNPFEDSA-N 1 1 275.440 2.445 20 10 CECDMO CSC[C@@](C)(O)C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000293575633 377639331 /nfs/dbraw/zinc/63/93/31/377639331.db2.gz JJASPRKTEKEJKX-LBPRGKRZSA-N 1 1 293.791 2.388 20 10 CECDMO Cc1cccc(C[N@@H+]2CCC[C@@H](OC(=O)N(C)C)C2)c1O ZINC000294733259 378016377 /nfs/dbraw/zinc/01/63/77/378016377.db2.gz GLZZBZFWCRWEAK-CQSZACIVSA-N 1 1 292.379 2.363 20 10 CECDMO COc1cccc(C[N@H+]2CC[C@@H](SC)C2)c1O ZINC000294910367 378027863 /nfs/dbraw/zinc/02/78/63/378027863.db2.gz ACMPLAWSZKSXKG-LLVKDONJSA-N 1 1 253.367 2.338 20 10 CECDMO Cc1cc(O)c(C[N@@H+]2CC[C@@H](OC(=O)N(C)C)C2)cc1C ZINC000295183599 378045873 /nfs/dbraw/zinc/04/58/73/378045873.db2.gz WEZOVKKNGUCWAN-CQSZACIVSA-N 1 1 292.379 2.282 20 10 CECDMO COC1CCN(c2ccc(C[N@@H+](C)C[C@H](C)O)cc2)CC1 ZINC000295205875 378050095 /nfs/dbraw/zinc/05/00/95/378050095.db2.gz OGYPYTXBLDCFAS-AWEZNQCLSA-N 1 1 292.423 2.114 20 10 CECDMO C[S@@](=O)C1(C[NH2+]Cc2cc(Cl)c(F)cc2O)CC1 ZINC000294778647 378019921 /nfs/dbraw/zinc/01/99/21/378019921.db2.gz UEMDWPAGBLLERJ-GOSISDBHSA-N 1 1 291.775 2.185 20 10 CECDMO CC(C)c1nnc(C[NH2+]Cc2cc(F)ccc2O)[nH]1 ZINC000294829901 378022029 /nfs/dbraw/zinc/02/20/29/378022029.db2.gz PVWYQOZJVGYRKA-UHFFFAOYSA-N 1 1 264.304 2.063 20 10 CECDMO CC[C@H](C)[N@H+](C)CCNCc1cccc(OC)c1O ZINC000217386583 394454508 /nfs/dbraw/zinc/45/45/08/394454508.db2.gz QDQFNYZMZVYPBM-LBPRGKRZSA-N 1 1 266.385 2.221 20 10 CECDMO CCOc1ccc(O)c(C[N@@H+](C)Cc2cnn(C)c2)c1 ZINC000119723389 394771928 /nfs/dbraw/zinc/77/19/28/394771928.db2.gz BHKYVWHCHHBLDZ-UHFFFAOYSA-N 1 1 275.352 2.156 20 10 CECDMO NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1cc(F)ccc1O ZINC000360675828 394805606 /nfs/dbraw/zinc/80/56/06/394805606.db2.gz XZLIZXLUKFBKIS-HONMWMINSA-N 1 1 292.354 2.150 20 10 CECDMO C[C@@H]([NH2+]Cc1ccc2c(c1)CCN2C)c1ncc[nH]1 ZINC000138895725 394972580 /nfs/dbraw/zinc/97/25/80/394972580.db2.gz WHJZOJCRHUBXKA-LLVKDONJSA-N 1 1 256.353 2.253 20 10 CECDMO COc1ccc(O)c(C[N@H+]2CCC[C@H](n3cccn3)C2)c1 ZINC000373216271 395056678 /nfs/dbraw/zinc/05/66/78/395056678.db2.gz MVALKBTUZHMZEU-AWEZNQCLSA-N 1 1 287.363 2.434 20 10 CECDMO CCC[N@H+](CCS(=O)(=O)CCC)Cc1ccccc1O ZINC000174372210 395123810 /nfs/dbraw/zinc/12/38/10/395123810.db2.gz YGINIEZNLRCPMZ-UHFFFAOYSA-N 1 1 299.436 2.429 20 10 CECDMO CCC[N@@H+](CCS(=O)(=O)CCC)Cc1ccccc1O ZINC000174372210 395123815 /nfs/dbraw/zinc/12/38/15/395123815.db2.gz YGINIEZNLRCPMZ-UHFFFAOYSA-N 1 1 299.436 2.429 20 10 CECDMO COC(=O)[C@@]1(C)CC[N@@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000177220604 395148049 /nfs/dbraw/zinc/14/80/49/395148049.db2.gz LXTIHVUXEWXRKV-INIZCTEOSA-N 1 1 277.364 2.394 20 10 CECDMO CC(C)N1CCC[C@H]([N@@H+](C)Cc2ccccc2O)C1=O ZINC000177716204 395155450 /nfs/dbraw/zinc/15/54/50/395155450.db2.gz YJAGTQIJVRFMGE-AWEZNQCLSA-N 1 1 276.380 2.223 20 10 CECDMO CC(C)N1CCC[C@@H]([N@@H+](C)Cc2ccccc2O)C1=O ZINC000177716221 395155495 /nfs/dbraw/zinc/15/54/95/395155495.db2.gz YJAGTQIJVRFMGE-CQSZACIVSA-N 1 1 276.380 2.223 20 10 CECDMO O=C(NCC1CC1)[C@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000179561388 395195371 /nfs/dbraw/zinc/19/53/71/395195371.db2.gz HTVFDSJKMPFGEU-HNNXBMFYSA-N 1 1 288.391 2.130 20 10 CECDMO CC[N@H+](Cc1ccccc1O)[C@@H](C)CS(=O)(=O)CC ZINC000179575245 395196662 /nfs/dbraw/zinc/19/66/62/395196662.db2.gz DGSRYLAUPYWZHJ-LBPRGKRZSA-N 1 1 285.409 2.037 20 10 CECDMO CC[N@@H+](Cc1ccccc1O)[C@@H](C)CS(=O)(=O)CC ZINC000179575245 395196666 /nfs/dbraw/zinc/19/66/66/395196666.db2.gz DGSRYLAUPYWZHJ-LBPRGKRZSA-N 1 1 285.409 2.037 20 10 CECDMO COCCCOCC[N@@H+](C)Cc1cc(C)ccc1O ZINC000181523876 395219272 /nfs/dbraw/zinc/21/92/72/395219272.db2.gz DVTAMAUVZFMTSI-UHFFFAOYSA-N 1 1 267.369 2.186 20 10 CECDMO C[NH+](C)CC(C)(C)CNCc1ccc2c(c1)CCO2 ZINC000037362478 260094565 /nfs/dbraw/zinc/09/45/65/260094565.db2.gz AMCHPLZKYAXGAK-UHFFFAOYSA-N 1 1 262.397 2.299 20 10 CECDMO Cc1n[nH]cc1C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000155199357 261099340 /nfs/dbraw/zinc/09/93/40/261099340.db2.gz RCLPSAHMKKNFRB-UHFFFAOYSA-N 1 1 258.369 2.416 20 10 CECDMO COc1ccc(O)c(C[N@@H+]2C[C@@H](N3CCCC3)C[C@@H]2C)c1 ZINC000289876197 263112603 /nfs/dbraw/zinc/11/26/03/263112603.db2.gz VXVMYJCLFSCHNP-ZFWWWQNUSA-N 1 1 290.407 2.459 20 10 CECDMO COc1ccc(O)c(C[N@H+]2C[C@@H](N3CCCC3)C[C@@H]2C)c1 ZINC000289876197 263112604 /nfs/dbraw/zinc/11/26/04/263112604.db2.gz VXVMYJCLFSCHNP-ZFWWWQNUSA-N 1 1 290.407 2.459 20 10 CECDMO Oc1ccc(F)cc1C[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000226584539 263199296 /nfs/dbraw/zinc/19/92/96/263199296.db2.gz XKPKCSLBUWOYIG-LLVKDONJSA-N 1 1 264.344 2.105 20 10 CECDMO CC[C@H](c1ccccc1O)[N@@H+](C)[C@H]1CCCCNC1=O ZINC000368021859 267135971 /nfs/dbraw/zinc/13/59/71/267135971.db2.gz MPZOSYBBUWJYFH-KGLIPLIRSA-N 1 1 276.380 2.444 20 10 CECDMO COc1ccc(O)c([C@@H](C)[N@H+]2CC[C@](O)(C3CC3)C2)c1 ZINC000368037159 267139185 /nfs/dbraw/zinc/13/91/85/267139185.db2.gz MEAYQNXHPALZMD-BDJLRTHQSA-N 1 1 277.364 2.309 20 10 CECDMO COCCOC[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000093753986 327199887 /nfs/dbraw/zinc/19/98/87/327199887.db2.gz IVPVSAXHDPLEJV-MRXNPFEDSA-N 1 1 292.423 2.238 20 10 CECDMO C[C@H]([NH2+][C@H]1CCc2[nH]cnc2C1)c1ccccc1O ZINC000377409039 329014663 /nfs/dbraw/zinc/01/46/63/329014663.db2.gz HIJMHBPETGSBGM-QWRGUYRKSA-N 1 1 257.337 2.323 20 10 CECDMO C[C@@H]([NH2+][C@H]1CCc2[nH]cnc2C1)c1cc(F)ccc1O ZINC000377798500 329030046 /nfs/dbraw/zinc/03/00/46/329030046.db2.gz IZXNWXZAUMYTES-KOLCDFICSA-N 1 1 275.327 2.463 20 10 CECDMO C[C@@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1cc(F)ccc1O ZINC000377798501 329030171 /nfs/dbraw/zinc/03/01/71/329030171.db2.gz IZXNWXZAUMYTES-MWLCHTKSSA-N 1 1 275.327 2.463 20 10 CECDMO CC[C@@H](c1ccccc1O)[N@H+]1CCOC[C@H]1CC(=O)OC ZINC000377870266 329032412 /nfs/dbraw/zinc/03/24/12/329032412.db2.gz TYZUZSNTAKEOMM-OCCSQVGLSA-N 1 1 293.363 2.107 20 10 CECDMO Cc1cccc(C[N@H+]2CCC[C@@H](Cn3ccnn3)C2)c1O ZINC000180773525 329222952 /nfs/dbraw/zinc/22/29/52/329222952.db2.gz HSRSUXHMHMKIME-CQSZACIVSA-N 1 1 286.379 2.204 20 10 CECDMO C[C@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1ccc(F)cc1O ZINC000186115050 329338146 /nfs/dbraw/zinc/33/81/46/329338146.db2.gz KHFJJLONKLMDMN-CABZTGNLSA-N 1 1 275.327 2.463 20 10 CECDMO CC[C@H]([NH2+][C@H](C)c1ncn(C)n1)c1ccccc1O ZINC000275720047 334793897 /nfs/dbraw/zinc/79/38/97/334793897.db2.gz NOWIRKOPFMWTEA-PWSUYJOCSA-N 1 1 260.341 2.323 20 10 CECDMO CC(=O)c1cc(F)cc(C[N@@H+]2CCCO[C@H](C)C2)c1O ZINC000061919860 518283164 /nfs/dbraw/zinc/28/31/64/518283164.db2.gz 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ZINC000835027302 638031358 /nfs/dbraw/zinc/03/13/58/638031358.db2.gz KUBGPBLNAHSTIR-VOTSOKGWSA-N 1 1 289.423 2.224 20 10 CECDMO CN(C)c1ccc(/C=C\C[N@@H+]2CCN3C(=O)CC[C@H]3C2)cc1 ZINC000835028817 638031389 /nfs/dbraw/zinc/03/13/89/638031389.db2.gz SQUHEDVCBXEEQK-LIMHQNJXSA-N 1 1 299.418 2.072 20 10 CECDMO CN(C)c1ccc(/C=C\C[N@H+]2CCN3C(=O)CC[C@H]3C2)cc1 ZINC000835028817 638031393 /nfs/dbraw/zinc/03/13/93/638031393.db2.gz SQUHEDVCBXEEQK-LIMHQNJXSA-N 1 1 299.418 2.072 20 10 CECDMO CN(C)c1ccc(/C=C\C[NH2+]Cc2nnc3n2CCC3)cc1 ZINC000835035191 638033240 /nfs/dbraw/zinc/03/32/40/638033240.db2.gz GOTYCNMFOICTIE-HYXAFXHYSA-N 1 1 297.406 2.093 20 10 CECDMO Cc1nc(CC[NH2+]C/C=C/c2ccc(N(C)C)cc2)n[nH]1 ZINC000835045372 638036479 /nfs/dbraw/zinc/03/64/79/638036479.db2.gz VJNOKANRMHDXGB-SNAWJCMRSA-N 1 1 285.395 2.025 20 10 CECDMO Cc1nnc(CC[NH2+]C/C=C/c2ccc(N(C)C)cc2)[nH]1 ZINC000835045372 638036483 /nfs/dbraw/zinc/03/64/83/638036483.db2.gz VJNOKANRMHDXGB-SNAWJCMRSA-N 1 1 285.395 2.025 20 10 CECDMO Cc1ccc(C[N@H+]2CCC[C@@H](N3CCCC3=O)C2)c(O)c1 ZINC000876715734 650408688 /nfs/dbraw/zinc/40/86/88/650408688.db2.gz RWLPAWGKNHJNDL-OAHLLOKOSA-N 1 1 288.391 2.287 20 10 CECDMO Cc1ccc(O)c(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)c1 ZINC000913000311 639170006 /nfs/dbraw/zinc/17/00/06/639170006.db2.gz GRWVWDQOGMDXGN-GJZGRUSLSA-N 1 1 288.391 2.334 20 10 CECDMO CCOc1cccc(C[NH2+]C[C@@H]2CCCN(C)C2)c1O ZINC000044535077 639321680 /nfs/dbraw/zinc/32/16/80/639321680.db2.gz XYAMJRBZWKBCHG-ZDUSSCGKSA-N 1 1 278.396 2.222 20 10 CECDMO CC(=O)N1CC[C@H](C[N@H+](C)Cc2cc(C)c(C)cc2O)C1 ZINC000165139460 639416942 /nfs/dbraw/zinc/41/69/42/639416942.db2.gz OYYHCTSMUAYHKX-OAHLLOKOSA-N 1 1 290.407 2.309 20 10 CECDMO COC(=O)[C@H]1CC[N@@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000840911211 639582078 /nfs/dbraw/zinc/58/20/78/639582078.db2.gz XKGUEAABVKONJG-JTQLQIEISA-N 1 1 283.755 2.349 20 10 CECDMO CNC(=O)CCC[N@@H+](C)Cc1c(O)cc(C)cc1Cl ZINC000840918345 639585662 /nfs/dbraw/zinc/58/56/62/639585662.db2.gz ZZFYRRKVRXDOLE-UHFFFAOYSA-N 1 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CECDMO COc1cccc(O)c1C[NH2+]Cc1cc(C2CC2)n(C)n1 ZINC000922956799 643479753 /nfs/dbraw/zinc/47/97/53/643479753.db2.gz AMUITPPJISZRCW-UHFFFAOYSA-N 1 1 287.363 2.302 20 10 CECDMO CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cc(C)c(C)cc1O ZINC000877673310 650844915 /nfs/dbraw/zinc/84/49/15/650844915.db2.gz DGKVXBJIXKSXJZ-INIZCTEOSA-N 1 1 290.407 2.500 20 10 CECDMO CCOC(=O)C12CC(C1)C[N@@H+]2Cc1ccc(N(C)C)cc1 ZINC000852707359 643520288 /nfs/dbraw/zinc/52/02/88/643520288.db2.gz GTLVLRDKUKOGBK-UHFFFAOYSA-N 1 1 288.391 2.280 20 10 CECDMO CCOC(=O)C12CC(C1)C[N@H+]2Cc1ccc(N(C)C)cc1 ZINC000852707359 643520292 /nfs/dbraw/zinc/52/02/92/643520292.db2.gz GTLVLRDKUKOGBK-UHFFFAOYSA-N 1 1 288.391 2.280 20 10 CECDMO O=C1CC[N@@H+](Cc2cc(F)ccc2O)CCCCCCN1 ZINC000877685924 650851351 /nfs/dbraw/zinc/85/13/51/650851351.db2.gz KVIPRIHJGKBKAM-UHFFFAOYSA-N 1 1 294.370 2.414 20 10 CECDMO Cc1cccc(O)c1C[N@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000877694023 650854911 /nfs/dbraw/zinc/85/49/11/650854911.db2.gz XHKHEEKQCSCQRG-CMPLNLGQSA-N 1 1 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CC[C@@H]1[C@@H](CO)CC[N@H+]1Cc1ccc(OC)c(OC)c1O ZINC000894687452 629589111 /nfs/dbraw/zinc/58/91/11/629589111.db2.gz HETRWZXJYWGTGB-CHWSQXEVSA-N 1 1 295.379 2.002 20 10 CECDMO COc1ccc(C[N@H+]2CC[C@H](SC)C2)c(O)c1OC ZINC000894691863 629590485 /nfs/dbraw/zinc/59/04/85/629590485.db2.gz IQEUKXKVAIGXNS-NSHDSACASA-N 1 1 283.393 2.347 20 10 CECDMO COc1ccc(C[NH+]2CC(C(F)(F)F)C2)c(O)c1OC ZINC000894710128 629605091 /nfs/dbraw/zinc/60/50/91/629605091.db2.gz AOZNPPPOPVWQJW-UHFFFAOYSA-N 1 1 291.269 2.404 20 10 CECDMO Oc1cc2c(cc1C[N@H+]1CCC[C@@H]1C1OCCO1)CCC2 ZINC000902622528 634749252 /nfs/dbraw/zinc/74/92/52/634749252.db2.gz NCXXYCMNZKIHAJ-OAHLLOKOSA-N 1 1 289.375 2.218 20 10 CECDMO CC[N@H+]1CCN(Cc2cc(F)cc(F)c2[O-])[C@H](C)C1 ZINC000894745194 629615022 /nfs/dbraw/zinc/61/50/22/629615022.db2.gz BPRWVPGEUAHWJZ-SNVBAGLBSA-N 1 1 270.323 2.196 20 10 CECDMO CC[N@@H+]1CCN(Cc2cc(F)cc(F)c2O)[C@H](C)C1 ZINC000894745194 629615028 /nfs/dbraw/zinc/61/50/28/629615028.db2.gz BPRWVPGEUAHWJZ-SNVBAGLBSA-N 1 1 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PETLCGFDHLCRHT-CQSZACIVSA-N 1 1 261.413 2.279 20 10 CECDMO CCN1CC[N@@H+](Cc2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000796316770 629842564 /nfs/dbraw/zinc/84/25/64/629842564.db2.gz PETLCGFDHLCRHT-CQSZACIVSA-N 1 1 261.413 2.279 20 10 CECDMO CC[N@@H+](Cc1cnc[nH]1)Cc1ccc(N(C)C)cc1 ZINC000796438693 629903607 /nfs/dbraw/zinc/90/36/07/629903607.db2.gz COZIAFFRBSQEKR-UHFFFAOYSA-N 1 1 258.369 2.498 20 10 CECDMO CC[N@H+](Cc1c[nH]cn1)Cc1ccc(N(C)C)cc1 ZINC000796438693 629903618 /nfs/dbraw/zinc/90/36/18/629903618.db2.gz COZIAFFRBSQEKR-UHFFFAOYSA-N 1 1 258.369 2.498 20 10 CECDMO CC[N@@H+](Cc1c[nH]cn1)Cc1ccc(N(C)C)cc1 ZINC000796438693 629903620 /nfs/dbraw/zinc/90/36/20/629903620.db2.gz COZIAFFRBSQEKR-UHFFFAOYSA-N 1 1 258.369 2.498 20 10 CECDMO CC[C@H]([NH2+][C@H]1CCC[C@@H]1C(=O)NC)c1ccc(F)cc1O ZINC000796852614 630039598 /nfs/dbraw/zinc/03/95/98/630039598.db2.gz KKKSNRBGRFQCIS-IHRRRGAJSA-N 1 1 294.370 2.487 20 10 CECDMO CC[C@@H]([NH2+][C@H](CO)C1CCOCC1)c1ccc(F)cc1O ZINC000796935887 630074209 /nfs/dbraw/zinc/07/42/09/630074209.db2.gz GYSHUXAUACCRBB-HUUCEWRRSA-N 1 1 297.370 2.360 20 10 CECDMO COc1cc(C)cc(C[N@H+]2C[C@H](C)[C@](C)(CO)C2)c1O ZINC000895345871 630127337 /nfs/dbraw/zinc/12/73/37/630127337.db2.gz WYTJJFAVKDWBDG-LRDDRELGSA-N 1 1 279.380 2.160 20 10 CECDMO COc1cc(C)cc(C[N@H+]2CC[C@@H](C(C)(C)O)C2)c1O ZINC000895477318 630213034 /nfs/dbraw/zinc/21/30/34/630213034.db2.gz HSTJYKZJMRRZER-CYBMUJFWSA-N 1 1 279.380 2.302 20 10 CECDMO CCN(CC)c1ccc(C[N@H+]2C[C@H]3C[C@@]3(O)C2)cc1 ZINC000895646666 630282639 /nfs/dbraw/zinc/28/26/39/630282639.db2.gz HSZSRCYAYVIJLF-GDBMZVCRSA-N 1 1 260.381 2.099 20 10 CECDMO Cc1nc([C@H]2CC[N@@H+](Cc3cc(F)ccc3O)C2)no1 ZINC000896236876 630508192 /nfs/dbraw/zinc/50/81/92/630508192.db2.gz JQIOJJLSIMEMRS-JTQLQIEISA-N 1 1 277.299 2.212 20 10 CECDMO CC1(O)CCC([NH2+]Cc2c(O)cccc2F)CC1 ZINC000896637701 630621923 /nfs/dbraw/zinc/62/19/23/630621923.db2.gz GCVIGHUTNXRWPE-UHFFFAOYSA-N 1 1 253.317 2.315 20 10 CECDMO CCOC(=O)N1CCC([NH2+]Cc2c(O)cccc2F)CC1 ZINC000896640300 630622227 /nfs/dbraw/zinc/62/22/27/630622227.db2.gz JIMGUUVFDJLKGQ-UHFFFAOYSA-N 1 1 296.342 2.242 20 10 CECDMO CN(C)c1ccc(C[N@H+]2CC[C@@](O)(C(F)F)C2)cc1F ZINC000824726393 635485594 /nfs/dbraw/zinc/48/55/94/635485594.db2.gz LIMDSQJJNVSGTN-AWEZNQCLSA-N 1 1 288.313 2.094 20 10 CECDMO CC[C@@H](C)[N@H+](CC(=O)OC)Cc1cc(F)ccc1O ZINC000798954968 630955250 /nfs/dbraw/zinc/95/52/50/630955250.db2.gz IKLVTYGILXQNSZ-SNVBAGLBSA-N 1 1 269.316 2.305 20 10 CECDMO CC[C@@H](C)[N@@H+](CC(=O)OC)Cc1cc(F)ccc1O ZINC000798954968 630955251 /nfs/dbraw/zinc/95/52/51/630955251.db2.gz IKLVTYGILXQNSZ-SNVBAGLBSA-N 1 1 269.316 2.305 20 10 CECDMO COc1cccc(O)c1C[NH2+]Cc1ncnn1C(C)(C)C ZINC000800293997 631107585 /nfs/dbraw/zinc/10/75/85/631107585.db2.gz RLAREMJDLHKIRQ-UHFFFAOYSA-N 1 1 290.367 2.037 20 10 CECDMO Cc1cc(C[N@@H+]2CC(=O)N[C@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000840132824 631943777 /nfs/dbraw/zinc/94/37/77/631943777.db2.gz LDSNVLRVWIVFLF-GFCCVEGCSA-N 1 1 290.407 2.318 20 10 CECDMO Cc1cc(C[N@H+]2CC(=O)N[C@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000840132824 631943781 /nfs/dbraw/zinc/94/37/81/631943781.db2.gz LDSNVLRVWIVFLF-GFCCVEGCSA-N 1 1 290.407 2.318 20 10 CECDMO COc1nn(C)cc1C[NH2+]Cc1c(O)cccc1Cl ZINC000898028784 632021764 /nfs/dbraw/zinc/02/17/64/632021764.db2.gz XZEAKYBZAKDMAK-UHFFFAOYSA-N 1 1 281.743 2.078 20 10 CECDMO Oc1ccc2ccncc2c1C[N@H+]1CCO[C@H](CF)C1 ZINC000840173586 632088270 /nfs/dbraw/zinc/08/82/70/632088270.db2.gz ZYICJEDEFROWJY-GFCCVEGCSA-N 1 1 276.311 2.111 20 10 CECDMO Oc1c(C[N@@H+]2CC[C@@H](O)[C@@H](F)C2)ccc2ccccc21 ZINC000898189558 632104747 /nfs/dbraw/zinc/10/47/47/632104747.db2.gz VJNWXDXCKLMTJM-LSDHHAIUSA-N 1 1 275.323 2.450 20 10 CECDMO CCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccccc1O ZINC000809691954 632127822 /nfs/dbraw/zinc/12/78/22/632127822.db2.gz USBGSBHUGZHZGV-AWEZNQCLSA-N 1 1 292.379 2.493 20 10 CECDMO CCOc1ccc(C[N@H+](C)CCN2CCCC2)c(O)c1 ZINC000809738046 632135457 /nfs/dbraw/zinc/13/54/57/632135457.db2.gz QHQSZJSTIZAIBW-UHFFFAOYSA-N 1 1 278.396 2.319 20 10 CECDMO CCOc1ccc(C[N@@H+](C)CCN2CCCC2)c(O)c1 ZINC000809738046 632135460 /nfs/dbraw/zinc/13/54/60/632135460.db2.gz QHQSZJSTIZAIBW-UHFFFAOYSA-N 1 1 278.396 2.319 20 10 CECDMO CCCC[N@@H+](CCCO)Cc1cc(OC)ccc1O ZINC000809752597 632140961 /nfs/dbraw/zinc/14/09/61/632140961.db2.gz SRZSJRWYGIPYTJ-UHFFFAOYSA-N 1 1 267.369 2.385 20 10 CECDMO COc1cccc(CN(C)CC(C)(C)C[NH+](C)C)c1O ZINC000898309059 632167224 /nfs/dbraw/zinc/16/72/24/632167224.db2.gz JMOOPEYGJCMMHS-UHFFFAOYSA-N 1 1 280.412 2.420 20 10 CECDMO CN(C)CC(C)(C)C[N@H+](C)Cc1ccccc1O ZINC000898310649 632167252 /nfs/dbraw/zinc/16/72/52/632167252.db2.gz ZCKBPRKVEOKVBY-UHFFFAOYSA-N 1 1 250.386 2.412 20 10 CECDMO CN(C)CC(C)(C)C[N@@H+](C)Cc1ccccc1O ZINC000898310649 632167255 /nfs/dbraw/zinc/16/72/55/632167255.db2.gz ZCKBPRKVEOKVBY-UHFFFAOYSA-N 1 1 250.386 2.412 20 10 CECDMO CN(Cc1ccccc1O)CC(C)(C)C[NH+](C)C ZINC000898310649 632167256 /nfs/dbraw/zinc/16/72/56/632167256.db2.gz ZCKBPRKVEOKVBY-UHFFFAOYSA-N 1 1 250.386 2.412 20 10 CECDMO C[C@@H]([NH2+]Cc1cncn1C)c1cc(F)cc(F)c1O ZINC000810244297 632198335 /nfs/dbraw/zinc/19/83/35/632198335.db2.gz ZPEJNTXDLQIDJY-MRVPVSSYSA-N 1 1 267.279 2.255 20 10 CECDMO Cc1ccncc1C[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000841042714 632322940 /nfs/dbraw/zinc/32/29/40/632322940.db2.gz MQSNNCXPXVZFCI-QGZVFWFLSA-N 1 1 284.407 2.246 20 10 CECDMO C[C@H]1CC[NH2+]C[C@@H]1NCc1c(O)ccc(Cl)c1F ZINC000841057975 632360457 /nfs/dbraw/zinc/36/04/57/632360457.db2.gz CKCBNABPNZGJHB-KWQFWETISA-N 1 1 272.751 2.272 20 10 CECDMO Cc1cn[nH]c1CN(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000811490841 632390295 /nfs/dbraw/zinc/39/02/95/632390295.db2.gz XOSBHRATNIPLOQ-UHFFFAOYSA-N 1 1 288.395 2.295 20 10 CECDMO C[C@@H]([NH2+]CCO[C@@H]1CCOC1)c1cc(F)cc(F)c1O ZINC000927081881 632449730 /nfs/dbraw/zinc/44/97/30/632449730.db2.gz YAWXVNYTFRGSPO-MWLCHTKSSA-N 1 1 287.306 2.127 20 10 CECDMO Cc1cc(C[N@H+]2CCC[C@@H]2CCO)ccc1N(C)C ZINC000815095611 632957934 /nfs/dbraw/zinc/95/79/34/632957934.db2.gz FDMROOMTJKHSFJ-OAHLLOKOSA-N 1 1 262.397 2.408 20 10 CECDMO Cc1cc(C[N@@H+]2CC[C@H](C)C[C@@H]2C(N)=O)ccc1N(C)C ZINC000815095165 632958092 /nfs/dbraw/zinc/95/80/92/632958092.db2.gz AMUJVLPQKGKLMP-BLLLJJGKSA-N 1 1 289.423 2.147 20 10 CECDMO Cc1cc(C[N@H+](CCO)[C@H]2CCO[C@@H]2C)ccc1N(C)C ZINC000815105977 632960765 /nfs/dbraw/zinc/96/07/65/632960765.db2.gz NXYHKSQZKVVFST-PBHICJAKSA-N 1 1 292.423 2.033 20 10 CECDMO CCN(C)c1ccc(C[N@@H+](CCOCCO)C(C)C)cc1 ZINC000815112116 632961117 /nfs/dbraw/zinc/96/11/17/632961117.db2.gz LDJQKYPRMQBGKC-UHFFFAOYSA-N 1 1 294.439 2.362 20 10 CECDMO C[C@H]([NH2+]CCOCCO)c1cccc(C(F)(F)F)c1O ZINC000815553429 633031155 /nfs/dbraw/zinc/03/11/55/633031155.db2.gz ACJLJQTVVVTJNR-VIFPVBQESA-N 1 1 293.285 2.071 20 10 CECDMO OC[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)C1CC1 ZINC000816551852 633411011 /nfs/dbraw/zinc/41/10/11/633411011.db2.gz QQLQSMCNQXOKEW-NSHDSACASA-N 1 1 259.708 2.045 20 10 CECDMO CC1(C)OCC([NH2+]Cc2cc(Cl)c(F)cc2O)CO1 ZINC000816569497 633415289 /nfs/dbraw/zinc/41/52/89/633415289.db2.gz 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270.380 2.123 20 10 CECDMO CC[C@@H]1C[N@H+](Cc2cccc(C)c2O)C[C@@H](C)[S@]1=O ZINC000289953797 328257118 /nfs/dbraw/zinc/25/71/18/328257118.db2.gz YSRZXTRWTPDJKC-BBEGDGIKSA-N 1 1 281.421 2.432 20 10 CECDMO CC[C@@H]1C[N@@H+](Cc2cccc(C)c2O)C[C@@H](C)[S@]1=O ZINC000289953797 328257120 /nfs/dbraw/zinc/25/71/20/328257120.db2.gz YSRZXTRWTPDJKC-BBEGDGIKSA-N 1 1 281.421 2.432 20 10 CECDMO CC[C@@H](c1ccccc1O)[N@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000377622676 329021393 /nfs/dbraw/zinc/02/13/93/329021393.db2.gz IJDHETJJZDLGGF-XJKSGUPXSA-N 1 1 274.364 2.055 20 10 CECDMO Cc1cccc(C[NH2+][C@@H]2CCc3cn[nH]c3C2)c1O ZINC000378457134 329051456 /nfs/dbraw/zinc/05/14/56/329051456.db2.gz PXXGYKFDAJKYHL-CYBMUJFWSA-N 1 1 257.337 2.071 20 10 CECDMO Cc1cccc(C[N@@H+]2Cc3ccccc3C[C@H]2C(N)=O)c1O ZINC000179602043 329210364 /nfs/dbraw/zinc/21/03/64/329210364.db2.gz OEDGVFFALPVIDT-INIZCTEOSA-N 1 1 296.370 2.113 20 10 CECDMO Cc1cccc(C[N@H+]2Cc3ccccc3C[C@H]2C(N)=O)c1O ZINC000179602043 329210366 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C[N@@H+]1Cc2ccccc2[C@H](NC(=O)c2cccc(O)c2O)C1 ZINC000369082900 524029606 /nfs/dbraw/zinc/02/96/06/524029606.db2.gz GWRZTLKGQAPWIP-CQSZACIVSA-N 1 1 298.342 2.014 20 10 CECDMO CNC(=O)CC[C@H]1CCCC[N@H+]1Cc1ccccc1O ZINC000289518586 524069925 /nfs/dbraw/zinc/06/99/25/524069925.db2.gz HBAYKDMENCZNLE-CQSZACIVSA-N 1 1 276.380 2.273 20 10 CECDMO CNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000293193804 524115124 /nfs/dbraw/zinc/11/51/24/524115124.db2.gz TZTWQSHEBYZRGT-HNNXBMFYSA-N 1 1 289.423 2.019 20 10 CECDMO C[C@H](CC[S@@](C)=O)[NH2+][C@H](C)c1ccc(F)cc1O ZINC000252815240 524229017 /nfs/dbraw/zinc/22/90/17/524229017.db2.gz UWEBFDITFIEQRO-CLFVBBPSSA-N 1 1 273.373 2.339 20 10 CECDMO C[C@H](CN1CCCC1=O)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000062747749 524325825 /nfs/dbraw/zinc/32/58/25/524325825.db2.gz UTXBIPZCMVBGJW-MNOVXSKESA-N 1 1 280.343 2.193 20 10 CECDMO C[C@H](C[S@](C)=O)[N@@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000275321166 524673289 /nfs/dbraw/zinc/67/32/89/524673289.db2.gz 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/nfs/dbraw/zinc/93/80/09/525938009.db2.gz JXOXXCRQJOIYNX-GFCCVEGCSA-N 1 1 289.335 2.429 20 10 CECDMO Oc1ccccc1C[NH+]1CC(O)(c2ccc(F)cc2)C1 ZINC000365670107 526371754 /nfs/dbraw/zinc/37/17/54/526371754.db2.gz DVZRHVFOKVKSAS-UHFFFAOYSA-N 1 1 273.307 2.235 20 10 CECDMO CC[C@H](C)[N@@H+](C)CCNC(=O)N1Cc2cccc(O)c2C1 ZINC000875216293 649893799 /nfs/dbraw/zinc/89/37/99/649893799.db2.gz WAGUXESMKVIBEW-LBPRGKRZSA-N 1 1 291.395 2.148 20 10 CECDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C2=CC(=O)CS2)C1 ZINC000746409920 575156010 /nfs/dbraw/zinc/15/60/10/575156010.db2.gz SVLQGVBVZYJADJ-LBPRGKRZSA-N 1 1 294.420 2.258 20 10 CECDMO C[N@H+](Cc1c(O)ccc2ccncc21)C[C@@H]1CCOC1 ZINC000749966098 575242060 /nfs/dbraw/zinc/24/20/60/575242060.db2.gz JBKWPPGEXYGCMI-LBPRGKRZSA-N 1 1 272.348 2.409 20 10 CECDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H](C3OCCO3)C2)cc1 ZINC000179365688 625392446 /nfs/dbraw/zinc/39/24/46/625392446.db2.gz BHKUWECRHPNSHP-OAHLLOKOSA-N 1 1 290.407 2.338 20 10 CECDMO COc1cc(O)c(C[N@H+]2CCC[C@@H]2C[C@@H](C)O)cc1OC ZINC000160478506 623338818 /nfs/dbraw/zinc/33/88/18/623338818.db2.gz MPFQWUNKXICTQM-DGCLKSJQSA-N 1 1 295.379 2.145 20 10 CECDMO COc1cc(C[N@H+]2CCOC3(CCC3)C2)c(O)cc1C ZINC000160525011 623378653 /nfs/dbraw/zinc/37/86/53/623378653.db2.gz GGORRGQLFOVRSB-UHFFFAOYSA-N 1 1 277.364 2.464 20 10 CECDMO COc1ccc(C[N@@H+](C)[C@H]2CCSC2)c(O)c1OC ZINC000891602591 623820015 /nfs/dbraw/zinc/82/00/15/623820015.db2.gz QZECVYNUDZBZRZ-NSHDSACASA-N 1 1 283.393 2.347 20 10 CECDMO CN(C)c1ccc(C[N@@H+](C)CC2CC(O)C2)cc1F ZINC000276777811 625248271 /nfs/dbraw/zinc/24/82/71/625248271.db2.gz PEPWKFGQXKBLSX-UHFFFAOYSA-N 1 1 266.360 2.094 20 10 CECDMO CCCN(Cc1ccccc1O)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000820878339 634558972 /nfs/dbraw/zinc/55/89/72/634558972.db2.gz ICVNUGAJDYJKPW-AWEZNQCLSA-N 1 1 290.407 2.473 20 10 CECDMO CCC[N@@H+](CCCCS(C)(=O)=O)Cc1ccccc1O ZINC000162295302 627324344 /nfs/dbraw/zinc/32/43/44/627324344.db2.gz KHEAOXYNCSRYEI-UHFFFAOYSA-N 1 1 299.436 2.429 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CCOc1cccc(C[NH2+]C[C@H]2CCCN(C)C2)c1O ZINC000044535079 639321702 /nfs/dbraw/zinc/32/17/02/639321702.db2.gz XYAMJRBZWKBCHG-CYBMUJFWSA-N 1 1 278.396 2.222 20 10 CECDMO Cc1cc(O)c(C[NH2+]Cc2ccn(C)n2)c(Cl)c1 ZINC000840908735 639576142 /nfs/dbraw/zinc/57/61/42/639576142.db2.gz ZHGUWPHAPPZOAE-UHFFFAOYSA-N 1 1 265.744 2.377 20 10 CECDMO Cc1cc(N(C)C)ccc1C[N@H+](C)CC[C@H](C)O ZINC000840917770 639585551 /nfs/dbraw/zinc/58/55/51/639585551.db2.gz MMMQWYUDCYTKEY-ZDUSSCGKSA-N 1 1 250.386 2.264 20 10 CECDMO COc1c(O)c(C[NH2+][C@@H]2CS[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000840958576 639600857 /nfs/dbraw/zinc/60/08/57/639600857.db2.gz MVFZRZVMPHVVHY-WPRPVWTQSA-N 1 1 298.364 2.293 20 10 CECDMO Cc1cc(Cl)cc(CNC[C@H]([NH3+])C(C)C)c1O ZINC000841029468 639621723 /nfs/dbraw/zinc/62/17/23/639621723.db2.gz HKPGTWAMKAMZJO-LBPRGKRZSA-N 1 1 256.777 2.427 20 10 CECDMO [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000841031323 639622187 /nfs/dbraw/zinc/62/21/87/639622187.db2.gz ROTYXBNHUPSCTB-GXFFZTMASA-N 1 1 252.333 2.138 20 10 CECDMO Cc1ccc(C[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)cn1 ZINC000841041787 639630221 /nfs/dbraw/zinc/63/02/21/639630221.db2.gz CDETVEOJHDYLAB-KRWDZBQOSA-N 1 1 284.407 2.246 20 10 CECDMO COc1ccc(CNC[C@]2(C)CCC[NH2+]C2)cc1C ZINC000841058375 639635477 /nfs/dbraw/zinc/63/54/77/639635477.db2.gz WPQPSOHBUKJJHP-MRXNPFEDSA-N 1 1 262.397 2.483 20 10 CECDMO COc1cc(Cl)cc(CN[C@@H]2CC[NH2+][C@H](C)C2)c1O ZINC000841061224 639636572 /nfs/dbraw/zinc/63/65/72/639636572.db2.gz HCBSJSHTXICCGT-BXKDBHETSA-N 1 1 284.787 2.284 20 10 CECDMO C[C@@H]1C[NH2+]CC[C@@H]1NC/C=C/c1ccc(N(C)C)cc1 ZINC000841063994 639639430 /nfs/dbraw/zinc/63/94/30/639639430.db2.gz NRNTYMKQLCJRHJ-ROHVMALMSA-N 1 1 273.424 2.353 20 10 CECDMO [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC000841085211 639650758 /nfs/dbraw/zinc/65/07/58/639650758.db2.gz XBATVYFPUSDYIF-BXKDBHETSA-N 1 1 254.761 2.263 20 10 CECDMO CCCN(CCC)c1ccc(CN(C)C[C@@H](O)C[NH3+])cc1 ZINC000841094395 639655604 /nfs/dbraw/zinc/65/56/04/639655604.db2.gz XORHPTSTPMOFNE-KRWDZBQOSA-N 1 1 293.455 2.064 20 10 CECDMO COc1cc(O)c(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)cc1OC ZINC000842627258 640124598 /nfs/dbraw/zinc/12/45/98/640124598.db2.gz UYHVLIVEBMTBSE-RISCZKNCSA-N 1 1 293.363 2.020 20 10 CECDMO [NH3+]C[C@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000843047170 640250783 /nfs/dbraw/zinc/25/07/83/640250783.db2.gz HXIPKMZCMLKAFR-SECBINFHSA-N 1 1 272.751 2.355 20 10 CECDMO [NH3+]C[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000843047170 640250789 /nfs/dbraw/zinc/25/07/89/640250789.db2.gz HXIPKMZCMLKAFR-SECBINFHSA-N 1 1 272.751 2.355 20 10 CECDMO [NH3+]C[C@@H]1CCC[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000843046836 640250842 /nfs/dbraw/zinc/25/08/42/640250842.db2.gz BVWFONUPOAPGPB-VIFPVBQESA-N 1 1 299.758 2.125 20 10 CECDMO [NH3+]C[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000843046836 640250846 /nfs/dbraw/zinc/25/08/46/640250846.db2.gz BVWFONUPOAPGPB-VIFPVBQESA-N 1 1 299.758 2.125 20 10 CECDMO CN(C)c1ccc(/C=C/CN2CC[C@H](C[NH3+])C2)cc1 ZINC000843048311 640252024 /nfs/dbraw/zinc/25/20/24/640252024.db2.gz IPRHULVVUQSORL-NHZBNJEXSA-N 1 1 259.397 2.046 20 10 CECDMO Cc1cc(Cl)cc(CN2CC[C@@H](C[NH3+])C2)c1O ZINC000843048229 640252160 /nfs/dbraw/zinc/25/21/60/640252160.db2.gz CQAIBTYFTDGGGK-JTQLQIEISA-N 1 1 254.761 2.135 20 10 CECDMO C[NH2+]C[C@H]1CCN(C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000843052090 640254864 /nfs/dbraw/zinc/25/48/64/640254864.db2.gz FZMTYAKJEBDMOK-DWTRPJMMSA-N 1 1 273.424 2.307 20 10 CECDMO C[NH2+]C[C@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000843053305 640256622 /nfs/dbraw/zinc/25/66/22/640256622.db2.gz UTMMNXVVAASPCV-SNVBAGLBSA-N 1 1 254.761 2.087 20 10 CECDMO C[NH2+]C[C@H]1CCCN1Cc1cccc(Cl)c1O ZINC000843056162 640258368 /nfs/dbraw/zinc/25/83/68/640258368.db2.gz VZGYFDPQOYPYPF-LLVKDONJSA-N 1 1 254.761 2.229 20 10 CECDMO CCOc1ccc(C[N@H+]2C[C@H]3CCC[C@@H](C2)N3)c(O)c1 ZINC000843105121 640282346 /nfs/dbraw/zinc/28/23/46/640282346.db2.gz PEGSQHBNDUNPCV-OKILXGFUSA-N 1 1 276.380 2.117 20 10 CECDMO CCOc1ccc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)N3)c(O)c1 ZINC000843105121 640282349 /nfs/dbraw/zinc/28/23/49/640282349.db2.gz PEGSQHBNDUNPCV-OKILXGFUSA-N 1 1 276.380 2.117 20 10 CECDMO C[C@]1(C[NH3+])CC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000843114530 640285702 /nfs/dbraw/zinc/28/57/02/640285702.db2.gz CYUXWNXMMZJRRX-CYBMUJFWSA-N 1 1 299.212 2.325 20 10 CECDMO C[C@@]1(C[NH3+])CCN(Cc2c(O)ccc(Cl)c2F)C1 ZINC000843116545 640286308 /nfs/dbraw/zinc/28/63/08/640286308.db2.gz ZGQKYXRXSSMKFP-ZDUSSCGKSA-N 1 1 272.751 2.355 20 10 CECDMO C[N@@H+](Cc1cccc(Cl)c1[O-])C1(C[NH3+])CCC1 ZINC000843124691 640290358 /nfs/dbraw/zinc/29/03/58/640290358.db2.gz FLKZYJXHISIWKY-UHFFFAOYSA-N 1 1 254.761 2.359 20 10 CECDMO CN(C)c1ccc(C[N@H+]2CC[C@H](Nc3ncccn3)C2)cc1 ZINC000843414899 640419587 /nfs/dbraw/zinc/41/95/87/640419587.db2.gz FBQVKKMCJGAXTA-HNNXBMFYSA-N 1 1 297.406 2.229 20 10 CECDMO COCC[C@H](C)[N@@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844400655 640708187 /nfs/dbraw/zinc/70/81/87/640708187.db2.gz FOYVIKHIXMMXCF-AWEZNQCLSA-N 1 1 280.412 2.488 20 10 CECDMO COc1ccc(N(C)CC[N@@H+](C)CC[C@H]2CCOC2)cc1 ZINC000844401896 640708311 /nfs/dbraw/zinc/70/83/11/640708311.db2.gz PPFJKDQVTLBUJA-HNNXBMFYSA-N 1 1 292.423 2.490 20 10 CECDMO COC(=O)[C@@H](C)C[N@@H+](Cc1ccc(C)cc1O)C1CC1 ZINC000877171086 650608395 /nfs/dbraw/zinc/60/83/95/650608395.db2.gz YQAVRZDZBXDWBI-LBPRGKRZSA-N 1 1 277.364 2.474 20 10 CECDMO [NH3+]CC1(CC[NH2+]Cc2cc(Cl)ccc2[O-])CC1 ZINC000844903071 640861209 /nfs/dbraw/zinc/86/12/09/640861209.db2.gz ZNYJNZHUJSBMLB-UHFFFAOYSA-N 1 1 254.761 2.264 20 10 CECDMO COC[C@H](C)C[N@@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000846053551 641166291 /nfs/dbraw/zinc/16/62/91/641166291.db2.gz ZJPVDSGIOWHCPH-CQSZACIVSA-N 1 1 280.412 2.346 20 10 CECDMO CC[C@@H]([NH2+]CC[C@]1(O)CCOC1)c1ccc(F)cc1O ZINC000846195135 641219422 /nfs/dbraw/zinc/21/94/22/641219422.db2.gz XHGMDCQYGBYLKS-HIFRSBDPSA-N 1 1 283.343 2.114 20 10 CECDMO CC[C@@H]1C[N@H+](C)CCCN1C(=O)C1=CC(=O)CS1 ZINC000846987768 641510445 /nfs/dbraw/zinc/51/04/45/641510445.db2.gz IIDKWRVSOSJABK-SNVBAGLBSA-N 1 1 268.382 2.010 20 10 CECDMO CC[C@@H]1C[N@@H+](C)CCCN1C(=O)C1=CC(=O)CS1 ZINC000846987768 641510447 /nfs/dbraw/zinc/51/04/47/641510447.db2.gz IIDKWRVSOSJABK-SNVBAGLBSA-N 1 1 268.382 2.010 20 10 CECDMO CC(=O)N1CC[N@@H+](Cc2cccc(C)c2O)C(C)(C)C1 ZINC000182085240 641622701 /nfs/dbraw/zinc/62/27/01/641622701.db2.gz FFQRAYZKVXCZET-UHFFFAOYSA-N 1 1 276.380 2.143 20 10 CECDMO CC(=O)N1CC[N@@H+](Cc2cc(C)ccc2O)C(C)(C)C1 ZINC000184725755 641900079 /nfs/dbraw/zinc/90/00/79/641900079.db2.gz MRMCVEQKZUXHAD-UHFFFAOYSA-N 1 1 276.380 2.143 20 10 CECDMO CNC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2O)c1 ZINC000072964107 642006864 /nfs/dbraw/zinc/00/68/64/642006864.db2.gz KTRKJTIBYUKBOE-UHFFFAOYSA-N 1 1 284.359 2.384 20 10 CECDMO CN(C)c1ccc(/C=C\C[NH2+]C2CC([NH+](C)C)C2)cc1 ZINC000848557126 642051827 /nfs/dbraw/zinc/05/18/27/642051827.db2.gz HOKYJFZYSRLEDY-WAYWQWQTSA-N 1 1 273.424 2.448 20 10 CECDMO CN(C)c1ccc(/C=C\C[NH2+]C2CC(N(C)C)C2)cc1 ZINC000848557126 642051830 /nfs/dbraw/zinc/05/18/30/642051830.db2.gz HOKYJFZYSRLEDY-WAYWQWQTSA-N 1 1 273.424 2.448 20 10 CECDMO [NH3+]C[C@@H](NCc1cc(Cl)cc(F)c1O)C(F)(F)F ZINC000848714057 642109188 /nfs/dbraw/zinc/10/91/88/642109188.db2.gz DSNNEFOKDWCEGZ-MRVPVSSYSA-N 1 1 286.656 2.164 20 10 CECDMO CCc1cccc(C[N@@H+]2CCC[C@H]2c2nncn2C)c1O ZINC000848889977 642175030 /nfs/dbraw/zinc/17/50/30/642175030.db2.gz PTMQHCCSPXCEOC-AWEZNQCLSA-N 1 1 286.379 2.420 20 10 CECDMO CCc1cccc(C[N@H+]2CCC[C@H]2c2nncn2C)c1O ZINC000848889977 642175036 /nfs/dbraw/zinc/17/50/36/642175036.db2.gz PTMQHCCSPXCEOC-AWEZNQCLSA-N 1 1 286.379 2.420 20 10 CECDMO CCc1cccc(C[N@H+]2CC[C@@H](C)[S@@](=O)CC2)c1O ZINC000848905681 642182702 /nfs/dbraw/zinc/18/27/02/642182702.db2.gz LFHNILJNSCQYHG-BLVKFPJESA-N 1 1 281.421 2.298 20 10 CECDMO CCc1cccc(C[N@@H+](C)C[C@@H](O)C(F)(F)F)c1O ZINC000848912861 642187674 /nfs/dbraw/zinc/18/76/74/642187674.db2.gz XXESTCQIIGETFL-LLVKDONJSA-N 1 1 277.286 2.310 20 10 CECDMO 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CCC[N@@H+](CC(=O)N(C)C1CC1)Cc1ccccc1O ZINC000112979390 364861146 /nfs/dbraw/zinc/86/11/46/364861146.db2.gz KRMHAVUAJJPHMV-UHFFFAOYSA-N 1 1 276.380 2.225 20 10 CECDMO COc1ccc(O)c(C[N@H+]2CC[C@H]3OCCC[C@H]3C2)c1 ZINC000245854369 370880151 /nfs/dbraw/zinc/88/01/51/370880151.db2.gz NDCJJSOAEMAPBU-BLLLJJGKSA-N 1 1 277.364 2.402 20 10 CECDMO Oc1ccc(F)cc1C[N@H+]1CCC[C@H](C2OCCO2)C1 ZINC000180058114 368366847 /nfs/dbraw/zinc/36/68/47/368366847.db2.gz FWDHJVPPBKKMON-NSHDSACASA-N 1 1 281.327 2.116 20 10 CECDMO CCNC(=O)C[N@@H+](CC)Cc1cc(Cl)cc(C)c1O ZINC000179596016 368344895 /nfs/dbraw/zinc/34/48/95/368344895.db2.gz SFNQDEOUNIPWSK-UHFFFAOYSA-N 1 1 284.787 2.312 20 10 CECDMO CN(C)c1ccc(C[N@@H+]2CCC[C@]23CCOC3=O)cc1 ZINC000190037167 369591609 /nfs/dbraw/zinc/59/16/09/369591609.db2.gz ZGHPLUHYYVQBRM-MRXNPFEDSA-N 1 1 274.364 2.034 20 10 CECDMO CN(C)c1ccc(C[N@H+]2CCC[C@]23CCOC3=O)cc1 ZINC000190037167 369591610 /nfs/dbraw/zinc/59/16/10/369591610.db2.gz ZGHPLUHYYVQBRM-MRXNPFEDSA-N 1 1 274.364 2.034 20 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C[C@H]([NH2+]C1CC[NH2+]CC1)c1cc(Cl)ccc1[O-] ZINC000817937524 633787876 /nfs/dbraw/zinc/78/78/76/633787876.db2.gz XGPXPUZRCIESMW-VIFPVBQESA-N 1 1 254.761 2.448 20 10 CECDMO C[C@@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1ccccn1 ZINC000817942637 633790813 /nfs/dbraw/zinc/79/08/13/633790813.db2.gz QEOAHJROVKVJBC-CZUORRHYSA-N 1 1 284.407 2.498 20 10 CECDMO CC[C@H]([NH2+][C@H]1CC[NH2+]C1)c1cccc(Cl)c1[O-] ZINC000817945338 633792615 /nfs/dbraw/zinc/79/26/15/633792615.db2.gz ZTPKLTVXYOYTIB-CABZTGNLSA-N 1 1 254.761 2.448 20 10 CECDMO C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1cc(F)ccc1[O-] ZINC000817946003 633792799 /nfs/dbraw/zinc/79/27/99/633792799.db2.gz PNWUHPNYMLVSKK-QWRGUYRKSA-N 1 1 252.333 2.182 20 10 CECDMO C[C@@H]1C[C@@H]([NH2+]CCNC2CC2)c2c1c(F)ccc2O ZINC000817951943 633795789 /nfs/dbraw/zinc/79/57/89/633795789.db2.gz BRSSXYRFPFPCGX-BXKDBHETSA-N 1 1 264.344 2.421 20 10 CECDMO CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817962746 633805163 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279.403 2.419 20 10 CECDMO C[C@@H]1CC[C@H](CO)C[N@@H+]1Cc1c(O)cccc1F ZINC001137831631 815691209 /nfs/dbraw/zinc/69/12/09/815691209.db2.gz ICNKHFGYTLSFFJ-MNOVXSKESA-N 1 1 253.317 2.124 20 10 CECDMO C[C@@H]1CC[C@H](CO)C[N@H+]1Cc1c(O)cccc1F ZINC001137831631 815691215 /nfs/dbraw/zinc/69/12/15/815691215.db2.gz ICNKHFGYTLSFFJ-MNOVXSKESA-N 1 1 253.317 2.124 20 10 CECDMO CCC(=O)N[C@@H]1CCC[N@H+](Cc2c(O)cccc2F)C1 ZINC001137841370 815694889 /nfs/dbraw/zinc/69/48/89/815694889.db2.gz BWHBIICDOWGJQF-LLVKDONJSA-N 1 1 280.343 2.022 20 10 CECDMO CCC(=O)N[C@@H]1CCC[N@@H+](Cc2c(O)cccc2F)C1 ZINC001137841370 815694894 /nfs/dbraw/zinc/69/48/94/815694894.db2.gz BWHBIICDOWGJQF-LLVKDONJSA-N 1 1 280.343 2.022 20 10 CECDMO OC[C@]1(F)CCC[N@H+](Cc2cccc(F)c2O)CC1 ZINC001138123853 815731462 /nfs/dbraw/zinc/73/14/62/815731462.db2.gz OFPVZMUCFNJXOQ-AWEZNQCLSA-N 1 1 271.307 2.218 20 10 CECDMO OC[C@]1(F)CCC[N@@H+](Cc2cccc(F)c2O)CC1 ZINC001138123853 815731467 /nfs/dbraw/zinc/73/14/67/815731467.db2.gz 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1 292.770 2.393 20 10 CECDMO COCCOCC[N@@H+](C)Cc1c(O)cc(C)cc1Cl ZINC000840946878 639597474 /nfs/dbraw/zinc/59/74/74/639597474.db2.gz PWQSKMDFNJVPEA-UHFFFAOYSA-N 1 1 287.787 2.449 20 10 CECDMO Cc1cc(O)c(C[N@@H+]2CC[C@H](C(=O)N(C)C)C2)c(Cl)c1 ZINC000840957143 639601376 /nfs/dbraw/zinc/60/13/76/639601376.db2.gz GBDMVURMVGTDFC-NSHDSACASA-N 1 1 296.798 2.264 20 10 CECDMO CCOc1cccc(C[NH2+]C[C@@H]2CCCCN2)c1O ZINC000841033373 639625114 /nfs/dbraw/zinc/62/51/14/639625114.db2.gz SESBBQDESRCZGS-ZDUSSCGKSA-N 1 1 264.369 2.023 20 10 CECDMO CN(C)c1ccc(/C=C\CN[C@@H]2CCC[NH2+]CC2)cc1 ZINC000841057507 639635738 /nfs/dbraw/zinc/63/57/38/639635738.db2.gz IXSBHOSIJRPBQB-OICCZTGUSA-N 1 1 273.424 2.498 20 10 CECDMO COc1cc(Cl)cc(C[NH2+][C@@H]2CNCC[C@H]2C)c1O ZINC000841059171 639636582 /nfs/dbraw/zinc/63/65/82/639636582.db2.gz LZRFHCVFRABZOR-BXKDBHETSA-N 1 1 284.787 2.142 20 10 CECDMO CN(C)c1ccc(/C=C/C[NH2+]C[C@@H]2C[C@H](F)CN2)cc1 ZINC000841077864 639647470 /nfs/dbraw/zinc/64/74/70/639647470.db2.gz DXAVLWDSYWZTAB-WCYDHSITSA-N 1 1 277.387 2.055 20 10 CECDMO CN(C)c1ccc(C[NH2+][C@@H](CN)C(C)(C)C)cc1F ZINC000841086961 639652263 /nfs/dbraw/zinc/65/22/63/639652263.db2.gz FZIJJQPSYFMCDN-AWEZNQCLSA-N 1 1 267.392 2.355 20 10 CECDMO COc1cc(Cl)cc(CN2CC[C@H]([C@@H](C)[NH3+])C2)c1O ZINC000229104925 639676549 /nfs/dbraw/zinc/67/65/49/639676549.db2.gz HYQBRHYMTUHHRU-ZJUUUORDSA-N 1 1 284.787 2.223 20 10 CECDMO C[C@H]([NH2+]CCCN1CCOCC1)c1ccc(Cl)cc1O ZINC000841744760 639855875 /nfs/dbraw/zinc/85/58/75/639855875.db2.gz SQTRHKHKYKAFNP-LBPRGKRZSA-N 1 1 298.814 2.419 20 10 CECDMO C[C@@H]([NH2+]CCCS(C)(=O)=O)c1ccc(Cl)cc1O ZINC000841746889 639857441 /nfs/dbraw/zinc/85/74/41/639857441.db2.gz MAFMQOBENQGNDP-SECBINFHSA-N 1 1 291.800 2.131 20 10 CECDMO C[C@@H]([NH2+]Cc1cnn(C)n1)c1ccc(Cl)cc1O ZINC000841758346 639860389 /nfs/dbraw/zinc/86/03/89/639860389.db2.gz SKAJOBSQWIUYPZ-MRVPVSSYSA-N 1 1 266.732 2.025 20 10 CECDMO Cc1ccc(C[NH2+][C@H]2CCc3cn[nH]c3C2)c(O)c1 ZINC000877084859 650565135 /nfs/dbraw/zinc/56/51/35/650565135.db2.gz ONJSRBJDMMNNQM-ZDUSSCGKSA-N 1 1 257.337 2.071 20 10 CECDMO C[C@@H]([NH2+]CC(C)(C)[C@@]1(O)CCOC1)c1ccc(F)cc1O ZINC000842919698 640221367 /nfs/dbraw/zinc/22/13/67/640221367.db2.gz NGRSATALEMQFQM-BDJLRTHQSA-N 1 1 297.370 2.360 20 10 CECDMO CN(C)c1ccc(CN(C2CC2)C2CC[NH2+]CC2)cc1 ZINC000843043658 640249650 /nfs/dbraw/zinc/24/96/50/640249650.db2.gz AUXIXZWPJUXZPN-UHFFFAOYSA-N 1 1 273.424 2.469 20 10 CECDMO C[NH2+]C1CCN(Cc2cc(Cl)cc(F)c2O)CC1 ZINC000843049367 640253577 /nfs/dbraw/zinc/25/35/77/640253577.db2.gz LZMLELLQDXTOIL-UHFFFAOYSA-N 1 1 272.751 2.369 20 10 CECDMO C[NH2+]C[C@@H]1CCN(C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000843052085 640254408 /nfs/dbraw/zinc/25/44/08/640254408.db2.gz FZMTYAKJEBDMOK-APHBUQMISA-N 1 1 273.424 2.307 20 10 CECDMO C[C@@H]1CN(C/C=C/c2ccc(N(C)C)cc2)CC[C@H]1[NH3+] ZINC000843052798 640256180 /nfs/dbraw/zinc/25/61/80/640256180.db2.gz WJIHVJJPTNKREU-XUOJHOASSA-N 1 1 273.424 2.435 20 10 CECDMO C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000843056810 640258864 /nfs/dbraw/zinc/25/88/64/640258864.db2.gz AICTXFDFMZVADI-RKDXNWHRSA-N 1 1 272.751 2.354 20 10 CECDMO C[C@@H]([NH3+])[C@@H]1CCN(Cc2ccc(N(C)C)c(F)c2)C1 ZINC000843058673 640260970 /nfs/dbraw/zinc/26/09/70/640260970.db2.gz VSJXVTDCYSQTPM-DGCLKSJQSA-N 1 1 265.376 2.061 20 10 CECDMO CCOc1ccc(O)c(CN2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000843117282 640286924 /nfs/dbraw/zinc/28/69/24/640286924.db2.gz OEEOBPKOFLWZPO-KRWDZBQOSA-N 1 1 290.407 2.366 20 10 CECDMO C[C@@H]1C[NH2+][C@@H](C)CN1Cc1cccc(Br)c1O ZINC000843120056 640289344 /nfs/dbraw/zinc/28/93/44/640289344.db2.gz SSFVMXNXGJWLQX-VHSXEESVSA-N 1 1 299.212 2.337 20 10 CECDMO CCC[N@@H+](Cc1cc(OC)ccc1O)[C@H]1CCN(C)C1 ZINC000843422818 640424391 /nfs/dbraw/zinc/42/43/91/640424391.db2.gz SUUVEEJIRUKAIN-AWEZNQCLSA-N 1 1 278.396 2.317 20 10 CECDMO COc1ccc(N(C)CC[N@@H+](C)C[C@@H]2CCCOC2)cc1 ZINC000844401155 640708519 /nfs/dbraw/zinc/70/85/19/640708519.db2.gz KPNVVOKLYLVELS-HNNXBMFYSA-N 1 1 292.423 2.490 20 10 CECDMO COC(=O)[C@H](C)C[N@@H+](Cc1ccc(C)cc1O)C1CC1 ZINC000877171085 650608516 /nfs/dbraw/zinc/60/85/16/650608516.db2.gz YQAVRZDZBXDWBI-GFCCVEGCSA-N 1 1 277.364 2.474 20 10 CECDMO COc1cccc(CNCCC[N@H+](C)CC(C)C)c1O ZINC000845995302 641147251 /nfs/dbraw/zinc/14/72/51/641147251.db2.gz BRVYKXOZYFCLKJ-UHFFFAOYSA-N 1 1 280.412 2.468 20 10 CECDMO COc1cccc(CNCCC[N@@H+](C)CC(C)C)c1O ZINC000845995302 641147254 /nfs/dbraw/zinc/14/72/54/641147254.db2.gz BRVYKXOZYFCLKJ-UHFFFAOYSA-N 1 1 280.412 2.468 20 10 CECDMO COCCC[N@@H+](C)Cc1c(O)ccc2ccncc21 ZINC000921187969 641235480 /nfs/dbraw/zinc/23/54/80/641235480.db2.gz SISDCLARUYRAKF-UHFFFAOYSA-N 1 1 260.337 2.409 20 10 CECDMO CC(=O)c1cc(Cl)cc(C[NH2+][C@@H]2C[C@H](O)C2(C)C)c1O ZINC000846961701 641500429 /nfs/dbraw/zinc/50/04/29/641500429.db2.gz QZMOVVMPZVUMSD-OLZOCXBDSA-N 1 1 297.782 2.497 20 10 CECDMO C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000070171807 641642028 /nfs/dbraw/zinc/64/20/28/641642028.db2.gz KMYLCFWXEKEZOZ-ZFWWWQNUSA-N 1 1 261.413 2.312 20 10 CECDMO CC[C@](C)(CO)[NH2+]Cc1cccc(Br)c1O ZINC000070898812 641708324 /nfs/dbraw/zinc/70/83/24/641708324.db2.gz UESPEZQGAHKVRB-GFCCVEGCSA-N 1 1 288.185 2.405 20 10 CECDMO COC(=O)[C@H]1C[C@H](C)CC[N@H+]1Cc1ccc(C)cc1O ZINC000877415980 650713526 /nfs/dbraw/zinc/71/35/26/650713526.db2.gz FNZYRKQRPCDCCQ-TZMCWYRMSA-N 1 1 277.364 2.474 20 10 CECDMO COC1(C[NH2+][C@H](C)c2ccc(F)cc2O)CCOCC1 ZINC000186146871 642073086 /nfs/dbraw/zinc/07/30/86/642073086.db2.gz MPMKVFIENROLLH-LLVKDONJSA-N 1 1 283.343 2.378 20 10 CECDMO CCc1cccc(C[N@@H+](C)[C@@H]2CCCCNC2=O)c1O ZINC000848884746 642170023 /nfs/dbraw/zinc/17/00/23/642170023.db2.gz JNMPSHTZCWSPRA-CQSZACIVSA-N 1 1 276.380 2.055 20 10 CECDMO CCc1cccc(C[N@H+]2CC[C@](F)(C(=O)OC)C2)c1O ZINC000848891505 642174202 /nfs/dbraw/zinc/17/42/02/642174202.db2.gz ZIZOVCDDWUPAKF-OAHLLOKOSA-N 1 1 281.327 2.042 20 10 CECDMO CCc1cccc(C[N@H+]2CC[C@](C)(C(=O)OC)C2)c1O ZINC000848890323 642174878 /nfs/dbraw/zinc/17/48/78/642174878.db2.gz SHKAAGZVHPIRPB-INIZCTEOSA-N 1 1 277.364 2.340 20 10 CECDMO CCc1cccc(C[N@@H+](C)[C@H](C)CN2CCOCC2)c1O ZINC000848908032 642184296 /nfs/dbraw/zinc/18/42/96/642184296.db2.gz WRBRXFOKEFWSSD-CQSZACIVSA-N 1 1 292.423 2.107 20 10 CECDMO Cc1cccc(O)c1C[NH+]1C[C@@H](C)S(=O)[C@H](C)C1 ZINC000877473662 650737506 /nfs/dbraw/zinc/73/75/06/650737506.db2.gz PFZGKWBAMKRDJS-VXGBXAGGSA-N 1 1 267.394 2.042 20 10 CECDMO Cc1ccc(C[N@@H+](CCCO)Cc2ccccn2)c(O)c1 ZINC000877527514 650768676 /nfs/dbraw/zinc/76/86/76/650768676.db2.gz PGMBEIIPTWQAQY-UHFFFAOYSA-N 1 1 286.375 2.480 20 10 CECDMO Cc1ccc(C[NH+]2CC(O)(c3ccccc3)C2)c(O)c1 ZINC000877537545 650775061 /nfs/dbraw/zinc/77/50/61/650775061.db2.gz NRSXUIMVXNUIMG-UHFFFAOYSA-N 1 1 269.344 2.404 20 10 CECDMO C[C@H]([NH2+][C@@H]1C[C@@H](C)n2ncnc21)c1cc(F)ccc1O ZINC000850499349 642733005 /nfs/dbraw/zinc/73/30/05/642733005.db2.gz NRIAQZKTCCNVKK-VDDIYKPWSA-N 1 1 276.315 2.479 20 10 CECDMO Cc1ccc(C[N@@H+](C)[C@@H]2CC(C)(C)OC2=O)c(O)c1 ZINC000877547604 650781068 /nfs/dbraw/zinc/78/10/68/650781068.db2.gz CNTWZVDFQXZPEL-GFCCVEGCSA-N 1 1 263.337 2.227 20 10 CECDMO Cc1ccc(C[N@H+](C)[C@@H]2CC(C)(C)OC2=O)c(O)c1 ZINC000877547604 650781069 /nfs/dbraw/zinc/78/10/69/650781069.db2.gz CNTWZVDFQXZPEL-GFCCVEGCSA-N 1 1 263.337 2.227 20 10 CECDMO COc1cccc([C@H](C)[NH2+]Cc2ncccn2)c1O ZINC000850551670 642751708 /nfs/dbraw/zinc/75/17/08/642751708.db2.gz IUPGECMDAKHNRD-JTQLQIEISA-N 1 1 259.309 2.042 20 10 CECDMO CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCc1c(O)cccc1F ZINC000922518193 643104351 /nfs/dbraw/zinc/10/43/51/643104351.db2.gz UEVMIGDAVCPCMF-NSHDSACASA-N 1 1 297.374 2.059 20 10 CECDMO CCC[N@H+](Cc1ccccc1O)C[C@@H](COC)OC ZINC000851791610 643164225 /nfs/dbraw/zinc/16/42/25/643164225.db2.gz DKHZZLITYCTCIL-AWEZNQCLSA-N 1 1 267.369 2.266 20 10 CECDMO Cc1cccc(O)c1C[N@H+]1CC[C@H](CN2CCCC2=O)C1 ZINC000877639128 650829596 /nfs/dbraw/zinc/82/95/96/650829596.db2.gz WJHZZPMLLVTNLK-AWEZNQCLSA-N 1 1 288.391 2.145 20 10 CECDMO C[N@@H+](CC1=CCSC1)Cc1cc2c(cc1O)OCO2 ZINC000853618478 643833379 /nfs/dbraw/zinc/83/33/79/643833379.db2.gz FMRMBPJFVABMHK-UHFFFAOYSA-N 1 1 279.361 2.226 20 10 CECDMO Cc1ccc(CN2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c(O)c1 ZINC000877736935 650878588 /nfs/dbraw/zinc/87/85/88/650878588.db2.gz CAGOOHVXLXSCCA-UKRRQHHQSA-N 1 1 260.381 2.227 20 10 CECDMO Cc1ccc(CN2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c(O)c1 ZINC000877736935 650878590 /nfs/dbraw/zinc/87/85/90/650878590.db2.gz CAGOOHVXLXSCCA-UKRRQHHQSA-N 1 1 260.381 2.227 20 10 CECDMO Oc1ccccc1C[N@@H+](Cc1cnccn1)C[C@H]1CCCO1 ZINC000838782393 644020047 /nfs/dbraw/zinc/02/00/47/644020047.db2.gz ANJAJDFZSFBWCU-MRXNPFEDSA-N 1 1 299.374 2.363 20 10 CECDMO Oc1ccccc1C[N@H+](Cc1cnccn1)C[C@H]1CCCO1 ZINC000838782393 644020049 /nfs/dbraw/zinc/02/00/49/644020049.db2.gz ANJAJDFZSFBWCU-MRXNPFEDSA-N 1 1 299.374 2.363 20 10 CECDMO CCOc1cccc(CN2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c1O ZINC000877743510 650888882 /nfs/dbraw/zinc/88/88/82/650888882.db2.gz KWHPFIOUOMAFIH-DZGCQCFKSA-N 1 1 290.407 2.317 20 10 CECDMO CC[C@@H]1CCC[N@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839480264 644239905 /nfs/dbraw/zinc/23/99/05/644239905.db2.gz QDVMMFVFPITVPW-OAHLLOKOSA-N 1 1 289.423 2.243 20 10 CECDMO CC[N@H+](CC(=O)OC)Cc1cc(C)cc(C)c1O ZINC000754727232 644421223 /nfs/dbraw/zinc/42/12/23/644421223.db2.gz SYDKRJNAVHIUOS-UHFFFAOYSA-N 1 1 251.326 2.004 20 10 CECDMO CC[N@@H+](CC(=O)OC)Cc1cc(C)cc(C)c1O ZINC000754727232 644421224 /nfs/dbraw/zinc/42/12/24/644421224.db2.gz SYDKRJNAVHIUOS-UHFFFAOYSA-N 1 1 251.326 2.004 20 10 CECDMO CC[N@H+](C)C[C@@H]1CCN(Cc2cc(C)cc(OC)c2O)C1 ZINC000754735847 644422022 /nfs/dbraw/zinc/42/20/22/644422022.db2.gz DTEIRLOEXPBPNP-AWEZNQCLSA-N 1 1 292.423 2.483 20 10 CECDMO CC[N@@H+](C)C[C@@H]1CCN(Cc2cc(C)cc(OC)c2O)C1 ZINC000754735847 644422024 /nfs/dbraw/zinc/42/20/24/644422024.db2.gz DTEIRLOEXPBPNP-AWEZNQCLSA-N 1 1 292.423 2.483 20 10 CECDMO CCC[N@@H+](C)CC(C)(C)NC(=O)c1ccc(C)c(O)c1O ZINC000856283057 644626941 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IQBAQUIOIIGRLG-AWEZNQCLSA-N 1 1 290.407 2.319 20 10 CECDMO C[C@@H]([NH2+]Cc1nnc2n1CCC2)c1ccc(N(C)C)cc1 ZINC000268789012 394699456 /nfs/dbraw/zinc/69/94/56/394699456.db2.gz XBAVSYNVPBXZBV-GFCCVEGCSA-N 1 1 285.395 2.141 20 10 CECDMO Cc1ccc(O)c(C[N@H+]2CCCN(C(=O)C3CC3)CC2)c1 ZINC000119101131 394763507 /nfs/dbraw/zinc/76/35/07/394763507.db2.gz OSBSVBGIUQSFNT-UHFFFAOYSA-N 1 1 288.391 2.145 20 10 CECDMO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@](C)(O)C2)c1O ZINC000124254472 394837643 /nfs/dbraw/zinc/83/76/43/394837643.db2.gz VUGQKRYIXDUYPM-OAHLLOKOSA-N 1 1 281.327 2.081 20 10 CECDMO CCN(CC)C(=O)C[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000124495849 394838927 /nfs/dbraw/zinc/83/89/27/394838927.db2.gz ACULZUROSIOEFR-UHFFFAOYSA-N 1 1 284.787 2.346 20 10 CECDMO CCOc1cccc(C[N@@H+](C)[C@H](C)COC)c1O ZINC000132682580 394935397 /nfs/dbraw/zinc/93/53/97/394935397.db2.gz VCHJIMQHXYGXRV-LLVKDONJSA-N 1 1 253.342 2.258 20 10 CECDMO CO[C@@H]1CCC[N@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000175634371 261239419 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C[C@H]([NH2+][C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1)c1ccc(F)cc1O ZINC000368328783 267163185 /nfs/dbraw/zinc/16/31/85/267163185.db2.gz BFJSAXMOHQKQLA-JCRCQARHSA-N 1 1 292.354 2.191 20 10 CECDMO CCN(CC)c1ccc(C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)cc1F ZINC000368346155 267164968 /nfs/dbraw/zinc/16/49/68/267164968.db2.gz BQPLMBSEJQIKAX-FICVDOATSA-N 1 1 292.398 2.342 20 10 CECDMO CN(C)c1ccc(C[N@H+]2CC[C@@](O)(C3CC3)C2)cc1F ZINC000369676694 267260043 /nfs/dbraw/zinc/26/00/43/267260043.db2.gz RRFLYMWBFQQLFG-INIZCTEOSA-N 1 1 278.371 2.239 20 10 CECDMO CC[C@@H](c1ccccc1O)[N@H+]1CC[C@H](n2cncn2)C1 ZINC000369925694 267277159 /nfs/dbraw/zinc/27/71/59/267277159.db2.gz XBGSCINSGFVKPA-JSGCOSHPSA-N 1 1 272.352 2.382 20 10 CECDMO COC(=O)[C@@H]1C[N@H+](Cc2cccc(F)c2O)CC12CCC2 ZINC000370085416 267290273 /nfs/dbraw/zinc/29/02/73/267290273.db2.gz VOWMKAMAUMUFDO-LBPRGKRZSA-N 1 1 293.338 2.306 20 10 CECDMO COC(=O)[C@@H]1C[N@@H+](Cc2cccc(F)c2O)CC12CCC2 ZINC000370085416 267290275 /nfs/dbraw/zinc/29/02/75/267290275.db2.gz 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/nfs/dbraw/zinc/04/69/72/329046972.db2.gz ADOKJPHYJQPOTP-OKILXGFUSA-N 1 1 263.337 2.154 20 10 CECDMO CCOc1ccc(O)c(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000378344532 329046973 /nfs/dbraw/zinc/04/69/73/329046973.db2.gz ADOKJPHYJQPOTP-OKILXGFUSA-N 1 1 263.337 2.154 20 10 CECDMO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](C)[C@@H]2CO)c1O ZINC000227057913 333275327 /nfs/dbraw/zinc/27/53/27/333275327.db2.gz VBZBHVZEULKVDE-OTYXRUKQSA-N 1 1 297.782 2.451 20 10 CECDMO CCOc1cccc(C[N@@H+]2CC[C@@H](N3CCCC3)C2)c1O ZINC000133956749 334074940 /nfs/dbraw/zinc/07/49/40/334074940.db2.gz BPSSFEKBABGTRP-OAHLLOKOSA-N 1 1 290.407 2.461 20 10 CECDMO CCOc1cccc(C[N@H+]2CC[C@@H](N3CCCC3)C2)c1O ZINC000133956749 334074941 /nfs/dbraw/zinc/07/49/41/334074941.db2.gz BPSSFEKBABGTRP-OAHLLOKOSA-N 1 1 290.407 2.461 20 10 CECDMO CC(C)[N@@H+](C)CC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000299305536 519611757 /nfs/dbraw/zinc/61/17/57/519611757.db2.gz CYDQMEFCTKDTLC-UHFFFAOYSA-N 1 1 289.423 2.243 20 10 CECDMO CC[NH+](CC)[C@H](C)CNCc1cc(F)ccc1O ZINC000279711613 520859914 /nfs/dbraw/zinc/85/99/14/520859914.db2.gz SRAACEPDBKBASY-LLVKDONJSA-N 1 1 254.349 2.351 20 10 CECDMO CCC[C@@]1(CO)CC[N@@H+](Cc2cccc(OC)c2O)C1 ZINC000290247287 520966716 /nfs/dbraw/zinc/96/67/16/520966716.db2.gz VITFQESPNZASBE-MRXNPFEDSA-N 1 1 279.380 2.385 20 10 CECDMO COc1c(O)c(C[NH2+]C[C@H]2C[C@H]2C)ccc1[N+](=O)[O-] ZINC000278837864 521878232 /nfs/dbraw/zinc/87/82/32/521878232.db2.gz JJIMWWAERPOJHH-PSASIEDQSA-N 1 1 266.297 2.055 20 10 CECDMO COc1c(O)c(C[NH2+]C[C@H](OC)C(C)C)ccc1[N+](=O)[O-] ZINC000278304517 521880536 /nfs/dbraw/zinc/88/05/36/521880536.db2.gz DHFRDOJMLHNVQN-LBPRGKRZSA-N 1 1 298.339 2.070 20 10 CECDMO Cc1cc(C)c([C@H](C)[NH2+]C[C@H](O)CN2CCCC2)c(O)c1 ZINC000293248546 524333463 /nfs/dbraw/zinc/33/34/63/524333463.db2.gz BMPJZVWGLFAQPU-GJZGRUSLSA-N 1 1 292.423 2.116 20 10 CECDMO C[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)c(F)c2)[C@@H]1CO ZINC000276747754 524510308 /nfs/dbraw/zinc/51/03/08/524510308.db2.gz LIUHBYCGGRJQAB-IAQYHMDHSA-N 1 1 266.360 2.094 20 10 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ZINC000307783676 623359634 /nfs/dbraw/zinc/35/96/34/623359634.db2.gz QXQYHBATLLVWHD-ZDUSSCGKSA-N 1 1 265.353 2.402 20 10 CECDMO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(OC)c(OC)c1O ZINC000891475489 623734438 /nfs/dbraw/zinc/73/44/38/623734438.db2.gz GLXYSRKSSRENTE-WCQYABFASA-N 1 1 295.379 2.409 20 10 CECDMO COC(=O)[C@@H](C)C[N@@H+](C)Cc1cc(C)c(C)cc1O ZINC000123835476 628460500 /nfs/dbraw/zinc/46/05/00/628460500.db2.gz BEPJBAGVEVBIFC-LBPRGKRZSA-N 1 1 265.353 2.250 20 10 CECDMO C[C@H]([NH2+][C@H]1CNCC2(CCOCC2)C1)c1ccccc1O ZINC000925800839 628848042 /nfs/dbraw/zinc/84/80/42/628848042.db2.gz YBGQMORWEXJOOS-UONOGXRCSA-N 1 1 290.407 2.202 20 10 CECDMO C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)[C@@H](C)[C@H]1C ZINC000841692496 628922450 /nfs/dbraw/zinc/92/24/50/628922450.db2.gz RRWQGVNHONOLIZ-LMCGPQHNSA-N 1 1 277.364 2.294 20 10 CECDMO COc1ccc(C[N@H+]2CC[C@@H](C)[C@H](OC)C2)c(O)c1OC ZINC000893899726 629033372 /nfs/dbraw/zinc/03/33/72/629033372.db2.gz HLSBURFUYXMIOX-BXUZGUMPSA-N 1 1 295.379 2.266 20 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PTDRKZAJVFSMSS-ZDUSSCGKSA-N 1 1 286.379 2.425 20 10 CECDMO Cc1nc([C@H]2CC[N@H+](Cc3cc(C)c(C)cc3O)C2)n[nH]1 ZINC000895008032 629799503 /nfs/dbraw/zinc/79/95/03/629799503.db2.gz PTDRKZAJVFSMSS-ZDUSSCGKSA-N 1 1 286.379 2.425 20 10 CECDMO Cc1nc([C@H]2CC[N@@H+](Cc3cc(C)c(C)cc3O)C2)n[nH]1 ZINC000895008032 629799506 /nfs/dbraw/zinc/79/95/06/629799506.db2.gz PTDRKZAJVFSMSS-ZDUSSCGKSA-N 1 1 286.379 2.425 20 10 CECDMO COc1cccc(C[N@H+]2CCCCC[C@H]2CO)c1O ZINC000895152389 629968000 /nfs/dbraw/zinc/96/80/00/629968000.db2.gz UPAWWAQRYWELHB-ZDUSSCGKSA-N 1 1 265.353 2.138 20 10 CECDMO CC[C@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)c1ccc(F)cc1O ZINC000796829168 630023268 /nfs/dbraw/zinc/02/32/68/630023268.db2.gz ZRDYUZLZQISILC-RISCZKNCSA-N 1 1 292.354 2.335 20 10 CECDMO COc1ccc(C[N@H+]2CCCCC[C@H]2CO)c(O)c1OC ZINC000895193309 630025236 /nfs/dbraw/zinc/02/52/36/630025236.db2.gz TZQPTRHKAPHYPH-ZDUSSCGKSA-N 1 1 295.379 2.146 20 10 CECDMO C[C@H]1C[NH+](Cc2cc(F)cc(F)c2O)C[C@H](C)C1O ZINC000895258853 630066432 /nfs/dbraw/zinc/06/64/32/630066432.db2.gz HFWKDKUYHCILIE-IUCAKERBSA-N 1 1 271.307 2.119 20 10 CECDMO COC(=O)C[C@](C)([NH2+]Cc1cc(F)cc(F)c1O)C1CC1 ZINC000895452344 630198315 /nfs/dbraw/zinc/19/83/15/630198315.db2.gz UWGHPUJOAVXNBB-HNNXBMFYSA-N 1 1 299.317 2.492 20 10 CECDMO COc1cc(C[N@H+]2C[C@@H]3C[C@]3(O)C2)c(O)c(C(C)(C)C)c1 ZINC000895652965 630294609 /nfs/dbraw/zinc/29/46/09/630294609.db2.gz KKINKQFBMXDVJH-SJCJKPOMSA-N 1 1 291.391 2.265 20 10 CECDMO COc1ccc(O)c(C[N@H+]2CC[C@@H]([C@@H]3CCCO3)C2)c1 ZINC000895844968 630368541 /nfs/dbraw/zinc/36/85/41/630368541.db2.gz GGPKRYXAEGYLJA-WBMJQRKESA-N 1 1 277.364 2.402 20 10 CECDMO CCOC(=O)[C@@H]1[C@@H]2CC[N@@H+](Cc3cc(C)ccc3O)C[C@@H]21 ZINC000896448067 630568507 /nfs/dbraw/zinc/56/85/07/630568507.db2.gz BEQDGDXPZYOMAT-IJEWVQPXSA-N 1 1 289.375 2.332 20 10 CECDMO C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])C[C@H]1CC[NH3+] ZINC000903977377 635395027 /nfs/dbraw/zinc/39/50/27/635395027.db2.gz PZGUXOMFHSMAOC-GHMZBOCLSA-N 1 1 268.788 2.462 20 10 CECDMO CC[C@@H]([NH2+]Cc1cnn(C)n1)c1cc(Cl)ccc1O ZINC000806168678 631723363 /nfs/dbraw/zinc/72/33/63/631723363.db2.gz WRQJDZJDRGSGAR-GFCCVEGCSA-N 1 1 280.759 2.415 20 10 CECDMO CC[N@H+](C/C=C/c1ccc(N(C)C)cc1)CCC(=O)NC ZINC000897710036 631882399 /nfs/dbraw/zinc/88/23/99/631882399.db2.gz WCVAZMFLRRKLDL-VOTSOKGWSA-N 1 1 289.423 2.224 20 10 CECDMO Oc1ccccc1C[NH2+]Cc1nccc(C(F)F)n1 ZINC000808434553 631962567 /nfs/dbraw/zinc/96/25/67/631962567.db2.gz AXKPRURPISDDHE-UHFFFAOYSA-N 1 1 265.263 2.410 20 10 CECDMO COc1cccc(O)c1C[N@@H+]1CC[C@@H](N2CCCC2)[C@H]1C ZINC000809724185 632133386 /nfs/dbraw/zinc/13/33/86/632133386.db2.gz GBPSQPZUAYCSQL-UKRRQHHQSA-N 1 1 290.407 2.459 20 10 CECDMO COc1cccc(O)c1C[N@H+]1CC[C@@H](N2CCCC2)[C@H]1C ZINC000809724185 632133392 /nfs/dbraw/zinc/13/33/92/632133392.db2.gz GBPSQPZUAYCSQL-UKRRQHHQSA-N 1 1 290.407 2.459 20 10 CECDMO Cc1ccc(O)c(C[N@H+](CCN(C)C)C[C@@H]2CCCO2)c1 ZINC000809738022 632135512 /nfs/dbraw/zinc/13/55/12/632135512.db2.gz PKNMBPRGBPRGMN-INIZCTEOSA-N 1 1 292.423 2.243 20 10 CECDMO Cc1ccc(O)c(C[N@@H+](CCN(C)C)C[C@@H]2CCCO2)c1 ZINC000809738022 632135516 /nfs/dbraw/zinc/13/55/16/632135516.db2.gz PKNMBPRGBPRGMN-INIZCTEOSA-N 1 1 292.423 2.243 20 10 CECDMO COc1cc(O)c(C[N@@H+](C)[C@@H](CO)CC(C)C)cc1OC ZINC000809766898 632143058 /nfs/dbraw/zinc/14/30/58/632143058.db2.gz BPABRHUNOXIGNA-CYBMUJFWSA-N 1 1 297.395 2.248 20 10 CECDMO Oc1c(F)cc(F)cc1C[NH2+][C@H]1COC[C@@H]1C1CC1 ZINC000898375144 632187138 /nfs/dbraw/zinc/18/71/38/632187138.db2.gz CBQLPGACEPAKKQ-YPMHNXCESA-N 1 1 269.291 2.185 20 10 CECDMO CN(C)c1ccc(CNC[C@]2(C)CCC[NH2+]C2)cc1F ZINC000841058343 632361540 /nfs/dbraw/zinc/36/15/40/632361540.db2.gz VUAKOTULPLKYLN-MRXNPFEDSA-N 1 1 279.403 2.371 20 10 CECDMO CN(C)c1ccc(C[N@H+]2CC[C@H](O)C2(C)C)cc1F ZINC000812779586 632577134 /nfs/dbraw/zinc/57/71/34/632577134.db2.gz SILZYIIXEXPPMO-AWEZNQCLSA-N 1 1 266.360 2.237 20 10 CECDMO C[N@H+]1C[C@H]2CCN(Cc3cc(Cl)ccc3O)[C@H]2C1 ZINC000814173227 632798788 /nfs/dbraw/zinc/79/87/88/632798788.db2.gz HZSCPGPUWAVGLY-MFKMUULPSA-N 1 1 266.772 2.182 20 10 CECDMO CN1C[C@H]2CC[N@H+](Cc3cc(Cl)ccc3O)[C@H]2C1 ZINC000814173227 632798792 /nfs/dbraw/zinc/79/87/92/632798792.db2.gz HZSCPGPUWAVGLY-MFKMUULPSA-N 1 1 266.772 2.182 20 10 CECDMO CN1C[C@H]2CC[N@@H+](Cc3cc(Cl)ccc3O)[C@H]2C1 ZINC000814173227 632798796 /nfs/dbraw/zinc/79/87/96/632798796.db2.gz HZSCPGPUWAVGLY-MFKMUULPSA-N 1 1 266.772 2.182 20 10 CECDMO Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000826853534 635861635 /nfs/dbraw/zinc/86/16/35/635861635.db2.gz VYZVEGRHKQBVSV-OAHLLOKOSA-N 1 1 299.422 2.175 20 10 CECDMO Cc1cc(C[N@@H+]2CC[C@@H](C)C[C@H]2C(N)=O)ccc1N(C)C ZINC000815095169 632957796 /nfs/dbraw/zinc/95/77/96/632957796.db2.gz AMUJVLPQKGKLMP-WBMJQRKESA-N 1 1 289.423 2.147 20 10 CECDMO CC[C@]1(O)CC[N@@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000815096990 632957834 /nfs/dbraw/zinc/95/78/34/632957834.db2.gz YCMUJGJOYCDKON-INIZCTEOSA-N 1 1 262.397 2.408 20 10 CECDMO Cc1cc(C[N@@H+]2CCOCC23CC3)ccc1N(C)C ZINC000815112314 632961420 /nfs/dbraw/zinc/96/14/20/632961420.db2.gz OFDJBSSBLDHFKG-UHFFFAOYSA-N 1 1 260.381 2.426 20 10 CECDMO Cc1cc(C[N@H+]2CCOCC23CC3)ccc1N(C)C ZINC000815112314 632961422 /nfs/dbraw/zinc/96/14/22/632961422.db2.gz OFDJBSSBLDHFKG-UHFFFAOYSA-N 1 1 260.381 2.426 20 10 CECDMO Cc1cc(C[NH2+][C@H](C)c2cn(C)nn2)ccc1N(C)C ZINC000902871597 634864624 /nfs/dbraw/zinc/86/46/24/634864624.db2.gz QXZAXHVUSHMKAU-GFCCVEGCSA-N 1 1 273.384 2.040 20 10 CECDMO CNC(=O)[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)C(C)C ZINC000816558039 633412131 /nfs/dbraw/zinc/41/21/31/633412131.db2.gz KLLBGRDALDTMSS-LBPRGKRZSA-N 1 1 288.750 2.045 20 10 CECDMO CCOc1ccc(C[N@H+]2CCC[C@@H](O)CC2)c(O)c1 ZINC000816667146 633460454 /nfs/dbraw/zinc/46/04/54/633460454.db2.gz DSVBQHFCFKVJDE-CYBMUJFWSA-N 1 1 265.353 2.138 20 10 CECDMO Cc1cc(O)c(C[N@@H+]2C[C@H](CO)OC(C)(C)C2)c(Cl)c1 ZINC000817412130 633650557 /nfs/dbraw/zinc/65/05/57/633650557.db2.gz DIWYDHVSKOHVFY-LLVKDONJSA-N 1 1 299.798 2.326 20 10 CECDMO Cc1cc(O)c(C[N@H+]2C[C@H](CO)OC(C)(C)C2)c(Cl)c1 ZINC000817412130 633650560 /nfs/dbraw/zinc/65/05/60/633650560.db2.gz DIWYDHVSKOHVFY-LLVKDONJSA-N 1 1 299.798 2.326 20 10 CECDMO C[C@H]1C[C@@H](CO)C[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000817413330 633651705 /nfs/dbraw/zinc/65/17/05/633651705.db2.gz WKPKYSJEJLZCIT-WDEREUQCSA-N 1 1 269.772 2.496 20 10 CECDMO Cc1cc(O)c(C[N@@H+]2C[C@H](CO)C[C@H](C)C2)cc1C ZINC000817413087 633652375 /nfs/dbraw/zinc/65/23/75/633652375.db2.gz SWGOSUCSOFMMOP-SMDDNHRTSA-N 1 1 263.381 2.459 20 10 CECDMO CCOc1ccc(CN(C)C[C@@H]2CCC[N@H+]2C)c(O)c1 ZINC000817417587 633656519 /nfs/dbraw/zinc/65/65/19/633656519.db2.gz PZFYCVXCICBJLY-AWEZNQCLSA-N 1 1 278.396 2.317 20 10 CECDMO CCOc1ccc(C[N@H+](C)C[C@@H]2CCCN2C)c(O)c1 ZINC000817417587 633656521 /nfs/dbraw/zinc/65/65/21/633656521.db2.gz PZFYCVXCICBJLY-AWEZNQCLSA-N 1 1 278.396 2.317 20 10 CECDMO CCOc1ccc(C[N@@H+](C)C[C@@H]2CCCN2C)c(O)c1 ZINC000817417587 633656528 /nfs/dbraw/zinc/65/65/28/633656528.db2.gz PZFYCVXCICBJLY-AWEZNQCLSA-N 1 1 278.396 2.317 20 10 CECDMO C[C@@H]1CC[NH2+]CC[C@H]1NCc1ccc(N(C)C)c(F)c1 ZINC000817900634 633761350 /nfs/dbraw/zinc/76/13/50/633761350.db2.gz PCNBIEYBQFFDSV-IUODEOHRSA-N 1 1 279.403 2.369 20 10 CECDMO C[C@H](C[NH3+])C[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000817963019 633804498 /nfs/dbraw/zinc/80/44/98/633804498.db2.gz QFUTXYMEFYOXBG-RKDXNWHRSA-N 1 1 287.201 2.400 20 10 CECDMO C[C@H]([NH2+]CC1C[NH2+]C1)c1cc(Br)ccc1[O-] ZINC000817965333 633806353 /nfs/dbraw/zinc/80/63/53/633806353.db2.gz OMOWXBYTZPQBHZ-QMMMGPOBSA-N 1 1 285.185 2.025 20 10 CECDMO CC[C@@H]([NH2+]CC[C@H]1CC(=O)N(C)C1)c1ccc(F)cc1O ZINC000903213341 635018385 /nfs/dbraw/zinc/01/83/85/635018385.db2.gz MPGSKCBOFPEMEL-SMDDNHRTSA-N 1 1 294.370 2.440 20 10 CECDMO C[C@H](C(=O)NCc1cc(Cl)cc(Cl)c1O)[NH+](C)C ZINC000822949397 635034130 /nfs/dbraw/zinc/03/41/30/635034130.db2.gz JLHNGCJCYZIKQE-SSDOTTSWSA-N 1 1 291.178 2.265 20 10 CECDMO Cc1cccc(C[NH2+]C[C@H]2CNCCC2(F)F)c1O ZINC000903954871 635389211 /nfs/dbraw/zinc/38/92/11/635389211.db2.gz HMRHYKRBMXCORS-GFCCVEGCSA-N 1 1 270.323 2.035 20 10 CECDMO Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@H](N)C(C)(C)C1 ZINC000903987039 635405777 /nfs/dbraw/zinc/40/57/77/635405777.db2.gz XGYPUDWTTHRHAK-HNNXBMFYSA-N 1 1 261.413 2.230 20 10 CECDMO Cc1cc(N(C)C)ccc1C[N@H+]1C[C@H](N)C(C)(C)C1 ZINC000903987039 635405780 /nfs/dbraw/zinc/40/57/80/635405780.db2.gz XGYPUDWTTHRHAK-HNNXBMFYSA-N 1 1 261.413 2.230 20 10 CECDMO Cc1cc(O)c(C[N@H+](C)[C@H]2CCCCNC2=O)cc1Cl ZINC000824645395 635469999 /nfs/dbraw/zinc/46/99/99/635469999.db2.gz HLXJXJHLLPNIII-ZDUSSCGKSA-N 1 1 296.798 2.455 20 10 CECDMO Cc1cccc(C[N@H+]2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)c1O ZINC000824653942 635471538 /nfs/dbraw/zinc/47/15/38/635471538.db2.gz JSDVBNNLCRPBMJ-BZUAXINKSA-N 1 1 291.391 2.062 20 10 CECDMO CC[C@@H]1C[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000824783723 635498625 /nfs/dbraw/zinc/49/86/25/635498625.db2.gz UJVCLXVJRAMOGS-KOLCDFICSA-N 1 1 280.324 2.445 20 10 CECDMO Cc1cc(Cl)cc(C[N@H+](CCO)[C@@H]2CCO[C@@H]2C)c1O ZINC000825130373 635576360 /nfs/dbraw/zinc/57/63/60/635576360.db2.gz WZTCQOIJUHSAMZ-BXUZGUMPSA-N 1 1 299.798 2.326 20 10 CECDMO CCOc1ccc(C[N@H+]2CC[C@H](CCCO)C2)c(O)c1 ZINC000825338667 635620048 /nfs/dbraw/zinc/62/00/48/635620048.db2.gz SWDSQVAALZTBQJ-ZDUSSCGKSA-N 1 1 279.380 2.385 20 10 CECDMO C[C@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])CC[C@H]1C[NH3+] ZINC000904412408 635620545 /nfs/dbraw/zinc/62/05/45/635620545.db2.gz VISJPLGYSKDOIO-QWRGUYRKSA-N 1 1 268.788 2.462 20 10 CECDMO CCN1CCC[N@H+](Cc2cc(Cl)c(C)cc2O)CC1=O ZINC000825651848 635685820 /nfs/dbraw/zinc/68/58/20/635685820.db2.gz MJXUSIAZHDEZIC-UHFFFAOYSA-N 1 1 296.798 2.408 20 10 CECDMO CCN1CCC[N@@H+](Cc2cc(Cl)c(C)cc2O)CC1=O ZINC000825651848 635685824 /nfs/dbraw/zinc/68/58/24/635685824.db2.gz MJXUSIAZHDEZIC-UHFFFAOYSA-N 1 1 296.798 2.408 20 10 CECDMO CO[C@@]1(CO)CCC[N@@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000826952922 636169453 /nfs/dbraw/zinc/16/94/53/636169453.db2.gz XEHXELMPZKKUSR-HNNXBMFYSA-N 1 1 299.798 2.327 20 10 CECDMO Cc1cc(Cl)cc(C[N@@H+](C)C[C@H]2COCCO2)c1O ZINC000827140539 636234180 /nfs/dbraw/zinc/23/41/80/636234180.db2.gz LFASDSPVERHSSO-ZDUSSCGKSA-N 1 1 285.771 2.201 20 10 CECDMO CCOc1cccc(C[N@H+]2C[C@H]3COC[C@@]3(C)C2)c1O ZINC000827282804 636279355 /nfs/dbraw/zinc/27/93/55/636279355.db2.gz NICJETHUWHXDEM-XJKSGUPXSA-N 1 1 277.364 2.259 20 10 CECDMO Cc1cc(O)c(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)cc1Cl ZINC000827293342 636282296 /nfs/dbraw/zinc/28/22/96/636282296.db2.gz XYLYZNYDXMZTRY-SMDDNHRTSA-N 1 1 267.756 2.311 20 10 CECDMO C[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)CCC3)CCO1 ZINC000905737894 636425259 /nfs/dbraw/zinc/42/52/59/636425259.db2.gz JDMMLYCSYCDHLA-GFCCVEGCSA-N 1 1 261.365 2.492 20 10 CECDMO Cc1cc(Cl)cc(C[N@H+](C)C2(CO)CC2)c1O ZINC000827903601 636455892 /nfs/dbraw/zinc/45/58/92/636455892.db2.gz LLIVJLUCCIYPFO-UHFFFAOYSA-N 1 1 255.745 2.311 20 10 CECDMO CCOc1ccc(C[N@@H+](C)C2(CO)CCC2)c(O)c1 ZINC000827903428 636456587 /nfs/dbraw/zinc/45/65/87/636456587.db2.gz HOQQKIWIRHLSOS-UHFFFAOYSA-N 1 1 265.353 2.138 20 10 CECDMO CCCC[N@H+](Cc1ccccc1O)C[C@@H]1COCCO1 ZINC000829516014 636873146 /nfs/dbraw/zinc/87/31/46/636873146.db2.gz MPTBWFTYDCTXCA-OAHLLOKOSA-N 1 1 279.380 2.410 20 10 CECDMO C[C@@H]1CN(C(=O)C2=CC(=O)CS2)CC[N@@H+](C2CC2)C1 ZINC000832953955 637704070 /nfs/dbraw/zinc/70/40/70/637704070.db2.gz HVNVTYQKTPVBFG-JTQLQIEISA-N 1 1 280.393 2.010 20 10 CECDMO C[C@@H]1CN(C(=O)C2=CC(=O)CS2)CC[N@H+](C2CC2)C1 ZINC000832953955 637704073 /nfs/dbraw/zinc/70/40/73/637704073.db2.gz HVNVTYQKTPVBFG-JTQLQIEISA-N 1 1 280.393 2.010 20 10 CECDMO Cc1ccc(C[N@H+](C)Cc2nnc3ccccn32)c(O)c1 ZINC000876655940 650380883 /nfs/dbraw/zinc/38/08/83/650380883.db2.gz ZJRYOHWEIIUHFY-UHFFFAOYSA-N 1 1 282.347 2.375 20 10 CECDMO Cc1ccc(C[N@@H+](C)Cc2nnc3ccccn32)c(O)c1 ZINC000876655940 650380885 /nfs/dbraw/zinc/38/08/85/650380885.db2.gz ZJRYOHWEIIUHFY-UHFFFAOYSA-N 1 1 282.347 2.375 20 10 CECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCC[C@H]2OC)c1 ZINC000834887217 637977770 /nfs/dbraw/zinc/97/77/70/637977770.db2.gz QCLVHKYNFRZWJL-WDBKCZKBSA-N 1 1 293.363 2.397 20 10 CECDMO CCC1(C[NH2+][C@H](C)c2cc(C(=O)OC)ccc2O)COC1 ZINC000834899662 637981179 /nfs/dbraw/zinc/98/11/79/637981179.db2.gz LIHHCSIGMPIVTN-LLVKDONJSA-N 1 1 293.363 2.256 20 10 CECDMO CNC(=O)[C@H](C)C[N@@H+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835027945 638030297 /nfs/dbraw/zinc/03/02/97/638030297.db2.gz FJVGKZOXCUJNRZ-PSKZRQQASA-N 1 1 289.423 2.080 20 10 CECDMO CN(C)c1ccc(/C=C\C[N@@H+]2CCC3(C2)OCCO3)cc1 ZINC000835029345 638030922 /nfs/dbraw/zinc/03/09/22/638030922.db2.gz WTWLOUDTWKBIQP-ARJAWSKDSA-N 1 1 288.391 2.215 20 10 CECDMO CN(C)c1ccc(/C=C\C[N@H+]2CCC3(C2)OCCO3)cc1 ZINC000835029345 638030931 /nfs/dbraw/zinc/03/09/31/638030931.db2.gz WTWLOUDTWKBIQP-ARJAWSKDSA-N 1 1 288.391 2.215 20 10 CECDMO C[C@@H]1C[N@@H+](C/C=C\c2ccc(N(C)C)cc2)CC[C@@H]1O ZINC000835044874 638036143 /nfs/dbraw/zinc/03/61/43/638036143.db2.gz ACYOOHDDHUCNOS-DSLFPGPSSA-N 1 1 274.408 2.469 20 10 CECDMO Cc1nc(CC[NH2+]C/C=C\c2ccc(N(C)C)cc2)n[nH]1 ZINC000835045370 638036403 /nfs/dbraw/zinc/03/64/03/638036403.db2.gz VJNOKANRMHDXGB-PLNGDYQASA-N 1 1 285.395 2.025 20 10 CECDMO Cc1nnc(CC[NH2+]C/C=C\c2ccc(N(C)C)cc2)[nH]1 ZINC000835045370 638036408 /nfs/dbraw/zinc/03/64/08/638036408.db2.gz VJNOKANRMHDXGB-PLNGDYQASA-N 1 1 285.395 2.025 20 10 CECDMO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3ccc(C)cc3O)[C@@H]2C1 ZINC000876815459 650443843 /nfs/dbraw/zinc/44/38/43/650443843.db2.gz YELUBYHIFIKIDG-INMHGKMJSA-N 1 1 291.391 2.469 20 10 CECDMO COC(=O)C[N@H+](Cc1ccc(N(C)C)cc1C)C(C)C ZINC000840910149 639582367 /nfs/dbraw/zinc/58/23/67/639582367.db2.gz LIUQQFPAOODKKL-UHFFFAOYSA-N 1 1 278.396 2.444 20 10 CECDMO COC(=O)C[N@@H+](Cc1ccc(N(C)C)cc1C)C(C)C ZINC000840910149 639582372 /nfs/dbraw/zinc/58/23/72/639582372.db2.gz LIUQQFPAOODKKL-UHFFFAOYSA-N 1 1 278.396 2.444 20 10 CECDMO Cc1cc(N(C)C)ccc1C[N@@H+]1CCN(C)C(=O)C1(C)C ZINC000840916447 639584073 /nfs/dbraw/zinc/58/40/73/639584073.db2.gz KUUDEVQOAHXROE-UHFFFAOYSA-N 1 1 289.423 2.114 20 10 CECDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCN(C)C(=O)C1(C)C ZINC000840916447 639584078 /nfs/dbraw/zinc/58/40/78/639584078.db2.gz KUUDEVQOAHXROE-UHFFFAOYSA-N 1 1 289.423 2.114 20 10 CECDMO CCOc1ccc(C[NH2+][C@@H](C)c2csnn2)c(O)c1 ZINC000840969627 639605143 /nfs/dbraw/zinc/60/51/43/639605143.db2.gz FVPZJMWAMRTRPR-VIFPVBQESA-N 1 1 279.365 2.493 20 10 CECDMO CC(C)[N@H+](Cc1cc(F)ccc1O)C[C@@H]1CCC(=O)N1 ZINC000840976688 639607881 /nfs/dbraw/zinc/60/78/81/639607881.db2.gz PXGNJGBGMXNGKH-ZDUSSCGKSA-N 1 1 280.343 2.020 20 10 CECDMO Oc1ccc(Cl)c(F)c1CN1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000841026815 639620108 /nfs/dbraw/zinc/62/01/08/639620108.db2.gz QPNSVSAHGAVCJU-JOYOIKCWSA-N 1 1 284.762 2.369 20 10 CECDMO C[C@H](NCc1ccc(N(C)C)c(F)c1)[C@H]1CCC[NH2+]C1 ZINC000841032354 639623805 /nfs/dbraw/zinc/62/38/05/639623805.db2.gz BMMJMXDAOYUVEZ-JSGCOSHPSA-N 1 1 279.403 2.369 20 10 CECDMO COc1ccc(N2CCC(N[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000841041679 639629877 /nfs/dbraw/zinc/62/98/77/639629877.db2.gz DTXQUDQOBMJOFW-OAHLLOKOSA-N 1 1 289.423 2.006 20 10 CECDMO CCCNCC[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000841046650 639630770 /nfs/dbraw/zinc/63/07/70/639630770.db2.gz KMNIVYVSFLDWQT-UHFFFAOYSA-N 1 1 291.439 2.253 20 10 CECDMO CCOCc1cc(CNC2(C)CC[NH2+]CC2)ccc1OC ZINC000841064522 639640097 /nfs/dbraw/zinc/64/00/97/639640097.db2.gz HKAKYJYCYFGJQY-UHFFFAOYSA-N 1 1 292.423 2.463 20 10 CECDMO C[C@@H]([NH2+]C[C@]1(C)CCC(=O)N1)c1ccc(Cl)cc1O ZINC000841755577 639860134 /nfs/dbraw/zinc/86/01/34/639860134.db2.gz JIVVNNRNHFUSLF-OTYXRUKQSA-N 1 1 282.771 2.365 20 10 CECDMO C[C@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)CC2(CCC2)O1 ZINC000842644712 640133230 /nfs/dbraw/zinc/13/32/30/640133230.db2.gz TZCDLADTVGIMAS-NSHDSACASA-N 1 1 291.347 2.264 20 10 CECDMO CC[C@@H]([NH2+]CCCc1ncn(C)n1)c1ccc(F)cc1O ZINC000842904657 640217169 /nfs/dbraw/zinc/21/71/69/640217169.db2.gz VSNDZAYRJKSYGJ-CYBMUJFWSA-N 1 1 292.358 2.333 20 10 CECDMO C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000843057243 640260400 /nfs/dbraw/zinc/26/04/00/640260400.db2.gz HLDLCABARLOYOP-UWVGGRQHSA-N 1 1 299.212 2.324 20 10 CECDMO C[C@@H]1C[NH2+][C@@H](C)CN1Cc1c(O)ccc(Cl)c1F ZINC000843119703 640288603 /nfs/dbraw/zinc/28/86/03/640288603.db2.gz CSLOZJINESPPBT-DTWKUNHWSA-N 1 1 272.751 2.367 20 10 CECDMO Oc1ccc(F)cc1C[N@@H+]1CCO[C@]2(CCSC2)C1 ZINC000843417572 640421972 /nfs/dbraw/zinc/42/19/72/640421972.db2.gz IUYFLGIHRYEBQM-CQSZACIVSA-N 1 1 283.368 2.239 20 10 CECDMO Oc1ccc(F)cc1C[N@H+]1CCO[C@]2(CCSC2)C1 ZINC000843417572 640421978 /nfs/dbraw/zinc/42/19/78/640421978.db2.gz IUYFLGIHRYEBQM-CQSZACIVSA-N 1 1 283.368 2.239 20 10 CECDMO CN(C)c1ccc(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)cc1 ZINC000844461156 640736353 /nfs/dbraw/zinc/73/63/53/640736353.db2.gz ITDWAWRZQMJVKV-BETUJISGSA-N 1 1 252.308 2.450 20 10 CECDMO O=[S@]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1c(O)ccc2ccccc21 ZINC000844741344 640822985 /nfs/dbraw/zinc/82/29/85/640822985.db2.gz KXFYFBKHAVCZQS-QAJFTPDKSA-N 1 1 287.384 2.251 20 10 CECDMO [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1cccc(F)c1[O-])C2 ZINC000844902625 640860995 /nfs/dbraw/zinc/86/09/95/640860995.db2.gz UBLNJPRXXOGBQN-WFASDCNBSA-N 1 1 264.344 2.092 20 10 CECDMO C[C@H](CCO)[N@H+](C)Cc1cc(Cl)c(F)cc1O ZINC000846113017 641187263 /nfs/dbraw/zinc/18/72/63/641187263.db2.gz XWKLHYXCTISMDT-MRVPVSSYSA-N 1 1 261.724 2.387 20 10 CECDMO C[C@H](CCO)[N@@H+](C)Cc1cc(Cl)c(F)cc1O ZINC000846113017 641187268 /nfs/dbraw/zinc/18/72/68/641187268.db2.gz XWKLHYXCTISMDT-MRVPVSSYSA-N 1 1 261.724 2.387 20 10 CECDMO COc1cccc([C@H](C)[NH2+][C@@H]2CCc3[nH]cnc3C2)c1O ZINC000846168450 641210785 /nfs/dbraw/zinc/21/07/85/641210785.db2.gz CTWQEYUAUZGJIG-WDEREUQCSA-N 1 1 287.363 2.332 20 10 CECDMO CC[C@@H]([NH2+][C@@H](CO)CCF)c1ccc(F)cc1O ZINC000846207531 641221930 /nfs/dbraw/zinc/22/19/30/641221930.db2.gz CRSKRGHODKRBLJ-ZYHUDNBSSA-N 1 1 259.296 2.293 20 10 CECDMO COc1ccc(O)c(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000179734037 641380105 /nfs/dbraw/zinc/38/01/05/641380105.db2.gz RNOMZMWUBXJFCM-CYBMUJFWSA-N 1 1 278.396 2.174 20 10 CECDMO COc1ccc(O)c(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000179734037 641380111 /nfs/dbraw/zinc/38/01/11/641380111.db2.gz RNOMZMWUBXJFCM-CYBMUJFWSA-N 1 1 278.396 2.174 20 10 CECDMO COc1ccc(O)c(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000179734037 641380117 /nfs/dbraw/zinc/38/01/17/641380117.db2.gz RNOMZMWUBXJFCM-CYBMUJFWSA-N 1 1 278.396 2.174 20 10 CECDMO COc1ccc(O)c(C[N@H+](C)C[C@@H]2CCCN(C)C2)c1 ZINC000179734037 641380119 /nfs/dbraw/zinc/38/01/19/641380119.db2.gz RNOMZMWUBXJFCM-CYBMUJFWSA-N 1 1 278.396 2.174 20 10 CECDMO COc1ccc(O)c(C[N@@H+](C)C[C@@H]2CCCN(C)C2)c1 ZINC000179734037 641380125 /nfs/dbraw/zinc/38/01/25/641380125.db2.gz RNOMZMWUBXJFCM-CYBMUJFWSA-N 1 1 278.396 2.174 20 10 CECDMO C[N@@H+](Cc1ccc[nH]1)Cc1ccc(N2CCOCC2)cc1 ZINC000180173812 641424323 /nfs/dbraw/zinc/42/43/23/641424323.db2.gz MMGJLHWRVYOPKP-UHFFFAOYSA-N 1 1 285.391 2.483 20 10 CECDMO Oc1c(Br)cccc1C[NH2+][C@@H]1CCCOC1 ZINC000071012728 641716050 /nfs/dbraw/zinc/71/60/50/641716050.db2.gz FFAPDEMCFMLBPS-SNVBAGLBSA-N 1 1 286.169 2.423 20 10 CECDMO Oc1c(Br)cccc1C[NH2+][C@H]1CCCOC1 ZINC000071012731 641716130 /nfs/dbraw/zinc/71/61/30/641716130.db2.gz FFAPDEMCFMLBPS-JTQLQIEISA-N 1 1 286.169 2.423 20 10 CECDMO C[C@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000847759752 641762365 /nfs/dbraw/zinc/76/23/65/641762365.db2.gz CJEQQJMJDMVFTP-KGLIPLIRSA-N 1 1 289.423 2.272 20 10 CECDMO COCCN1CCC[C@H]1C[NH2+][C@H](C)c1ccc(F)cc1O ZINC000185329634 641964929 /nfs/dbraw/zinc/96/49/29/641964929.db2.gz JBGFPKGRTNXABS-OCCSQVGLSA-N 1 1 296.386 2.293 20 10 CECDMO CCc1cccc(C[N@H+]2CC[C@H](C)C[C@@H]2C(N)=O)c1O ZINC000848904264 642181819 /nfs/dbraw/zinc/18/18/19/642181819.db2.gz OSBXTBHFYIUPQA-SMDDNHRTSA-N 1 1 276.380 2.040 20 10 CECDMO CCc1cccc(C[N@H+]2CCNC(=O)[C@H]2CC(C)C)c1O ZINC000848906484 642183269 /nfs/dbraw/zinc/18/32/69/642183269.db2.gz WYVAKXUTUNCPPS-OAHLLOKOSA-N 1 1 290.407 2.301 20 10 CECDMO CCc1cccc(C[N@@H+]2CCO[C@H](CF)C2)c1O ZINC000848917533 642191037 /nfs/dbraw/zinc/19/10/37/642191037.db2.gz ULSQLKCGPSDDSK-CYBMUJFWSA-N 1 1 253.317 2.125 20 10 CECDMO CCc1cccc(C[N@H+]2CCO[C@H](CF)C2)c1O ZINC000848917533 642191038 /nfs/dbraw/zinc/19/10/38/642191038.db2.gz ULSQLKCGPSDDSK-CYBMUJFWSA-N 1 1 253.317 2.125 20 10 CECDMO Cc1ccc(C[N@@H+]2CC[C@@H](c3nccn3C)C2)c(O)c1 ZINC000877528926 650769458 /nfs/dbraw/zinc/76/94/58/650769458.db2.gz NYAOFSBGDCQIFV-CQSZACIVSA-N 1 1 271.364 2.424 20 10 CECDMO Cc1cccc(O)c1C[N@H+]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000877529632 650769516 /nfs/dbraw/zinc/76/95/16/650769516.db2.gz JODDAWHFWSXPSH-CQSZACIVSA-N 1 1 288.391 2.145 20 10 CECDMO CCCn1cc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)nn1 ZINC000877533706 650773064 /nfs/dbraw/zinc/77/30/64/650773064.db2.gz QHROJEFNDSGEKR-NSHDSACASA-N 1 1 290.367 2.253 20 10 CECDMO Cn1ccc(C[NH2+]Cc2ccc3c(c2)CCCO3)n1 ZINC000921947031 642801899 /nfs/dbraw/zinc/80/18/99/642801899.db2.gz CVCKJJLDJLDVCK-UHFFFAOYSA-N 1 1 257.337 2.035 20 10 CECDMO c1cc2c(cc1CNCc1n[nH]c(C3CC3)n1)CCCO2 ZINC000922154294 642910936 /nfs/dbraw/zinc/91/09/36/642910936.db2.gz MYWDGOVHZFMMPW-UHFFFAOYSA-N 1 1 284.363 2.297 20 10 CECDMO c1cc2c(cc1C[NH2+]Cc1nnc(C3CC3)[nH]1)CCCO2 ZINC000922154294 642910941 /nfs/dbraw/zinc/91/09/41/642910941.db2.gz MYWDGOVHZFMMPW-UHFFFAOYSA-N 1 1 284.363 2.297 20 10 CECDMO Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](Oc3ccccc3)C2)c(O)c1 ZINC000877665890 650840858 /nfs/dbraw/zinc/84/08/58/650840858.db2.gz MUSLWOPNEINPGJ-QZTJIDSGSA-N 1 1 299.370 2.325 20 10 CECDMO CC(=O)NC[C@H]1CCCC[N@H+]1Cc1cc(C)ccc1O ZINC000877676076 650845228 /nfs/dbraw/zinc/84/52/28/650845228.db2.gz XVFHZKVEZXJMCC-OAHLLOKOSA-N 1 1 276.380 2.191 20 10 CECDMO CC[C@@]1(O)CCC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000877692632 650853498 /nfs/dbraw/zinc/85/34/98/650853498.db2.gz MJOJPLBILOSHJM-MRXNPFEDSA-N 1 1 262.397 2.490 20 10 CECDMO Cc1cc(CN2CC[C@]3(CC[NH2+]C3)C2)ccc1N(C)C ZINC000923330652 643661367 /nfs/dbraw/zinc/66/13/67/643661367.db2.gz BVDUALNLVMQQCG-KRWDZBQOSA-N 1 1 273.424 2.246 20 10 CECDMO Cc1ccc(O)c(C[N@H+]2Cc3cccc(O)c3C2)n1 ZINC000877703131 650859762 /nfs/dbraw/zinc/85/97/62/650859762.db2.gz SIZPUOAXGMFKGS-UHFFFAOYSA-N 1 1 256.305 2.317 20 10 CECDMO COc1cccc(CNc2cc(CO)cc(C)[nH+]2)c1O ZINC000853259288 643724878 /nfs/dbraw/zinc/72/48/78/643724878.db2.gz XCSCQZXFKFDAPK-UHFFFAOYSA-N 1 1 274.320 2.209 20 10 CECDMO C[C@@H]([NH2+]CC1(O)CCCC1)c1ccc(F)cc1O ZINC000087015754 643738826 /nfs/dbraw/zinc/73/88/26/643738826.db2.gz GWTVDQPBLWWIHV-SNVBAGLBSA-N 1 1 253.317 2.487 20 10 CECDMO COCC[N@@H+](CCF)Cc1cc(C)cc(C)c1O ZINC000853548750 643812057 /nfs/dbraw/zinc/81/20/57/643812057.db2.gz NULNHEKIJTUGSW-UHFFFAOYSA-N 1 1 255.333 2.427 20 10 CECDMO COc1ccc(O)c([C@H](C)NCC2([NH3+])CCCC2)c1 ZINC000854222656 644014919 /nfs/dbraw/zinc/01/49/19/644014919.db2.gz JLPAVCHXYNWXOH-NSHDSACASA-N 1 1 264.369 2.323 20 10 CECDMO CN(C)c1ccc(C[N@H+]2C[C@@H](O)CC(C)(C)C2)cc1 ZINC000877753362 650896962 /nfs/dbraw/zinc/89/69/62/650896962.db2.gz NPBNVFJWGWCOBX-HNNXBMFYSA-N 1 1 262.397 2.345 20 10 CECDMO CCOc1cccc(C[NH+]2CC(OCC)C2)c1O ZINC000839133010 644169384 /nfs/dbraw/zinc/16/93/84/644169384.db2.gz UFWQWVSLJZOFJM-UHFFFAOYSA-N 1 1 251.326 2.012 20 10 CECDMO Oc1c(F)cccc1C[NH+]1CC2(C1)CCCOC2 ZINC000839138749 644170980 /nfs/dbraw/zinc/17/09/80/644170980.db2.gz SNIZIZNLADHBRL-UHFFFAOYSA-N 1 1 251.301 2.144 20 10 CECDMO CC(C)(O)[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000877796605 650913822 /nfs/dbraw/zinc/91/38/22/650913822.db2.gz KGBJZLGXKPOUPV-LBPRGKRZSA-N 1 1 293.363 2.104 20 10 CECDMO CN(C)c1ccc(C[N@H+]2CC[C@@H](C(C)(C)O)C2)cc1F ZINC000877835762 650927910 /nfs/dbraw/zinc/92/79/10/650927910.db2.gz WVFLEGFWLHSITF-CYBMUJFWSA-N 1 1 280.387 2.485 20 10 CECDMO Cc1[nH+]cn(Cc2ccc(N3CCOCC3)cc2)c1C ZINC000877889124 650938937 /nfs/dbraw/zinc/93/89/37/650938937.db2.gz SYLHQPGPBASXTD-UHFFFAOYSA-N 1 1 271.364 2.385 20 10 CECDMO COCCOC[C@H](C)[NH2+][C@H](C)c1ccc(F)cc1O ZINC000756734263 644687435 /nfs/dbraw/zinc/68/74/35/644687435.db2.gz VJOIPLWAQNQHPR-WDEREUQCSA-N 1 1 271.332 2.233 20 10 CECDMO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](C)[C@H](CO)C2)c1O ZINC000856792236 644727376 /nfs/dbraw/zinc/72/73/76/644727376.db2.gz LOTUOEOQUJTUAY-GWCFXTLKSA-N 1 1 295.354 2.184 20 10 CECDMO [NH3+][C@H]1CCCN(Cc2cccc(Br)c2O)C1 ZINC000843043624 644746535 /nfs/dbraw/zinc/74/65/35/644746535.db2.gz AAHKBMJRFIWIIH-JTQLQIEISA-N 1 1 285.185 2.078 20 10 CECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC[C@@H]2CCOC2)c1 ZINC000757656749 644831821 /nfs/dbraw/zinc/83/18/21/644831821.db2.gz MBYWOKXWYLFACS-NWDGAFQWSA-N 1 1 293.363 2.256 20 10 CECDMO [NH3+][C@]12CCC[C@H]1CN(Cc1cc(Cl)cc(F)c1O)C2 ZINC000857225948 644858809 /nfs/dbraw/zinc/85/88/09/644858809.db2.gz BOTLBDKHQQBFFF-HZMBPMFUSA-N 1 1 284.762 2.498 20 10 CECDMO Cc1[nH+]ccn1CCCCOC(=O)c1cccc(O)c1O ZINC000758555957 644940350 /nfs/dbraw/zinc/94/03/50/644940350.db2.gz ACBRVLPMQBJFJQ-UHFFFAOYSA-N 1 1 290.319 2.240 20 10 CECDMO C[C@H]([NH2+]C[C@H]1C[C@@H](O)C1)c1ccc(Cl)cc1O ZINC000858543415 645196185 /nfs/dbraw/zinc/19/61/85/645196185.db2.gz IPTIWRKRCCLWPO-ATZCPNFKSA-N 1 1 255.745 2.467 20 10 CECDMO COc1cccc(O)c1CN1CCC[C@@H]([NH+](C)C)CC1 ZINC000763617967 645560534 /nfs/dbraw/zinc/56/05/34/645560534.db2.gz YGXSCDJBBBUDAB-CYBMUJFWSA-N 1 1 278.396 2.317 20 10 CECDMO Cc1cc(C[N@@H+](C)C[C@H]2C[C@@H](O)C2)ccc1N(C)C ZINC000859969662 645667171 /nfs/dbraw/zinc/66/71/71/645667171.db2.gz BELXWKDCSWEMFB-GASCZTMLSA-N 1 1 262.397 2.264 20 10 CECDMO CC[C@@H]1C[N@H+](Cc2c(O)cccc2OC)CCO1 ZINC000768238041 646099018 /nfs/dbraw/zinc/09/90/18/646099018.db2.gz PAZJBZDBVHIYGG-LLVKDONJSA-N 1 1 251.326 2.012 20 10 CECDMO CC[C@@H]1C[N@@H+](Cc2c(O)cccc2OC)CCO1 ZINC000768238041 646099024 /nfs/dbraw/zinc/09/90/24/646099024.db2.gz PAZJBZDBVHIYGG-LLVKDONJSA-N 1 1 251.326 2.012 20 10 CECDMO CC[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CCS1 ZINC000768465619 646127551 /nfs/dbraw/zinc/12/75/51/646127551.db2.gz JCRAVYHGFYBPGT-RISCZKNCSA-N 1 1 295.404 2.145 20 10 CECDMO COc1cc(C[N@H+]2CC[C@@H](N3CC=CC3)C2)c(O)cc1C ZINC000768465790 646127940 /nfs/dbraw/zinc/12/79/40/646127940.db2.gz LHVJNGUBGBMEJG-OAHLLOKOSA-N 1 1 288.391 2.155 20 10 CECDMO COc1cc(CN2CC[C@@H]([NH+]3CC=CC3)C2)c(O)cc1C ZINC000768465790 646127946 /nfs/dbraw/zinc/12/79/46/646127946.db2.gz LHVJNGUBGBMEJG-OAHLLOKOSA-N 1 1 288.391 2.155 20 10 CECDMO CCOc1ccc(C[N@H+](CC(=O)OC)C(C)C)c(O)c1 ZINC000768688434 646153299 /nfs/dbraw/zinc/15/32/99/646153299.db2.gz PQGJXWLKPOFTQV-UHFFFAOYSA-N 1 1 281.352 2.174 20 10 CECDMO CCOc1ccc(C[N@@H+](CC(=O)OC)C(C)C)c(O)c1 ZINC000768688434 646153302 /nfs/dbraw/zinc/15/33/02/646153302.db2.gz PQGJXWLKPOFTQV-UHFFFAOYSA-N 1 1 281.352 2.174 20 10 CECDMO CC[N@H+]1C[C@H](C)N(Cc2cc3c(cc2O)OCO3)C[C@H]1C ZINC000769467826 646272487 /nfs/dbraw/zinc/27/24/87/646272487.db2.gz ZRGINNBMGHMFGP-NEPJUHHUSA-N 1 1 292.379 2.035 20 10 CECDMO CCN1C[C@H](C)[N@H+](Cc2cc3c(cc2O)OCO3)C[C@H]1C ZINC000769467826 646272490 /nfs/dbraw/zinc/27/24/90/646272490.db2.gz ZRGINNBMGHMFGP-NEPJUHHUSA-N 1 1 292.379 2.035 20 10 CECDMO CCN1C[C@H](C)[N@@H+](Cc2cc3c(cc2O)OCO3)C[C@H]1C ZINC000769467826 646272491 /nfs/dbraw/zinc/27/24/91/646272491.db2.gz ZRGINNBMGHMFGP-NEPJUHHUSA-N 1 1 292.379 2.035 20 10 CECDMO CCOc1ccc(C[N@H+]2CCC[C@@H]2CC(=O)OC)c(O)c1 ZINC000769483440 646275791 /nfs/dbraw/zinc/27/57/91/646275791.db2.gz NFVJDWWEMYHYDL-CYBMUJFWSA-N 1 1 293.363 2.318 20 10 CECDMO C[C@H]1COCC[N@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862246626 646378263 /nfs/dbraw/zinc/37/82/63/646378263.db2.gz LNNNMJJJJSTDBM-LLVKDONJSA-N 1 1 284.350 2.499 20 10 CECDMO C[C@H]1COCC[N@@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862246626 646378270 /nfs/dbraw/zinc/37/82/70/646378270.db2.gz LNNNMJJJJSTDBM-LLVKDONJSA-N 1 1 284.350 2.499 20 10 CECDMO CN(C)c1cc(F)c(C[N@@H+](C)C[C@H]2CCOC2)cc1F ZINC000862250687 646380618 /nfs/dbraw/zinc/38/06/18/646380618.db2.gz OIDUAFSZCPDUSX-LLVKDONJSA-N 1 1 284.350 2.499 20 10 CECDMO C[C@@H](CCO)[N@@H+](C)Cc1c(O)cccc1Br ZINC000862402516 646441786 /nfs/dbraw/zinc/44/17/86/646441786.db2.gz OOPURCZRBXVFNR-VIFPVBQESA-N 1 1 288.185 2.357 20 10 CECDMO Cc1cc(O)c(C[N@H+](C)[C@H]2CCC(=O)N(C)C2)cc1Cl ZINC000862428426 646455790 /nfs/dbraw/zinc/45/57/90/646455790.db2.gz QBVDVKXPMSSFAO-LBPRGKRZSA-N 1 1 296.798 2.407 20 10 CECDMO OC[C@]12CCC[C@H]1C[N@@H+](Cc1cc(F)ccc1O)C2 ZINC000862529062 646485005 /nfs/dbraw/zinc/48/50/05/646485005.db2.gz OTNKFMYXBZGZPG-SWLSCSKDSA-N 1 1 265.328 2.126 20 10 CECDMO COC[C@@]1(C)C[N@H+](Cc2c(O)cccc2Cl)CCO1 ZINC000862551816 646496102 /nfs/dbraw/zinc/49/61/02/646496102.db2.gz PXOPGFTWFVIEBR-CQSZACIVSA-N 1 1 285.771 2.283 20 10 CECDMO COC[C@@]1(C)C[N@@H+](Cc2c(O)cccc2Cl)CCO1 ZINC000862551816 646496107 /nfs/dbraw/zinc/49/61/07/646496107.db2.gz PXOPGFTWFVIEBR-CQSZACIVSA-N 1 1 285.771 2.283 20 10 CECDMO Cc1ccc([C@H](C)[NH2+]CC2(N)CCOCC2)c(O)c1C ZINC000863542536 646751576 /nfs/dbraw/zinc/75/15/76/646751576.db2.gz WJIXGMJTTKXDDB-ZDUSSCGKSA-N 1 1 278.396 2.168 20 10 CECDMO CC[C@@H]([NH2+]CCOCC[NH2+]C)c1cc(Cl)ccc1[O-] ZINC000863544256 646752904 /nfs/dbraw/zinc/75/29/04/646752904.db2.gz OQBNZTRDCPEIHN-CYBMUJFWSA-N 1 1 286.803 2.322 20 10 CECDMO CCN(C)c1ccc(C[N@H+]2CC[C@@H]([C@@H](C)O)C2)cc1 ZINC000773834900 646778692 /nfs/dbraw/zinc/77/86/92/646778692.db2.gz VJPHDZQXKIQPIY-UKRRQHHQSA-N 1 1 262.397 2.345 20 10 CECDMO COc1cc(O)c(C[N@@H+](C)C2CCOCC2)cc1OC ZINC000775658875 646976846 /nfs/dbraw/zinc/97/68/46/646976846.db2.gz RAEWJLMWFAFNEB-UHFFFAOYSA-N 1 1 281.352 2.020 20 10 CECDMO COc1ccc(O)c(C[N@H+]2CCC[C@@H]3COCC[C@H]32)c1 ZINC000775735673 646986142 /nfs/dbraw/zinc/98/61/42/646986142.db2.gz BFMHNYDZRGIPGF-IUODEOHRSA-N 1 1 277.364 2.402 20 10 CECDMO CC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H](C)c1ccccc1O ZINC000868013459 648021323 /nfs/dbraw/zinc/02/13/23/648021323.db2.gz HMCNXQDQEZZNQF-STQMWFEESA-N 1 1 291.395 2.237 20 10 CECDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(C)cc(C)c2O)[C@@H]1C ZINC000787247292 648090421 /nfs/dbraw/zinc/09/04/21/648090421.db2.gz SOBTUBHZQVQKGT-TZMCWYRMSA-N 1 1 277.364 2.392 20 10 CECDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)c(F)c2)[C@@H]1C ZINC000787421824 648107684 /nfs/dbraw/zinc/10/76/84/648107684.db2.gz XFPYCGRKSXQSCV-DGCLKSJQSA-N 1 1 294.370 2.275 20 10 CECDMO CCOc1cccc(C[N@H+]2CC[C@@H](C(=O)OC)[C@@H]2C)c1O ZINC000787420298 648107999 /nfs/dbraw/zinc/10/79/99/648107999.db2.gz GFAYYFAZOWNGHQ-WCQYABFASA-N 1 1 293.363 2.174 20 10 CECDMO CCN(CC)c1ccc(C[N@H+]2C[C@@H](O)C[C@@H]2C)cc1 ZINC000788270932 648168294 /nfs/dbraw/zinc/16/82/94/648168294.db2.gz XHBFETXFRURZQS-BBRMVZONSA-N 1 1 262.397 2.488 20 10 CECDMO Oc1ccc(Cl)c(F)c1C[NH2+]C[C@@H](O)C(F)(F)F ZINC000790953853 648463862 /nfs/dbraw/zinc/46/38/62/648463862.db2.gz GTRJRMJCUIJWCT-MRVPVSSYSA-N 1 1 287.640 2.198 20 10 CECDMO C[C@@H](C[NH2+]Cc1c(O)ccc(Cl)c1F)N(C)C ZINC000790959059 648464773 /nfs/dbraw/zinc/46/47/73/648464773.db2.gz DMQNZNJOQPVELU-QMMMGPOBSA-N 1 1 260.740 2.224 20 10 CECDMO CC(C)=CC[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000790996350 648470142 /nfs/dbraw/zinc/47/01/42/648470142.db2.gz NWBZVSRCAAJEMJ-UHFFFAOYSA-N 1 1 273.424 2.494 20 10 CECDMO CC[N@H+](CCCO)Cc1c(O)ccc(Cl)c1F ZINC000792166884 648618400 /nfs/dbraw/zinc/61/84/00/648618400.db2.gz VDOYGWWNVQFBBW-UHFFFAOYSA-N 1 1 261.724 2.389 20 10 CECDMO CC[N@@H+](CCCO)Cc1c(O)ccc(Cl)c1F ZINC000792166884 648618401 /nfs/dbraw/zinc/61/84/01/648618401.db2.gz VDOYGWWNVQFBBW-UHFFFAOYSA-N 1 1 261.724 2.389 20 10 CECDMO CC[C@@H]1C[N@H+](Cc2c(O)ccc(Cl)c2F)C[C@@H]1O ZINC000792173171 648618860 /nfs/dbraw/zinc/61/88/60/648618860.db2.gz TXCRVBIOMXSEJI-PELKAZGASA-N 1 1 273.735 2.387 20 10 CECDMO CC[C@@H]1C[N@@H+](Cc2c(O)ccc(Cl)c2F)C[C@@H]1O ZINC000792173171 648618863 /nfs/dbraw/zinc/61/88/63/648618863.db2.gz TXCRVBIOMXSEJI-PELKAZGASA-N 1 1 273.735 2.387 20 10 CECDMO Cc1ccc(C[N@@H+](CCO)Cc2cc(F)ccc2O)o1 ZINC000793364300 648746653 /nfs/dbraw/zinc/74/66/53/648746653.db2.gz DKKDFCCPXFIESZ-UHFFFAOYSA-N 1 1 279.311 2.427 20 10 CECDMO COc1cccc(O)c1C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000793619143 648782706 /nfs/dbraw/zinc/78/27/06/648782706.db2.gz FVFZYCZWMOKDMH-INIZCTEOSA-N 1 1 277.364 2.403 20 10 CECDMO Cc1cc(C)c(O)c(C[N@H+]2CCO[C@@]3(CCO[C@H]3C)C2)c1 ZINC000794657572 648899588 /nfs/dbraw/zinc/89/95/88/648899588.db2.gz BGXPSEDQKSTCAO-YOEHRIQHSA-N 1 1 291.391 2.389 20 10 CECDMO CN1CC[N@@H+](Cc2cc(F)ccc2O)Cc2cccnc21 ZINC000872267147 649334535 /nfs/dbraw/zinc/33/45/35/649334535.db2.gz KYGRSSGUYNIGEN-UHFFFAOYSA-N 1 1 287.338 2.378 20 10 CECDMO Oc1c(F)cc(Cl)cc1CN1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873216128 649593416 /nfs/dbraw/zinc/59/34/16/649593416.db2.gz IZQULPGCPNHRLZ-PHIMTYICSA-N 1 1 270.735 2.121 20 10 CECDMO O=C(CC[NH2+]Cc1cc(F)cc(F)c1O)N1CCCCC1 ZINC000882900510 652260289 /nfs/dbraw/zinc/26/02/89/652260289.db2.gz MHZZTRXBDVFIPJ-UHFFFAOYSA-N 1 1 298.333 2.163 20 10 CECDMO O=C(C[NH2+]Cc1cc(F)cc(F)c1O)NC1CCCCC1 ZINC000882992788 652310797 /nfs/dbraw/zinc/31/07/97/652310797.db2.gz OIRUHJQLCBNAQI-UHFFFAOYSA-N 1 1 298.333 2.209 20 10 CECDMO Oc1c(F)cc(F)cc1C[NH2+][C@H]1CCc2n[nH]cc2C1 ZINC000883016330 652325773 /nfs/dbraw/zinc/32/57/73/652325773.db2.gz WHPWUNZKGDNOIN-NSHDSACASA-N 1 1 279.290 2.041 20 10 CECDMO O=C(NCCC[NH2+]Cc1cc(F)cc(F)c1O)C1CCC1 ZINC000883027854 652331813 /nfs/dbraw/zinc/33/18/13/652331813.db2.gz RBGLHSCCASNMDB-UHFFFAOYSA-N 1 1 298.333 2.066 20 10 CECDMO Oc1c(F)cc(F)cc1C[NH2+][C@@H]1CCc2c[nH]nc2C1 ZINC000883040806 652341057 /nfs/dbraw/zinc/34/10/57/652341057.db2.gz OCXUXJGFALMPCD-LLVKDONJSA-N 1 1 279.290 2.041 20 10 CECDMO OCC[C@@H]1CCC[C@H]1[NH2+]Cc1cc(F)cc(F)c1O ZINC000883093624 652362194 /nfs/dbraw/zinc/36/21/94/652362194.db2.gz ASKCYXDRWSJOSD-TVQRCGJNSA-N 1 1 271.307 2.311 20 10 CECDMO C[C@H]1COCC[C@H]1C[NH2+]Cc1cc(F)cc(F)c1O ZINC000883118582 652368375 /nfs/dbraw/zinc/36/83/75/652368375.db2.gz ZUHNRHADHIXMHI-UWVGGRQHSA-N 1 1 271.307 2.433 20 10 CECDMO Oc1cc2c(cc1C[N@H+]1CC[C@@H]([C@@H]3CCCO3)C1)OCO2 ZINC000884483151 652879050 /nfs/dbraw/zinc/87/90/50/652879050.db2.gz ORNFAHDOVGLATM-RISCZKNCSA-N 1 1 291.347 2.122 20 10 CECDMO Cc1noc([C@@H]2CC[N@H+](Cc3cc(F)c(F)cc3O)C2)n1 ZINC001142527219 806620682 /nfs/dbraw/zinc/62/06/82/806620682.db2.gz OSNQHDTZULICMN-SECBINFHSA-N 1 1 295.289 2.351 20 10 CECDMO Cc1noc([C@@H]2CC[N@@H+](Cc3cc(F)c(F)cc3O)C2)n1 ZINC001142527219 806620683 /nfs/dbraw/zinc/62/06/83/806620683.db2.gz OSNQHDTZULICMN-SECBINFHSA-N 1 1 295.289 2.351 20 10 CECDMO COC(=O)C[C@@H]1CCC[N@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001142527332 806620446 /nfs/dbraw/zinc/62/04/46/806620446.db2.gz RQYXTEDIXFWRGG-JTQLQIEISA-N 1 1 299.317 2.446 20 10 CECDMO COC(=O)C[C@@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001142527332 806620451 /nfs/dbraw/zinc/62/04/51/806620451.db2.gz RQYXTEDIXFWRGG-JTQLQIEISA-N 1 1 299.317 2.446 20 10 CECDMO CC[N@H+]1CCN(Cc2cc(F)c(F)cc2O)[C@H](C)C1 ZINC001142534624 806623447 /nfs/dbraw/zinc/62/34/47/806623447.db2.gz QDLNIBISALLLQS-SNVBAGLBSA-N 1 1 270.323 2.196 20 10 CECDMO CC[NH+]1CCC([N@H+](C)Cc2cccc(F)c2[O-])CC1 ZINC000160193144 806859352 /nfs/dbraw/zinc/85/93/52/806859352.db2.gz TVTJIHNBRHDDGS-UHFFFAOYSA-N 1 1 266.360 2.447 20 10 CECDMO CC[NH+]1CCC([N@@H+](C)Cc2cccc(F)c2[O-])CC1 ZINC000160193144 806859358 /nfs/dbraw/zinc/85/93/58/806859358.db2.gz TVTJIHNBRHDDGS-UHFFFAOYSA-N 1 1 266.360 2.447 20 10 CECDMO CC(=O)N1CCC[C@H]([N@@H+](C)Cc2c([O-])cc(F)cc2F)C1 ZINC001140585931 803189027 /nfs/dbraw/zinc/18/90/27/803189027.db2.gz WMBQPMHUSUGZGB-LBPRGKRZSA-N 1 1 298.333 2.113 20 10 CECDMO COc1cccc(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)c1O ZINC000724814558 803302181 /nfs/dbraw/zinc/30/21/81/803302181.db2.gz QYPKVPVOFYLABX-YPMHNXCESA-N 1 1 263.337 2.012 20 10 CECDMO Cc1c(O)ccc(C[N@H+](C)C2CCOCC2)c1O ZINC001140742795 803512835 /nfs/dbraw/zinc/51/28/35/803512835.db2.gz ZLDMBEWLBIQPMU-UHFFFAOYSA-N 1 1 251.326 2.017 20 10 CECDMO CCN(CC)c1ccc(C[N@@H+]2C[C@@H](OC)[C@@H](F)C2)c(O)c1 ZINC001140850748 803583589 /nfs/dbraw/zinc/58/35/89/803583589.db2.gz SHSJJIGCLPULGG-GOEBONIOSA-N 1 1 296.386 2.407 20 10 CECDMO CC[C@H]1COCC[N@H+]1Cc1c(C)cc(OC)cc1O ZINC001236811627 808168880 /nfs/dbraw/zinc/16/88/80/808168880.db2.gz UECJXQDHVCWOMT-LBPRGKRZSA-N 1 1 265.353 2.320 20 10 CECDMO COC[C@@H]1CCC[N@H+]1Cc1cc(OC)cc(OC)c1O ZINC001237675634 808238776 /nfs/dbraw/zinc/23/87/76/808238776.db2.gz ZQPORCDZUNUODR-LBPRGKRZSA-N 1 1 281.352 2.020 20 10 CECDMO CCC[N@H+](CC)CCNCc1ccc(OC)c(OC)c1O ZINC001120030595 815189839 /nfs/dbraw/zinc/18/98/39/815189839.db2.gz DMKXRFJEOXXZAM-UHFFFAOYSA-N 1 1 296.411 2.231 20 10 CECDMO CCC[N@@H+](CC)CCNCc1ccc(OC)c(OC)c1O ZINC001120030595 815189842 /nfs/dbraw/zinc/18/98/42/815189842.db2.gz DMKXRFJEOXXZAM-UHFFFAOYSA-N 1 1 296.411 2.231 20 10 CECDMO C[NH+](Cc1ccc(F)c(F)c1[O-])C[C@H]1CC[N@@H+](C)C1 ZINC000703499994 809653107 /nfs/dbraw/zinc/65/31/07/809653107.db2.gz BCPRRKWTBKFCCV-JTQLQIEISA-N 1 1 270.323 2.054 20 10 CECDMO CO[C@@H]1CC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000707129482 809880642 /nfs/dbraw/zinc/88/06/42/809880642.db2.gz AFORGOOKHAQVNE-SECBINFHSA-N 1 1 286.169 2.375 20 10 CECDMO OC[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)C1CCCC1 ZINC000708390337 809928022 /nfs/dbraw/zinc/92/80/22/809928022.db2.gz OWFQISWIHSFKES-CYBMUJFWSA-N 1 1 271.307 2.311 20 10 CECDMO CC[C@@H](C[C@@H](C)O)[NH2+]Cc1cc(F)cc(F)c1O ZINC000708421428 809929455 /nfs/dbraw/zinc/92/94/55/809929455.db2.gz SJPOLVYRFNTKIA-KCJUWKMLSA-N 1 1 259.296 2.310 20 10 CECDMO Oc1c(F)cc(F)cc1C[NH2+]CC[C@@H](O)C(F)(F)F ZINC000708435267 809931110 /nfs/dbraw/zinc/93/11/10/809931110.db2.gz BYDCNPURDIOYCL-SECBINFHSA-N 1 1 285.212 2.073 20 10 CECDMO Oc1c(F)cc(F)cc1C[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000708516736 809943761 /nfs/dbraw/zinc/94/37/61/809943761.db2.gz KXDXYFNGQSPQJT-DGCLKSJQSA-N 1 1 269.291 2.328 20 10 CECDMO CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(N)cc2)C1 ZINC001120262828 810614991 /nfs/dbraw/zinc/61/49/91/810614991.db2.gz FEIVSFVYAFOGGO-OAHLLOKOSA-N 1 1 289.423 2.397 20 10 CECDMO CN1CCN(c2ccc(C3=C[NH2+]CCC3)cc2)CC1 ZINC001243949281 812598328 /nfs/dbraw/zinc/59/83/28/812598328.db2.gz DYCFVGZCFJRMSQ-UHFFFAOYSA-N 1 1 257.381 2.163 20 10 CECDMO C[C@@H]([NH2+]CCC1(CO)CC1)c1ccc(F)cc1O ZINC000396025486 813555399 /nfs/dbraw/zinc/55/53/99/813555399.db2.gz YFYYDFQPWSLAJH-SNVBAGLBSA-N 1 1 253.317 2.345 20 10 CECDMO COc1ccc(O)c([C@@H](C)[NH2+]Cc2csnn2)c1 ZINC000398279821 813668008 /nfs/dbraw/zinc/66/80/08/813668008.db2.gz KUKLCQSTYALXMA-MRVPVSSYSA-N 1 1 265.338 2.103 20 10 CECDMO C[N@@H+](Cc1ccc(Cl)nc1)Cc1c(O)cc(O)cc1O ZINC001144514743 814098240 /nfs/dbraw/zinc/09/82/40/814098240.db2.gz QLVNKVLQLHTLRR-UHFFFAOYSA-N 1 1 294.738 2.484 20 10 CECDMO C[C@H]1CC[N@H+](Cc2c(O)cccc2F)CC[C@H]1O ZINC001137831680 815690547 /nfs/dbraw/zinc/69/05/47/815690547.db2.gz JVCZKRHVHRANNH-GXFFZTMASA-N 1 1 253.317 2.124 20 10 CECDMO C[C@H]1CC[N@@H+](Cc2c(O)cccc2F)CC[C@H]1O ZINC001137831680 815690552 /nfs/dbraw/zinc/69/05/52/815690552.db2.gz JVCZKRHVHRANNH-GXFFZTMASA-N 1 1 253.317 2.124 20 10 CECDMO Oc1cccc(F)c1C[N@@H+]1CCC[C@](O)(CF)CC1 ZINC001137832038 815690593 /nfs/dbraw/zinc/69/05/93/815690593.db2.gz XXPLGPZQNGGHLP-CQSZACIVSA-N 1 1 271.307 2.218 20 10 CECDMO Oc1cccc(F)c1C[N@H+]1CCC[C@](O)(CF)CC1 ZINC001137832038 815690596 /nfs/dbraw/zinc/69/05/96/815690596.db2.gz XXPLGPZQNGGHLP-CQSZACIVSA-N 1 1 271.307 2.218 20 10 CECDMO C[N@H+](Cc1c(O)cccc1F)[C@H]1CC[C@H](O)CC1 ZINC001137833166 815692511 /nfs/dbraw/zinc/69/25/11/815692511.db2.gz VQUIJKLCNCZVMX-XYPYZODXSA-N 1 1 253.317 2.267 20 10 CECDMO C[N@@H+](Cc1c(O)cccc1F)[C@H]1CC[C@H](O)CC1 ZINC001137833166 815692518 /nfs/dbraw/zinc/69/25/18/815692518.db2.gz VQUIJKLCNCZVMX-XYPYZODXSA-N 1 1 253.317 2.267 20 10 CECDMO C[C@@H]1C[N@@H+](Cc2cccc(F)c2[O-])CC[C@@]1(C)O ZINC001138123807 815730317 /nfs/dbraw/zinc/73/03/17/815730317.db2.gz MTEUBPAKYDLYDT-QMTHXVAHSA-N 1 1 253.317 2.124 20 10 CECDMO C[C@@H]1C[N@H+](Cc2cccc(F)c2O)CC[C@@]1(C)O ZINC001138123807 815730325 /nfs/dbraw/zinc/73/03/25/815730325.db2.gz MTEUBPAKYDLYDT-QMTHXVAHSA-N 1 1 253.317 2.124 20 10 CECDMO C[C@@H]1C[N@@H+](Cc2cccc(F)c2O)CC[C@@]1(C)O ZINC001138123807 815730334 /nfs/dbraw/zinc/73/03/34/815730334.db2.gz MTEUBPAKYDLYDT-QMTHXVAHSA-N 1 1 253.317 2.124 20 10 CECDMO O=C1CCCC2(CC[NH+](Cc3cccc(F)c3O)CC2)N1 ZINC001138124962 815733299 /nfs/dbraw/zinc/73/32/99/815733299.db2.gz FRNLBJBNBNNNLS-UHFFFAOYSA-N 1 1 292.354 2.166 20 10 CECDMO COC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2O)[C@H]1C ZINC001138128369 815733798 /nfs/dbraw/zinc/73/37/98/815733798.db2.gz FUEPEAUBHZRMJO-CMPLNLGQSA-N 1 1 281.327 2.305 20 10 CECDMO COC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2O)[C@H]1C ZINC001138128369 815733805 /nfs/dbraw/zinc/73/38/05/815733805.db2.gz FUEPEAUBHZRMJO-CMPLNLGQSA-N 1 1 281.327 2.305 20 10 CECDMO Cc1c(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3C)c2ccccc2n1C ZINC001138253737 815754603 /nfs/dbraw/zinc/75/46/03/815754603.db2.gz FBUWLYBHTLNMHK-MSOLQXFVSA-N 1 1 299.418 2.002 20 10 CECDMO Cc1c(C[N@@H+]2CCN(C)C(=O)[C@H]2C)c2ccccc2n1C ZINC001138257955 815756201 /nfs/dbraw/zinc/75/62/01/815756201.db2.gz FMQLZAOSQBPPIA-CYBMUJFWSA-N 1 1 285.391 2.149 20 10 CECDMO Cc1c(C[N@H+]2CCN(C)C(=O)[C@H]2C)c2ccccc2n1C ZINC001138257955 815756207 /nfs/dbraw/zinc/75/62/07/815756207.db2.gz FMQLZAOSQBPPIA-CYBMUJFWSA-N 1 1 285.391 2.149 20 10 CECDMO C[C@H]1C[N@H+](Cc2ccc3c(c2)CCCN3C)CCC1=O ZINC001138354503 815773140 /nfs/dbraw/zinc/77/31/40/815773140.db2.gz LXFAOAJFTGSUIS-ZDUSSCGKSA-N 1 1 272.392 2.480 20 10 CECDMO C[C@H]1C[N@@H+](Cc2ccc3c(c2)CCCN3C)CCC1=O ZINC001138354503 815773148 /nfs/dbraw/zinc/77/31/48/815773148.db2.gz LXFAOAJFTGSUIS-ZDUSSCGKSA-N 1 1 272.392 2.480 20 10 CECDMO CN1CCCc2cc(C[N@H+](C)Cc3cnccn3)ccc21 ZINC001138358429 815774703 /nfs/dbraw/zinc/77/47/03/815774703.db2.gz RGFLKCVHYNDWLL-UHFFFAOYSA-N 1 1 282.391 2.491 20 10 CECDMO CN1CCCc2cc(C[N@@H+](C)Cc3cnccn3)ccc21 ZINC001138358429 815774709 /nfs/dbraw/zinc/77/47/09/815774709.db2.gz RGFLKCVHYNDWLL-UHFFFAOYSA-N 1 1 282.391 2.491 20 10 CECDMO C[C@@H]1C[C@H](F)C[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC001138494992 815816504 /nfs/dbraw/zinc/81/65/04/815816504.db2.gz AOIPPCVISLMSNA-HIFRSBDPSA-N 1 1 278.371 2.456 20 10 CECDMO C[N@H+](Cc1c(F)ccc(F)c1[O-])CC1CC[NH+](C)CC1 ZINC001139685055 816081888 /nfs/dbraw/zinc/08/18/88/816081888.db2.gz URFOGAGLOJCFIL-UHFFFAOYSA-N 1 1 284.350 2.444 20 10 CECDMO CNc1nccc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)n1 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290.407 2.459 20 10 CECDMO COc1cccc(O)c1C[N@H+]1CC[C@@H](N2CCCC2)[C@@H]1C ZINC000809724182 632133506 /nfs/dbraw/zinc/13/35/06/632133506.db2.gz GBPSQPZUAYCSQL-DZGCQCFKSA-N 1 1 290.407 2.459 20 10 CECDMO C[NH+](C)[C@H]1CCN(Cc2cc(Cl)cc(F)c2O)C1 ZINC000809739204 632135281 /nfs/dbraw/zinc/13/52/81/632135281.db2.gz BDFJPYGZCKKIHT-NSHDSACASA-N 1 1 272.751 2.321 20 10 CECDMO CCOc1ccc(C[N@@H+](C)[C@H](CO)COC(C)C)c(O)c1 ZINC000809768449 632143070 /nfs/dbraw/zinc/14/30/70/632143070.db2.gz LGUDDADGIPKZMQ-CQSZACIVSA-N 1 1 297.395 2.009 20 10 CECDMO CCOCc1cc(CN[C@@H]2CC[NH2+][C@H](C)C2)ccc1OC ZINC000841062080 632364286 /nfs/dbraw/zinc/36/42/86/632364286.db2.gz SKESUYVWEXOPMS-CZUORRHYSA-N 1 1 292.423 2.462 20 10 CECDMO COc1cc(Cl)cc(CNC2(C)CC[NH2+]CC2)c1O ZINC000841065977 632424156 /nfs/dbraw/zinc/42/41/56/632424156.db2.gz VSAOOLBFGAPBLQ-UHFFFAOYSA-N 1 1 284.787 2.286 20 10 CECDMO COCC[C@H]1COCC[N@H+]1Cc1cc2c(cc1O)CCC2 ZINC000812299371 632505663 /nfs/dbraw/zinc/50/56/63/632505663.db2.gz IREWSVIDIIICRC-INIZCTEOSA-N 1 1 291.391 2.118 20 10 CECDMO CC[C@@H]1C(=O)NCCC[N@@H+]1Cc1ccc(N(C)C)cc1C ZINC000898547338 632532921 /nfs/dbraw/zinc/53/29/21/632532921.db2.gz FVOGRXDLOUVIJO-MRXNPFEDSA-N 1 1 289.423 2.162 20 10 CECDMO C[C@H](NC(=O)[C@H]1CC[N@H+]1C(C)(C)C)c1ccccc1O ZINC000899181402 632726766 /nfs/dbraw/zinc/72/67/66/632726766.db2.gz BREZCXSZXWJQSW-WCQYABFASA-N 1 1 276.380 2.442 20 10 CECDMO COC[C@@H](CC[NH2+]Cc1cc(Cl)c(F)cc1O)OC ZINC000826840065 635858504 /nfs/dbraw/zinc/85/85/04/635858504.db2.gz UVKOXTYRBMGQIB-SNVBAGLBSA-N 1 1 291.750 2.326 20 10 CECDMO CCC[N@H+](CC(=O)OC)Cc1ccc(N(C)C)c(C)c1 ZINC000815020569 632950143 /nfs/dbraw/zinc/95/01/43/632950143.db2.gz DIRCRGTXPGFYBM-UHFFFAOYSA-N 1 1 278.396 2.446 20 10 CECDMO CCC[N@@H+](CC(=O)OC)Cc1ccc(N(C)C)c(C)c1 ZINC000815020569 632950147 /nfs/dbraw/zinc/95/01/47/632950147.db2.gz DIRCRGTXPGFYBM-UHFFFAOYSA-N 1 1 278.396 2.446 20 10 CECDMO Cc1cc(C[N@H+](CCO)[C@@H]2CCO[C@@H]2C)ccc1N(C)C ZINC000815105978 632960438 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C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1cc(F)cc(F)c1[O-] ZINC000817959580 633801174 /nfs/dbraw/zinc/80/11/74/633801174.db2.gz HGEKQLIMBABFBL-JMCQJSRRSA-N 1 1 256.296 2.058 20 10 CECDMO C[C@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cc(Br)ccc1O ZINC000817977858 633821210 /nfs/dbraw/zinc/82/12/10/633821210.db2.gz QTOTUGNFDGUUPP-UVRHIYEWSA-N 1 1 297.196 2.023 20 10 CECDMO CC[C@@H]([NH2+]CC[C@@H]1CC(=O)N(C)C1)c1ccc(F)cc1O ZINC000903213338 635018199 /nfs/dbraw/zinc/01/81/99/635018199.db2.gz MPGSKCBOFPEMEL-BXUZGUMPSA-N 1 1 294.370 2.440 20 10 CECDMO CC[C@H]([NH2+]CC[C@@H]1CC(=O)N(C)C1)c1ccc(F)cc1O ZINC000903213340 635018660 /nfs/dbraw/zinc/01/86/60/635018660.db2.gz MPGSKCBOFPEMEL-RISCZKNCSA-N 1 1 294.370 2.440 20 10 CECDMO C[C@H]([NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)c1c(O)cccc1F ZINC000903283589 635037000 /nfs/dbraw/zinc/03/70/00/635037000.db2.gz LWLPLUSVRSOAAV-KFKJRKHASA-N 1 1 263.312 2.358 20 10 CECDMO Cc1ccc(O)c(C[NH2+]C[C@@H]2CNCCC2(F)F)c1 ZINC000903955543 635389546 /nfs/dbraw/zinc/38/95/46/635389546.db2.gz UZWVTMZRDWGEEQ-LBPRGKRZSA-N 1 1 270.323 2.035 20 10 CECDMO Cc1cc(O)c(C[N@H+](C)CC(=O)NC(C)C)cc1Cl ZINC000824535703 635444720 /nfs/dbraw/zinc/44/47/20/635444720.db2.gz USVYFHWPMBOPKG-UHFFFAOYSA-N 1 1 284.787 2.310 20 10 CECDMO COC[C@](C)(O)CC[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000824559130 635449759 /nfs/dbraw/zinc/44/97/59/635449759.db2.gz HFPNIBOEJYVQIN-CYBMUJFWSA-N 1 1 291.750 2.062 20 10 CECDMO Oc1cc2c(cc1C[N@H+]1CCSC[C@@H]1C1CC1)OCO2 ZINC000824914321 635523611 /nfs/dbraw/zinc/52/36/11/635523611.db2.gz PGVHMJIXSWERQX-GFCCVEGCSA-N 1 1 293.388 2.448 20 10 CECDMO CN1C[C@@H]2C[N@H+](Cc3cc4c(cc3O)CCC4)C[C@]2(C)C1 ZINC000904435629 635630137 /nfs/dbraw/zinc/63/01/37/635630137.db2.gz CHUDANRMYZWROF-AEFFLSMTSA-N 1 1 286.419 2.264 20 10 CECDMO CN1C[C@@H]2C[N@@H+](Cc3cc4c(cc3O)CCC4)C[C@]2(C)C1 ZINC000904435629 635630143 /nfs/dbraw/zinc/63/01/43/635630143.db2.gz CHUDANRMYZWROF-AEFFLSMTSA-N 1 1 286.419 2.264 20 10 CECDMO [O-]c1c(Cl)cccc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420179 635631528 /nfs/dbraw/zinc/63/15/28/635631528.db2.gz FSWRJRVOZOYQPI-CMPLNLGQSA-N 1 1 266.772 2.087 20 10 CECDMO NC1(C[NH2+]Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000904450280 635642179 /nfs/dbraw/zinc/64/21/79/635642179.db2.gz QPURGCITQUAYHA-UHFFFAOYSA-N 1 1 259.397 2.258 20 10 CECDMO CCc1cccc(C[N@H+]2CCC3=C(CCC(=O)N3)C2)c1O ZINC000826791240 635847670 /nfs/dbraw/zinc/84/76/70/635847670.db2.gz UTFGCVHJSWCGRB-UHFFFAOYSA-N 1 1 286.375 2.324 20 10 CECDMO Oc1cccc(Cl)c1C[N@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000826846398 635860749 /nfs/dbraw/zinc/86/07/49/635860749.db2.gz UNNQAZGECMLCIA-LLVKDONJSA-N 1 1 292.770 2.159 20 10 CECDMO CCn1cc(C[NH2+]Cc2cc(Cl)c(C)cc2O)nn1 ZINC000827088042 636209721 /nfs/dbraw/zinc/20/97/21/636209721.db2.gz YYDGNVKFSNWDKM-UHFFFAOYSA-N 1 1 280.759 2.255 20 10 CECDMO O=C1CC[C@@H]2C[N@@H+](Cc3c(O)cccc3Cl)CC[C@H]2N1 ZINC000827133909 636230445 /nfs/dbraw/zinc/23/04/45/636230445.db2.gz XUHDXGXXWROJPD-ZWNOBZJWSA-N 1 1 294.782 2.146 20 10 CECDMO Cc1cc(O)c(C[N@@H+](C)C[C@@H]2COCCO2)c(Cl)c1 ZINC000827139462 636231477 /nfs/dbraw/zinc/23/14/77/636231477.db2.gz BBQMLTPCYMZNSY-LLVKDONJSA-N 1 1 285.771 2.201 20 10 CECDMO COc1c(O)c(C[NH2+][C@H]2[C@@H]3CCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000827480296 636329579 /nfs/dbraw/zinc/32/95/79/636329579.db2.gz AMJIQEABOCKFNB-IAZYJMLFSA-N 1 1 278.308 2.197 20 10 CECDMO C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)c(F)c2)C[C@@]1(C)CO ZINC000827699282 636398322 /nfs/dbraw/zinc/39/83/22/636398322.db2.gz GGMGMJJCNLNUQR-WBMJQRKESA-N 1 1 280.387 2.342 20 10 CECDMO Cc1cc(O)c(C[N@H+]2CCCN(C=O)CC2)c(Cl)c1 ZINC000827867650 636447451 /nfs/dbraw/zinc/44/74/51/636447451.db2.gz LJPABANUTAJCDC-UHFFFAOYSA-N 1 1 282.771 2.018 20 10 CECDMO C[N@@H+](Cc1cc(Cl)c(F)cc1[O-])C1(CO)CC1 ZINC000827903054 636455615 /nfs/dbraw/zinc/45/56/15/636455615.db2.gz AGWCBFIRYFYVFF-UHFFFAOYSA-N 1 1 259.708 2.141 20 10 CECDMO C[N@H+](Cc1cc(Cl)c(F)cc1O)C1(CO)CC1 ZINC000827903054 636455620 /nfs/dbraw/zinc/45/56/20/636455620.db2.gz AGWCBFIRYFYVFF-UHFFFAOYSA-N 1 1 259.708 2.141 20 10 CECDMO C[N@@H+](Cc1cc(Cl)c(F)cc1O)C1(CO)CC1 ZINC000827903054 636455623 /nfs/dbraw/zinc/45/56/23/636455623.db2.gz AGWCBFIRYFYVFF-UHFFFAOYSA-N 1 1 259.708 2.141 20 10 CECDMO C[N@@H+](Cc1cc(Cl)ccc1O)C1(CO)CCOCC1 ZINC000827908857 636457311 /nfs/dbraw/zinc/45/73/11/636457311.db2.gz RDWFSBGHTVDWHK-UHFFFAOYSA-N 1 1 285.771 2.019 20 10 CECDMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C)cc2O)C1 ZINC000876510417 650297148 /nfs/dbraw/zinc/29/71/48/650297148.db2.gz VBZWHWFDHFVGND-CQSZACIVSA-N 1 1 277.364 2.476 20 10 CECDMO Cc1ccc(C[NH+]2CCN(C(=O)C(C)C)CC2)c(O)c1 ZINC000876541403 650314034 /nfs/dbraw/zinc/31/40/34/650314034.db2.gz AYRVIYFTVVMQKK-UHFFFAOYSA-N 1 1 276.380 2.001 20 10 CECDMO COc1ccc(N(CC[NH+]2CCOCC2)CC2CC2)cc1 ZINC000831587748 637379063 /nfs/dbraw/zinc/37/90/63/637379063.db2.gz JXAZVERRWNAVMP-UHFFFAOYSA-N 1 1 290.407 2.244 20 10 CECDMO CCC[N@@H+](Cc1ccccc1O)C[C@]1(OC)CCOC1 ZINC000876654766 650378584 /nfs/dbraw/zinc/37/85/84/650378584.db2.gz OTGMZTOGULIZSF-MRXNPFEDSA-N 1 1 279.380 2.410 20 10 CECDMO Cc1cccc(O)c1C[N@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000876805658 650440542 /nfs/dbraw/zinc/44/05/42/650440542.db2.gz DSHRYPBTZZAKPL-HZPDHXFCSA-N 1 1 277.364 2.080 20 10 CECDMO Cc1ccc(C(=O)NCCCC[N@H+](C)C2CC2)c(O)c1O ZINC000837225326 639134951 /nfs/dbraw/zinc/13/49/51/639134951.db2.gz QFLMNUROBWVNTC-UHFFFAOYSA-N 1 1 292.379 2.010 20 10 CECDMO CCN1CCC([N@@H+](C)Cc2cc(F)ccc2O)CC1 ZINC000226562089 639553511 /nfs/dbraw/zinc/55/35/11/639553511.db2.gz HJJARPRMWBZYOR-UHFFFAOYSA-N 1 1 266.360 2.447 20 10 CECDMO CC(C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000840892047 639574954 /nfs/dbraw/zinc/57/49/54/639574954.db2.gz XKRAPBNOOYUUOR-RKDXNWHRSA-N 1 1 286.322 2.234 20 10 CECDMO Cc1cc(C[NH2+]Cc2ccc(N(C)C)cc2C)nn1C ZINC000840897181 639576781 /nfs/dbraw/zinc/57/67/81/639576781.db2.gz KUTRMJTWRXPZPT-UHFFFAOYSA-N 1 1 272.396 2.393 20 10 CECDMO Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000840938208 639592861 /nfs/dbraw/zinc/59/28/61/639592861.db2.gz LTLUDTHOGDUNBF-CZUORRHYSA-N 1 1 262.397 2.264 20 10 CECDMO CNC(=O)[C@]1(C)CC[N@@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC000840942022 639595468 /nfs/dbraw/zinc/59/54/68/639595468.db2.gz ZVLBPFOGALIIDS-QGZVFWFLSA-N 1 1 289.423 2.019 20 10 CECDMO O=C1CCCN1[C@H]1CCC[N@H+](Cc2ccccc2O)CC1 ZINC000840975010 639607789 /nfs/dbraw/zinc/60/77/89/639607789.db2.gz RYGVJURURYRLMA-HNNXBMFYSA-N 1 1 288.391 2.369 20 10 CECDMO CCN(CC)c1ccc(CN[C@H](C[NH3+])C2CC2)cc1 ZINC000841028093 639621437 /nfs/dbraw/zinc/62/14/37/639621437.db2.gz LNPFCCIIWAVSSC-MRXNPFEDSA-N 1 1 261.413 2.360 20 10 CECDMO CN(C)c1ccc(/C=C/CNC[C@@H]2CCC[NH2+]C2)cc1 ZINC000841033546 639625584 /nfs/dbraw/zinc/62/55/84/639625584.db2.gz UYOFIFLKIOXFNT-WMHVBEDNSA-N 1 1 273.424 2.355 20 10 CECDMO CC1(C)C[NH2+]CC[C@@H]1NCc1ccc2c(c1)CCO2 ZINC000841073155 639644004 /nfs/dbraw/zinc/64/40/04/639644004.db2.gz RCOHOXAJTXBQEF-HNNXBMFYSA-N 1 1 260.381 2.099 20 10 CECDMO C[C@H]([NH2+]CC(C)(C)C(N)=O)c1ccc(Cl)cc1O ZINC000841750838 639858492 /nfs/dbraw/zinc/85/84/92/639858492.db2.gz JLRIDGGOUYIYIO-QMMMGPOBSA-N 1 1 270.760 2.208 20 10 CECDMO CNC(=O)C[C@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841752536 639858753 /nfs/dbraw/zinc/85/87/53/639858753.db2.gz BGLJSQAZIPRVQS-DTWKUNHWSA-N 1 1 270.760 2.221 20 10 CECDMO COC[C@@](C)(O)CC[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841752613 639858861 /nfs/dbraw/zinc/85/88/61/639858861.db2.gz BWFWOTNOLAIFGS-HZMBPMFUSA-N 1 1 287.787 2.484 20 10 CECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2CO[C@H](C)C2)c1 ZINC000842926696 640222478 /nfs/dbraw/zinc/22/24/78/640222478.db2.gz AZPJHMXIDSULDZ-JFGNBEQYSA-N 1 1 279.336 2.007 20 10 CECDMO C[NH2+]C[C@@H]1CCCN1Cc1c(O)ccc(Cl)c1F ZINC000843055241 640257328 /nfs/dbraw/zinc/25/73/28/640257328.db2.gz HKLBQAZFLAPCBQ-VIFPVBQESA-N 1 1 272.751 2.369 20 10 CECDMO C[N@@H+](Cc1cccc(F)c1[O-])C1CCC([NH3+])CC1 ZINC000843055938 640258631 /nfs/dbraw/zinc/25/86/31/640258631.db2.gz SIPLYDMFQRHYBC-UHFFFAOYSA-N 1 1 252.333 2.233 20 10 CECDMO C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000843056807 640258784 /nfs/dbraw/zinc/25/87/84/640258784.db2.gz AICTXFDFMZVADI-BDAKNGLRSA-N 1 1 272.751 2.354 20 10 CECDMO C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cccc(Br)c1[O-] ZINC000843057876 640260277 /nfs/dbraw/zinc/26/02/77/640260277.db2.gz NFFQESDXLDGPEL-ZJUUUORDSA-N 1 1 299.212 2.324 20 10 CECDMO C[C@H]1C[C@@H](C[NH3+])CN1Cc1ccc(N(C)C)c(F)c1 ZINC000843058496 640261897 /nfs/dbraw/zinc/26/18/97/640261897.db2.gz URQCBZFGUSWZJZ-AAEUAGOBSA-N 1 1 265.376 2.061 20 10 CECDMO CN(C)c1ccc(C[N@H+]2C[C@H]3CCC[C@@H](C2)N3)cc1 ZINC000843104991 640282740 /nfs/dbraw/zinc/28/27/40/640282740.db2.gz OLNCERMNJMIUBP-GASCZTMLSA-N 1 1 259.397 2.079 20 10 CECDMO CN(C)c1ccc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)N3)cc1 ZINC000843104991 640282742 /nfs/dbraw/zinc/28/27/42/640282742.db2.gz OLNCERMNJMIUBP-GASCZTMLSA-N 1 1 259.397 2.079 20 10 CECDMO Cc1cccc(O)c1C[NH2+][C@@H]1CCc2cn[nH]c2C1 ZINC000877084398 650565054 /nfs/dbraw/zinc/56/50/54/650565054.db2.gz MOAFOVRQRHZDSC-GFCCVEGCSA-N 1 1 257.337 2.071 20 10 CECDMO C[NH2+]C[C@@H]1C[C@H](F)CN1Cc1cccc(Cl)c1O ZINC000843121722 640289429 /nfs/dbraw/zinc/28/94/29/640289429.db2.gz IQZZEJHFKMNHLX-QWRGUYRKSA-N 1 1 272.751 2.177 20 10 CECDMO CCOc1ccc(CN2CCC[C@]3(CC[NH2+]C3)C2)c(O)c1 ZINC000843124132 640290607 /nfs/dbraw/zinc/29/06/07/640290607.db2.gz VGIWQYQSFGMFGC-QGZVFWFLSA-N 1 1 290.407 2.366 20 10 CECDMO CCOc1ccc(CN2CCC[C@@]3(CC[NH2+]C3)C2)c(O)c1 ZINC000843124130 640290862 /nfs/dbraw/zinc/29/08/62/640290862.db2.gz VGIWQYQSFGMFGC-KRWDZBQOSA-N 1 1 290.407 2.366 20 10 CECDMO CN(C)c1ccc(C[N@H+](C)CC(C)(C)S(C)(=O)=O)cc1 ZINC000155188529 641116277 /nfs/dbraw/zinc/11/62/77/641116277.db2.gz IZYDWDGDDBCJHT-UHFFFAOYSA-N 1 1 298.452 2.008 20 10 CECDMO CN(C)c1ccc(C[N@@H+](C)CC(C)(C)S(C)(=O)=O)cc1 ZINC000155188529 641116282 /nfs/dbraw/zinc/11/62/82/641116282.db2.gz IZYDWDGDDBCJHT-UHFFFAOYSA-N 1 1 298.452 2.008 20 10 CECDMO C[NH+]1CCN(c2ccc(CN3CCC[C@H](F)C3)cc2)CC1 ZINC000846121384 641193337 /nfs/dbraw/zinc/19/33/37/641193337.db2.gz YYZCTDUYBZNJOT-INIZCTEOSA-N 1 1 291.414 2.372 20 10 CECDMO COc1cccc([C@@H](C)[NH2+]C[C@H]2CCCN(C)C2)c1O ZINC000846147745 641201790 /nfs/dbraw/zinc/20/17/90/641201790.db2.gz VIPDQCYIWSDLIL-CHWSQXEVSA-N 1 1 278.396 2.393 20 10 CECDMO COc1cccc([C@@H](C)[NH2+][C@H]2CCc3[nH]cnc3C2)c1O ZINC000846168448 641210242 /nfs/dbraw/zinc/21/02/42/641210242.db2.gz CTWQEYUAUZGJIG-MNOVXSKESA-N 1 1 287.363 2.332 20 10 CECDMO CC[C@H]([NH2+][C@@H](CO)CCF)c1ccc(F)cc1O ZINC000846207529 641222350 /nfs/dbraw/zinc/22/23/50/641222350.db2.gz CRSKRGHODKRBLJ-PWSUYJOCSA-N 1 1 259.296 2.293 20 10 CECDMO CCCN(Cc1ccccc1O)C(=O)CC(F)(F)C[NH3+] ZINC000846671159 641384996 /nfs/dbraw/zinc/38/49/96/641384996.db2.gz ZAFNLGUKWXCPCR-UHFFFAOYSA-N 1 1 286.322 2.115 20 10 CECDMO CCOc1ccc(O)c(CN2CC[C@@H]([NH3+])C[C@H]2C)c1 ZINC000846698517 641400357 /nfs/dbraw/zinc/40/03/57/641400357.db2.gz IHEOOZHPALTUAG-DGCLKSJQSA-N 1 1 264.369 2.103 20 10 CECDMO C[C@@H]1C[C@@H]([NH3+])CCN1Cc1cc(Cl)cc(F)c1O ZINC000846705370 641402884 /nfs/dbraw/zinc/40/28/84/641402884.db2.gz ZEUXJMNSINYTDW-KCJUWKMLSA-N 1 1 272.751 2.496 20 10 CECDMO CNC(=O)CCC[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000846775862 641419712 /nfs/dbraw/zinc/41/97/12/641419712.db2.gz DALIYVUETIXNJO-UHFFFAOYSA-N 1 1 289.423 2.243 20 10 CECDMO C[C@H](C[NH3+])[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000817966585 642184630 /nfs/dbraw/zinc/18/46/30/642184630.db2.gz QNDSMZWLMLDLEB-RNFRBKRXSA-N 1 1 291.164 2.292 20 10 CECDMO CCc1cccc(C[N@H+]2CCC[C@@H](n3ccnn3)C2)c1O ZINC000848917704 642190808 /nfs/dbraw/zinc/19/08/08/642190808.db2.gz JSSQVGNRKIMXCA-OAHLLOKOSA-N 1 1 286.379 2.383 20 10 CECDMO CCc1cccc(C[N@H+]2CC(C)(C)O[C@@H]3COC[C@H]32)c1O ZINC000848918554 642192166 /nfs/dbraw/zinc/19/21/66/642192166.db2.gz DBWOGSDHPZCYQB-HUUCEWRRSA-N 1 1 291.391 2.333 20 10 CECDMO C[C@H](O)C[N@@H+](Cc1cc(Cl)ccc1O)C1CC1 ZINC000848928837 642199260 /nfs/dbraw/zinc/19/92/60/642199260.db2.gz PBTCRSWFHGNEEV-VIFPVBQESA-N 1 1 255.745 2.391 20 10 CECDMO COCCO[C@H]1CCC[N@@H+](Cc2ccc(C)cc2O)C1 ZINC000877502972 650754481 /nfs/dbraw/zinc/75/44/81/650754481.db2.gz XMOQOPVQGCDONC-HNNXBMFYSA-N 1 1 279.380 2.328 20 10 CECDMO Cc1ccc(C[N@H+](C)[C@@H]2CCN(C)C[C@H]2C)c(O)c1 ZINC000877530984 650770542 /nfs/dbraw/zinc/77/05/42/650770542.db2.gz HFDWRDIIQHJVIZ-UKRRQHHQSA-N 1 1 262.397 2.473 20 10 CECDMO C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(F)c(F)c1[O-] ZINC000877531921 650772282 /nfs/dbraw/zinc/77/22/82/650772282.db2.gz RSRUKNMUWJAFHG-MFKMUULPSA-N 1 1 284.350 2.442 20 10 CECDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(F)c(F)c1[O-] ZINC000877531921 650772284 /nfs/dbraw/zinc/77/22/84/650772284.db2.gz RSRUKNMUWJAFHG-MFKMUULPSA-N 1 1 284.350 2.442 20 10 CECDMO C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000877531921 650772287 /nfs/dbraw/zinc/77/22/87/650772287.db2.gz RSRUKNMUWJAFHG-MFKMUULPSA-N 1 1 284.350 2.442 20 10 CECDMO C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000877531921 650772290 /nfs/dbraw/zinc/77/22/90/650772290.db2.gz RSRUKNMUWJAFHG-MFKMUULPSA-N 1 1 284.350 2.442 20 10 CECDMO C[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)c2ncnn21 ZINC000850352248 642677986 /nfs/dbraw/zinc/67/79/86/642677986.db2.gz PQDLKQXWLBSSIU-GWCFXTLKSA-N 1 1 270.336 2.009 20 10 CECDMO CNC(=O)c1ccc(C[N@@H+](C)Cc2ccccc2O)cc1 ZINC000109772789 642925716 /nfs/dbraw/zinc/92/57/16/642925716.db2.gz OFNZSZMIQQUKAC-UHFFFAOYSA-N 1 1 284.359 2.384 20 10 CECDMO COCCN1[C@H](C)C[N@H+](Cc2ccc(C)cc2O)C[C@@H]1C ZINC000877606102 650811506 /nfs/dbraw/zinc/81/15/06/650811506.db2.gz OMHPWIKHROAIJE-GASCZTMLSA-N 1 1 292.423 2.242 20 10 CECDMO COCC[N@H+]1[C@H](C)CN(Cc2ccc(C)cc2O)C[C@@H]1C ZINC000877606102 650811510 /nfs/dbraw/zinc/81/15/10/650811510.db2.gz OMHPWIKHROAIJE-GASCZTMLSA-N 1 1 292.423 2.242 20 10 CECDMO COCC[N@@H+]1[C@H](C)CN(Cc2ccc(C)cc2O)C[C@@H]1C ZINC000877606102 650811523 /nfs/dbraw/zinc/81/15/23/650811523.db2.gz OMHPWIKHROAIJE-GASCZTMLSA-N 1 1 292.423 2.242 20 10 CECDMO C[C@@H]1[C@H]([NH2+]Cc2c(O)ccc(Cl)c2F)CCN1C ZINC000922556533 643126368 /nfs/dbraw/zinc/12/63/68/643126368.db2.gz DMWAQTVLYYERDE-LDYMZIIASA-N 1 1 272.751 2.367 20 10 CECDMO Cc1ccc(C[N@@H+](CCOCCO)C2CCC2)c(O)c1 ZINC000877630136 650822252 /nfs/dbraw/zinc/82/22/52/650822252.db2.gz ZEEBBOWKAOUKDO-UHFFFAOYSA-N 1 1 279.380 2.064 20 10 CECDMO Cc1ccc(O)c(C[N@H+]2C[C@@H](O)[C@H](Oc3ccccc3)C2)c1 ZINC000877665524 650840721 /nfs/dbraw/zinc/84/07/21/650840721.db2.gz AHDZARHQOVLZSL-QZTJIDSGSA-N 1 1 299.370 2.325 20 10 CECDMO Cc1cc(CN[C@H]2C[C@@H]([NH3+])C2(C)C)ccc1N(C)C ZINC000923423618 643704307 /nfs/dbraw/zinc/70/43/07/643704307.db2.gz YBCHCOISJFJVRY-CABCVRRESA-N 1 1 261.413 2.276 20 10 CECDMO CCOc1ccc(C[N@@H+](C)[C@H]2CN3CCC2CC3)c(O)c1 ZINC000877707152 650862865 /nfs/dbraw/zinc/86/28/65/650862865.db2.gz YCYUEBLSMKJVCF-INIZCTEOSA-N 1 1 290.407 2.317 20 10 CECDMO CCOc1ccc(CN(C)[C@H]2C[NH+]3CCC2CC3)c(O)c1 ZINC000877707152 650862869 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C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000126797238 650946543 /nfs/dbraw/zinc/94/65/43/650946543.db2.gz XRVWDFNPFVPVKY-UWVGGRQHSA-N 1 1 254.761 2.215 20 10 CECDMO C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000126797238 650946545 /nfs/dbraw/zinc/94/65/45/650946545.db2.gz XRVWDFNPFVPVKY-UWVGGRQHSA-N 1 1 254.761 2.215 20 10 CECDMO CN(C)c1ccc(C[N@H+]2CCCc3c(cnn3C)C2)cc1 ZINC000839624476 644757848 /nfs/dbraw/zinc/75/78/48/644757848.db2.gz HDNHUSKEPHWRLP-UHFFFAOYSA-N 1 1 284.407 2.435 20 10 CECDMO C[C@H]1[NH2+]CCN(Cc2cccc(Br)c2O)[C@@H]1C ZINC000843056854 644771159 /nfs/dbraw/zinc/77/11/59/644771159.db2.gz AZMBWBPQWOXUGE-NXEZZACHSA-N 1 1 299.212 2.337 20 10 CECDMO COc1cccc(O)c1C[N@@H+](C)Cc1ccncc1 ZINC000757886502 644854023 /nfs/dbraw/zinc/85/40/23/644854023.db2.gz DEDIEPDSQKRVJT-UHFFFAOYSA-N 1 1 258.321 2.428 20 10 CECDMO Cc1cc(O)c(CN2C[C@H]3CCC[C@]3([NH3+])C2)cc1C ZINC000857226760 644859911 /nfs/dbraw/zinc/85/99/11/644859911.db2.gz YWDFBBPBNKHWFB-ZBFHGGJFSA-N 1 1 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CC[C@H]1C[N@@H+](Cc2cc(F)c(N(C)C)cc2F)C[C@@H]1O ZINC000862253782 646383450 /nfs/dbraw/zinc/38/34/50/646383450.db2.gz SNIDHYFQROJIMU-BONVTDFDSA-N 1 1 284.350 2.234 20 10 CECDMO CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC000863481245 646739190 /nfs/dbraw/zinc/73/91/90/646739190.db2.gz DFHWLAUQAUUJII-NWDGAFQWSA-N 1 1 254.761 2.276 20 10 CECDMO CCOc1ccc(C[NH2+][C@@H]2CC[C@H](C)NC2)c(O)c1 ZINC000863484230 646740780 /nfs/dbraw/zinc/74/07/80/646740780.db2.gz IGXFETKMYMSBMT-WCQYABFASA-N 1 1 264.369 2.021 20 10 CECDMO CCN(C)c1ccc(C[N@H+]2C[C@@H](C)O[C@H](COC)C2)cc1 ZINC000773888789 646784602 /nfs/dbraw/zinc/78/46/02/646784602.db2.gz OJMUBHAPMJHAIH-PBHICJAKSA-N 1 1 292.423 2.378 20 10 CECDMO Cc1cc(N(C)C)ccc1CNC(=O)C[N@@H+](C)C1CCC1 ZINC000863876310 646839330 /nfs/dbraw/zinc/83/93/30/646839330.db2.gz UUIRYONKPXSFRU-UHFFFAOYSA-N 1 1 289.423 2.162 20 10 CECDMO COc1c(O)c(C[NH2+]CCOC(C)(C)C)ccc1[N+](=O)[O-] ZINC000774992479 646914733 /nfs/dbraw/zinc/91/47/33/646914733.db2.gz 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COC(=O)[C@@H]1CC[N@@H+](Cc2cc(C)cc(OC)c2O)[C@H]1C ZINC000787243386 648090286 /nfs/dbraw/zinc/09/02/86/648090286.db2.gz WJXUJEUAIYUQSH-WCQYABFASA-N 1 1 293.363 2.093 20 10 CECDMO C[C@H](NC(=O)NC[C@H]1CCC[N@@H+](C)C1)c1ccccc1O ZINC000868367156 648109681 /nfs/dbraw/zinc/10/96/81/648109681.db2.gz GBXPGMGWTPCFKF-QWHCGFSZSA-N 1 1 291.395 2.094 20 10 CECDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@]2(C)CO)c1 ZINC000789558600 648317053 /nfs/dbraw/zinc/31/70/53/648317053.db2.gz ZTYBSLUEPUHDGU-OAHLLOKOSA-N 1 1 265.353 2.138 20 10 CECDMO OC[C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)C1CC1 ZINC000790964864 648463792 /nfs/dbraw/zinc/46/37/92/648463792.db2.gz PAFOYWZKOYZQSX-SNVBAGLBSA-N 1 1 259.708 2.045 20 10 CECDMO C[C@@H](CC[S@@](C)=O)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790976682 648467065 /nfs/dbraw/zinc/46/70/65/648467065.db2.gz LAXOSGXQYXKYGR-DCXZOGHSSA-N 1 1 293.791 2.431 20 10 CECDMO COCCC1(NCc2ccc(N(C)C)cc2)CC[NH2+]CC1 ZINC000873223845 649597912 /nfs/dbraw/zinc/59/79/12/649597912.db2.gz UMQUHSUIBMRUGJ-UHFFFAOYSA-N 1 1 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COc1ccc(O)c(CN2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000277289804 524739674 /nfs/dbraw/zinc/73/96/74/524739674.db2.gz AOEQITXWHDQBDS-CQSZACIVSA-N 1 1 278.396 2.317 20 10 CECDMO C[C@H]1C[C@@H](N2CCCC2)C[N@H+]1Cc1ccccc1O ZINC000289740634 524789851 /nfs/dbraw/zinc/78/98/51/524789851.db2.gz QCYHBWOHOAYDMP-DZGCQCFKSA-N 1 1 260.381 2.451 20 10 CECDMO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1ccccc1O ZINC000289740634 524789859 /nfs/dbraw/zinc/78/98/59/524789859.db2.gz QCYHBWOHOAYDMP-DZGCQCFKSA-N 1 1 260.381 2.451 20 10 CECDMO C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)C[C@]2(CCOC2)O1 ZINC000280254008 524997430 /nfs/dbraw/zinc/99/74/30/524997430.db2.gz LIZAENSJEZJFJV-PBHICJAKSA-N 1 1 290.407 2.132 20 10 CECDMO Cc1cc(O)c(C[N@@H+]2C[C@H](C)O[C@]3(CCOC3)C2)cc1C ZINC000280390749 525319589 /nfs/dbraw/zinc/31/95/89/525319589.db2.gz WWBAUHFHDZTODN-WMLDXEAASA-N 1 1 291.391 2.389 20 10 CECDMO Cc1ccc(O)c(C[N@H+](C)[C@H]2CCN(C)C[C@@H]2C)c1 ZINC000290364735 525338336 /nfs/dbraw/zinc/33/83/36/525338336.db2.gz HBPSFSKQBPYTCX-ZFWWWQNUSA-N 1 1 262.397 2.473 20 10 CECDMO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1O)c1ccc(F)cc1O ZINC000062748449 525553117 /nfs/dbraw/zinc/55/31/17/525553117.db2.gz PAKIPIQDDAGNOZ-BIMULSAOSA-N 1 1 253.317 2.485 20 10 CECDMO COc1cccc(C[N@@H+](C)[C@H]2CCN(C)C[C@H]2C)c1O ZINC000290466437 525915996 /nfs/dbraw/zinc/91/59/96/525915996.db2.gz NGVPPFVBGGCZOK-OCCSQVGLSA-N 1 1 278.396 2.173 20 10 CECDMO COc1cccc(C[N@@H+](C)[C@@H]2CCN(C)C[C@@H]2C)c1O ZINC000290466430 525917418 /nfs/dbraw/zinc/91/74/18/525917418.db2.gz NGVPPFVBGGCZOK-GXTWGEPZSA-N 1 1 278.396 2.173 20 10 CECDMO CN(C)c1ccc(C[N@H+](C)CN2C(=O)CC23CCC3)cc1 ZINC000743352117 575050430 /nfs/dbraw/zinc/05/04/30/575050430.db2.gz ZKDBYFVHADBBJO-UHFFFAOYSA-N 1 1 287.407 2.297 20 10 CECDMO CN(C)c1ccc(C[N@@H+](C)CN2C(=O)CC23CCC3)cc1 ZINC000743352117 575050431 /nfs/dbraw/zinc/05/04/31/575050431.db2.gz ZKDBYFVHADBBJO-UHFFFAOYSA-N 1 1 287.407 2.297 20 10 CECDMO CC[C@@H]1COCC[N@@H+]1Cc1cc(OC)c(OC)cc1O ZINC000160232609 622580776 /nfs/dbraw/zinc/58/07/76/622580776.db2.gz VCKQKQKVFCEYOA-GFCCVEGCSA-N 1 1 281.352 2.020 20 10 CECDMO CC[C@@H]1COCC[N@H+]1Cc1cc(OC)c(OC)cc1O ZINC000160232609 622580778 /nfs/dbraw/zinc/58/07/78/622580778.db2.gz VCKQKQKVFCEYOA-GFCCVEGCSA-N 1 1 281.352 2.020 20 10 CECDMO CCOC[C@H]1CC[N@@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000892180360 624384538 /nfs/dbraw/zinc/38/45/38/624384538.db2.gz OSOHURVJWISUNW-LBPRGKRZSA-N 1 1 295.379 2.268 20 10 CECDMO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H]2CCO)c1O ZINC000312765358 628526772 /nfs/dbraw/zinc/52/67/72/628526772.db2.gz CWBDCUAZWPINSR-CYBMUJFWSA-N 1 1 281.327 2.081 20 10 CECDMO CC[N@H+](CCC(=O)OC)Cc1cc(F)cc(F)c1O ZINC000893969334 629067865 /nfs/dbraw/zinc/06/78/65/629067865.db2.gz LLNIPRKDGBAYOT-UHFFFAOYSA-N 1 1 273.279 2.055 20 10 CECDMO CC[N@@H+](CCC(=O)OC)Cc1cc(F)cc(F)c1O ZINC000893969334 629067869 /nfs/dbraw/zinc/06/78/69/629067869.db2.gz LLNIPRKDGBAYOT-UHFFFAOYSA-N 1 1 273.279 2.055 20 10 CECDMO C[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1cnn(C)n1 ZINC000924869704 629134956 /nfs/dbraw/zinc/13/49/56/629134956.db2.gz IPCNXGJWUFMXMJ-LBPRGKRZSA-N 1 1 285.395 2.048 20 10 CECDMO C[NH+](C)[C@@H](C(=O)NCc1ccccc1O)c1ccccc1 ZINC000748346937 629489434 /nfs/dbraw/zinc/48/94/34/629489434.db2.gz QBLSBEILQQWNTB-MRXNPFEDSA-N 1 1 284.359 2.311 20 10 CECDMO OCC[N@H+](Cc1cc(F)cc(F)c1O)C1CCC1 ZINC000894532932 629516861 /nfs/dbraw/zinc/51/68/61/629516861.db2.gz KTRQUNZIVGESEA-UHFFFAOYSA-N 1 1 257.280 2.017 20 10 CECDMO OCC[N@@H+](Cc1cc(F)cc(F)c1O)C1CCC1 ZINC000894532932 629516864 /nfs/dbraw/zinc/51/68/64/629516864.db2.gz KTRQUNZIVGESEA-UHFFFAOYSA-N 1 1 257.280 2.017 20 10 CECDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(F)cc(F)c2[O-])[C@@H]1C ZINC000894538050 629520829 /nfs/dbraw/zinc/52/08/29/629520829.db2.gz NTZQDSPPHDKDTA-LDYMZIIASA-N 1 1 285.290 2.054 20 10 CECDMO COC(=O)[C@@H]1CC[N@H+](Cc2cc(F)cc(F)c2O)[C@@H]1C ZINC000894538050 629520831 /nfs/dbraw/zinc/52/08/31/629520831.db2.gz NTZQDSPPHDKDTA-LDYMZIIASA-N 1 1 285.290 2.054 20 10 CECDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(F)cc(F)c2O)[C@@H]1C ZINC000894538050 629520833 /nfs/dbraw/zinc/52/08/33/629520833.db2.gz NTZQDSPPHDKDTA-LDYMZIIASA-N 1 1 285.290 2.054 20 10 CECDMO COc1cc(C)cc(C[N@@H+]2CC[C@H](C)[S@](=O)CC2)c1O ZINC000894568008 629537373 /nfs/dbraw/zinc/53/73/73/629537373.db2.gz VAIBMKFWDAWDQT-FKIZINRSSA-N 1 1 297.420 2.052 20 10 CECDMO COc1cc(C)cc(C[N@H+]2CC[C@H](C)[S@](=O)CC2)c1O ZINC000894568008 629537376 /nfs/dbraw/zinc/53/73/76/629537376.db2.gz VAIBMKFWDAWDQT-FKIZINRSSA-N 1 1 297.420 2.052 20 10 CECDMO Cc1nnc([C@@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)[nH]1 ZINC000894772496 629627155 /nfs/dbraw/zinc/62/71/55/629627155.db2.gz LWKRKWHWUFMHFP-SECBINFHSA-N 1 1 277.347 2.169 20 10 CECDMO COc1cc(C[N@H+](C)C[C@H](C)OC)c(O)cc1C ZINC000795748680 629665141 /nfs/dbraw/zinc/66/51/41/629665141.db2.gz DMFKEEOXZSOUSS-NSHDSACASA-N 1 1 253.342 2.176 20 10 CECDMO Cc1nnc([C@H]2CC[N@@H+](Cc3ccc(C)cc3O)C2)[nH]1 ZINC000895012665 629795410 /nfs/dbraw/zinc/79/54/10/629795410.db2.gz TYIUITFQUGJPHO-ZDUSSCGKSA-N 1 1 272.352 2.117 20 10 CECDMO Cc1n[nH]c([C@H]2CC[N@H+](Cc3ccc(C)cc3O)C2)n1 ZINC000895012665 629795413 /nfs/dbraw/zinc/79/54/13/629795413.db2.gz TYIUITFQUGJPHO-ZDUSSCGKSA-N 1 1 272.352 2.117 20 10 CECDMO Cc1n[nH]c([C@H]2CC[N@@H+](Cc3ccc(C)cc3O)C2)n1 ZINC000895012665 629795420 /nfs/dbraw/zinc/79/54/20/629795420.db2.gz TYIUITFQUGJPHO-ZDUSSCGKSA-N 1 1 272.352 2.117 20 10 CECDMO Cc1nc([C@H]2CC[N@H+](Cc3ccc(C)cc3O)C2)n[nH]1 ZINC000895012665 629795426 /nfs/dbraw/zinc/79/54/26/629795426.db2.gz TYIUITFQUGJPHO-ZDUSSCGKSA-N 1 1 272.352 2.117 20 10 CECDMO Cc1nc([C@H]2CC[N@@H+](Cc3ccc(C)cc3O)C2)n[nH]1 ZINC000895012665 629795431 /nfs/dbraw/zinc/79/54/31/629795431.db2.gz TYIUITFQUGJPHO-ZDUSSCGKSA-N 1 1 272.352 2.117 20 10 CECDMO COc1cc(C)cc(C[N@H+]2CCC[C@@H](CO)[C@H]2C)c1O ZINC000895014738 629798462 /nfs/dbraw/zinc/79/84/62/629798462.db2.gz MUKNFLUTXUZYGW-OLZOCXBDSA-N 1 1 279.380 2.302 20 10 CECDMO CC[C@@H]([NH2+]CC[S@](=O)CC)c1ccc(F)cc1O ZINC000796764311 629996153 /nfs/dbraw/zinc/99/61/53/629996153.db2.gz ZDSDTDCLLYPQGE-KZULUSFZSA-N 1 1 273.373 2.341 20 10 CECDMO COc1ccc(O)c(C[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)c1 ZINC000895844966 630368478 /nfs/dbraw/zinc/36/84/78/630368478.db2.gz GGPKRYXAEGYLJA-LRDDRELGSA-N 1 1 277.364 2.402 20 10 CECDMO Cc1ccc(CNCc2cc(N(C)C)cc[nH+]2)c(O)c1 ZINC000896299075 630521442 /nfs/dbraw/zinc/52/14/42/630521442.db2.gz QKWCXBSBXDODKB-UHFFFAOYSA-N 1 1 271.364 2.451 20 10 CECDMO Oc1ccc(Cl)cc1C[N@H+]1CC[C@@H](C2OCCO2)C1 ZINC000896384313 630549091 /nfs/dbraw/zinc/54/90/91/630549091.db2.gz JSDJHEDADRGINU-SNVBAGLBSA-N 1 1 283.755 2.240 20 10 CECDMO C[C@H](CCn1cccn1)[NH2+]Cc1c(O)cccc1F ZINC000896636467 630620371 /nfs/dbraw/zinc/62/03/71/630620371.db2.gz DACOLALCKKZMKP-LLVKDONJSA-N 1 1 263.316 2.296 20 10 CECDMO [O-]c1cccc(F)c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000896636491 630620839 /nfs/dbraw/zinc/62/08/39/630620839.db2.gz DIWKUYKHRASDIA-VXGBXAGGSA-N 1 1 264.344 2.248 20 10 CECDMO Oc1cccc(F)c1C[NH2+][C@@H]1CCC2(C[C@H]1F)OCCO2 ZINC000896639495 630622597 /nfs/dbraw/zinc/62/25/97/630622597.db2.gz FJKIDUALJIWHLN-CHWSQXEVSA-N 1 1 299.317 2.255 20 10 CECDMO CCC[N@H+]1CCC[C@H](C(=O)NCc2c(O)cccc2F)C1 ZINC000928712156 631130746 /nfs/dbraw/zinc/13/07/46/631130746.db2.gz ZUBAIQUHURMOKF-LBPRGKRZSA-N 1 1 294.370 2.270 20 10 CECDMO COc1c(O)c(C[NH2+][C@]23C[C@H]2CCC3)ccc1[N+](=O)[O-] ZINC000897374952 631247361 /nfs/dbraw/zinc/24/73/61/631247361.db2.gz HODBOZWSDGNRHY-QMTHXVAHSA-N 1 1 278.308 2.341 20 10 CECDMO C[N@@H+](CCCCO)Cc1ccc(Br)cc1O ZINC000825667138 635690177 /nfs/dbraw/zinc/69/01/77/635690177.db2.gz UQSBTPIGACLWRP-UHFFFAOYSA-N 1 1 288.185 2.359 20 10 CECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@H](CO)C(C)C)c1 ZINC000806168904 631723190 /nfs/dbraw/zinc/72/31/90/631723190.db2.gz DWQAJQSXXOUADN-YPMHNXCESA-N 1 1 295.379 2.094 20 10 CECDMO CN1CCC[N@H+](Cc2cc(Cl)ccc2O)CC1 ZINC000022865220 651171608 /nfs/dbraw/zinc/17/16/08/651171608.db2.gz QYYLMLCJNUODAR-UHFFFAOYSA-N 1 1 254.761 2.183 20 10 CECDMO CN1CCC[N@@H+](Cc2cc(Cl)ccc2O)CC1 ZINC000022865220 651171610 /nfs/dbraw/zinc/17/16/10/651171610.db2.gz QYYLMLCJNUODAR-UHFFFAOYSA-N 1 1 254.761 2.183 20 10 CECDMO [O-]c1ccc(Br)cc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000841033222 631821697 /nfs/dbraw/zinc/82/16/97/631821697.db2.gz PZSYTOZXTLZNMK-SNVBAGLBSA-N 1 1 299.212 2.244 20 10 CECDMO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@@H](OC(=O)N(C)C)C2)c1 ZINC000840104060 631856431 /nfs/dbraw/zinc/85/64/31/631856431.db2.gz GPXRNFBGPOMSNT-CQSZACIVSA-N 1 1 292.379 2.282 20 10 CECDMO Oc1ccc(Cl)c(F)c1C[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000897819178 631929061 /nfs/dbraw/zinc/92/90/61/631929061.db2.gz XFCCUWWQVQYAOR-SVNXLIQESA-N 1 1 283.730 2.450 20 10 CECDMO CC(C)n1cc(C[NH2+]Cc2ccc3c(c2)CCO3)nn1 ZINC000808384817 631954034 /nfs/dbraw/zinc/95/40/34/631954034.db2.gz FQCZYLMARBJHRW-UHFFFAOYSA-N 1 1 272.352 2.084 20 10 CECDMO Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2cnn(C)n2)c1O ZINC000808719559 632005054 /nfs/dbraw/zinc/00/50/54/632005054.db2.gz WDQNQIBEAFTSCJ-VIFPVBQESA-N 1 1 280.759 2.333 20 10 CECDMO CCCN1CCC[C@H]1C[NH2+]Cc1cccc(F)c1O ZINC000809715551 632132503 /nfs/dbraw/zinc/13/25/03/632132503.db2.gz KJSBGQDVPCXRIP-ZDUSSCGKSA-N 1 1 266.360 2.495 20 10 CECDMO CC(C)[N@H+](C)C[C@H](C)NCc1cc(F)ccc1O ZINC000311036239 632311010 /nfs/dbraw/zinc/31/10/10/632311010.db2.gz FUCXFRDTLRVTRV-NSHDSACASA-N 1 1 254.349 2.350 20 10 CECDMO CC(C)[N@@H+](C)C[C@H](C)NCc1cc(F)ccc1O ZINC000311036239 632311014 /nfs/dbraw/zinc/31/10/14/632311014.db2.gz FUCXFRDTLRVTRV-NSHDSACASA-N 1 1 254.349 2.350 20 10 CECDMO CC[C@@H]([NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1)c1ccc(F)cc1O ZINC000926943670 632378241 /nfs/dbraw/zinc/37/82/41/632378241.db2.gz LNQIYMUPIYTQGZ-FTYZYXLQSA-N 1 1 295.354 2.376 20 10 CECDMO CN(C)c1ccc([C@@H](CNCC2(F)CC2)[NH+](C)C)cc1 ZINC000898451321 632499786 /nfs/dbraw/zinc/49/97/86/632499786.db2.gz XPBQVTSXUYKHGX-OAHLLOKOSA-N 1 1 279.403 2.447 20 10 CECDMO CCOc1ccc(O)c(C[N@H+]2CC[C@@H](O)C2(C)C)c1 ZINC000812779263 632576298 /nfs/dbraw/zinc/57/62/98/632576298.db2.gz KIOLNICRDIKRHM-CQSZACIVSA-N 1 1 265.353 2.136 20 10 CECDMO CC[N@H+](Cc1c(O)cccc1OC)C[C@H](C)OC ZINC000812807703 632587182 /nfs/dbraw/zinc/58/71/82/632587182.db2.gz ICRBTQCTTOEZFR-NSHDSACASA-N 1 1 253.342 2.258 20 10 CECDMO C[N@@H+]1C[C@@H]2CCN(Cc3c(O)ccc(Cl)c3F)[C@@H]2C1 ZINC000814173943 632800552 /nfs/dbraw/zinc/80/05/52/632800552.db2.gz TVURJFXIDPQTCX-JOYOIKCWSA-N 1 1 284.762 2.321 20 10 CECDMO C[N@H+]1C[C@@H]2CCN(Cc3c(O)ccc(Cl)c3F)[C@@H]2C1 ZINC000814173943 632800558 /nfs/dbraw/zinc/80/05/58/632800558.db2.gz TVURJFXIDPQTCX-JOYOIKCWSA-N 1 1 284.762 2.321 20 10 CECDMO CC[S@@](=O)CC[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816550786 633411182 /nfs/dbraw/zinc/41/11/82/633411182.db2.gz CHVYXIHUAPSNEV-QGZVFWFLSA-N 1 1 279.764 2.043 20 10 CECDMO Cc1cc(C[N@H+]2C[C@H](CO)OC(C)(C)C2)ccc1N(C)C ZINC000817278430 633617026 /nfs/dbraw/zinc/61/70/26/633617026.db2.gz AYTHWEQBOKSCIN-OAHLLOKOSA-N 1 1 292.423 2.033 20 10 CECDMO CCOc1ccc(C[N@H+]2C[C@H](C)C[C@@H](CO)C2)c(O)c1 ZINC000817412576 633650860 /nfs/dbraw/zinc/65/08/60/633650860.db2.gz MVWFCQXTLISADQ-CHWSQXEVSA-N 1 1 279.380 2.241 20 10 CECDMO CN(Cc1ccccc1O)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC000901055242 633941216 /nfs/dbraw/zinc/94/12/16/633941216.db2.gz LBVBMYVLINBUME-CABCVRRESA-N 1 1 288.391 2.368 20 10 CECDMO C[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)c1ccc(N(C)C)cc1 ZINC000822081201 634845606 /nfs/dbraw/zinc/84/56/06/634845606.db2.gz CYFGWLNXLQXGMQ-KGLIPLIRSA-N 1 1 289.423 2.272 20 10 CECDMO C[C@@H]([NH2+]C1CC(CCO)C1)c1c(O)cccc1F ZINC000903331282 635078578 /nfs/dbraw/zinc/07/85/78/635078578.db2.gz DEUJAUSWRORWRN-KPPDAEKUSA-N 1 1 253.317 2.343 20 10 CECDMO C[N@H+](Cc1ccccc1O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903886963 635327321 /nfs/dbraw/zinc/32/73/21/635327321.db2.gz WWAWQUZAIDZQDQ-LQDVMPOASA-N 1 1 260.381 2.355 20 10 CECDMO Cc1cc(O)c(C[N@@H+]2C[C@H](C(N)=O)CC[C@H]2C)cc1Cl ZINC000824575866 635455659 /nfs/dbraw/zinc/45/56/59/635455659.db2.gz SMTBUAYEVCWKIP-GHMZBOCLSA-N 1 1 296.798 2.440 20 10 CECDMO CCOc1ccc(C[NH2+]Cc2nnc(C(C)C)[nH]2)c(O)c1 ZINC000824603141 635460968 /nfs/dbraw/zinc/46/09/68/635460968.db2.gz LBMNCPSZJRYBMI-UHFFFAOYSA-N 1 1 290.367 2.322 20 10 CECDMO Cc1ccc(O)c(C[N@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000825124827 635573729 /nfs/dbraw/zinc/57/37/29/635573729.db2.gz ZCNKOGIDLOYJRL-ZWNOBZJWSA-N 1 1 289.297 2.446 20 10 CECDMO C[C@@H]1OCC[C@@H]1[N@@H+](CCO)Cc1cccc(Cl)c1[O-] ZINC000825129687 635575044 /nfs/dbraw/zinc/57/50/44/635575044.db2.gz ATCAKFWQASLBTA-GWCFXTLKSA-N 1 1 285.771 2.017 20 10 CECDMO [NH3+]CC[C@H]1CC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000904405117 635612721 /nfs/dbraw/zinc/61/27/21/635612721.db2.gz DLNNLZDHFOCRPL-JTQLQIEISA-N 1 1 299.212 2.325 20 10 CECDMO Cc1cc(O)c(C[NH2+][C@@H](C)c2ncnn2C)cc1Cl ZINC000825671762 635691495 /nfs/dbraw/zinc/69/14/95/635691495.db2.gz OMQCBMLPWNOUHI-VIFPVBQESA-N 1 1 280.759 2.333 20 10 CECDMO Cc1cc(O)c(C[N@H+]2CC[C@](C)(C(N)=O)C2)cc1Cl ZINC000825752996 635707437 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ZINC000876512662 650297773 /nfs/dbraw/zinc/29/77/73/650297773.db2.gz VPQOKZOXFDEYRT-UHFFFAOYSA-N 1 1 251.326 2.086 20 10 CECDMO CCC[N@@H+](CC(=O)OC)Cc1c(C)cccc1O ZINC000876512662 650297774 /nfs/dbraw/zinc/29/77/74/650297774.db2.gz VPQOKZOXFDEYRT-UHFFFAOYSA-N 1 1 251.326 2.086 20 10 CECDMO CN(C)c1ccc(CN(C)C(=O)C[N@@H+](C)C(C)(C)C)cc1 ZINC000830541059 637098798 /nfs/dbraw/zinc/09/87/98/637098798.db2.gz GTHKDJWQPDBRIG-UHFFFAOYSA-N 1 1 291.439 2.441 20 10 CECDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)C3=CC(=O)CS3)C2)C1 ZINC000832870505 637696948 /nfs/dbraw/zinc/69/69/48/637696948.db2.gz LZGCXRPZIPLMKF-CQSZACIVSA-N 1 1 280.393 2.012 20 10 CECDMO Cc1ccc(C[N@@H+]2CCCN(C(=O)C(C)C)CC2)c(O)c1 ZINC000876623246 650364774 /nfs/dbraw/zinc/36/47/74/650364774.db2.gz DMLUKVWGVSRDOJ-UHFFFAOYSA-N 1 1 290.407 2.391 20 10 CECDMO CCC[N@@H+](CC(=O)N(C)C)Cc1c(C)cccc1O ZINC000876632196 650368212 /nfs/dbraw/zinc/36/82/12/650368212.db2.gz PYJYGGKRZMLGOL-UHFFFAOYSA-N 1 1 264.369 2.001 20 10 CECDMO CC[C@H]([NH2+]CC[C@@](C)(O)COC)c1ccc(F)cc1O ZINC000834844968 637968404 /nfs/dbraw/zinc/96/84/04/637968404.db2.gz WYTMLIQWPBBRFN-DZGCQCFKSA-N 1 1 285.359 2.360 20 10 CECDMO CC[C@H]([NH2+][C@@H](CC)c1ccc(F)cc1O)C(=O)NC ZINC000834915429 637987463 /nfs/dbraw/zinc/98/74/63/637987463.db2.gz YQISNWOQQNCKEA-RYUDHWBXSA-N 1 1 268.332 2.097 20 10 CECDMO CN(C)c1ccc(/C=C/CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cc1 ZINC000835055176 638040546 /nfs/dbraw/zinc/04/05/46/638040546.db2.gz WFFIVMFQOVURJY-PSUYNTKASA-N 1 1 285.435 2.259 20 10 CECDMO CN(C)c1ccc(/C=C/C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC000835055176 638040559 /nfs/dbraw/zinc/04/05/59/638040559.db2.gz WFFIVMFQOVURJY-PSUYNTKASA-N 1 1 285.435 2.259 20 10 CECDMO CCNC(=O)C(C)(C)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000835075779 638049338 /nfs/dbraw/zinc/04/93/38/638049338.db2.gz AZYFMQVDUFVJKY-UHFFFAOYSA-N 1 1 288.750 2.189 20 10 CECDMO CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000876782575 650429199 /nfs/dbraw/zinc/42/91/99/650429199.db2.gz 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CO[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000171130201 639701135 /nfs/dbraw/zinc/70/11/35/639701135.db2.gz GUXYOVFIBNEJFD-HNNXBMFYSA-N 1 1 261.365 2.492 20 10 CECDMO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H](C)[C@H]2CN)c1 ZINC000843051754 640255148 /nfs/dbraw/zinc/25/51/48/640255148.db2.gz LJUHNVOYJRBRIY-SWLSCSKDSA-N 1 1 278.396 2.350 20 10 CECDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@H](C)[C@H]2CN)c1 ZINC000843051754 640255153 /nfs/dbraw/zinc/25/51/53/640255153.db2.gz LJUHNVOYJRBRIY-SWLSCSKDSA-N 1 1 278.396 2.350 20 10 CECDMO CC[C@H]1C[N@@H+](Cc2cccc(F)c2[O-])CC[C@@H]1[NH3+] ZINC000843052741 640256354 /nfs/dbraw/zinc/25/63/54/640256354.db2.gz SHKFXQWVRZXZSE-GWCFXTLKSA-N 1 1 252.333 2.091 20 10 CECDMO CC1(C)C[NH2+]CCN1Cc1c(O)ccc(Cl)c1F ZINC000843054221 640257170 /nfs/dbraw/zinc/25/71/70/640257170.db2.gz GXPVMRYNIXISGJ-UHFFFAOYSA-N 1 1 272.751 2.369 20 10 CECDMO COc1cccc(O)c1CN(C)CC[C@@H]([NH3+])C(C)C ZINC000843056615 640259023 /nfs/dbraw/zinc/25/90/23/640259023.db2.gz SQQYSDDGMNSTKO-CYBMUJFWSA-N 1 1 266.385 2.206 20 10 CECDMO C[C@@H]([NH3+])[C@H]1CCN(Cc2ccc(N(C)C)c(F)c2)C1 ZINC000843058675 640261561 /nfs/dbraw/zinc/26/15/61/640261561.db2.gz VSJXVTDCYSQTPM-YPMHNXCESA-N 1 1 265.376 2.061 20 10 CECDMO C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000843058739 640261832 /nfs/dbraw/zinc/26/18/32/640261832.db2.gz XFIHVOZAOZEKNW-DTWKUNHWSA-N 1 1 299.758 2.123 20 10 CECDMO C[C@@H]1C[NH2+]C[C@H](C)N1Cc1c(O)ccc(Cl)c1F ZINC000843068471 640266628 /nfs/dbraw/zinc/26/66/28/640266628.db2.gz KNYSXDIZUCYTJW-DTORHVGOSA-N 1 1 272.751 2.367 20 10 CECDMO C[C@]1(C[NH3+])CC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000843118049 640287373 /nfs/dbraw/zinc/28/73/73/640287373.db2.gz ZOKWEENAGZRXSI-CYBMUJFWSA-N 1 1 254.761 2.216 20 10 CECDMO [O-]c1c(F)cccc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000843125439 640291561 /nfs/dbraw/zinc/29/15/61/640291561.db2.gz WNVLESYWUYWOOI-STQMWFEESA-N 1 1 278.371 2.353 20 10 CECDMO CCC[N@@H+](Cc1cccc(OC)c1O)[C@H]1CCN(C)C1 ZINC000843423069 640424324 /nfs/dbraw/zinc/42/43/24/640424324.db2.gz VGTYMSCCMLGVKU-AWEZNQCLSA-N 1 1 278.396 2.317 20 10 CECDMO CC[C@@](C)(O)C[N@@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844402931 640709635 /nfs/dbraw/zinc/70/96/35/640709635.db2.gz XDWOJNRSJXYAMT-MRXNPFEDSA-N 1 1 280.412 2.224 20 10 CECDMO CN(C)c1ccc(C[N@@H+]2CC(C)(C)O[C@@H]3COC[C@H]32)cc1 ZINC000844474349 640743134 /nfs/dbraw/zinc/74/31/34/640743134.db2.gz ODUJTTVYNFFXIG-HZPDHXFCSA-N 1 1 290.407 2.131 20 10 CECDMO CN(C)c1ccc(C[N@H+]2CC(C)(C)O[C@@H]3COC[C@H]32)cc1 ZINC000844474349 640743138 /nfs/dbraw/zinc/74/31/38/640743138.db2.gz ODUJTTVYNFFXIG-HZPDHXFCSA-N 1 1 290.407 2.131 20 10 CECDMO COc1cccc([C@H](C)[NH2+][C@H]2CCc3[nH]cnc3C2)c1O ZINC000846168449 641210731 /nfs/dbraw/zinc/21/07/31/641210731.db2.gz CTWQEYUAUZGJIG-QWRGUYRKSA-N 1 1 287.363 2.332 20 10 CECDMO COc1cccc([C@@H](C)[NH2+]Cc2nnc(C(C)C)[nH]2)c1O ZINC000846170273 641211504 /nfs/dbraw/zinc/21/15/04/641211504.db2.gz NFPANZZHBQDHFW-SNVBAGLBSA-N 1 1 290.367 2.493 20 10 CECDMO Oc1c(Br)cccc1C[NH2+]C[C@H](O)C1CC1 ZINC000070883326 641706173 /nfs/dbraw/zinc/70/61/73/641706173.db2.gz AGJZUMFDARREAX-NSHDSACASA-N 1 1 286.169 2.015 20 10 CECDMO CC(C)COC[C@@H](O)C[NH2+][C@H](C)c1ccc(F)cc1O ZINC000185117005 641938594 /nfs/dbraw/zinc/93/85/94/641938594.db2.gz OTZQTMLLTLWDGV-YPMHNXCESA-N 1 1 285.359 2.215 20 10 CECDMO CCc1cccc(C[N@H+]2CCC[C@H]2C(=O)NC2CC2)c1O ZINC000848880622 642168339 /nfs/dbraw/zinc/16/83/39/642168339.db2.gz GMUHZANFMLWFCG-HNNXBMFYSA-N 1 1 288.391 2.198 20 10 CECDMO CCc1cccc(C[N@H+]2CC(=O)N[C@H]3CCCC[C@H]32)c1O ZINC000848886197 642170644 /nfs/dbraw/zinc/17/06/44/642170644.db2.gz UXCHVBCAZLZLEQ-LSDHHAIUSA-N 1 1 288.391 2.198 20 10 CECDMO CCc1cccc(C[N@@H+]2CCc3c[nH]nc3C2)c1O ZINC000848888100 642173256 /nfs/dbraw/zinc/17/32/56/642173256.db2.gz LYERTTRNNVCXOH-UHFFFAOYSA-N 1 1 257.337 2.236 20 10 CECDMO CCc1cccc(C[N@H+]2CCc3c[nH]nc3C2)c1O ZINC000848888100 642173262 /nfs/dbraw/zinc/17/32/62/642173262.db2.gz LYERTTRNNVCXOH-UHFFFAOYSA-N 1 1 257.337 2.236 20 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CCOc1cccc(C[N@H+]2CC[C@@H](N)[C@H](F)CC2)c1O ZINC001206157179 815299250 /nfs/dbraw/zinc/29/92/50/815299250.db2.gz XATYWGWDJQKBJK-CHWSQXEVSA-N 1 1 282.359 2.052 20 10 CECDMO C[N@H+](Cc1ccc(F)c(F)c1[O-])C[C@H]1CCC[NH+](C)C1 ZINC000703483346 809652963 /nfs/dbraw/zinc/65/29/63/809652963.db2.gz QCKJDQCGCBOJRM-NSHDSACASA-N 1 1 284.350 2.444 20 10 CECDMO C[NH+](Cc1ccc(F)c(F)c1[O-])C[C@H]1CCC[N@H+](C)C1 ZINC000703483346 809652966 /nfs/dbraw/zinc/65/29/66/809652966.db2.gz QCKJDQCGCBOJRM-NSHDSACASA-N 1 1 284.350 2.444 20 10 CECDMO C[NH+](Cc1ccc(F)c(F)c1[O-])C[C@H]1CCC[N@@H+](C)C1 ZINC000703483346 809652972 /nfs/dbraw/zinc/65/29/72/809652972.db2.gz QCKJDQCGCBOJRM-NSHDSACASA-N 1 1 284.350 2.444 20 10 CECDMO Cc1nn(C)c(C)c1C[NH2+]Cc1cc(F)cc(F)c1O ZINC000708480373 809927329 /nfs/dbraw/zinc/92/73/29/809927329.db2.gz HHOVSUCRJSDXCV-UHFFFAOYSA-N 1 1 281.306 2.311 20 10 CECDMO CC[C@H](O)CCC[NH2+]Cc1cc(F)cc(F)c1O ZINC000708480858 809928049 /nfs/dbraw/zinc/92/80/49/809928049.db2.gz 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C[C@H]1C[N@H+](Cc2ccc3c(c2)CCCN3C)CCO1 ZINC001138354727 815775252 /nfs/dbraw/zinc/77/52/52/815775252.db2.gz RQLDLJMHKAVVQO-ZDUSSCGKSA-N 1 1 260.381 2.290 20 10 CECDMO C[C@H]1C[N@@H+](Cc2ccc3c(c2)CCCN3C)CCO1 ZINC001138354727 815775255 /nfs/dbraw/zinc/77/52/55/815775255.db2.gz RQLDLJMHKAVVQO-ZDUSSCGKSA-N 1 1 260.381 2.290 20 10 CECDMO COc1cc(CN2CC[C@@H]2C)cc(C[NH+](C)C)c1O ZINC001139256097 815997435 /nfs/dbraw/zinc/99/74/35/815997435.db2.gz SWCMGOPVJFQUDM-NSHDSACASA-N 1 1 264.369 2.057 20 10 CECDMO CN1CCN(c2ccc(C[N@@H+]3CCC[C@H]4C[C@H]43)cc2)CC1 ZINC001139411119 816020160 /nfs/dbraw/zinc/02/01/60/816020160.db2.gz VXVSAAMWXZAJBE-FUHWJXTLSA-N 1 1 285.435 2.423 20 10 CECDMO CN1CCN(c2ccc(C[N@H+]3CCC[C@H]4C[C@H]43)cc2)CC1 ZINC001139411119 816020167 /nfs/dbraw/zinc/02/01/67/816020167.db2.gz VXVSAAMWXZAJBE-FUHWJXTLSA-N 1 1 285.435 2.423 20 10 CECDMO Cc1cc(C[N@H+]2[C@@H](C)CC[C@H]2CO)ccc1N(C)C ZINC001139669714 816075947 /nfs/dbraw/zinc/07/59/47/816075947.db2.gz JCGURJOXCCGHQV-ZFWWWQNUSA-N 1 1 262.397 2.406 20 10 CECDMO C[N@H+]1C[C@H]2CCCN(Cc3cc(F)ccc3O)[C@@H]2C1 ZINC001140055339 816178698 /nfs/dbraw/zinc/17/86/98/816178698.db2.gz SGAUYWLPDVOBDM-BXUZGUMPSA-N 1 1 264.344 2.057 20 10 CECDMO CN1C[C@H]2CCC[N@H+](Cc3cc(F)ccc3O)[C@@H]2C1 ZINC001140055339 816178701 /nfs/dbraw/zinc/17/87/01/816178701.db2.gz SGAUYWLPDVOBDM-BXUZGUMPSA-N 1 1 264.344 2.057 20 10 CECDMO CN1C[C@H]2CCC[N@@H+](Cc3cc(F)ccc3O)[C@@H]2C1 ZINC001140055339 816178705 /nfs/dbraw/zinc/17/87/05/816178705.db2.gz SGAUYWLPDVOBDM-BXUZGUMPSA-N 1 1 264.344 2.057 20 10 CECDMO Oc1ccc(F)cc1C[N@H+]1CCCC2(COC2)C1 ZINC001140063651 816182664 /nfs/dbraw/zinc/18/26/64/816182664.db2.gz UQIYHKKBBQQSGA-UHFFFAOYSA-N 1 1 251.301 2.144 20 10 CECDMO COC(=O)[C@@H]1CCC[N@@H+](Cc2c(C)ccc(C)c2O)C1 ZINC001140178830 816203864 /nfs/dbraw/zinc/20/38/64/816203864.db2.gz ZESGVOLCAYREPQ-CYBMUJFWSA-N 1 1 277.364 2.394 20 10 CECDMO Cc1ccc(C)c(C[N@@H+]2CCn3cncc3C2)c1O ZINC001140181679 816205981 /nfs/dbraw/zinc/20/59/81/816205981.db2.gz 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CCN(CC)c1ccc(CN[C@H](C)C2C[NH2+]C2)cc1 ZINC000817890049 633752692 /nfs/dbraw/zinc/75/26/92/633752692.db2.gz WHKIFQLLQCRDDY-CYBMUJFWSA-N 1 1 261.413 2.230 20 10 CECDMO CN(C)c1ccc([C@@H](N)C[NH2+][C@H]2CCCc3n[nH]cc32)cc1 ZINC000817941813 633789898 /nfs/dbraw/zinc/78/98/98/633789898.db2.gz LBBIIRQQCUUQCN-HOTGVXAUSA-N 1 1 299.422 2.143 20 10 CECDMO C[C@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1ccccn1 ZINC000817942634 633790521 /nfs/dbraw/zinc/79/05/21/633790521.db2.gz QEOAHJROVKVJBC-BBRMVZONSA-N 1 1 284.407 2.498 20 10 CECDMO C[C@H]([NH2+][C@@H]1CNCC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000817968702 633811605 /nfs/dbraw/zinc/81/16/05/633811605.db2.gz WFRCLRFWKARZHN-HEHGZKQESA-N 1 1 261.413 2.401 20 10 CECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CC23CC3)c1 ZINC000818355331 633915383 /nfs/dbraw/zinc/91/53/83/633915383.db2.gz CSTWBCINOIROIB-TVQRCGJNSA-N 1 1 261.321 2.382 20 10 CECDMO Cc1cc(N(C)C)ccc1CN[C@@H]1CCCC[C@H]1[NH3+] ZINC000818431384 633920753 /nfs/dbraw/zinc/92/07/53/633920753.db2.gz KJNIQQSUHMYTST-HZPDHXFCSA-N 1 1 261.413 2.421 20 10 CECDMO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCCC[C@H]1N ZINC000818431384 633920758 /nfs/dbraw/zinc/92/07/58/633920758.db2.gz KJNIQQSUHMYTST-HZPDHXFCSA-N 1 1 261.413 2.421 20 10 CECDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000822504295 634932745 /nfs/dbraw/zinc/93/27/45/634932745.db2.gz RBMQPJHVXJTHPB-KRWDZBQOSA-N 1 1 299.422 2.490 20 10 CECDMO CC[C@H]([NH2+]CCN1CCCOCC1)c1ccc(F)cc1O ZINC000903226544 635014280 /nfs/dbraw/zinc/01/42/80/635014280.db2.gz HDIRNTGVGSUHMJ-HNNXBMFYSA-N 1 1 296.386 2.294 20 10 CECDMO CC[C@H]([NH2+]C1CC(CC(N)=O)C1)c1ccc(F)cc1O ZINC000903252276 635029477 /nfs/dbraw/zinc/02/94/77/635029477.db2.gz BGQXYZVRKDPASG-OCTTZUBCSA-N 1 1 280.343 2.226 20 10 CECDMO C[C@H]([NH2+]CC[C@H](O)C1CC1)c1c(O)cccc1F ZINC000903411053 635104991 /nfs/dbraw/zinc/10/49/91/635104991.db2.gz LMIHQEVMQFWEPR-CABZTGNLSA-N 1 1 253.317 2.343 20 10 CECDMO Oc1cc(Br)ccc1C[N@@H+]1CCC[C@H](O)C1 ZINC000824491013 635435200 /nfs/dbraw/zinc/43/52/00/635435200.db2.gz LDUPVJSPNUNLGJ-NSHDSACASA-N 1 1 286.169 2.111 20 10 CECDMO CCOc1cccc(C[N@H+]2CC[C@@H](CO)[C@@H]2CC)c1O ZINC000824637505 635468206 /nfs/dbraw/zinc/46/82/06/635468206.db2.gz XOCVIVVDBKNGJZ-KBPBESRZSA-N 1 1 279.380 2.384 20 10 CECDMO CN(C)c1ccc(CN2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)cc1F ZINC000824893663 635519140 /nfs/dbraw/zinc/51/91/40/635519140.db2.gz YATVIAASEBJBSD-XJKSGUPXSA-N 1 1 277.387 2.028 20 10 CECDMO C[C@H]1C[N@H+](Cc2c([O-])cccc2Cl)CC[C@H]1C[NH3+] ZINC000904410442 635616810 /nfs/dbraw/zinc/61/68/10/635616810.db2.gz DLRKRPJVPQUTQV-QWRGUYRKSA-N 1 1 268.788 2.462 20 10 CECDMO C[C@H]1C[N@@H+](Cc2c([O-])cccc2Cl)CC[C@H]1C[NH3+] ZINC000904410442 635616813 /nfs/dbraw/zinc/61/68/13/635616813.db2.gz DLRKRPJVPQUTQV-QWRGUYRKSA-N 1 1 268.788 2.462 20 10 CECDMO Cc1cc(O)c(C[N@H+]2C[C@@H]3C[C@]3(CO)C2)cc1Cl ZINC000825628558 635679170 /nfs/dbraw/zinc/67/91/70/635679170.db2.gz ALRWYEDBAAYELL-SMDDNHRTSA-N 1 1 267.756 2.168 20 10 CECDMO COc1cccc(O)c1C[N@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000826878329 635869686 /nfs/dbraw/zinc/86/96/86/635869686.db2.gz WYTHGTHTNOLESP-MRXNPFEDSA-N 1 1 277.364 2.402 20 10 CECDMO [O-]c1c(Cl)cccc1C[N@H+](CCOCCO)C1CCC1 ZINC000827204375 636255657 /nfs/dbraw/zinc/25/56/57/636255657.db2.gz SRVGASLYEXMSPU-UHFFFAOYSA-N 1 1 299.798 2.409 20 10 CECDMO CN(C)c1ccc(C[N@H+]2C[C@H]3COC[C@]3(C)C2)cc1F ZINC000827279934 636278710 /nfs/dbraw/zinc/27/87/10/636278710.db2.gz CAHGDDRLCWWXEV-BBRMVZONSA-N 1 1 278.371 2.360 20 10 CECDMO CN(C)c1ccc(C[N@@H+](C[C@@H]2COCCO2)C2CC2)cc1 ZINC000827443201 636322375 /nfs/dbraw/zinc/32/23/75/636322375.db2.gz ZGYLIIJRJAXRDR-QGZVFWFLSA-N 1 1 290.407 2.132 20 10 CECDMO Cc1ccc(O)c(CN2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC000827857250 636443053 /nfs/dbraw/zinc/44/30/53/636443053.db2.gz ZQTAUMAJVBSAOU-INIZCTEOSA-N 1 1 292.423 2.243 20 10 CECDMO Cc1cc(O)c(C[N@H+](C)C2(CO)CC2)cc1Cl ZINC000827897889 636453853 /nfs/dbraw/zinc/45/38/53/636453853.db2.gz AUEAAFCPEZJBQB-UHFFFAOYSA-N 1 1 255.745 2.311 20 10 CECDMO [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2c([O-])cccc2Cl)C1 ZINC000841084974 637257361 /nfs/dbraw/zinc/25/73/61/637257361.db2.gz RCQLMGGVADRJTK-VHSXEESVSA-N 1 1 254.761 2.263 20 10 CECDMO [NH3+]C[C@@H](NCc1ccc2c(c1)CCO2)C1CCCC1 ZINC000841087866 637573450 /nfs/dbraw/zinc/57/34/50/637573450.db2.gz RBUVSECGWLFREE-OAHLLOKOSA-N 1 1 260.381 2.229 20 10 CECDMO Cc1cccc(O)c1C[NH+]1CCN(CC2CC2)CC1 ZINC000876611041 650358759 /nfs/dbraw/zinc/35/87/59/650358759.db2.gz PIMGGQSGRXFHOW-UHFFFAOYSA-N 1 1 260.381 2.228 20 10 CECDMO CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000834880641 637976800 /nfs/dbraw/zinc/97/68/00/637976800.db2.gz MHNYGWNRXHRSBA-FIXISWKDSA-N 1 1 283.343 2.233 20 10 CECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H]2COCC2(C)C)c1 ZINC000834903397 637982937 /nfs/dbraw/zinc/98/29/37/637982937.db2.gz JCPCCSHBBNFXJB-QMTHXVAHSA-N 1 1 293.363 2.254 20 10 CECDMO CN(C)c1ccc(/C=C/C[N@@H+]2CCCC[C@@H]2C(N)=O)cc1 ZINC000835025338 638028795 /nfs/dbraw/zinc/02/87/95/638028795.db2.gz IFEPDFICNVNFII-SQRWCISFSA-N 1 1 287.407 2.106 20 10 CECDMO CN(C)c1ccc(/C=C/C[N@H+]2CCCC[C@@H]2C(N)=O)cc1 ZINC000835025338 638028800 /nfs/dbraw/zinc/02/88/00/638028800.db2.gz IFEPDFICNVNFII-SQRWCISFSA-N 1 1 287.407 2.106 20 10 CECDMO CNC(=O)[C@@H](C)C[N@@H+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835027948 638030325 /nfs/dbraw/zinc/03/03/25/638030325.db2.gz FJVGKZOXCUJNRZ-UZYOAWRESA-N 1 1 289.423 2.080 20 10 CECDMO CN(C)c1ccc(/C=C/C[N@H+]2CCC[C@H]2CO)cc1 ZINC000835026743 638030631 /nfs/dbraw/zinc/03/06/31/638030631.db2.gz GGMQKPSERGFSKN-WMHVBEDNSA-N 1 1 260.381 2.223 20 10 CECDMO C[C@@H]([NH2+]C/C=C/c1ccc(N(C)C)cc1)c1nncn1C ZINC000835037768 638034209 /nfs/dbraw/zinc/03/42/09/638034209.db2.gz MRDRCMGANOSPPF-URWSZGRFSA-N 1 1 285.395 2.245 20 10 CECDMO CN(C)c1ccc(/C=C/C[N@@H+](C)CCCCO)cc1 ZINC000835049495 638038362 /nfs/dbraw/zinc/03/83/62/638038362.db2.gz GKHOCWVJUGSHGA-VOTSOKGWSA-N 1 1 262.397 2.470 20 10 CECDMO Cc1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CNC(=O)C2)c(O)c1 ZINC000876817880 650444870 /nfs/dbraw/zinc/44/48/70/650444870.db2.gz OHKSANDOZZQWKN-CABCVRRESA-N 1 1 288.391 2.191 20 10 CECDMO Oc1cc2c(cc1C[N@H+]1CC[C@@]3(CCOC3)C1)CCC2 ZINC000151286054 639257805 /nfs/dbraw/zinc/25/78/05/639257805.db2.gz NZHOEXRERRIMKG-QGZVFWFLSA-N 1 1 273.376 2.493 20 10 CECDMO COc1ccc(C[NH2+]C[C@@H]2CCCN(C)C2)cc1C ZINC000044532841 639321864 /nfs/dbraw/zinc/32/18/64/639321864.db2.gz AXUOEEIGMCPPKP-HNNXBMFYSA-N 1 1 262.397 2.435 20 10 CECDMO COc1ccc(CNC[C@@H]2CCC[N@H+](C)C2)cc1C ZINC000044532841 639321868 /nfs/dbraw/zinc/32/18/68/639321868.db2.gz AXUOEEIGMCPPKP-HNNXBMFYSA-N 1 1 262.397 2.435 20 10 CECDMO COc1ccc(CNC[C@@H]2CCC[N@@H+](C)C2)cc1C ZINC000044532841 639321871 /nfs/dbraw/zinc/32/18/71/639321871.db2.gz AXUOEEIGMCPPKP-HNNXBMFYSA-N 1 1 262.397 2.435 20 10 CECDMO CCC(=O)N1CCC[N@@H+](Cc2cc(C)cc(C)c2O)CC1 ZINC000164235017 639356075 /nfs/dbraw/zinc/35/60/75/639356075.db2.gz GYUNYXFSTMVXQI-UHFFFAOYSA-N 1 1 290.407 2.453 20 10 CECDMO Cc1cc(N(C)C)ccc1C[N@H+](C)Cc1cc[nH]n1 ZINC000840918082 639586124 /nfs/dbraw/zinc/58/61/24/639586124.db2.gz QIRGHVFKZRTZKP-UHFFFAOYSA-N 1 1 258.369 2.416 20 10 CECDMO Cc1cc(N(C)C)ccc1C[N@@H+](C)Cc1cc[nH]n1 ZINC000840918082 639586127 /nfs/dbraw/zinc/58/61/27/639586127.db2.gz QIRGHVFKZRTZKP-UHFFFAOYSA-N 1 1 258.369 2.416 20 10 CECDMO C[N@H+]1CCC[C@H]2CN(C(=O)Nc3ccc(N)cc3)CC[C@H]21 ZINC000227341279 639586291 /nfs/dbraw/zinc/58/62/91/639586291.db2.gz SHQWCRYRQKEMHE-SWLSCSKDSA-N 1 1 288.395 2.217 20 10 CECDMO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCc2cn[nH]c2C1 ZINC000840935062 639591157 /nfs/dbraw/zinc/59/11/57/639591157.db2.gz CZAJNFVUYURDHR-OAHLLOKOSA-N 1 1 284.407 2.431 20 10 CECDMO CCOCCOC1C[NH+](Cc2ccc(N(C)C)cc2C)C1 ZINC000840937661 639592750 /nfs/dbraw/zinc/59/27/50/639592750.db2.gz VSKLMEPGSSTYQD-UHFFFAOYSA-N 1 1 292.423 2.298 20 10 CECDMO CC[C@@]1(O)CC[N@@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC000840939490 639594085 /nfs/dbraw/zinc/59/40/85/639594085.db2.gz NZNFYMAWSUIIOF-MRXNPFEDSA-N 1 1 262.397 2.408 20 10 CECDMO Cc1cc(N(C)C)ccc1C[N@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC000840941073 639594358 /nfs/dbraw/zinc/59/43/58/639594358.db2.gz QQXHXPIWFFUJQB-IYBDPMFKSA-N 1 1 273.424 2.054 20 10 CECDMO Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC000840941073 639594364 /nfs/dbraw/zinc/59/43/64/639594364.db2.gz QQXHXPIWFFUJQB-IYBDPMFKSA-N 1 1 273.424 2.054 20 10 CECDMO Cc1cc(N(C)C)ccc1CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000840941073 639594370 /nfs/dbraw/zinc/59/43/70/639594370.db2.gz QQXHXPIWFFUJQB-IYBDPMFKSA-N 1 1 273.424 2.054 20 10 CECDMO Cc1cc(N(C)C)ccc1CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000840941073 639594377 /nfs/dbraw/zinc/59/43/77/639594377.db2.gz QQXHXPIWFFUJQB-IYBDPMFKSA-N 1 1 273.424 2.054 20 10 CECDMO COCC[N@H+](CCN(C)C)Cc1ccc(N(C)C)cc1C ZINC000840949108 639598115 /nfs/dbraw/zinc/59/81/15/639598115.db2.gz QSCXUDDYGPWIOO-UHFFFAOYSA-N 1 1 293.455 2.071 20 10 CECDMO COCC[N@@H+](CCN(C)C)Cc1ccc(N(C)C)cc1C ZINC000840949108 639598118 /nfs/dbraw/zinc/59/81/18/639598118.db2.gz QSCXUDDYGPWIOO-UHFFFAOYSA-N 1 1 293.455 2.071 20 10 CECDMO Cc1cc(N(C)C)ccc1C[N@@H+](C)C[C@@H](O)C1CC1 ZINC000840949011 639598212 /nfs/dbraw/zinc/59/82/12/639598212.db2.gz NWOKUHRIBFVDJP-MRXNPFEDSA-N 1 1 262.397 2.264 20 10 CECDMO COc1ccc(O)c(CNCC2([NH3+])CCCCC2)c1 ZINC000841039285 639629547 /nfs/dbraw/zinc/62/95/47/639629547.db2.gz ISYYBDQVBUUFKW-UHFFFAOYSA-N 1 1 264.369 2.152 20 10 CECDMO [NH3+]C1(CNCc2cc3c(cc2O)OCO3)CCCCCC1 ZINC000841041047 639629894 /nfs/dbraw/zinc/62/98/94/639629894.db2.gz BCENAJOELVPVNV-UHFFFAOYSA-N 1 1 292.379 2.262 20 10 CECDMO Cc1cc(Br)cc(CNC[C@@H]([NH3+])C2CC2)c1O ZINC000841049736 639632497 /nfs/dbraw/zinc/63/24/97/639632497.db2.gz NISHUAAWRXSJAQ-GFCCVEGCSA-N 1 1 299.212 2.290 20 10 CECDMO COc1cc(Cl)cc(CN[C@H]2CC[NH2+][C@@H](C)C2)c1O ZINC000841061225 639637249 /nfs/dbraw/zinc/63/72/49/639637249.db2.gz HCBSJSHTXICCGT-CABZTGNLSA-N 1 1 284.787 2.284 20 10 CECDMO CCOc1cccc(CN[C@H]2CC[NH2+][C@H](C)C2)c1O ZINC000841062941 639638284 /nfs/dbraw/zinc/63/82/84/639638284.db2.gz ZNDKBKOEUSIGMF-YPMHNXCESA-N 1 1 264.369 2.021 20 10 CECDMO CCN(CC)c1ccc(C[NH2+][C@@H](C)CN)cc1F ZINC000841063517 639639746 /nfs/dbraw/zinc/63/97/46/639639746.db2.gz KZVFTFQMVQWQRF-NSHDSACASA-N 1 1 253.365 2.109 20 10 CECDMO COc1cccc(O)c1CNC[C@H]1[NH2+]CCc2ccccc21 ZINC000841068638 639642111 /nfs/dbraw/zinc/64/21/11/639642111.db2.gz FREPNCBLFZSBHM-MRXNPFEDSA-N 1 1 298.386 2.377 20 10 CECDMO CC1(C)[NH2+]CC[C@H]1NCc1cc(Cl)cc(F)c1O ZINC000841085581 639651515 /nfs/dbraw/zinc/65/15/15/639651515.db2.gz HNUAQTUOUOOWKH-LLVKDONJSA-N 1 1 272.751 2.415 20 10 CECDMO CC1(C)[NH2+]CC[C@H]1[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000841086082 639652168 /nfs/dbraw/zinc/65/21/68/639652168.db2.gz LXUCNVPMAXSDPQ-LLVKDONJSA-N 1 1 299.758 2.184 20 10 CECDMO C[C@@H]1CCN(Cc2ccc(N(C)C)c(F)c2)C[C@H]1C[NH3+] ZINC000841101392 639664320 /nfs/dbraw/zinc/66/43/20/639664320.db2.gz VSBSIARERROASK-TZMCWYRMSA-N 1 1 279.403 2.308 20 10 CECDMO COC[C@@H](O)CC[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841748151 639856778 /nfs/dbraw/zinc/85/67/78/639856778.db2.gz HQHOYUNUGQBVMP-KOLCDFICSA-N 1 1 273.760 2.094 20 10 CECDMO C[N@@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CC[NH2+]CC1 ZINC000843044214 640249976 /nfs/dbraw/zinc/24/99/76/640249976.db2.gz AJMXXDCBZVHVNB-UHFFFAOYSA-N 1 1 299.758 2.138 20 10 CECDMO CN(C)c1ccc(/C=C\CN(C)C2CC[NH2+]CC2)cc1 ZINC000843046415 640251100 /nfs/dbraw/zinc/25/11/00/640251100.db2.gz VFZILBKEXKSXLO-PLNGDYQASA-N 1 1 273.424 2.450 20 10 CECDMO C[C@@H]1C[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC[C@H]1[NH3+] ZINC000843053029 640256277 /nfs/dbraw/zinc/25/62/77/640256277.db2.gz XXVOGGGRBZAOAD-LDYMZIIASA-N 1 1 299.758 2.123 20 10 CECDMO C[C@@H]1C[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC[C@H]1[NH3+] ZINC000843053029 640256282 /nfs/dbraw/zinc/25/62/82/640256282.db2.gz XXVOGGGRBZAOAD-LDYMZIIASA-N 1 1 299.758 2.123 20 10 CECDMO C[NH2+]C[C@@H]1CCN(Cc2cc(Cl)cc(F)c2O)C1 ZINC000843053337 640256588 /nfs/dbraw/zinc/25/65/88/640256588.db2.gz WTYPWLUYNCKSOU-VIFPVBQESA-N 1 1 272.751 2.226 20 10 CECDMO C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000843058523 640261935 /nfs/dbraw/zinc/26/19/35/640261935.db2.gz VBMSODVKMFUOCS-ZJUUUORDSA-N 1 1 254.761 2.215 20 10 CECDMO Oc1ccc(Cl)c(F)c1CN1CC[C@]2(CC[NH2+]C2)C1 ZINC000843120486 640288914 /nfs/dbraw/zinc/28/89/14/640288914.db2.gz NFUPXUPRHYIERC-AWEZNQCLSA-N 1 1 284.762 2.370 20 10 CECDMO COc1cccc([O-])c1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843125191 640292248 /nfs/dbraw/zinc/29/22/48/640292248.db2.gz NRLQZEAPUYUNBL-ZIAGYGMSSA-N 1 1 290.407 2.222 20 10 CECDMO COc1cccc([O-])c1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843125191 640292250 /nfs/dbraw/zinc/29/22/50/640292250.db2.gz NRLQZEAPUYUNBL-ZIAGYGMSSA-N 1 1 290.407 2.222 20 10 CECDMO C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cc(Br)ccc1[O-] ZINC000843130024 640296316 /nfs/dbraw/zinc/29/63/16/640296316.db2.gz WQZBNPNPYYFOEL-DTWKUNHWSA-N 1 1 287.201 2.370 20 10 CECDMO CC(C)(C)N1CC[C@H]([NH2+]Cc2cccc(F)c2O)C1=O ZINC000843415264 640420879 /nfs/dbraw/zinc/42/08/79/640420879.db2.gz HNVHBKPJNPUZAC-LBPRGKRZSA-N 1 1 280.343 2.020 20 10 CECDMO CC[N@H+]1CC[C@H](N(C)C(=O)Cc2ccc(N)cc2)C[C@H]1C ZINC000844184971 640625503 /nfs/dbraw/zinc/62/55/03/640625503.db2.gz BAFKKNMDHLRLBX-CJNGLKHVSA-N 1 1 289.423 2.143 20 10 CECDMO Cc1ccc(C[N@H+]2CCCC3(C2)OCCO3)c(O)c1 ZINC000877171867 650609587 /nfs/dbraw/zinc/60/95/87/650609587.db2.gz GTQTXXDMMSDSLS-UHFFFAOYSA-N 1 1 263.337 2.040 20 10 CECDMO Cc1cc(N(C)C)ccc1C[N@H+](C)[C@H](C)CCO ZINC000846111025 641185668 /nfs/dbraw/zinc/18/56/68/641185668.db2.gz MBXRTAYWFQGFGZ-CYBMUJFWSA-N 1 1 250.386 2.264 20 10 CECDMO COc1cccc([C@H](C)[NH2+]C[C@H](C)CN(C)C)c1O ZINC000846170246 641211194 /nfs/dbraw/zinc/21/11/94/641211194.db2.gz MVPDPCQLGCXWCC-RYUDHWBXSA-N 1 1 266.385 2.249 20 10 CECDMO Cc1cccc(C[N@H+]2CCC[C@@H](CCC(N)=O)C2)c1O ZINC000179905088 641393031 /nfs/dbraw/zinc/39/30/31/641393031.db2.gz DRODICFFAYYELT-ZDUSSCGKSA-N 1 1 276.380 2.178 20 10 CECDMO C[C@H]1C[C@H]([NH3+])CCN1Cc1cc(Cl)cc(F)c1O ZINC000846705368 641403320 /nfs/dbraw/zinc/40/33/20/641403320.db2.gz ZEUXJMNSINYTDW-GZMMTYOYSA-N 1 1 272.751 2.496 20 10 CECDMO COCC1(C[NH2+][C@H](C)c2cc(C(=O)OC)ccc2O)CC1 ZINC000848560222 642053169 /nfs/dbraw/zinc/05/31/69/642053169.db2.gz AUDGMJXFSBDGHQ-LLVKDONJSA-N 1 1 293.363 2.256 20 10 CECDMO C[C@H]([NH2+]C[C@@H]1CN(C2CC2)C(=O)O1)c1ccc(F)cc1O ZINC000848569129 642058381 /nfs/dbraw/zinc/05/83/81/642058381.db2.gz CDTHTLSARJDQON-JOYOIKCWSA-N 1 1 294.326 2.165 20 10 CECDMO CC[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1cccc(Cl)c1[O-] ZINC000817945340 642182644 /nfs/dbraw/zinc/18/26/44/642182644.db2.gz ZTPKLTVXYOYTIB-SKDRFNHKSA-N 1 1 254.761 2.448 20 10 CECDMO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1ccc(C)cc1O ZINC000877464724 650731860 /nfs/dbraw/zinc/73/18/60/650731860.db2.gz LPANPSLEPIQSPX-NOLJZWGESA-N 1 1 289.375 2.474 20 10 CECDMO CC(C)NC(=[NH2+])NCc1cccc(Br)c1O ZINC000849023080 642236702 /nfs/dbraw/zinc/23/67/02/642236702.db2.gz KDSJTVPJDJEMTL-UHFFFAOYSA-N 1 1 286.173 2.177 20 10 CECDMO CO[C@@H](C)C[N@@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877522108 650764663 /nfs/dbraw/zinc/76/46/63/650764663.db2.gz APIXZHNYUATRME-AWEZNQCLSA-N 1 1 292.423 2.114 20 10 CECDMO CC[C@@H]1C[N@@H+](Cc2c(C)cccc2O)C[C@@H](C)[S@@]1=O ZINC000877519688 650763177 /nfs/dbraw/zinc/76/31/77/650763177.db2.gz ZLLGIPMCTITWMW-VPZZIHKRSA-N 1 1 281.421 2.432 20 10 CECDMO C[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)c2ncnn21 ZINC000850352250 642677480 /nfs/dbraw/zinc/67/74/80/642677480.db2.gz PQDLKQXWLBSSIU-MFKMUULPSA-N 1 1 270.336 2.009 20 10 CECDMO COc1cccc([C@H](C)[NH2+][C@@H]2C[C@H](C)n3ncnc32)c1O ZINC000850499455 642733122 /nfs/dbraw/zinc/73/31/22/642733122.db2.gz PYBYDRZKWWWHLW-JBLDHEPKSA-N 1 1 288.351 2.349 20 10 CECDMO CCn1cc(C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)nn1 ZINC000850522522 642739209 /nfs/dbraw/zinc/73/92/09/642739209.db2.gz SUEQVYRHWVLSIX-SKDRFNHKSA-N 1 1 290.342 2.481 20 10 CECDMO CCN(CC)c1ccc(C[N@@H+](C)C[C@H]2CNC(=O)C2)cc1 ZINC000851717008 643123691 /nfs/dbraw/zinc/12/36/91/643123691.db2.gz UCCDQHWSUBWZOF-OAHLLOKOSA-N 1 1 289.423 2.101 20 10 CECDMO C[C@@H]1[C@@H](NCc2cc(F)c(N(C)C)cc2F)CC[N@@H+]1C ZINC000922554740 643124167 /nfs/dbraw/zinc/12/41/67/643124167.db2.gz MJCHOKFNOPSTDE-YGRLFVJLSA-N 1 1 283.366 2.213 20 10 CECDMO C[C@@H]1[C@@H](NCc2cc(F)c(N(C)C)cc2F)CC[N@H+]1C ZINC000922554740 643124168 /nfs/dbraw/zinc/12/41/68/643124168.db2.gz MJCHOKFNOPSTDE-YGRLFVJLSA-N 1 1 283.366 2.213 20 10 CECDMO C[N@@H+](Cc1ccccc1O)[C@@H]1C[C@@H]2CCCC[C@@H]2NC1=O ZINC000851841451 643187233 /nfs/dbraw/zinc/18/72/33/643187233.db2.gz SHOPSRWBEUNGJU-AEGPPILISA-N 1 1 288.391 2.271 20 10 CECDMO Cc1ccc(C[N@H+]2CCc3c(cccc3C(N)=O)C2)c(O)c1 ZINC000877642853 650830853 /nfs/dbraw/zinc/83/08/53/650830853.db2.gz VKVJPILEMNODGX-UHFFFAOYSA-N 1 1 296.370 2.358 20 10 CECDMO Cc1nc([C@@H](C)N2CCCc3cc(C[NH3+])ccc32)n[nH]1 ZINC000852740676 643527976 /nfs/dbraw/zinc/52/79/76/643527976.db2.gz JBRKQRKIIVZXTF-SNVBAGLBSA-N 1 1 271.368 2.086 20 10 CECDMO CC1([NH2+]Cc2c(O)cccc2Br)COC1 ZINC000877691306 650852583 /nfs/dbraw/zinc/85/25/83/650852583.db2.gz MKKRZCNKJLVYBN-UHFFFAOYSA-N 1 1 272.142 2.033 20 10 CECDMO C[N@H+]1CC[C@H]2CN(Cc3cc(F)ccc3O)CC[C@H]21 ZINC000877740975 650884601 /nfs/dbraw/zinc/88/46/01/650884601.db2.gz LQCKYKDOHHGJFE-SMDDNHRTSA-N 1 1 264.344 2.057 20 10 CECDMO CN(C)c1ccc(CN2CC[C@H]3[C@@H](CC[N@H+]3C)C2)cc1 ZINC000877743382 650888597 /nfs/dbraw/zinc/88/85/97/650888597.db2.gz KFORQDUAFFEYNF-RDJZCZTQSA-N 1 1 273.424 2.279 20 10 CECDMO Oc1ccccc1C[N@@H+](C[C@H](O)C1CC1)C[C@H]1CCCO1 ZINC000838894866 644073080 /nfs/dbraw/zinc/07/30/80/644073080.db2.gz KNQPFHMZSYEWHP-WBVHZDCISA-N 1 1 291.391 2.144 20 10 CECDMO CC1(C)C[C@H](O)C[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000877753022 650897340 /nfs/dbraw/zinc/89/73/40/650897340.db2.gz VDUHEXKDBAAJPI-LBPRGKRZSA-N 1 1 253.317 2.124 20 10 CECDMO COc1cccc(C[NH+]2CC(OC(C)(C)C)C2)c1O ZINC000877772350 650904547 /nfs/dbraw/zinc/90/45/47/650904547.db2.gz ZXVLFIXZUXWQKS-UHFFFAOYSA-N 1 1 265.353 2.400 20 10 CECDMO COc1cc(C)cc(C[N@H+]2CCCO[C@@H](C)C2)c1O ZINC000754732658 644421896 /nfs/dbraw/zinc/42/18/96/644421896.db2.gz SOYXJZLGWSYMBN-LBPRGKRZSA-N 1 1 265.353 2.320 20 10 CECDMO C[C@H]([NH2+]C[C@@H](O)C(F)(F)F)c1cc(F)cc(F)c1O ZINC000756450594 644650320 /nfs/dbraw/zinc/65/03/20/644650320.db2.gz SUKUHUMKPAWQQU-SSDLBLMSSA-N 1 1 285.212 2.244 20 10 CECDMO COC(=O)N1CCC[C@H]([NH2+][C@H](C)c2ccc(F)cc2O)C1 ZINC000756526072 644658949 /nfs/dbraw/zinc/65/89/49/644658949.db2.gz FHFUHPJQTOYGGO-PWSUYJOCSA-N 1 1 296.342 2.413 20 10 CECDMO CC[C@H](O)CCC[NH2+][C@H](C)c1cc(C(=O)OC)ccc1O ZINC000756731602 644687319 /nfs/dbraw/zinc/68/73/19/644687319.db2.gz CJJLEMOQPOKARN-YPMHNXCESA-N 1 1 295.379 2.381 20 10 CECDMO CC[C@@H](O)CCC[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000756731598 644687325 /nfs/dbraw/zinc/68/73/25/644687325.db2.gz CJJLEMOQPOKARN-WCQYABFASA-N 1 1 295.379 2.381 20 10 CECDMO C[C@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2)C[C@@H]1CO ZINC000856796009 644728449 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C[N@H+]1CCCC12CCN(C(=O)C1=CC(=O)CS1)CC2 ZINC000761168739 645253341 /nfs/dbraw/zinc/25/33/41/645253341.db2.gz UXUNGZZWWFOMQV-UHFFFAOYSA-N 1 1 280.393 2.154 20 10 CECDMO Cc1[nH+]ccn1CCCOC(=O)C1=CC(=O)CS1 ZINC000767629753 646015402 /nfs/dbraw/zinc/01/54/02/646015402.db2.gz SXRFGGKSJRDSSX-UHFFFAOYSA-N 1 1 266.322 2.206 20 10 CECDMO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1c(O)cccc1OC ZINC000768172229 646092796 /nfs/dbraw/zinc/09/27/96/646092796.db2.gz NSHGCIMMFVURDH-RYUDHWBXSA-N 1 1 265.353 2.400 20 10 CECDMO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1c(O)cccc1OC ZINC000768172226 646093048 /nfs/dbraw/zinc/09/30/48/646093048.db2.gz NSHGCIMMFVURDH-NEPJUHHUSA-N 1 1 265.353 2.400 20 10 CECDMO COc1cc(C[N@H+](C)Cc2cc[nH]n2)c(O)cc1C ZINC000768447874 646123385 /nfs/dbraw/zinc/12/33/85/646123385.db2.gz QNVLOHVFTSVZNQ-UHFFFAOYSA-N 1 1 261.325 2.064 20 10 CECDMO COc1cc(C[N@@H+](C)Cc2cc[nH]n2)c(O)cc1C ZINC000768447874 646123388 /nfs/dbraw/zinc/12/33/88/646123388.db2.gz QNVLOHVFTSVZNQ-UHFFFAOYSA-N 1 1 261.325 2.064 20 10 CECDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@@H]([C@H](C)O)C2)c1 ZINC000768519811 646135067 /nfs/dbraw/zinc/13/50/67/646135067.db2.gz XXIOTZUTVNMXAX-QWHCGFSZSA-N 1 1 279.380 2.384 20 10 CECDMO CCOC(=O)C[N@H+](Cc1cc(OC)ccc1O)C1CCC1 ZINC000768531527 646135900 /nfs/dbraw/zinc/13/59/00/646135900.db2.gz ZHUJQXLJCULNRN-UHFFFAOYSA-N 1 1 293.363 2.318 20 10 CECDMO CCOC(=O)C[N@@H+](Cc1cc(OC)ccc1O)C1CCC1 ZINC000768531527 646135902 /nfs/dbraw/zinc/13/59/02/646135902.db2.gz ZHUJQXLJCULNRN-UHFFFAOYSA-N 1 1 293.363 2.318 20 10 CECDMO CCC[N@@H+](Cc1c(O)cccc1OC)CC(C)(C)O ZINC000769326262 646244819 /nfs/dbraw/zinc/24/48/19/646244819.db2.gz HEZTYNLCBHMACY-UHFFFAOYSA-N 1 1 267.369 2.384 20 10 CECDMO CCOc1ccc(CN2CC[N@@H+](CC)[C@@H](C)C2)c(O)c1 ZINC000769382625 646256607 /nfs/dbraw/zinc/25/66/07/646256607.db2.gz ZMXSMAZQIFJVBG-ZDUSSCGKSA-N 1 1 278.396 2.317 20 10 CECDMO CCOc1ccc(C[N@@H+]2CCN(CC)[C@@H](C)C2)c(O)c1 ZINC000769382625 646256610 /nfs/dbraw/zinc/25/66/10/646256610.db2.gz ZMXSMAZQIFJVBG-ZDUSSCGKSA-N 1 1 278.396 2.317 20 10 CECDMO CCOc1ccc(C[N@H+]2CCN(CC)[C@@H](C)C2)c(O)c1 ZINC000769382625 646256616 /nfs/dbraw/zinc/25/66/16/646256616.db2.gz ZMXSMAZQIFJVBG-ZDUSSCGKSA-N 1 1 278.396 2.317 20 10 CECDMO CCOc1ccc(C[N@H+]2CCO[C@@H](C)[C@H]2C)c(O)c1 ZINC000769423464 646264086 /nfs/dbraw/zinc/26/40/86/646264086.db2.gz RXKLZSJAXJBCQB-NEPJUHHUSA-N 1 1 265.353 2.400 20 10 CECDMO CC[N@H+]1C[C@@H](C)N(Cc2cc3c(cc2O)OCO3)C[C@@H]1C ZINC000769467828 646272742 /nfs/dbraw/zinc/27/27/42/646272742.db2.gz ZRGINNBMGHMFGP-NWDGAFQWSA-N 1 1 292.379 2.035 20 10 CECDMO CCN1C[C@@H](C)[N@H+](Cc2cc3c(cc2O)OCO3)C[C@@H]1C ZINC000769467828 646272745 /nfs/dbraw/zinc/27/27/45/646272745.db2.gz ZRGINNBMGHMFGP-NWDGAFQWSA-N 1 1 292.379 2.035 20 10 CECDMO CCN1C[C@@H](C)[N@@H+](Cc2cc3c(cc2O)OCO3)C[C@@H]1C ZINC000769467828 646272749 /nfs/dbraw/zinc/27/27/49/646272749.db2.gz ZRGINNBMGHMFGP-NWDGAFQWSA-N 1 1 292.379 2.035 20 10 CECDMO COc1cccc(O)c1C[N@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000770279156 646375843 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CC[C@@H](NCC1([NH3+])CCOCC1)c1ccc(N(C)C)cc1 ZINC000863540097 646751211 /nfs/dbraw/zinc/75/12/11/646751211.db2.gz AMQYHSBNNDIWTG-MRXNPFEDSA-N 1 1 291.439 2.301 20 10 CECDMO CC[C@@H]([NH2+]CC1(N)CCOCC1)c1ccc(N(C)C)cc1 ZINC000863540097 646751213 /nfs/dbraw/zinc/75/12/13/646751213.db2.gz AMQYHSBNNDIWTG-MRXNPFEDSA-N 1 1 291.439 2.301 20 10 CECDMO CC[C@H]([NH2+]CCOCC[NH2+]C)c1cc(Cl)ccc1[O-] ZINC000863544257 646752668 /nfs/dbraw/zinc/75/26/68/646752668.db2.gz OQBNZTRDCPEIHN-ZDUSSCGKSA-N 1 1 286.803 2.322 20 10 CECDMO CCN(C)c1ccc(C[N@@H+](C)[C@H](C)C[S@@](C)=O)cc1 ZINC000773839839 646779388 /nfs/dbraw/zinc/77/93/88/646779388.db2.gz OATVSKHYQQVQAI-BFUOFWGJSA-N 1 1 282.453 2.342 20 10 CECDMO COc1c(O)c(C[NH2+]C[C@H]2CC2(C)C)ccc1[N+](=O)[O-] ZINC000775014034 646916267 /nfs/dbraw/zinc/91/62/67/646916267.db2.gz XVNYGAIRTYVTFC-SNVBAGLBSA-N 1 1 280.324 2.445 20 10 CECDMO CCOc1ccc(C[N@H+]2C[C@@H](C)N(C)C[C@H]2C)c(O)c1 ZINC000775981479 647012830 /nfs/dbraw/zinc/01/28/30/647012830.db2.gz QXZNMJNIKLRUMQ-CHWSQXEVSA-N 1 1 278.396 2.315 20 10 CECDMO CCOc1ccc(CN2C[C@@H](C)[N@H+](C)C[C@H]2C)c(O)c1 ZINC000775981479 647012833 /nfs/dbraw/zinc/01/28/33/647012833.db2.gz QXZNMJNIKLRUMQ-CHWSQXEVSA-N 1 1 278.396 2.315 20 10 CECDMO CCOc1ccc(CN2C[C@@H](C)[N@@H+](C)C[C@H]2C)c(O)c1 ZINC000775981479 647012837 /nfs/dbraw/zinc/01/28/37/647012837.db2.gz QXZNMJNIKLRUMQ-CHWSQXEVSA-N 1 1 278.396 2.315 20 10 CECDMO C[C@@H]1CN(C)[C@@H](C)C[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000775986254 647013243 /nfs/dbraw/zinc/01/32/43/647013243.db2.gz QOUNBRDGGGNPSG-UONOGXRCSA-N 1 1 261.413 2.277 20 10 CECDMO C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1ccc(N(C)C)cc1 ZINC000775986254 647013245 /nfs/dbraw/zinc/01/32/45/647013245.db2.gz QOUNBRDGGGNPSG-UONOGXRCSA-N 1 1 261.413 2.277 20 10 CECDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1Cc1ccc(N(C)C)cc1 ZINC000775986254 647013249 /nfs/dbraw/zinc/01/32/49/647013249.db2.gz QOUNBRDGGGNPSG-UONOGXRCSA-N 1 1 261.413 2.277 20 10 CECDMO COc1cccc(O)c1C[N@@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000779152978 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COC(=O)[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)[C@H]1C ZINC000787420670 648107658 /nfs/dbraw/zinc/10/76/58/648107658.db2.gz KIVASMJBJVRQBP-CABZTGNLSA-N 1 1 283.755 2.429 20 10 CECDMO CCN(CC)c1ccc(C[N@H+]2C[C@H](O)C[C@@H]2C)cc1 ZINC000788270937 648167798 /nfs/dbraw/zinc/16/77/98/648167798.db2.gz XHBFETXFRURZQS-XJKSGUPXSA-N 1 1 262.397 2.488 20 10 CECDMO C[C@@H](CO)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000788629710 648209437 /nfs/dbraw/zinc/20/94/37/648209437.db2.gz CUPZYONWPRCIMY-YUMQZZPRSA-N 1 1 263.259 2.442 20 10 CECDMO CN(C)c1ccc(C[N@H+]2CCC[C@]2(C)CO)cc1F ZINC000789557545 648317525 /nfs/dbraw/zinc/31/75/25/648317525.db2.gz KCBAPFIPRUPXSH-OAHLLOKOSA-N 1 1 266.360 2.239 20 10 CECDMO C[C@H](CC[NH2+]Cc1c(O)ccc(Cl)c1F)[S@](C)=O ZINC000790977420 648466902 /nfs/dbraw/zinc/46/69/02/648466902.db2.gz LONZFGJQBMPPPI-CVJBHZAOSA-N 1 1 293.791 2.431 20 10 CECDMO CCCN(Cc1n[nH]c(C)n1)Cc1ccccc1O ZINC000794384946 648860659 /nfs/dbraw/zinc/86/06/59/648860659.db2.gz XNEFAAPUGPIHTB-UHFFFAOYSA-N 1 1 260.341 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NJKNHNHOAULTKW-XJKSGUPXSA-N 1 1 261.413 2.131 20 10 CECDMO COc1cc(Cl)cc(CNCC[N@H+](C)C(C)C)c1O ZINC000228672903 639651476 /nfs/dbraw/zinc/65/14/76/639651476.db2.gz KFTLQYGGKAGSBE-UHFFFAOYSA-N 1 1 286.803 2.484 20 10 CECDMO COc1cc(Cl)cc(CNCC[N@@H+](C)C(C)C)c1O ZINC000228672903 639651480 /nfs/dbraw/zinc/65/14/80/639651480.db2.gz KFTLQYGGKAGSBE-UHFFFAOYSA-N 1 1 286.803 2.484 20 10 CECDMO C[NH2+]CCC[N@@H+](C)Cc1cccc(Br)c1[O-] ZINC000841103307 639674866 /nfs/dbraw/zinc/67/48/66/639674866.db2.gz GMEUAHXEWKDXNI-UHFFFAOYSA-N 1 1 287.201 2.196 20 10 CECDMO COc1cnc(F)c(C[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000876995211 650524070 /nfs/dbraw/zinc/52/40/70/650524070.db2.gz BUQXMVGYZKVAAY-UHFFFAOYSA-N 1 1 288.322 2.454 20 10 CECDMO C[C@H]([NH2+][C@@H]1CC[C@H](C(N)=O)C1)c1ccc(Cl)cc1O ZINC000841752973 639857850 /nfs/dbraw/zinc/85/78/50/639857850.db2.gz DHIWAEPOJAKDHW-ATZCPNFKSA-N 1 1 282.771 2.350 20 10 CECDMO Cc1cc(C)c(O)c(C[N@H+]2CC[C@H](Nc3ncccn3)C2)c1 ZINC000842614731 640119357 /nfs/dbraw/zinc/11/93/57/640119357.db2.gz CSGBIBUDUACTHX-HNNXBMFYSA-N 1 1 298.390 2.485 20 10 CECDMO C[C@H]([NH2+]CC(C)(C)[C@@]1(O)CCOC1)c1ccc(F)cc1O ZINC000842919702 640221639 /nfs/dbraw/zinc/22/16/39/640221639.db2.gz NGRSATALEMQFQM-MEDUHNTESA-N 1 1 297.370 2.360 20 10 CECDMO CCOc1ccc(O)c(CN2CCC[C@H](C[NH2+]C)C2)c1 ZINC000843044981 640249315 /nfs/dbraw/zinc/24/93/15/640249315.db2.gz OPJPWRYAMLMMRF-CYBMUJFWSA-N 1 1 278.396 2.222 20 10 CECDMO C[N@@H+](Cc1cccc(Cl)c1[O-])C1CC[NH2+]CC1 ZINC000843044706 640250081 /nfs/dbraw/zinc/25/00/81/640250081.db2.gz FZGUOHUSGMYYQK-UHFFFAOYSA-N 1 1 254.761 2.229 20 10 CECDMO [O-]c1c(F)cccc1C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000843054239 640257493 /nfs/dbraw/zinc/25/74/93/640257493.db2.gz HKHRFNMHWRJWAO-UHFFFAOYSA-N 1 1 278.371 2.495 20 10 CECDMO C[C@@H]1CN(Cc2cc(Cl)cc(F)c2O)[C@H](C)C[NH2+]1 ZINC000843119949 640289441 /nfs/dbraw/zinc/28/94/41/640289441.db2.gz QBYKJINNIZLXOJ-RKDXNWHRSA-N 1 1 272.751 2.367 20 10 CECDMO [NH3+]CC[C@H]1CCCC[N@H+]1Cc1cccc(F)c1[O-] ZINC000843123224 640291019 /nfs/dbraw/zinc/29/10/19/640291019.db2.gz JBPHLBBTWHZGNV-GFCCVEGCSA-N 1 1 252.333 2.235 20 10 CECDMO COc1cccc([C@@H](C)[NH2+][C@@H]2CCc3cn[nH]c3C2)c1O ZINC000846144280 641200530 /nfs/dbraw/zinc/20/05/30/641200530.db2.gz BXJMPEDPLYTPEZ-ZYHUDNBSSA-N 1 1 287.363 2.332 20 10 CECDMO CC[C@@H]([NH2+]C[C@@H]1CC(=O)N(CC)C1)c1ccc(F)cc1O ZINC000846208405 641221879 /nfs/dbraw/zinc/22/18/79/641221879.db2.gz JNJXOGZPONGAFF-SMDDNHRTSA-N 1 1 294.370 2.440 20 10 CECDMO Cc1cccc(C[N@@H+]2CCN(C)C[C@@H]2C(C)C)c1O ZINC000182134232 641627723 /nfs/dbraw/zinc/62/77/23/641627723.db2.gz BKBGYILXHPGHNQ-OAHLLOKOSA-N 1 1 262.397 2.473 20 10 CECDMO Nc1ccc(NC(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000848594376 642072367 /nfs/dbraw/zinc/07/23/67/642072367.db2.gz JZRLPTXAOKWIOV-LSDHHAIUSA-N 1 1 288.395 2.407 20 10 CECDMO CCc1cccc(C[N@@H+](CC)[C@H](C)CS(C)(=O)=O)c1O ZINC000848887395 642172412 /nfs/dbraw/zinc/17/24/12/642172412.db2.gz VKKLRYAXBAIFNG-GFCCVEGCSA-N 1 1 299.436 2.210 20 10 CECDMO CCc1cccc(C[N@H+](CC)[C@H](C)CS(C)(=O)=O)c1O ZINC000848887395 642172417 /nfs/dbraw/zinc/17/24/17/642172417.db2.gz VKKLRYAXBAIFNG-GFCCVEGCSA-N 1 1 299.436 2.210 20 10 CECDMO CCc1cccc(C[N@H+]2CCC[C@H]2CC(=O)OC)c1O ZINC000848888407 642173568 /nfs/dbraw/zinc/17/35/68/642173568.db2.gz SXPXGFNSDNBNLO-AWEZNQCLSA-N 1 1 277.364 2.482 20 10 CECDMO CCc1cccc(C[NH2+][C@H](C)c2nnnn2C2CC2)c1O ZINC000848906496 642182673 /nfs/dbraw/zinc/18/26/73/642182673.db2.gz VHAODPYWWPVLGB-SNVBAGLBSA-N 1 1 287.367 2.127 20 10 CECDMO CCc1cccc(C[N@@H+](C)[C@@H](C)CN2CCOCC2)c1O ZINC000848908030 642183606 /nfs/dbraw/zinc/18/36/06/642183606.db2.gz WRBRXFOKEFWSSD-AWEZNQCLSA-N 1 1 292.423 2.107 20 10 CECDMO Cc1ccc(C[N@H+]2CCC[C@@H](S(C)(=O)=O)CC2)c(O)c1 ZINC000877500339 650753402 /nfs/dbraw/zinc/75/34/02/650753402.db2.gz SBJVEDJVYVJODA-CQSZACIVSA-N 1 1 297.420 2.100 20 10 CECDMO CC[C@@H]1C[N@@H+](Cc2c(C)cccc2O)C[C@@H](C)[S@]1=O ZINC000877519691 650763221 /nfs/dbraw/zinc/76/32/21/650763221.db2.gz ZLLGIPMCTITWMW-VLXJIEOASA-N 1 1 281.421 2.432 20 10 CECDMO Cc1ccc(C[N@@H+](C)C[C@H](O)C(F)(F)F)c(O)c1 ZINC000877526905 650768492 /nfs/dbraw/zinc/76/84/92/650768492.db2.gz GGQLPYYBPXLPGB-NSHDSACASA-N 1 1 263.259 2.056 20 10 CECDMO COc1cccc([C@H](C)[NH2+][C@H]2C[C@@H](C)n3ncnc32)c1O ZINC000850499458 642733311 /nfs/dbraw/zinc/73/33/11/642733311.db2.gz PYBYDRZKWWWHLW-SCVCMEIPSA-N 1 1 288.351 2.349 20 10 CECDMO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2nc(C(N)=O)cs2)c1 ZINC000850540712 642746416 /nfs/dbraw/zinc/74/64/16/642746416.db2.gz NPKAYZTXPFNSIK-SECBINFHSA-N 1 1 291.376 2.107 20 10 CECDMO C[C@@H](CNCc1ccc2c(c1)CCCO2)C[NH+](C)C ZINC000922140916 642902606 /nfs/dbraw/zinc/90/26/06/642902606.db2.gz UQHYZZDDHBDVEG-ZDUSSCGKSA-N 1 1 262.397 2.299 20 10 CECDMO Cc1cccc(O)c1C[N@H+]1CCO[C@@]2(CCSC2)C1 ZINC000877605296 650810752 /nfs/dbraw/zinc/81/07/52/650810752.db2.gz YYEUUUZLFCUUBW-HNNXBMFYSA-N 1 1 279.405 2.409 20 10 CECDMO COCCN1CC[N@@H+](Cc2ccc(C)cc2O)C(C)(C)C1 ZINC000877614142 650814994 /nfs/dbraw/zinc/81/49/94/650814994.db2.gz GNSCFBYTNACKOT-UHFFFAOYSA-N 1 1 292.423 2.243 20 10 CECDMO COCC[N@@H+]1CCN(Cc2ccc(C)cc2O)C(C)(C)C1 ZINC000877614142 650814996 /nfs/dbraw/zinc/81/49/96/650814996.db2.gz GNSCFBYTNACKOT-UHFFFAOYSA-N 1 1 292.423 2.243 20 10 CECDMO COCC[N@H+]1CCN(Cc2ccc(C)cc2O)C(C)(C)C1 ZINC000877614142 650815000 /nfs/dbraw/zinc/81/50/00/650815000.db2.gz GNSCFBYTNACKOT-UHFFFAOYSA-N 1 1 292.423 2.243 20 10 CECDMO CC[C@]1(O)CCC[N@@H+](Cc2cccc(OC)c2O)C1 ZINC000877691697 650852617 /nfs/dbraw/zinc/85/26/17/650852617.db2.gz SRBSERKBYNHHTO-HNNXBMFYSA-N 1 1 265.353 2.138 20 10 CECDMO COc1ccc(N(C)CCN(C)CCC[NH2+]C2CC2)cc1 ZINC000923388658 643693662 /nfs/dbraw/zinc/69/36/62/643693662.db2.gz SXDVCCUWVZIKTG-UHFFFAOYSA-N 1 1 291.439 2.205 20 10 CECDMO O=c1c(C[N@H+]2Cc3cccc(O)c3C2)cccn1C(F)F ZINC000877702740 650859810 /nfs/dbraw/zinc/85/98/10/650859810.db2.gz FTPMBXHLUYWTCC-UHFFFAOYSA-N 1 1 292.285 2.465 20 10 CECDMO [NH3+][C@@H]1CN(Cc2c(O)ccc(Cl)c2F)CC[C@H]1F ZINC000853247789 643720823 /nfs/dbraw/zinc/72/08/23/643720823.db2.gz BEPXNOMSDIHFCP-NXEZZACHSA-N 1 1 276.714 2.056 20 10 CECDMO C[C@@H]1C[C@H](C)CN(C(=O)C[N@@H+](C)Cc2ccccc2O)C1 ZINC000111236499 643734602 /nfs/dbraw/zinc/73/46/02/643734602.db2.gz NGMNSPGTJYXLGY-OKILXGFUSA-N 1 1 290.407 2.329 20 10 CECDMO Cc1cc(O)c(C[N@H+]2CC[C@@H](N3CCOC3=O)C2)cc1C ZINC000853540466 643809074 /nfs/dbraw/zinc/80/90/74/643809074.db2.gz HXXPWTQIXLAPJN-CQSZACIVSA-N 1 1 290.363 2.036 20 10 CECDMO CN(C)c1ccc(C[N@@H+](C[C@H](O)C2CC2)C2CC2)cc1 ZINC000838793146 644012761 /nfs/dbraw/zinc/01/27/61/644012761.db2.gz HUOMXWDNWVRWFV-KRWDZBQOSA-N 1 1 274.408 2.488 20 10 CECDMO CC[N@@H+](CC(=O)NCc1ccc(N(C)C)cc1)C1CCC1 ZINC000839493211 644240114 /nfs/dbraw/zinc/24/01/14/644240114.db2.gz DXCLFALMFJNOGS-UHFFFAOYSA-N 1 1 289.423 2.243 20 10 CECDMO Cc1cc(C)c(O)c(C[N@H+]2CC[S@](=O)[C@@H](C)[C@@H]2C)c1 ZINC000754732684 644421836 /nfs/dbraw/zinc/42/18/36/644421836.db2.gz UTKHMXRPKJEKRT-JMERFSKESA-N 1 1 281.421 2.350 20 10 CECDMO Cc1cc(C)c(O)c(C[N@@H+]2CC[S@](=O)[C@@H](C)[C@@H]2C)c1 ZINC000754732684 644421843 /nfs/dbraw/zinc/42/18/43/644421843.db2.gz UTKHMXRPKJEKRT-JMERFSKESA-N 1 1 281.421 2.350 20 10 CECDMO C[C@@H]([NH2+]C[C@H](O)C(F)(F)F)c1cc(F)cc(F)c1O ZINC000756450420 644650874 /nfs/dbraw/zinc/65/08/74/644650874.db2.gz SUKUHUMKPAWQQU-ANLVUFKYSA-N 1 1 285.212 2.244 20 10 CECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2cc(C)n[nH]2)c1 ZINC000756586689 644672804 /nfs/dbraw/zinc/67/28/04/644672804.db2.gz VRFZFXAGIRLSCG-SNVBAGLBSA-N 1 1 289.335 2.061 20 10 CECDMO C[N@H+]1CCCC[C@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000858245365 645097636 /nfs/dbraw/zinc/09/76/36/645097636.db2.gz RIIQMRSMCRMXIS-GFCCVEGCSA-N 1 1 293.367 2.122 20 10 CECDMO COc1cccc(O)c1C[N@@H+](C)[C@H]1CCSC1 ZINC000768261316 646102493 /nfs/dbraw/zinc/10/24/93/646102493.db2.gz BGDPMJDDWAWHES-JTQLQIEISA-N 1 1 253.367 2.338 20 10 CECDMO CCOc1ccc(C[N@@H+](C)[C@@H]2CCN(C3CC3)C2)c(O)c1 ZINC000769325950 646244860 /nfs/dbraw/zinc/24/48/60/646244860.db2.gz DURQHGBXSZTRDB-OAHLLOKOSA-N 1 1 290.407 2.459 20 10 CECDMO CCOc1ccc(CN(C)[C@@H]2CC[N@@H+](C3CC3)C2)c(O)c1 ZINC000769325950 646244864 /nfs/dbraw/zinc/24/48/64/646244864.db2.gz DURQHGBXSZTRDB-OAHLLOKOSA-N 1 1 290.407 2.459 20 10 CECDMO CCOc1ccc(CN(C)[C@@H]2CC[N@H+](C3CC3)C2)c(O)c1 ZINC000769325950 646244870 /nfs/dbraw/zinc/24/48/70/646244870.db2.gz DURQHGBXSZTRDB-OAHLLOKOSA-N 1 1 290.407 2.459 20 10 CECDMO CCOc1ccc(O)c(C[N@@H+](C)[C@@H]2CCN(C3CC3)C2)c1 ZINC000769327430 646245876 /nfs/dbraw/zinc/24/58/76/646245876.db2.gz ZCYOCMMOMQPQTG-OAHLLOKOSA-N 1 1 290.407 2.459 20 10 CECDMO CCOc1ccc(O)c(CN(C)[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000769327430 646245883 /nfs/dbraw/zinc/24/58/83/646245883.db2.gz ZCYOCMMOMQPQTG-OAHLLOKOSA-N 1 1 290.407 2.459 20 10 CECDMO CCOc1ccc(O)c(CN(C)[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000769327430 646245888 /nfs/dbraw/zinc/24/58/88/646245888.db2.gz ZCYOCMMOMQPQTG-OAHLLOKOSA-N 1 1 290.407 2.459 20 10 CECDMO CCOc1ccc(C[N@@H+](C)Cc2cn[nH]c2)c(O)c1 ZINC000769427305 646265223 /nfs/dbraw/zinc/26/52/23/646265223.db2.gz XOGLNYVVEVNCKW-UHFFFAOYSA-N 1 1 261.325 2.146 20 10 CECDMO Cc1cc(O)c(C[N@H+]2CCSC[C@H]2CCO)cc1C ZINC000770305732 646378095 /nfs/dbraw/zinc/37/80/95/646378095.db2.gz KAMRSYNWGUEEEO-CQSZACIVSA-N 1 1 281.421 2.309 20 10 CECDMO O=C(OCC[NH+]1CCCCC1)C1=CC(=O)CS1 ZINC000770365690 646382750 /nfs/dbraw/zinc/38/27/50/646382750.db2.gz AFFUSDBCIBBJDU-UHFFFAOYSA-N 1 1 255.339 2.096 20 10 CECDMO CC[C@H](CO)[N@@H+](C)Cc1cc(F)c(N(C)C)cc1F ZINC000862382687 646428295 /nfs/dbraw/zinc/42/82/95/646428295.db2.gz WRLUHDZOKLCPSY-LLVKDONJSA-N 1 1 272.339 2.234 20 10 CECDMO CCOc1cccc(C[N@H+]2CCO[C@](C)(COC)C2)c1O ZINC000862550994 646496685 /nfs/dbraw/zinc/49/66/85/646496685.db2.gz IZRIFUKYIYUPMD-INIZCTEOSA-N 1 1 295.379 2.028 20 10 CECDMO COC[C@]1(C)C[N@@H+](Cc2cc(C)cc(C)c2O)CCO1 ZINC000863340398 646707687 /nfs/dbraw/zinc/70/76/87/646707687.db2.gz KOPDNFJCFVSRQJ-INIZCTEOSA-N 1 1 279.380 2.246 20 10 CECDMO CCOc1ccc(O)c(C[NH2+][C@@H]2CC[C@@H](C)NC2)c1 ZINC000863484762 646740267 /nfs/dbraw/zinc/74/02/67/646740267.db2.gz LVAVVWFNKCRKCP-DGCLKSJQSA-N 1 1 264.369 2.021 20 10 CECDMO CCN(C)c1ccc(C[N@H+]2CC[C@@H](O)[C@@H](C)C2)cc1 ZINC000773846875 646780222 /nfs/dbraw/zinc/78/02/22/646780222.db2.gz LHIPTTUFKYKLHX-XJKSGUPXSA-N 1 1 262.397 2.345 20 10 CECDMO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ncc(C)cn2)c1 ZINC000775376305 646947267 /nfs/dbraw/zinc/94/72/67/646947267.db2.gz SJBMTMNABJLASH-LLVKDONJSA-N 1 1 273.336 2.350 20 10 CECDMO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1cc(OC)c(OC)cc1O ZINC000775642837 646974766 /nfs/dbraw/zinc/97/47/66/646974766.db2.gz PCYLUEANKFRXMR-YPMHNXCESA-N 1 1 295.379 2.409 20 10 CECDMO CC[C@]1(C)COCC[N@@H+]1Cc1cc(OC)c(OC)cc1O ZINC000775981994 647013970 /nfs/dbraw/zinc/01/39/70/647013970.db2.gz WYXKPLONSSXONY-MRXNPFEDSA-N 1 1 295.379 2.410 20 10 CECDMO CC[C@]1(C)COCC[N@H+]1Cc1cc(OC)c(OC)cc1O ZINC000775981994 647013972 /nfs/dbraw/zinc/01/39/72/647013972.db2.gz WYXKPLONSSXONY-MRXNPFEDSA-N 1 1 295.379 2.410 20 10 CECDMO C[C@H]1C[C@@H]1C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775991132 647014317 /nfs/dbraw/zinc/01/43/17/647014317.db2.gz KPYXNGZKLTVJSE-GOEBONIOSA-N 1 1 273.424 2.184 20 10 CECDMO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2cccc(F)c2O)N1 ZINC000778519872 647238775 /nfs/dbraw/zinc/23/87/75/647238775.db2.gz LWMJEAKKOOTDRB-CYBMUJFWSA-N 1 1 297.293 2.378 20 10 CECDMO COCC[N@@H+](Cc1cc(C)c(C)cc1O)[C@@H]1CCOC1 ZINC000782951547 647665387 /nfs/dbraw/zinc/66/53/87/647665387.db2.gz COJDPJWFKDNNLR-OAHLLOKOSA-N 1 1 279.380 2.246 20 10 CECDMO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)[C@@H](C)[C@@H](C)O1 ZINC000783543625 647727866 /nfs/dbraw/zinc/72/78/66/647727866.db2.gz NMUUASNVHPVRTL-OUAUKWLOSA-N 1 1 279.336 2.119 20 10 CECDMO C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)[C@@H](C)[C@@H](C)O1 ZINC000783543625 647727868 /nfs/dbraw/zinc/72/78/68/647727868.db2.gz NMUUASNVHPVRTL-OUAUKWLOSA-N 1 1 279.336 2.119 20 10 CECDMO CCOc1ccc(C[N@H+]2C[C@@H](C)O[C@H](COC)C2)c(O)c1 ZINC000784666885 647873662 /nfs/dbraw/zinc/87/36/62/647873662.db2.gz CASHMWALOQFWDR-DOMZBBRYSA-N 1 1 295.379 2.027 20 10 CECDMO Cc1ccc(C[NH2+][C@H](C)c2ccc(F)cc2O)c(=O)n1C ZINC000786928205 648057476 /nfs/dbraw/zinc/05/74/76/648057476.db2.gz BNVKLVYCCZZRGE-LLVKDONJSA-N 1 1 290.338 2.389 20 10 CECDMO COCC[N@H+](Cc1ccnn1C)Cc1cccc(C)c1O ZINC000787331381 648100912 /nfs/dbraw/zinc/10/09/12/648100912.db2.gz JVSQQOSYHCEASX-UHFFFAOYSA-N 1 1 289.379 2.083 20 10 CECDMO COCC[N@@H+](Cc1ccnn1C)Cc1cccc(C)c1O ZINC000787331381 648100915 /nfs/dbraw/zinc/10/09/15/648100915.db2.gz JVSQQOSYHCEASX-UHFFFAOYSA-N 1 1 289.379 2.083 20 10 CECDMO COc1cc(Cl)cc(C[N@H+]2C[C@@H](O)C[C@H]2C)c1O ZINC000788268589 648167397 /nfs/dbraw/zinc/16/73/97/648167397.db2.gz GKOWXGAKLVDDLX-KCJUWKMLSA-N 1 1 271.744 2.009 20 10 CECDMO COCCOC[C@@H](C)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790974869 648467000 /nfs/dbraw/zinc/46/70/00/648467000.db2.gz YHFLPVWAKOKRFG-SECBINFHSA-N 1 1 291.750 2.326 20 10 CECDMO CC[C@H]1C[N@H+](Cc2c(O)ccc(Cl)c2F)C[C@@H]1O ZINC000792173176 648619603 /nfs/dbraw/zinc/61/96/03/648619603.db2.gz TXCRVBIOMXSEJI-UFBFGSQYSA-N 1 1 273.735 2.387 20 10 CECDMO CC[C@H]1C[N@@H+](Cc2c(O)ccc(Cl)c2F)C[C@@H]1O ZINC000792173176 648619606 /nfs/dbraw/zinc/61/96/06/648619606.db2.gz TXCRVBIOMXSEJI-UFBFGSQYSA-N 1 1 273.735 2.387 20 10 CECDMO COc1cc(O)c(C[N@H+]2CC(C)(C)OC[C@@H]2C)cc1OC ZINC000792726844 648669383 /nfs/dbraw/zinc/66/93/83/648669383.db2.gz YRVLMIQCKZULBA-NSHDSACASA-N 1 1 295.379 2.409 20 10 CECDMO Cc1cc(C)c(O)c(C[N@H+]2CCO[C@]3(CCO[C@H]3C)C2)c1 ZINC000794657569 648900308 /nfs/dbraw/zinc/90/03/08/648900308.db2.gz BGXPSEDQKSTCAO-WMLDXEAASA-N 1 1 291.391 2.389 20 10 CECDMO CC[C@@H]([NH2+]C[C@H]1C[C@H](O)C1)c1ccc(F)cc1O ZINC000872125912 649285065 /nfs/dbraw/zinc/28/50/65/649285065.db2.gz HEWOPKBKFZHISW-IRUJWGPZSA-N 1 1 253.317 2.343 20 10 CECDMO COc1cc(C)cc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1O ZINC000125090389 649796705 /nfs/dbraw/zinc/79/67/05/649796705.db2.gz JEBTUQKNLZUWEG-TXEJJXNPSA-N 1 1 265.353 2.318 20 10 CECDMO [NH3+]C1CCC([NH2+]Cc2c([O-])cccc2Cl)CC1 ZINC000127320267 651177392 /nfs/dbraw/zinc/17/73/92/651177392.db2.gz AHCCCLAYKBUCEI-UHFFFAOYSA-N 1 1 254.761 2.405 20 10 CECDMO COC(=O)c1cnoc1C[NH2+][C@@H](C)c1ccccc1O ZINC000879650691 651335672 /nfs/dbraw/zinc/33/56/72/651335672.db2.gz NQZMCNWZXCVZCF-VIFPVBQESA-N 1 1 276.292 2.018 20 10 CECDMO C[C@H]([NH2+][C@@H](C)c1ccccc1O)c1nc(N)nc(Cl)n1 ZINC000879650490 651335732 /nfs/dbraw/zinc/33/57/32/651335732.db2.gz CVRBSYPTULZLNZ-YUMQZZPRSA-N 1 1 293.758 2.225 20 10 CECDMO [NH3+]C[C@@H]1CCCN(Cc2c(O)cccc2Cl)C1 ZINC000128318987 651410509 /nfs/dbraw/zinc/41/05/09/651410509.db2.gz MMEXEYRPWQUEHA-JTQLQIEISA-N 1 1 254.761 2.216 20 10 CECDMO C[NH2+]CC1CC[NH+](Cc2c([O-])cccc2Cl)CC1 ZINC000128323127 651418145 /nfs/dbraw/zinc/41/81/45/651418145.db2.gz WOTWQRADWSASGB-UHFFFAOYSA-N 1 1 268.788 2.477 20 10 CECDMO [NH3+]CCCOC1CC[NH+](Cc2c([O-])cccc2Cl)CC1 ZINC000128350283 651422745 /nfs/dbraw/zinc/42/27/45/651422745.db2.gz BKNZVCHTYLOEAQ-UHFFFAOYSA-N 1 1 298.814 2.375 20 10 CECDMO Cc1cc(O)c(CN2CC[NH+](C3CC3)CC2)cc1C ZINC000129094610 651800524 /nfs/dbraw/zinc/80/05/24/651800524.db2.gz MDUDNQSPBVCTIY-UHFFFAOYSA-N 1 1 260.381 2.289 20 10 CECDMO CC[C@H](C)[C@H](O)C[NH2+]Cc1cc(F)cc(F)c1O ZINC000882993709 652311899 /nfs/dbraw/zinc/31/18/99/652311899.db2.gz FPQZSWGYJXNWGR-QPUJVOFHSA-N 1 1 259.296 2.167 20 10 CECDMO CCOc1cccc(CN2CC[C@H]([NH3+])C[C@@H]2C)c1O ZINC000131431959 652425073 /nfs/dbraw/zinc/42/50/73/652425073.db2.gz LDKVJQVRXNNYJJ-AAEUAGOBSA-N 1 1 264.369 2.103 20 10 CECDMO COc1ccc(O)c(C[N@H+]2CCOC(C)(C)C2)c1 ZINC000132306186 652511877 /nfs/dbraw/zinc/51/18/77/652511877.db2.gz JSZKPKCVFMHNLE-UHFFFAOYSA-N 1 1 251.326 2.012 20 10 CECDMO COc1cccc(C[N@@H+](CCN(C)C)CC(C)C)c1O ZINC000132550733 652531628 /nfs/dbraw/zinc/53/16/28/652531628.db2.gz UCNFNQJFGCZPBO-UHFFFAOYSA-N 1 1 280.412 2.420 20 10 CECDMO CCc1cccc(C[N@@H+](CCF)CCOC)c1O ZINC000697056225 806134286 /nfs/dbraw/zinc/13/42/86/806134286.db2.gz SJTGXDIGSWLPCV-UHFFFAOYSA-N 1 1 255.333 2.373 20 10 CECDMO CC1(O)CC[NH+](Cc2cc(F)c(F)cc2O)CC1 ZINC001142508767 806609413 /nfs/dbraw/zinc/60/94/13/806609413.db2.gz KRCBXZAKQOOOLB-UHFFFAOYSA-N 1 1 257.280 2.017 20 10 CECDMO CC[N@H+](Cc1cc(F)c(F)cc1O)CC(C)(C)O ZINC001142527254 806620150 /nfs/dbraw/zinc/62/01/50/806620150.db2.gz QFORNOQSFYHCPU-UHFFFAOYSA-N 1 1 259.296 2.263 20 10 CECDMO CC[N@@H+](Cc1cc(F)c(F)cc1O)CC(C)(C)O ZINC001142527254 806620157 /nfs/dbraw/zinc/62/01/57/806620157.db2.gz QFORNOQSFYHCPU-UHFFFAOYSA-N 1 1 259.296 2.263 20 10 CECDMO C[C@H]1CN(Cc2c(O)cccc2Br)C[C@H]1C[NH3+] ZINC000708825995 803550417 /nfs/dbraw/zinc/55/04/17/803550417.db2.gz RZAOKLLCSRZLRR-VHSXEESVSA-N 1 1 299.212 2.181 20 10 CECDMO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccc(N(C)C)cc1Cl ZINC001140921642 803606187 /nfs/dbraw/zinc/60/61/87/803606187.db2.gz LJRNDDXAVSPIFZ-ZWNOBZJWSA-N 1 1 268.788 2.361 20 10 CECDMO C[C@@H]1C[C@H](O)CC[N@H+]1Cc1c([O-])ccc(F)c1F ZINC001233335288 807396278 /nfs/dbraw/zinc/39/62/78/807396278.db2.gz ORMFHPHWGZBUEX-RKDXNWHRSA-N 1 1 257.280 2.016 20 10 CECDMO C[C@@H]1C[C@H](O)CC[N@H+]1Cc1c(O)ccc(F)c1F ZINC001233335288 807396287 /nfs/dbraw/zinc/39/62/87/807396287.db2.gz ORMFHPHWGZBUEX-RKDXNWHRSA-N 1 1 257.280 2.016 20 10 CECDMO CN(C)c1ccc(C[N@@H+](C)CCO)c2ccccc21 ZINC001236253700 808028484 /nfs/dbraw/zinc/02/84/84/808028484.db2.gz OMMIENVCYXYTOF-UHFFFAOYSA-N 1 1 258.365 2.330 20 10 CECDMO CCCNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1O ZINC001203556383 808698972 /nfs/dbraw/zinc/69/89/72/808698972.db2.gz OFFAFQYRDDQWKM-AWEZNQCLSA-N 1 1 276.380 2.273 20 10 CECDMO Oc1cc2c(cc1O)C[N@H+](Cc1ccncc1)CCC2 ZINC001204081245 815274200 /nfs/dbraw/zinc/27/42/00/815274200.db2.gz KPQWJJWVDDFGRB-UHFFFAOYSA-N 1 1 270.332 2.441 20 10 CECDMO Oc1cc2c(cc1O)C[N@@H+](Cc1ccncc1)CCC2 ZINC001204081245 815274206 /nfs/dbraw/zinc/27/42/06/815274206.db2.gz KPQWJJWVDDFGRB-UHFFFAOYSA-N 1 1 270.332 2.441 20 10 CECDMO Oc1cccc(F)c1C[NH+]1CCC(N2CC(F)C2)CC1 ZINC001137838691 809810274 /nfs/dbraw/zinc/81/02/74/809810274.db2.gz HPXGJVKWCNLAQR-UHFFFAOYSA-N 1 1 282.334 2.149 20 10 CECDMO CCC[C@H](CCO)[NH2+]Cc1cc(F)cc(F)c1O ZINC000708394195 809928436 /nfs/dbraw/zinc/92/84/36/809928436.db2.gz RQFVGLNKTQHTPU-LLVKDONJSA-N 1 1 259.296 2.311 20 10 CECDMO CC[C@](C)(CCO)[NH2+]Cc1cc(F)cc(F)c1O ZINC000708454641 809930991 /nfs/dbraw/zinc/93/09/91/809930991.db2.gz QAOWNDGGELNTLB-CYBMUJFWSA-N 1 1 259.296 2.311 20 10 CECDMO CC(C)[C@](C)(O)C[NH2+]Cc1cc(F)cc(F)c1O ZINC000708455121 809931501 /nfs/dbraw/zinc/93/15/01/809931501.db2.gz TZABDEQCAIJTHC-CYBMUJFWSA-N 1 1 259.296 2.167 20 10 CECDMO C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2[O-])C[C@H]1C[NH3+] ZINC000708891569 809937608 /nfs/dbraw/zinc/93/76/08/809937608.db2.gz YUOCMBLFWYROMZ-MWLCHTKSSA-N 1 1 254.761 2.072 20 10 CECDMO C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2[O-])C[C@H]1C[NH3+] ZINC000708891569 809937610 /nfs/dbraw/zinc/93/76/10/809937610.db2.gz YUOCMBLFWYROMZ-MWLCHTKSSA-N 1 1 254.761 2.072 20 10 CECDMO Oc1ccccc1C[NH2+]Cc1n[nH]cc1Br ZINC000381533715 810495945 /nfs/dbraw/zinc/49/59/45/810495945.db2.gz DJDYMNWNMFNHKM-UHFFFAOYSA-N 1 1 282.141 2.168 20 10 CECDMO CC[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2O)C[C@H]1O ZINC000770380071 811920911 /nfs/dbraw/zinc/92/09/11/811920911.db2.gz LJKHXJOSKWXAJB-NOZJJQNGSA-N 1 1 255.745 2.248 20 10 CECDMO C[C@@H](CC[NH+](C)C)NCc1ccc2c(c1)CCCO2 ZINC000389078111 813247343 /nfs/dbraw/zinc/24/73/43/813247343.db2.gz ZWINNDMRZVBIFJ-ZDUSSCGKSA-N 1 1 262.397 2.441 20 10 CECDMO C[C@@H](CCN(C)C)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000389078111 813247346 /nfs/dbraw/zinc/24/73/46/813247346.db2.gz ZWINNDMRZVBIFJ-ZDUSSCGKSA-N 1 1 262.397 2.441 20 10 CECDMO CN(C)c1ccc(CN[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000217641289 813376145 /nfs/dbraw/zinc/37/61/45/813376145.db2.gz CNODLFNIZNNMRS-IRXDYDNUSA-N 1 1 273.424 2.469 20 10 CECDMO CN(C)c1ccc(C[NH2+][C@H]2CCN3CCCC[C@@H]23)cc1 ZINC000217641289 813376164 /nfs/dbraw/zinc/37/61/64/813376164.db2.gz CNODLFNIZNNMRS-IRXDYDNUSA-N 1 1 273.424 2.469 20 10 CECDMO CC(=O)c1cc(F)cc(C[N@H+]2C[C@H](C)C[C@H](CO)C2)c1O ZINC000398774040 813683455 /nfs/dbraw/zinc/68/34/55/813683455.db2.gz BCDLTAGMJSOHOC-PWSUYJOCSA-N 1 1 295.354 2.184 20 10 CECDMO COc1ccc(O)c(C[N@H+]2CCCOC[C@@H]2C)c1 ZINC000398962107 813689382 /nfs/dbraw/zinc/68/93/82/813689382.db2.gz ZXAVOKYOEMOLRK-NSHDSACASA-N 1 1 251.326 2.012 20 10 CECDMO CC(=O)c1cc(F)cc(C[N@@H+]2C[C@@H](O)CC[C@H]2C)c1O ZINC000399380158 813710304 /nfs/dbraw/zinc/71/03/04/813710304.db2.gz WHZCRXPGFYUQLV-RNCFNFMXSA-N 1 1 281.327 2.079 20 10 CECDMO Oc1cc(O)c(C[N@H+]2CC[C@@H](C(F)(F)F)C2)c(O)c1 ZINC001144509238 814097580 /nfs/dbraw/zinc/09/75/80/814097580.db2.gz QALVLRCGGWZLPL-SSDOTTSWSA-N 1 1 277.242 2.188 20 10 CECDMO C[C@@H]1CC[N@H+](Cc2c(O)cccc2F)CC[C@@H]1O ZINC001137831681 815690752 /nfs/dbraw/zinc/69/07/52/815690752.db2.gz JVCZKRHVHRANNH-MFKMUULPSA-N 1 1 253.317 2.124 20 10 CECDMO C[C@@H]1CC[N@@H+](Cc2c(O)cccc2F)CC[C@@H]1O ZINC001137831681 815690753 /nfs/dbraw/zinc/69/07/53/815690753.db2.gz JVCZKRHVHRANNH-MFKMUULPSA-N 1 1 253.317 2.124 20 10 CECDMO C[C@@H]1C[N@H+](Cc2c(O)cccc2F)CCC[C@@H]1O ZINC001137832867 815692760 /nfs/dbraw/zinc/69/27/60/815692760.db2.gz KOQATAAMTAGRJT-MFKMUULPSA-N 1 1 253.317 2.124 20 10 CECDMO C[C@@H]1C[N@@H+](Cc2c(O)cccc2F)CCC[C@@H]1O ZINC001137832867 815692765 /nfs/dbraw/zinc/69/27/65/815692765.db2.gz KOQATAAMTAGRJT-MFKMUULPSA-N 1 1 253.317 2.124 20 10 CECDMO C[N@H+]1C[C@H]2CCCN(Cc3c(O)cccc3F)[C@@H]2C1 ZINC001137838896 815695912 /nfs/dbraw/zinc/69/59/12/815695912.db2.gz MEERLONKGVDFAF-BXUZGUMPSA-N 1 1 264.344 2.057 20 10 CECDMO C[N@@H+]1C[C@H]2CCCN(Cc3c([O-])cccc3F)[C@@H]2C1 ZINC001137838896 815695918 /nfs/dbraw/zinc/69/59/18/815695918.db2.gz MEERLONKGVDFAF-BXUZGUMPSA-N 1 1 264.344 2.057 20 10 CECDMO CCC(=O)N(C)C1CC[NH+](Cc2cccc(F)c2O)CC1 ZINC001138130921 815735919 /nfs/dbraw/zinc/73/59/19/815735919.db2.gz LFBFIVXIVTZJLL-UHFFFAOYSA-N 1 1 294.370 2.364 20 10 CECDMO Cc1c(C[NH+]2CC(N(C)C)C2)c2ccccc2n1C ZINC001138252389 815754709 /nfs/dbraw/zinc/75/47/09/815754709.db2.gz FIXZZXINRPPBGV-UHFFFAOYSA-N 1 1 257.381 2.233 20 10 CECDMO Cc1c(C[N@H+]2CCN3C(=O)OC[C@H]3C2)c2ccccc2n1C ZINC001138258404 815756647 /nfs/dbraw/zinc/75/66/47/815756647.db2.gz RPVPEPPEOCQZPO-CYBMUJFWSA-N 1 1 299.374 2.123 20 10 CECDMO Cc1c(C[N@@H+]2CCO[C@@H]3C[C@@H]32)c2ccccc2n1C ZINC001138260113 815756857 /nfs/dbraw/zinc/75/68/57/815756857.db2.gz VCECJVUXOKMWLA-JKSUJKDBSA-N 1 1 256.349 2.460 20 10 CECDMO Cc1c(C[N@H+]2CCO[C@@H]3C[C@@H]32)c2ccccc2n1C ZINC001138260113 815756858 /nfs/dbraw/zinc/75/68/58/815756858.db2.gz VCECJVUXOKMWLA-JKSUJKDBSA-N 1 1 256.349 2.460 20 10 CECDMO CN1CCCc2cc(C[N@@H+]3CC[C@@](C)(O)[C@@H](F)C3)ccc21 ZINC001138354577 815773452 /nfs/dbraw/zinc/77/34/52/815773452.db2.gz NXLYXNKIMVMMOA-DLBZAZTESA-N 1 1 292.398 2.364 20 10 CECDMO CN1CCCc2cc(C[N@H+]3CC[C@@](C)(O)[C@@H](F)C3)ccc21 ZINC001138354577 815773460 /nfs/dbraw/zinc/77/34/60/815773460.db2.gz NXLYXNKIMVMMOA-DLBZAZTESA-N 1 1 292.398 2.364 20 10 CECDMO CC(=O)[C@H]1CC[N@H+](Cc2ccc3c(c2)CCCN3C)C1 ZINC001138359589 815777583 /nfs/dbraw/zinc/77/75/83/815777583.db2.gz UZONTVDBGPPRFC-INIZCTEOSA-N 1 1 272.392 2.480 20 10 CECDMO OCCOc1ccc(C[N@H+]2CCc3cccc(O)c3C2)cc1 ZINC001138797016 815903360 /nfs/dbraw/zinc/90/33/60/815903360.db2.gz WTPAHGAZUZRROX-UHFFFAOYSA-N 1 1 299.370 2.322 20 10 CECDMO Cc1cc(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)ccc1N(C)C ZINC001139673555 816077509 /nfs/dbraw/zinc/07/75/09/816077509.db2.gz SKDVICQKWPPSMD-IYBDPMFKSA-N 1 1 273.424 2.054 20 10 CECDMO Cc1cc(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)ccc1N(C)C ZINC001139673555 816077515 /nfs/dbraw/zinc/07/75/15/816077515.db2.gz SKDVICQKWPPSMD-IYBDPMFKSA-N 1 1 273.424 2.054 20 10 CECDMO Cc1cc(C[N@H+]2C[C@H]3CN(C)C[C@H]3C2)ccc1N(C)C ZINC001139673555 816077521 /nfs/dbraw/zinc/07/75/21/816077521.db2.gz SKDVICQKWPPSMD-IYBDPMFKSA-N 1 1 273.424 2.054 20 10 CECDMO Cc1cc(C[N@@H+]2C[C@H]3CN(C)C[C@H]3C2)ccc1N(C)C ZINC001139673555 816077526 /nfs/dbraw/zinc/07/75/26/816077526.db2.gz SKDVICQKWPPSMD-IYBDPMFKSA-N 1 1 273.424 2.054 20 10 CECDMO CC(C)[N@@H+](C)[C@H]1CCN(Cc2cc(F)ccc2O)C1 ZINC001140060094 816180711 /nfs/dbraw/zinc/18/07/11/816180711.db2.gz 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ZINC000876616156 650360558 /nfs/dbraw/zinc/36/05/58/650360558.db2.gz TYHWJRJMBNPSOM-UHFFFAOYSA-N 1 1 290.319 2.189 20 10 CECDMO CCOC(=O)c1cc(C[N@@H+](C)Cc2ccccc2O)on1 ZINC000876616156 650360560 /nfs/dbraw/zinc/36/05/60/650360560.db2.gz TYHWJRJMBNPSOM-UHFFFAOYSA-N 1 1 290.319 2.189 20 10 CECDMO C[C@H]([NH2+][C@@H]1C[C@H]2CCCCN2C1=O)c1ccc(F)cc1O ZINC000834916164 637988292 /nfs/dbraw/zinc/98/82/92/637988292.db2.gz VRIWYWBFONDWME-ZKYQVNSYSA-N 1 1 292.354 2.335 20 10 CECDMO CN(C)c1ccc(/C=C\C[N@H+]2CC[C@](C)(O)C2)cc1 ZINC000835027839 638030836 /nfs/dbraw/zinc/03/08/36/638030836.db2.gz GVCWHBHFRXMXPA-AWFCHZOYSA-N 1 1 260.381 2.223 20 10 CECDMO CCn1cnnc1C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835036246 638032991 /nfs/dbraw/zinc/03/29/91/638032991.db2.gz PCFUBUFQCKGQHM-WAYWQWQTSA-N 1 1 285.395 2.167 20 10 CECDMO CN(C)c1ccc(/C=C\C[N@@H+](C)C2CC(O)C2)cc1 ZINC000835047839 638038377 /nfs/dbraw/zinc/03/83/77/638038377.db2.gz LLPWLYFPIPIGJL-PLNGDYQASA-N 1 1 260.381 2.221 20 10 CECDMO CON1CCC([N@@H+](C)Cc2cc(C)c(C)cc2O)CC1 ZINC000835075966 638049950 /nfs/dbraw/zinc/04/99/50/638049950.db2.gz GLLKOLQJBNWLCC-UHFFFAOYSA-N 1 1 278.396 2.467 20 10 CECDMO CON1CCC([N@@H+](C)Cc2cccc(C)c2O)CC1 ZINC000835076775 638050130 /nfs/dbraw/zinc/05/01/30/638050130.db2.gz VKPHHJDCZBIYBH-UHFFFAOYSA-N 1 1 264.369 2.158 20 10 CECDMO CCn1ccc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)n1 ZINC000840956035 639599813 /nfs/dbraw/zinc/59/98/13/639599813.db2.gz HOLGEXQKOQDZRO-UHFFFAOYSA-N 1 1 276.359 2.398 20 10 CECDMO C[C@@H]1[C@@H](CO)CCC[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000840978246 639606761 /nfs/dbraw/zinc/60/67/61/639606761.db2.gz MQBPYAVYAYLSGJ-TZMCWYRMSA-N 1 1 280.387 2.485 20 10 CECDMO Oc1c(F)cc(Cl)cc1CN1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000841027715 639620276 /nfs/dbraw/zinc/62/02/76/639620276.db2.gz VFETVCLPGLUIHU-TVQRCGJNSA-N 1 1 284.762 2.369 20 10 CECDMO Oc1c(Cl)cccc1CN1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000841026759 639620524 /nfs/dbraw/zinc/62/05/24/639620524.db2.gz CDZVXCGPHTUUQD-GXFFZTMASA-N 1 1 266.772 2.229 20 10 CECDMO CN(C)c1ccc(/C=C\C[NH2+][C@@H](CN)C2CC2)cc1 ZINC000841027939 639621640 /nfs/dbraw/zinc/62/16/40/639621640.db2.gz GSPMMPFOQQDGGV-QGZUEGPWSA-N 1 1 259.397 2.093 20 10 CECDMO C[C@@H](CN)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000841067172 639642749 /nfs/dbraw/zinc/64/27/49/639642749.db2.gz WKBJGCCHJPPBIS-VIFPVBQESA-N 1 1 275.318 2.208 20 10 CECDMO C[C@H]([NH2+][C@@H]1C[C@@H](O)C1(C)C)c1ccc(F)cc1O ZINC000228848275 639662209 /nfs/dbraw/zinc/66/22/09/639662209.db2.gz FZTFEFUXECSAGL-ZEGGKSINSA-N 1 1 253.317 2.341 20 10 CECDMO C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(Cl)cc1[O-] ZINC000841748939 639857312 /nfs/dbraw/zinc/85/73/12/639857312.db2.gz CDNXSQDWIGNXNJ-NSHDSACASA-N 1 1 298.814 2.153 20 10 CECDMO C[C@H]([NH2+]CCCn1cncn1)c1ccc(Cl)cc1O ZINC000841749330 639857471 /nfs/dbraw/zinc/85/74/71/639857471.db2.gz CNLMRKJLAFCCOQ-JTQLQIEISA-N 1 1 280.759 2.378 20 10 CECDMO Oc1cc2c(cc1C[N@H+]1CC[C@@H]3OCC[C@@H]3C1)CCC2 ZINC000842623656 640123424 /nfs/dbraw/zinc/12/34/24/640123424.db2.gz XLJOEYPAIMMSIK-PBHICJAKSA-N 1 1 273.376 2.492 20 10 CECDMO C[C@@H]1CN(Cc2cccc(Br)c2O)C[C@H](C)[NH2+]1 ZINC000843049187 640253567 /nfs/dbraw/zinc/25/35/67/640253567.db2.gz IQXDHYHFLYFFDD-AOOOYVTPSA-N 1 1 299.212 2.337 20 10 CECDMO COc1cccc(O)c1CN(C)CC[C@H]([NH3+])C(C)C ZINC000843056616 640258778 /nfs/dbraw/zinc/25/87/78/640258778.db2.gz SQQYSDDGMNSTKO-ZDUSSCGKSA-N 1 1 266.385 2.206 20 10 CECDMO CCOc1ccc(O)c(CN2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000843117284 640287274 /nfs/dbraw/zinc/28/72/74/640287274.db2.gz OEEOBPKOFLWZPO-QGZVFWFLSA-N 1 1 290.407 2.366 20 10 CECDMO [O-]c1c(F)cccc1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000843118687 640288428 /nfs/dbraw/zinc/28/84/28/640288428.db2.gz MMIDOQYJGSMUPD-HNNXBMFYSA-N 1 1 264.344 2.107 20 10 CECDMO CN(C)c1ccc(CN2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000843123473 640290807 /nfs/dbraw/zinc/29/08/07/640290807.db2.gz JZSWGZIGMXROMT-KRWDZBQOSA-N 1 1 273.424 2.328 20 10 CECDMO C[N@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1(C[NH3+])CCC1 ZINC000843125405 640292166 /nfs/dbraw/zinc/29/21/66/640292166.db2.gz VQAKRNPLZJHSMT-UHFFFAOYSA-N 1 1 299.758 2.267 20 10 CECDMO C[N@@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1(C[NH3+])CCC1 ZINC000843125405 640292167 /nfs/dbraw/zinc/29/21/67/640292167.db2.gz VQAKRNPLZJHSMT-UHFFFAOYSA-N 1 1 299.758 2.267 20 10 CECDMO CN(C)c1ccc(C[N@H+]2CC[C@@H](Nc3ncccn3)C2)cc1 ZINC000843414900 640419438 /nfs/dbraw/zinc/41/94/38/640419438.db2.gz FBQVKKMCJGAXTA-OAHLLOKOSA-N 1 1 297.406 2.229 20 10 CECDMO Cc1cccc(C[N@H+]2CCO[C@@]3(CCSC3)C2)c1O ZINC000843418676 640421486 /nfs/dbraw/zinc/42/14/86/640421486.db2.gz WLQDBLVYZOJBCN-HNNXBMFYSA-N 1 1 279.405 2.409 20 10 CECDMO C[C@@H]([NH2+]CC[C@@]1(O)CCOC1)c1ccc(Cl)cc1O ZINC000846193455 641218914 /nfs/dbraw/zinc/21/89/14/641218914.db2.gz LVDHWODHYQDLKH-QMTHXVAHSA-N 1 1 285.771 2.238 20 10 CECDMO CCOc1ccc(CN2CC[C@@H]([NH3+])C[C@H]2C)c(O)c1 ZINC000846699698 641400854 /nfs/dbraw/zinc/40/08/54/641400854.db2.gz VVZUCDTVXGHNJA-DGCLKSJQSA-N 1 1 264.369 2.103 20 10 CECDMO CC(=O)N1CC[C@@H](C[N@H+](C)Cc2cccc(C)c2O)C1 ZINC000180783919 641485916 /nfs/dbraw/zinc/48/59/16/641485916.db2.gz NMFYZLLIONZPPV-AWEZNQCLSA-N 1 1 276.380 2.001 20 10 CECDMO CCOc1cccc(C[N@@H+]2CCC[C@@H](C)[C@H]2CN)c1O ZINC000250516604 641546369 /nfs/dbraw/zinc/54/63/69/641546369.db2.gz OROJWMQXNUNPKK-TZMCWYRMSA-N 1 1 278.396 2.350 20 10 CECDMO CCOc1cccc(C[N@H+]2CCC[C@@H](C)[C@H]2CN)c1O ZINC000250516604 641546375 /nfs/dbraw/zinc/54/63/75/641546375.db2.gz OROJWMQXNUNPKK-TZMCWYRMSA-N 1 1 278.396 2.350 20 10 CECDMO C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2c([O-])cccc2Cl)C1 ZINC000848561855 642054699 /nfs/dbraw/zinc/05/46/99/642054699.db2.gz CWYCLYVEUDJAKV-PHIMTYICSA-N 1 1 268.788 2.475 20 10 CECDMO CCC(=O)N1CCC[N@@H+](Cc2cccc(CC)c2O)CC1 ZINC000848882464 642168417 /nfs/dbraw/zinc/16/84/17/642168417.db2.gz QHEZGFIIARYVPF-UHFFFAOYSA-N 1 1 290.407 2.399 20 10 CECDMO Cn1c(Cl)ncc1C[N@@H+](C)Cc1ccccc1O ZINC000848882565 642169621 /nfs/dbraw/zinc/16/96/21/642169621.db2.gz UCPALSGVHHWLEO-UHFFFAOYSA-N 1 1 265.744 2.411 20 10 CECDMO CCc1cccc(C[N@H+]2CC(=O)N[C@@H]3CCCC[C@H]32)c1O ZINC000848886196 642170209 /nfs/dbraw/zinc/17/02/09/642170209.db2.gz UXCHVBCAZLZLEQ-HUUCEWRRSA-N 1 1 288.391 2.198 20 10 CECDMO CCc1cccc(C[N@@H+](CC)[C@@H](C)CS(C)(=O)=O)c1O ZINC000848887396 642172102 /nfs/dbraw/zinc/17/21/02/642172102.db2.gz VKKLRYAXBAIFNG-LBPRGKRZSA-N 1 1 299.436 2.210 20 10 CECDMO CCc1cccc(C[N@H+](CC)[C@@H](C)CS(C)(=O)=O)c1O ZINC000848887396 642172104 /nfs/dbraw/zinc/17/21/04/642172104.db2.gz VKKLRYAXBAIFNG-LBPRGKRZSA-N 1 1 299.436 2.210 20 10 CECDMO CCc1cccc(C[NH2+]CCCN(C)CCOC)c1O ZINC000848892618 642174223 /nfs/dbraw/zinc/17/42/23/642174223.db2.gz CDXLBQPNEQBERA-UHFFFAOYSA-N 1 1 280.412 2.013 20 10 CECDMO CCOCCOC1C[NH+](Cc2cccc(CC)c2O)C1 ZINC000848900060 642179308 /nfs/dbraw/zinc/17/93/08/642179308.db2.gz AIVCKHKPXPOVTR-UHFFFAOYSA-N 1 1 279.380 2.192 20 10 CECDMO CCc1cccc(C[N@H+]2CCOC[C@@H]2[C@H]2CCCO2)c1O ZINC000848910160 642185426 /nfs/dbraw/zinc/18/54/26/642185426.db2.gz HLEDPOZKDFLBJP-HZPDHXFCSA-N 1 1 291.391 2.334 20 10 CECDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(C)cc2O)[C@H]1C ZINC000877466971 650732662 /nfs/dbraw/zinc/73/26/62/650732662.db2.gz UTBPCVCZWGPUJW-WCQYABFASA-N 1 1 263.337 2.084 20 10 CECDMO Cc1ccc(C[N@H+]2CC[C@@H](C)[S@](=O)CC2)c(O)c1 ZINC000877476769 650739787 /nfs/dbraw/zinc/73/97/87/650739787.db2.gz MWHNYQITGBLTMJ-KZULUSFZSA-N 1 1 267.394 2.044 20 10 CECDMO Cc1ccc(C[N@@H+]2CC[C@@H](C)[S@](=O)CC2)c(O)c1 ZINC000877476769 650739790 /nfs/dbraw/zinc/73/97/90/650739790.db2.gz MWHNYQITGBLTMJ-KZULUSFZSA-N 1 1 267.394 2.044 20 10 CECDMO CCOC(=O)[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000084950147 642363941 /nfs/dbraw/zinc/36/39/41/642363941.db2.gz XLWMPEIUPZAYSH-CQSZACIVSA-N 1 1 276.380 2.138 20 10 CECDMO C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(F)c(F)c1[O-] ZINC000877531922 650772146 /nfs/dbraw/zinc/77/21/46/650772146.db2.gz RSRUKNMUWJAFHG-ZWNOBZJWSA-N 1 1 284.350 2.442 20 10 CECDMO C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(F)c(F)c1[O-] ZINC000877531922 650772147 /nfs/dbraw/zinc/77/21/47/650772147.db2.gz RSRUKNMUWJAFHG-ZWNOBZJWSA-N 1 1 284.350 2.442 20 10 CECDMO C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000877531922 650772149 /nfs/dbraw/zinc/77/21/49/650772149.db2.gz RSRUKNMUWJAFHG-ZWNOBZJWSA-N 1 1 284.350 2.442 20 10 CECDMO C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000877531922 650772151 /nfs/dbraw/zinc/77/21/51/650772151.db2.gz RSRUKNMUWJAFHG-ZWNOBZJWSA-N 1 1 284.350 2.442 20 10 CECDMO C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2O)c2ncnn21 ZINC000850351405 642677932 /nfs/dbraw/zinc/67/79/32/642677932.db2.gz BCLSRAVUHGHHLY-KCJUWKMLSA-N 1 1 278.743 2.433 20 10 CECDMO CCO[C@H]1C[C@H]([NH2+][C@H](C)c2cc(C(=O)OC)ccc2O)C1 ZINC000850515603 642737028 /nfs/dbraw/zinc/73/70/28/642737028.db2.gz ZLVFABADBJZFLT-RAIGVLPGSA-N 1 1 293.363 2.397 20 10 CECDMO CCn1cc(C[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)nn1 ZINC000850522521 642739335 /nfs/dbraw/zinc/73/93/35/642739335.db2.gz SUEQVYRHWVLSIX-JOYOIKCWSA-N 1 1 290.342 2.481 20 10 CECDMO C[N@@H+](Cc1ccc(C(N)=O)cc1)Cc1ccccc1O ZINC000109773050 642925767 /nfs/dbraw/zinc/92/57/67/642925767.db2.gz GOFXMPBTMFGEBR-UHFFFAOYSA-N 1 1 270.332 2.123 20 10 CECDMO CCN(CC)c1ccc(C[N@@H+](C)C[C@@H]2CNC(=O)C2)cc1 ZINC000851717007 643123443 /nfs/dbraw/zinc/12/34/43/643123443.db2.gz UCCDQHWSUBWZOF-HNNXBMFYSA-N 1 1 289.423 2.101 20 10 CECDMO O=C1C[C@@H](C[N@H+](Cc2ccccc2O)C2CCCC2)CN1 ZINC000851771601 643154340 /nfs/dbraw/zinc/15/43/40/643154340.db2.gz JZFJWXYFHLNHLL-CYBMUJFWSA-N 1 1 288.391 2.273 20 10 CECDMO COc1cc(C[NH2+]Cc2ccc(OC)c(C)c2)on1 ZINC000877635349 650826431 /nfs/dbraw/zinc/82/64/31/650826431.db2.gz NTGRDZDQXSACNV-UHFFFAOYSA-N 1 1 262.309 2.290 20 10 CECDMO COc1cccc(C[N@@H+]2CC[S@@](=O)C(C)(C)CC2)c1O ZINC000322092372 643433841 /nfs/dbraw/zinc/43/38/41/643433841.db2.gz HSGZWOBYHLZVQO-HXUWFJFHSA-N 1 1 297.420 2.134 20 10 CECDMO COc1cccc(C[N@H+]2CC[S@@](=O)C(C)(C)CC2)c1O ZINC000322092372 643433846 /nfs/dbraw/zinc/43/38/46/643433846.db2.gz 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CECDMO C[NH+]1CC[C@]2(CC[N@H+](Cc3c(F)ccc(F)c3[O-])C2)C1 ZINC001139686186 816083612 /nfs/dbraw/zinc/08/36/12/816083612.db2.gz QLGUTWLKKWQSTA-HNNXBMFYSA-N 1 1 282.334 2.198 20 10 CECDMO C[NH+]1CC[C@]2(CC[N@@H+](Cc3c(F)ccc(F)c3[O-])C2)C1 ZINC001139686186 816083614 /nfs/dbraw/zinc/08/36/14/816083614.db2.gz QLGUTWLKKWQSTA-HNNXBMFYSA-N 1 1 282.334 2.198 20 10 CECDMO COc1ccc(C[N@H+](C)Cc2ccccc2O)c(OC)n1 ZINC001139922215 816141565 /nfs/dbraw/zinc/14/15/65/816141565.db2.gz PKTMNVVBVIQLTA-UHFFFAOYSA-N 1 1 288.347 2.436 20 10 CECDMO COc1ccc(C[N@@H+](C)Cc2ccccc2O)c(OC)n1 ZINC001139922215 816141568 /nfs/dbraw/zinc/14/15/68/816141568.db2.gz PKTMNVVBVIQLTA-UHFFFAOYSA-N 1 1 288.347 2.436 20 10 CECDMO CC[N@H+](CCN1CCCC1)Cc1cc(F)ccc1O ZINC001140055198 816179235 /nfs/dbraw/zinc/17/92/35/816179235.db2.gz NKEBXWUQGSLCLG-UHFFFAOYSA-N 1 1 266.360 2.449 20 10 CECDMO CC[N@@H+](CCN1CCCC1)Cc1cc(F)ccc1O ZINC001140055198 816179239 /nfs/dbraw/zinc/17/92/39/816179239.db2.gz NKEBXWUQGSLCLG-UHFFFAOYSA-N 1 1 266.360 2.449 20 10 CECDMO Cc1ccc(C)c(C[NH+]2CC(N3CCCC3)C2)c1O ZINC001140178942 816204886 /nfs/dbraw/zinc/20/48/86/816204886.db2.gz DKFMAEIUAHGHSA-UHFFFAOYSA-N 1 1 260.381 2.289 20 10 CECDMO CC[N@@H+](CCC(=O)OC)Cc1c(C)ccc(C)c1O ZINC001140184633 816205829 /nfs/dbraw/zinc/20/58/29/816205829.db2.gz CGRBNGNICMZHCZ-UHFFFAOYSA-N 1 1 265.353 2.394 20 10 CECDMO Cc1ccc(C)c(C[N@@H+]2CCC[C@H](C(=O)N(C)C)C2)c1O ZINC001140180153 816206367 /nfs/dbraw/zinc/20/63/67/816206367.db2.gz TXTPONTWCLVTPK-AWEZNQCLSA-N 1 1 290.407 2.309 20 10 CECDMO CC[N@@H+](CCC(=O)OC)Cc1ccc(Cl)cc1O ZINC001140464058 816259519 /nfs/dbraw/zinc/25/95/19/816259519.db2.gz AJVQJHDVCPQUOM-UHFFFAOYSA-N 1 1 271.744 2.431 20 10 CECDMO O=C1NC[C@]2(CCC[N@H+](Cc3ccc(Cl)cc3O)C2)O1 ZINC001140464744 816259685 /nfs/dbraw/zinc/25/96/85/816259685.db2.gz BTLOOUQBIRBXRY-AWEZNQCLSA-N 1 1 296.754 2.120 20 10 CECDMO [O-]c1cc(F)cc(F)c1C[N@H+]1CCC[C@@]2(CCO2)C1 ZINC001140583646 816293376 /nfs/dbraw/zinc/29/33/76/816293376.db2.gz PPXWASKVZNRJLI-CQSZACIVSA-N 1 1 269.291 2.425 20 10 CECDMO [O-]c1cc(F)cc(F)c1CN1CCC[C@@]2(CCO2)C1 ZINC001140583646 816293377 /nfs/dbraw/zinc/29/33/77/816293377.db2.gz PPXWASKVZNRJLI-CQSZACIVSA-N 1 1 269.291 2.425 20 10 CECDMO CCC[NH+]1C[C@H]2C[NH+](Cc3c([O-])cc(F)cc3F)C[C@@H]2C1 ZINC001140585476 816295383 /nfs/dbraw/zinc/29/53/83/816295383.db2.gz JVUMRQNLJCBNLR-RYUDHWBXSA-N 1 1 296.361 2.444 20 10 CECDMO Cc1ccc(O)c(C[N@H+]2CC[C@H](Oc3cnccn3)C2)c1 ZINC001140624104 816306203 /nfs/dbraw/zinc/30/62/03/816306203.db2.gz GICBWRFJDSXUAF-AWEZNQCLSA-N 1 1 285.347 2.144 20 10 CECDMO Cc1c(O)ccc(C[N@H+]2CCC(=O)[C@H](C)CC2)c1O ZINC001140744382 816339960 /nfs/dbraw/zinc/33/99/60/816339960.db2.gz VVVRLCOIYSTAPQ-SNVBAGLBSA-N 1 1 263.337 2.207 20 10 CECDMO Cc1c(O)ccc(C[N@H+]2C[C@@H]3COC[C@H](C2)C3(F)F)c1O ZINC001140747973 816341026 /nfs/dbraw/zinc/34/10/26/816341026.db2.gz PTLLBNXJMGGKKI-TXEJJXNPSA-N 1 1 299.317 2.120 20 10 CECDMO COC(=O)C[C@@H]1CCC[N@@H+](Cc2ccc(O)c(C)c2O)C1 ZINC001140747961 816341040 /nfs/dbraw/zinc/34/10/40/816341040.db2.gz PLAMWVJQTHHCGK-LBPRGKRZSA-N 1 1 293.363 2.181 20 10 CECDMO Cc1c(O)ccc(C[N@@H+]2CC[C@@H](OC(C)C)C2)c1O ZINC001140748021 816341790 /nfs/dbraw/zinc/34/17/90/816341790.db2.gz RNPHCMZPXIFWNG-CYBMUJFWSA-N 1 1 265.353 2.406 20 10 CECDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@H](OC)C2)c(O)c1 ZINC001140850759 816383478 /nfs/dbraw/zinc/38/34/78/816383478.db2.gz STHOADYBVTYQPE-OAHLLOKOSA-N 1 1 278.396 2.459 20 10 CECDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@H](CO)C2)c(O)c1 ZINC001140855149 816383774 /nfs/dbraw/zinc/38/37/74/816383774.db2.gz OZTICNANJIUYMY-CYBMUJFWSA-N 1 1 278.396 2.053 20 10 CECDMO CCN(CC)c1ccc(C[N@H+]2CCN3CC[C@H]3C2)c(O)c1 ZINC001140856833 816385624 /nfs/dbraw/zinc/38/56/24/816385624.db2.gz OAOKJNWDNJFXIJ-INIZCTEOSA-N 1 1 289.423 2.128 20 10 CECDMO CCN(CC)c1ccc(CN2CC[N@@H+]3CC[C@H]3C2)c(O)c1 ZINC001140856833 816385633 /nfs/dbraw/zinc/38/56/33/816385633.db2.gz OAOKJNWDNJFXIJ-INIZCTEOSA-N 1 1 289.423 2.128 20 10 CECDMO CCN(CC)c1ccc(CN2CC[N@H+]3CC[C@H]3C2)c(O)c1 ZINC001140856833 816385638 /nfs/dbraw/zinc/38/56/38/816385638.db2.gz OAOKJNWDNJFXIJ-INIZCTEOSA-N 1 1 289.423 2.128 20 10 CECDMO CCOC(=O)[C@]12C[C@H]1CC[N@@H+]2Cc1ccc(C)cc1O ZINC001140947837 816422546 /nfs/dbraw/zinc/42/25/46/816422546.db2.gz HTPIGFRVQRBHCP-CJNGLKHVSA-N 1 1 275.348 2.228 20 10 CECDMO CCOC(=O)[C@]12C[C@H]1CC[N@H+]2Cc1ccc(C)cc1O ZINC001140947837 816422552 /nfs/dbraw/zinc/42/25/52/816422552.db2.gz HTPIGFRVQRBHCP-CJNGLKHVSA-N 1 1 275.348 2.228 20 10 CECDMO Cc1ccc(C[N@H+]2CC[C@@H](Oc3nccnc3C)C2)c(O)c1 ZINC001140954446 816423535 /nfs/dbraw/zinc/42/35/35/816423535.db2.gz RTENHOUFTQSPQY-OAHLLOKOSA-N 1 1 299.374 2.452 20 10 CECDMO Cc1cnc(O[C@@H]2CC[N@H+](Cc3ccc(C)cc3O)C2)nc1 ZINC001140953777 816424668 /nfs/dbraw/zinc/42/46/68/816424668.db2.gz GQJITBNXGONZOL-OAHLLOKOSA-N 1 1 299.374 2.452 20 10 CECDMO COc1cc(O)c(C[N@H+]2CCCO[C@H](C)C2)c(OC)c1 ZINC001141031562 816450408 /nfs/dbraw/zinc/45/04/08/816450408.db2.gz HZAVJMPXTXBOAS-LLVKDONJSA-N 1 1 281.352 2.020 20 10 CECDMO COC[C@@H]1CCC[N@H+]1Cc1c(O)cc(OC)cc1OC ZINC001141031537 816450929 /nfs/dbraw/zinc/45/09/29/816450929.db2.gz HLCRGGNHEOISJT-NSHDSACASA-N 1 1 281.352 2.020 20 10 CECDMO COc1cc(O)c(C[N@H+]2CCC[C@](C)(O)CC2)c(OC)c1 ZINC001141032356 816452846 /nfs/dbraw/zinc/45/28/46/816452846.db2.gz ZJXLEYCUCGYVDK-INIZCTEOSA-N 1 1 295.379 2.146 20 10 CECDMO COc1cc(O)c(C[NH+]2CC(C(F)F)C2)c(OC)c1 ZINC001141033089 816453001 /nfs/dbraw/zinc/45/30/01/816453001.db2.gz ZLYMCCGKCJLKLK-UHFFFAOYSA-N 1 1 273.279 2.106 20 10 CECDMO COCC[N@@H+](C)Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141074656 816468651 /nfs/dbraw/zinc/46/86/51/816468651.db2.gz PZKHRLORHWEHSM-UHFFFAOYSA-N 1 1 274.408 2.464 20 10 CECDMO CN1CCOc2cc(C[N@H+]3CC[C@]4(CCCO4)C3)ccc21 ZINC001141141037 816485999 /nfs/dbraw/zinc/48/59/99/816485999.db2.gz SKARUEWOKKOPMZ-QGZVFWFLSA-N 1 1 288.391 2.270 20 10 CECDMO Cc1nc([C@H]2CCC[N@@H+](Cc3cc(O)ccc3O)C2)no1 ZINC001141156696 816490225 /nfs/dbraw/zinc/49/02/25/816490225.db2.gz QVPXPTUUXQFDIV-NSHDSACASA-N 1 1 289.335 2.169 20 10 CECDMO C[C@H]1C[C@H]2C[N@@H+](Cc3cc(O)ccc3O)CC[C@H]2O1 ZINC001141158127 816490551 /nfs/dbraw/zinc/49/05/51/816490551.db2.gz VDMDSFKUKVCNHP-ITDIGPHOSA-N 1 1 263.337 2.097 20 10 CECDMO CC[N@H+]1CCN(Cc2cc(O)ccc2O)C(C)(C)C1 ZINC001141163231 816493778 /nfs/dbraw/zinc/49/37/78/816493778.db2.gz WLOKOXQMXKUXLN-UHFFFAOYSA-N 1 1 264.369 2.014 20 10 CECDMO CCN1CC[N@H+](Cc2cc(O)ccc2O)C(C)(C)C1 ZINC001141163231 816493782 /nfs/dbraw/zinc/49/37/82/816493782.db2.gz WLOKOXQMXKUXLN-UHFFFAOYSA-N 1 1 264.369 2.014 20 10 CECDMO CCN1CC[N@@H+](Cc2cc(O)ccc2O)C(C)(C)C1 ZINC001141163231 816493784 /nfs/dbraw/zinc/49/37/84/816493784.db2.gz WLOKOXQMXKUXLN-UHFFFAOYSA-N 1 1 264.369 2.014 20 10 CECDMO COC(=O)[C@H]1CCC[N@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001142508523 816676858 /nfs/dbraw/zinc/67/68/58/816676858.db2.gz BTTHMSAQVLXLCG-VIFPVBQESA-N 1 1 285.290 2.055 20 10 CECDMO COC(=O)[C@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001142508523 816676861 /nfs/dbraw/zinc/67/68/61/816676861.db2.gz BTTHMSAQVLXLCG-VIFPVBQESA-N 1 1 285.290 2.055 20 10 CECDMO CN(C)c1ccc(C[N@H+]2CCCC[C@](F)(C[NH3+])C2)c(O)c1 ZINC001206360743 816824699 /nfs/dbraw/zinc/82/46/99/816824699.db2.gz AIGLDYLORCNPLR-INIZCTEOSA-N 1 1 295.402 2.111 20 10 CECDMO CN(C)c1ccc(CN2CCCC[C@](F)(C[NH3+])C2)c(O)c1 ZINC001206360743 816824705 /nfs/dbraw/zinc/82/47/05/816824705.db2.gz AIGLDYLORCNPLR-INIZCTEOSA-N 1 1 295.402 2.111 20 10 CECDMO CCN1CCN(c2ccc(C[NH2+]C(C)C)cc2F)CC1 ZINC000034824225 361795929 /nfs/dbraw/zinc/79/59/29/361795929.db2.gz KDPOQSVYMRXAAY-UHFFFAOYSA-N 1 1 279.403 2.466 20 10 CECDMO Cc1ccc(O)c(C[N@H+]2CCCC[C@H]2[C@H]2CNC(=O)C2)c1 ZINC000092105814 344177516 /nfs/dbraw/zinc/17/75/16/344177516.db2.gz RDLMCRHBKVBAIQ-HIFRSBDPSA-N 1 1 288.391 2.191 20 10 CECDMO CCOc1cccc(CN2CC[N@H+]3CCC[C@@H]3C2)c1O ZINC000179952880 344505180 /nfs/dbraw/zinc/50/51/80/344505180.db2.gz OYTQYSQNKXJAOH-CQSZACIVSA-N 1 1 276.380 2.071 20 10 CECDMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2cc(C)ccc2O)C1 ZINC000092456329 364077699 /nfs/dbraw/zinc/07/76/99/364077699.db2.gz TZBSKXVFCHPAQG-CYBMUJFWSA-N 1 1 277.364 2.476 20 10 CECDMO Oc1c(F)cccc1CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000160247850 366986002 /nfs/dbraw/zinc/98/60/02/366986002.db2.gz BHUKWSKFUJVWCW-CYBMUJFWSA-N 1 1 264.344 2.201 20 10 CECDMO Oc1c(F)cccc1CN1CC[N@H+]2CCCC[C@@H]2C1 ZINC000160247850 366986009 /nfs/dbraw/zinc/98/60/09/366986009.db2.gz BHUKWSKFUJVWCW-CYBMUJFWSA-N 1 1 264.344 2.201 20 10 CECDMO C[C@@H](O)C[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1O ZINC000180170867 368369541 /nfs/dbraw/zinc/36/95/41/368369541.db2.gz MZHHCRRAQOXSQF-MFKMUULPSA-N 1 1 253.317 2.267 20 10 CECDMO CCOc1ccc(O)c(C[N@@H+]2CCC[C@]23CCOC3=O)c1 ZINC000190040656 369591232 /nfs/dbraw/zinc/59/12/32/369591232.db2.gz WDAQPSLIRBWMGJ-MRXNPFEDSA-N 1 1 291.347 2.072 20 10 CECDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@]23CCOC3=O)c1 ZINC000190040656 369591240 /nfs/dbraw/zinc/59/12/40/369591240.db2.gz WDAQPSLIRBWMGJ-MRXNPFEDSA-N 1 1 291.347 2.072 20 10 CECDMO COc1cccc(C[N@H+]2CCS[C@@H]3COCC[C@H]32)c1O ZINC000246779274 371009019 /nfs/dbraw/zinc/00/90/19/371009019.db2.gz QCXHNQYGNVSMGD-TZMCWYRMSA-N 1 1 295.404 2.107 20 10 CECDMO CN(C)c1ccc(C[N@H+]2CCS[C@H]3COCC[C@H]32)cc1 ZINC000246783548 371009955 /nfs/dbraw/zinc/00/99/55/371009955.db2.gz QHLHAPBHPGJOGN-CVEARBPZSA-N 1 1 292.448 2.459 20 10 CECDMO CN(C)c1ccc(C[N@H+]2CCCC[C@@H]2CCO)cc1 ZINC000270997754 373056641 /nfs/dbraw/zinc/05/66/41/373056641.db2.gz KFLZULXQIRONMG-MRXNPFEDSA-N 1 1 262.397 2.490 20 10 CECDMO COc1cc(O)c(C[N@@H+](CCO)C2CCCC2)cc1OC ZINC000271772721 373200920 /nfs/dbraw/zinc/20/09/20/373200920.db2.gz FPHOYYSLYZVXOS-UHFFFAOYSA-N 1 1 295.379 2.146 20 10 CECDMO CN(C)c1ccc(C[N@@H+](C)CCc2cnccn2)cc1F ZINC000272719879 373630454 /nfs/dbraw/zinc/63/04/54/373630454.db2.gz FBJZTZSAAPVSDI-UHFFFAOYSA-N 1 1 288.370 2.356 20 10 CECDMO CC[C@H]1C[N@@H+](Cc2cccc(C)c2O)C[C@]2(CCOC2)O1 ZINC000370210474 373607631 /nfs/dbraw/zinc/60/76/31/373607631.db2.gz QEFFUGOZUBLGDK-RDJZCZTQSA-N 1 1 291.391 2.471 20 10 CECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCC[C@H](C)CO)c1 ZINC000273458019 373758108 /nfs/dbraw/zinc/75/81/08/373758108.db2.gz HMOCWVUVROLPPV-NWDGAFQWSA-N 1 1 295.379 2.238 20 10 CECDMO CC(C)N1C[C@H]([NH2+][C@@H](C)c2ccc(F)cc2O)CC1=O ZINC000273461795 373760673 /nfs/dbraw/zinc/76/06/73/373760673.db2.gz IHDAUCQFXPGTEF-CMPLNLGQSA-N 1 1 280.343 2.191 20 10 CECDMO CCOc1ccc(O)c(CN2CC[C@@H]3CC[N@@H+](C)[C@@H]3C2)c1 ZINC000371487910 373899750 /nfs/dbraw/zinc/89/97/50/373899750.db2.gz IACQDRYRBXWUMV-XJKSGUPXSA-N 1 1 290.407 2.317 20 10 CECDMO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H]3CCN(C)[C@@H]3C2)c1 ZINC000371487910 373899754 /nfs/dbraw/zinc/89/97/54/373899754.db2.gz IACQDRYRBXWUMV-XJKSGUPXSA-N 1 1 290.407 2.317 20 10 CECDMO CCOc1ccc(O)c(C[N@H+]2CC[C@@H]3CCN(C)[C@@H]3C2)c1 ZINC000371487910 373899759 /nfs/dbraw/zinc/89/97/59/373899759.db2.gz IACQDRYRBXWUMV-XJKSGUPXSA-N 1 1 290.407 2.317 20 10 CECDMO CCOc1ccc(O)c(CN2CC[C@@H]3CC[N@@H+](C)[C@H]3C2)c1 ZINC000371487907 373900972 /nfs/dbraw/zinc/90/09/72/373900972.db2.gz IACQDRYRBXWUMV-BBRMVZONSA-N 1 1 290.407 2.317 20 10 CECDMO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H]3CCN(C)[C@H]3C2)c1 ZINC000371487907 373900984 /nfs/dbraw/zinc/90/09/84/373900984.db2.gz IACQDRYRBXWUMV-BBRMVZONSA-N 1 1 290.407 2.317 20 10 CECDMO CCOc1ccc(O)c(C[N@H+]2CC[C@@H]3CCN(C)[C@H]3C2)c1 ZINC000371487907 373900991 /nfs/dbraw/zinc/90/09/91/373900991.db2.gz IACQDRYRBXWUMV-BBRMVZONSA-N 1 1 290.407 2.317 20 10 CECDMO COC(C[N@H+]1CC=C(c2ccc(N(C)C)cc2)C1)OC ZINC000372550875 374154343 /nfs/dbraw/zinc/15/43/43/374154343.db2.gz FPVSAKCLYGMVCQ-UHFFFAOYSA-N 1 1 276.380 2.071 20 10 CECDMO Cc1cccc(C[N@H+]2CCOC[C@@H]2[C@@H]2CCCC2=O)c1O ZINC000375472599 374660614 /nfs/dbraw/zinc/66/06/14/374660614.db2.gz WZIBSEGEINBOLY-LSDHHAIUSA-N 1 1 289.375 2.271 20 10 CECDMO Cc1cc(C[NH2+][C@H](C)c2ccc(F)cc2O)n(C)n1 ZINC000284408857 375827873 /nfs/dbraw/zinc/82/78/73/375827873.db2.gz QDKXUSMGNGGTMC-SNVBAGLBSA-N 1 1 263.316 2.424 20 10 CECDMO CC[C@H]([NH2+]CCn1ccnc1)c1ccc(F)cc1O ZINC000285694354 375842278 /nfs/dbraw/zinc/84/22/78/375842278.db2.gz OOTSBTGOSPFMLS-ZDUSSCGKSA-N 1 1 263.316 2.469 20 10 CECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCCCO2)c1 ZINC000273422119 284566013 /nfs/dbraw/zinc/56/60/13/284566013.db2.gz SLVCIJVRSVKYPT-WCQYABFASA-N 1 1 293.363 2.399 20 10 CECDMO C[N@@H+](Cc1c(O)cccc1Cl)CC(C)(C)CO ZINC000294720123 378015564 /nfs/dbraw/zinc/01/55/64/378015564.db2.gz FKEYKOKTZGJCNE-UHFFFAOYSA-N 1 1 257.761 2.496 20 10 CECDMO CN(C)c1ccc(C[NH2+][C@H]2CCn3ccnc32)cc1 ZINC000294294588 377970272 /nfs/dbraw/zinc/97/02/72/377970272.db2.gz ZJXGGXMINOVNBF-AWEZNQCLSA-N 1 1 256.353 2.184 20 10 CECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCC(C)(C)CO)c1 ZINC000296262361 378468483 /nfs/dbraw/zinc/46/84/83/378468483.db2.gz DIXHCLAOSCAEFO-NSHDSACASA-N 1 1 295.379 2.238 20 10 CECDMO CC[C@H](O)C[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000264471524 394639544 /nfs/dbraw/zinc/63/95/44/394639544.db2.gz RVVDFGGDCDTABY-INIZCTEOSA-N 1 1 262.397 2.488 20 10 CECDMO C[C@H](CNC(=O)N(C)Cc1ccccc1O)[N@@H+](C)C1CC1 ZINC000105267343 394721923 /nfs/dbraw/zinc/72/19/23/394721923.db2.gz SVMCYJLEQWHMIN-GFCCVEGCSA-N 1 1 291.395 2.016 20 10 CECDMO COc1cccc(C[N@H+]2CCOCC2(C)C)c1O ZINC000133548392 394953670 /nfs/dbraw/zinc/95/36/70/394953670.db2.gz IANDZCHGGNUSES-UHFFFAOYSA-N 1 1 251.326 2.012 20 10 CECDMO CN(C)c1ccc(C[N@H+]2CC[C@H]3OCC[C@H]3C2)cc1 ZINC000366904794 394954121 /nfs/dbraw/zinc/95/41/21/394954121.db2.gz CDKZOHKYJAPSGX-GOEBONIOSA-N 1 1 260.381 2.363 20 10 CECDMO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000131513617 394912769 /nfs/dbraw/zinc/91/27/69/394912769.db2.gz SKQACKSKQZDFOL-ZYHUDNBSSA-N 1 1 279.336 2.120 20 10 CECDMO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000131513617 394912772 /nfs/dbraw/zinc/91/27/72/394912772.db2.gz SKQACKSKQZDFOL-ZYHUDNBSSA-N 1 1 279.336 2.120 20 10 CECDMO CCOc1cccc(C[N@H+]2CCO[C@@H](CC)C2)c1O ZINC000132016989 394924370 /nfs/dbraw/zinc/92/43/70/394924370.db2.gz FAGBPCMSNPYLRL-ZDUSSCGKSA-N 1 1 265.353 2.402 20 10 CECDMO Oc1c(F)cccc1C[N@@H+]1CCC[C@H]2OCC[C@H]21 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COc1cc(C[N@@H+](C)C[C@H]2CCCO2)c(O)cc1C ZINC000160228488 629926494 /nfs/dbraw/zinc/92/64/94/629926494.db2.gz ALVUHSKPPPGBIC-CYBMUJFWSA-N 1 1 265.353 2.320 20 10 CECDMO CCc1cccc(C[N@@H+]2[C@H](C)C(=O)N[C@@H](C)[C@H]2C)c1O ZINC000895123757 629926890 /nfs/dbraw/zinc/92/68/90/629926890.db2.gz ZCHTXGGXVAKGFY-QJPTWQEYSA-N 1 1 276.380 2.052 20 10 CECDMO COc1cccc(O)c1C[N@H+](C)Cc1ccns1 ZINC000895453047 630193420 /nfs/dbraw/zinc/19/34/20/630193420.db2.gz CNPATILXBUHPNU-UHFFFAOYSA-N 1 1 264.350 2.489 20 10 CECDMO COc1cccc(O)c1C[N@@H+](C)Cc1ccns1 ZINC000895453047 630193423 /nfs/dbraw/zinc/19/34/23/630193423.db2.gz CNPATILXBUHPNU-UHFFFAOYSA-N 1 1 264.350 2.489 20 10 CECDMO CN(Cc1ccccc1O)C(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC000895755724 630331772 /nfs/dbraw/zinc/33/17/72/630331772.db2.gz NMCOBJGIFTZBNC-ZDUSSCGKSA-N 1 1 276.380 2.223 20 10 CECDMO C[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1cn(C)nn1 ZINC000902742468 634805305 /nfs/dbraw/zinc/80/53/05/634805305.db2.gz QPNMMGISJGPJKO-ZDUSSCGKSA-N 1 1 285.395 2.266 20 10 CECDMO Oc1cccc(F)c1C[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000896643302 630618324 /nfs/dbraw/zinc/61/83/24/630618324.db2.gz UTISCSBYKQPXMP-GFCCVEGCSA-N 1 1 295.354 2.349 20 10 CECDMO C[C@H](C[C@@H]1CCOC1)[NH2+]Cc1c(O)cccc1F ZINC000896637896 630621467 /nfs/dbraw/zinc/62/14/67/630621467.db2.gz QOLXOFWVFUNJHP-MNOVXSKESA-N 1 1 253.317 2.436 20 10 CECDMO CCOC(=O)[C@H]1CC[N@@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000896954732 630841120 /nfs/dbraw/zinc/84/11/20/630841120.db2.gz AQAIIKMDLXPTON-LBPRGKRZSA-N 1 1 293.363 2.094 20 10 CECDMO COc1ccc(CN[C@@H](C)[C@@H]2CCC[NH2+]C2)cc1C ZINC000841032846 631821644 /nfs/dbraw/zinc/82/16/44/631821644.db2.gz GEPVHLODUSXTPD-DZGCQCFKSA-N 1 1 262.397 2.481 20 10 CECDMO C[C@H]1C[N@@H+](Cc2ccc3ccccc3c2O)C[C@H]1O ZINC000897681188 631865432 /nfs/dbraw/zinc/86/54/32/631865432.db2.gz YRUSVPLOFDNCNC-XHDPSFHLSA-N 1 1 257.333 2.358 20 10 CECDMO CO[C@@H]1CCOC[C@H]1[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000897890767 631963888 /nfs/dbraw/zinc/96/38/88/631963888.db2.gz XVTJQIJABCBAOZ-DGCLKSJQSA-N 1 1 289.734 2.078 20 10 CECDMO Cc1cc(C)c(O)c(C[N@H+]2CCO[C@@H](CF)C2)c1 ZINC000840170887 632080470 /nfs/dbraw/zinc/08/04/70/632080470.db2.gz BSPLFXXKBVOJMH-ZDUSSCGKSA-N 1 1 253.317 2.179 20 10 CECDMO COc1cccc(O)c1C[N@H+](C)[C@H]1C[C@@H](OC)C1 ZINC000809692910 632128806 /nfs/dbraw/zinc/12/88/06/632128806.db2.gz JEBHMSPKXNDMAB-PHIMTYICSA-N 1 1 251.326 2.010 20 10 CECDMO Cc1cc(O)c(C[N@@H+](C)CCN(C)C)cc1Cl ZINC000825903314 635730704 /nfs/dbraw/zinc/73/07/04/635730704.db2.gz CTYKPMPIPDFALG-UHFFFAOYSA-N 1 1 256.777 2.347 20 10 CECDMO Cc1cc(O)c(C[N@H+](C)CCN(C)C)cc1Cl ZINC000825903314 635730710 /nfs/dbraw/zinc/73/07/10/635730710.db2.gz CTYKPMPIPDFALG-UHFFFAOYSA-N 1 1 256.777 2.347 20 10 CECDMO CCC[C@]1(CO)CC[N@@H+](Cc2c(O)cccc2OC)C1 ZINC000809790148 632147177 /nfs/dbraw/zinc/14/71/77/632147177.db2.gz AONCKRGXWHUQSM-INIZCTEOSA-N 1 1 279.380 2.385 20 10 CECDMO COCc1nc(C[NH2+]Cc2c(O)cccc2OC)cs1 ZINC000810171493 632191077 /nfs/dbraw/zinc/19/10/77/632191077.db2.gz YQZBEMKRQXLFQB-UHFFFAOYSA-N 1 1 294.376 2.294 20 10 CECDMO COc1ccc(O)c(C[NH2+][C@@H](C[NH3+])C2CCCCC2)c1 ZINC000841039649 632203173 /nfs/dbraw/zinc/20/31/73/632203173.db2.gz XZVYOLUHYWGGFF-HNNXBMFYSA-N 1 1 278.396 2.398 20 10 CECDMO Cc1ccc(C(=O)OCC[C@H]2CCCC[N@@H+]2C)c(O)c1O ZINC000840218544 632317111 /nfs/dbraw/zinc/31/71/11/632317111.db2.gz BENLKRHRSSPGJT-GFCCVEGCSA-N 1 1 293.363 2.437 20 10 CECDMO Cc1cc(Cl)cc(C[NH2+][C@@H]2CNCC[C@@H]2C)c1O ZINC000841057592 632360311 /nfs/dbraw/zinc/36/03/11/632360311.db2.gz AKYCVDOINXCSKC-TVQRCGJNSA-N 1 1 268.788 2.442 20 10 CECDMO Cc1cc(C[N@H+]2CCSC[C@@H]2CCO)ccc1N(C)C ZINC000815061440 632953351 /nfs/dbraw/zinc/95/33/51/632953351.db2.gz VEAZGTUEFMLWRN-HNNXBMFYSA-N 1 1 294.464 2.361 20 10 CECDMO CCN(C)c1ccc(C[N@H+]2CC[C@](C)(C(=O)NC)C2)cc1 ZINC000815105088 632960468 /nfs/dbraw/zinc/96/04/68/632960468.db2.gz CEGALKUYKPUOSH-KRWDZBQOSA-N 1 1 289.423 2.101 20 10 CECDMO C[C@@H]([NH2+]CCOCCO)c1cccc(C(F)(F)F)c1O ZINC000815553428 633031364 /nfs/dbraw/zinc/03/13/64/633031364.db2.gz ACJLJQTVVVTJNR-SECBINFHSA-N 1 1 293.285 2.071 20 10 CECDMO OCC1(C[NH2+]Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816555455 633411790 /nfs/dbraw/zinc/41/17/90/633411790.db2.gz FOEWBZUGWHKOQO-UHFFFAOYSA-N 1 1 259.708 2.047 20 10 CECDMO OC[C@]12C[C@H]1C[N@@H+](Cc1ccc3ccccc3c1O)C2 ZINC000816586591 633417324 /nfs/dbraw/zinc/41/73/24/633417324.db2.gz MHKKTXYXLNSNKX-WMLDXEAASA-N 1 1 269.344 2.360 20 10 CECDMO CCOc1ccc(C[N@H+]2CCC[C@@H](CO)CC2)c(O)c1 ZINC000816665486 633460023 /nfs/dbraw/zinc/46/00/23/633460023.db2.gz JHXMQCZXVTZSTC-CYBMUJFWSA-N 1 1 279.380 2.385 20 10 CECDMO Cc1cc(O)c(C[N@@H+]2C[C@@H](CO)OC(C)(C)C2)c(Cl)c1 ZINC000817412131 633650845 /nfs/dbraw/zinc/65/08/45/633650845.db2.gz DIWYDHVSKOHVFY-NSHDSACASA-N 1 1 299.798 2.326 20 10 CECDMO Cc1cc(O)c(C[N@H+]2C[C@@H](CO)OC(C)(C)C2)c(Cl)c1 ZINC000817412131 633650848 /nfs/dbraw/zinc/65/08/48/633650848.db2.gz DIWYDHVSKOHVFY-NSHDSACASA-N 1 1 299.798 2.326 20 10 CECDMO CCOc1cccc(C[N@H+]2C[C@@H](O)CC[C@H]2C)c1O ZINC000817414988 633653024 /nfs/dbraw/zinc/65/30/24/633653024.db2.gz QBLCOXOFVQEPKK-YPMHNXCESA-N 1 1 265.353 2.136 20 10 CECDMO OCC[C@@H]1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000817418888 633655672 /nfs/dbraw/zinc/65/56/72/633655672.db2.gz KGYCUEDWJVMRND-GFCCVEGCSA-N 1 1 293.363 2.105 20 10 CECDMO C[C@@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccncc1 ZINC000817939166 633789231 /nfs/dbraw/zinc/78/92/31/633789231.db2.gz AAPDPVRLNKBLQB-CXAGYDPISA-N 1 1 284.407 2.498 20 10 CECDMO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCNC2)c2c1c(F)ccc2O ZINC000817942165 633789663 /nfs/dbraw/zinc/78/96/63/633789663.db2.gz XMPJMWMKSLIYNG-JFGNBEQYSA-N 1 1 264.344 2.421 20 10 CECDMO COc1ccc(O)c([C@@H](C)NC[C@@H]([NH3+])C(C)C)c1 ZINC000817959725 633801254 /nfs/dbraw/zinc/80/12/54/633801254.db2.gz URKCHXMUPHBMEH-ZWNOBZJWSA-N 1 1 252.358 2.035 20 10 CECDMO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](N)C(C)C)c1 ZINC000817959725 633801258 /nfs/dbraw/zinc/80/12/58/633801258.db2.gz URKCHXMUPHBMEH-ZWNOBZJWSA-N 1 1 252.358 2.035 20 10 CECDMO C[C@H]1C[C@H](NCC(F)(F)C[NH3+])c2c1c(F)ccc2O ZINC000817965864 633809259 /nfs/dbraw/zinc/80/92/59/633809259.db2.gz DPCZFKXUGYIERA-CBAPKCEASA-N 1 1 274.286 2.263 20 10 CECDMO CCOc1ccc(O)c(CN[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000818431239 633921427 /nfs/dbraw/zinc/92/14/27/633921427.db2.gz HJXCTHFEEJXEPQ-ZIAGYGMSSA-N 1 1 264.369 2.150 20 10 CECDMO CCOc1ccc(O)c(C[NH2+][C@@H]2CCCC[C@H]2N)c1 ZINC000818431239 633921430 /nfs/dbraw/zinc/92/14/30/633921430.db2.gz HJXCTHFEEJXEPQ-ZIAGYGMSSA-N 1 1 264.369 2.150 20 10 CECDMO CC[C@@H]([NH2+]CCN1CCCOCC1)c1ccc(F)cc1O ZINC000903226545 635014558 /nfs/dbraw/zinc/01/45/58/635014558.db2.gz HDIRNTGVGSUHMJ-OAHLLOKOSA-N 1 1 296.386 2.294 20 10 CECDMO O=C(NCc1cc(Cl)ccc1O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000824214467 635376859 /nfs/dbraw/zinc/37/68/59/635376859.db2.gz YOHUNTXPRBAXMY-GHMZBOCLSA-N 1 1 291.738 2.189 20 10 CECDMO C[C@@H]1C[NH2+]C[C@H]1CNC/C=C\c1ccc(N(C)C)cc1 ZINC000903966840 635399779 /nfs/dbraw/zinc/39/97/79/635399779.db2.gz CWOIICTXJNKNSS-RCELQXLSSA-N 1 1 273.424 2.211 20 10 CECDMO C[N@@H+](Cc1cc(Cl)ccc1O)CC(C)(C)CO ZINC000824629949 635465799 /nfs/dbraw/zinc/46/57/99/635465799.db2.gz GTUACEKOFHLHCN-UHFFFAOYSA-N 1 1 257.761 2.496 20 10 CECDMO CCc1ncc(C[NH2+]Cc2c(O)cccc2OC)o1 ZINC000825079623 635560722 /nfs/dbraw/zinc/56/07/22/635560722.db2.gz XITFJTLEAUJBSH-UHFFFAOYSA-N 1 1 262.309 2.241 20 10 CECDMO c1cc2c(cc1CN[C@@H]1CCC[NH2+]CC1)CCCO2 ZINC000904355026 635586709 /nfs/dbraw/zinc/58/67/09/635586709.db2.gz KAIFPXXYYNCZCJ-OAHLLOKOSA-N 1 1 260.381 2.243 20 10 CECDMO CC(C)C[C@@H](CN)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000904354375 635587013 /nfs/dbraw/zinc/58/70/13/635587013.db2.gz WSAQFOWDHHGATQ-HNNXBMFYSA-N 1 1 262.397 2.475 20 10 CECDMO C[C@@H]1C[NH2+]CC[C@H]1NCc1ccc2c(c1)CCCO2 ZINC000904356333 635587695 /nfs/dbraw/zinc/58/76/95/635587695.db2.gz VZXUYUPFAIISEI-IUODEOHRSA-N 1 1 260.381 2.099 20 10 CECDMO C[C@@H]1C[C@H](O)C[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000825310779 635611591 /nfs/dbraw/zinc/61/15/91/635611591.db2.gz CRWQMERPDPHLTC-SKDRFNHKSA-N 1 1 255.745 2.248 20 10 CECDMO COc1cccc(CNCC[N@@H+]2CCCC2(C)C)c1O ZINC000825325541 635617542 /nfs/dbraw/zinc/61/75/42/635617542.db2.gz DTWQNQZWPLTJEA-UHFFFAOYSA-N 1 1 278.396 2.365 20 10 CECDMO COc1cccc(CNCC[N@H+]2CCCC2(C)C)c1O ZINC000825325541 635617546 /nfs/dbraw/zinc/61/75/46/635617546.db2.gz DTWQNQZWPLTJEA-UHFFFAOYSA-N 1 1 278.396 2.365 20 10 CECDMO CCOc1ccc(O)c(C[N@H+]2CC[C@H](CCCO)C2)c1 ZINC000825339081 635619898 /nfs/dbraw/zinc/61/98/98/635619898.db2.gz ZXPRJESDIMRWEI-ZDUSSCGKSA-N 1 1 279.380 2.385 20 10 CECDMO COc1cc(O)c(C[N@H+]2CC[C@@H](CCCO)C2)cc1OC ZINC000825337683 635620616 /nfs/dbraw/zinc/62/06/16/635620616.db2.gz HZZZXDZUAWFGRV-GFCCVEGCSA-N 1 1 295.379 2.004 20 10 CECDMO CC[N@@H+](CC(N)=O)Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000825671746 635691770 /nfs/dbraw/zinc/69/17/70/635691770.db2.gz OARDRSFTJRSBRQ-UHFFFAOYSA-N 1 1 294.395 2.006 20 10 CECDMO Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000825874232 635725571 /nfs/dbraw/zinc/72/55/71/635725571.db2.gz WJCMFHZENGVGHK-CZUORRHYSA-N 1 1 289.423 2.017 20 10 CECDMO CCC[N@@H+](CC(N)=O)Cc1cc(Cl)c(C)cc1O ZINC000825992206 635742134 /nfs/dbraw/zinc/74/21/34/635742134.db2.gz UCMHKVOJQGURNV-UHFFFAOYSA-N 1 1 270.760 2.051 20 10 CECDMO Cc1cc(O)c(C[N@@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)cc1Cl ZINC000826143296 635767124 /nfs/dbraw/zinc/76/71/24/635767124.db2.gz WPFRONVXCUQGFB-FHGNATFXSA-N 1 1 285.796 2.059 20 10 CECDMO Cc1cc(O)c(C[N@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)cc1Cl ZINC000826143296 635767126 /nfs/dbraw/zinc/76/71/26/635767126.db2.gz WPFRONVXCUQGFB-FHGNATFXSA-N 1 1 285.796 2.059 20 10 CECDMO O=C1CCC2=C(CC[N@H+](Cc3cc(Cl)ccc3O)C2)N1 ZINC000826779803 635844742 /nfs/dbraw/zinc/84/47/42/635844742.db2.gz DJKLLJLDSFXSHV-UHFFFAOYSA-N 1 1 292.766 2.415 20 10 CECDMO Cc1cc(O)c(C[N@H+]2CCC(=O)N(C)CC2)c(Cl)c1 ZINC000827359506 636303618 /nfs/dbraw/zinc/30/36/18/636303618.db2.gz OTGAIKNQULWLKD-UHFFFAOYSA-N 1 1 282.771 2.018 20 10 CECDMO Cc1cccc(CN2CCO[C@@H](CCC[NH+](C)C)C2)c1O ZINC000827856435 636443011 /nfs/dbraw/zinc/44/30/11/636443011.db2.gz PHFJDFRODIALSM-INIZCTEOSA-N 1 1 292.423 2.243 20 10 CECDMO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)c1ccccc1O ZINC000827930891 636462786 /nfs/dbraw/zinc/46/27/86/636462786.db2.gz TUHZYIGPAYGJJU-TZMCWYRMSA-N 1 1 276.380 2.444 20 10 CECDMO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1ccccc1O ZINC000827978440 636477781 /nfs/dbraw/zinc/47/77/81/636477781.db2.gz TUHZYIGPAYGJJU-JSGCOSHPSA-N 1 1 276.380 2.444 20 10 CECDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)CS2)C1 ZINC000830576307 637104384 /nfs/dbraw/zinc/10/43/84/637104384.db2.gz FNFRTROAAUSVRR-PWSUYJOCSA-N 1 1 280.393 2.010 20 10 CECDMO COC(=O)[C@H]1CCC[N@@H+](Cc2ccc(C)cc2O)C1 ZINC000876556408 650325019 /nfs/dbraw/zinc/32/50/19/650325019.db2.gz QLUPRNLYWAQEQI-ZDUSSCGKSA-N 1 1 263.337 2.086 20 10 CECDMO Cc1cccc(O)c1C[NH+]1CCN(CC(F)(F)F)CC1 ZINC000876557108 650325080 /nfs/dbraw/zinc/32/50/80/650325080.db2.gz UOPIZMHIOIGUDV-UHFFFAOYSA-N 1 1 288.313 2.381 20 10 CECDMO C[C@H]1CC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876636938 650369827 /nfs/dbraw/zinc/36/98/27/650369827.db2.gz NQXNHBGWVVZJRG-AWEZNQCLSA-N 1 1 274.408 2.490 20 10 CECDMO CCCNC(=O)[C@H]1CCC[N@@H+](Cc2c(C)cccc2O)C1 ZINC000876657518 650381173 /nfs/dbraw/zinc/38/11/73/650381173.db2.gz GRYYQLQRYCCDMC-AWEZNQCLSA-N 1 1 290.407 2.439 20 10 CECDMO C[C@H]([NH2+]C[C@@H]1CCCN1CCCO)c1ccc(F)cc1O ZINC000834850592 637971081 /nfs/dbraw/zinc/97/10/81/637971081.db2.gz NLWBKYYSDSGBNY-JSGCOSHPSA-N 1 1 296.386 2.029 20 10 CECDMO CN(C)c1ccc(/C=C\C[N@H+]2CC[C@@](C)(O)C2)cc1 ZINC000835027845 638030313 /nfs/dbraw/zinc/03/03/13/638030313.db2.gz GVCWHBHFRXMXPA-YIEVGGLXSA-N 1 1 260.381 2.223 20 10 CECDMO CN(C)c1ccc(/C=C\CNCCC[NH+](C)C)cc1 ZINC000835033319 638032463 /nfs/dbraw/zinc/03/24/63/638032463.db2.gz FHKXJQAJRBWSOK-ALCCZGGFSA-N 1 1 261.413 2.307 20 10 CECDMO CN(C)CCC[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835033319 638032471 /nfs/dbraw/zinc/03/24/71/638032471.db2.gz FHKXJQAJRBWSOK-ALCCZGGFSA-N 1 1 261.413 2.307 20 10 CECDMO C[C@@H]([NH2+]C/C=C\c1ccc(N(C)C)cc1)c1nncn1C ZINC000835037763 638033353 /nfs/dbraw/zinc/03/33/53/638033353.db2.gz MRDRCMGANOSPPF-CFHLNLSMSA-N 1 1 285.395 2.245 20 10 CECDMO CN(C)c1ccc(/C=C\C[N@H+]2CCO[C@@H]3C[C@@H]32)cc1 ZINC000835052637 638040965 /nfs/dbraw/zinc/04/09/65/638040965.db2.gz IDBSNVDHTBXPSN-MYIWKSEUSA-N 1 1 258.365 2.239 20 10 CECDMO Cc1cccc(O)c1C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C ZINC000876765651 650425328 /nfs/dbraw/zinc/42/53/28/650425328.db2.gz WFYKYSFIECKQLT-KGLIPLIRSA-N 1 1 260.381 2.369 20 10 CECDMO Cc1cccc(O)c1CN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000876765651 650425331 /nfs/dbraw/zinc/42/53/31/650425331.db2.gz WFYKYSFIECKQLT-KGLIPLIRSA-N 1 1 260.381 2.369 20 10 CECDMO Cc1cccc(O)c1CN1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000876765651 650425335 /nfs/dbraw/zinc/42/53/35/650425335.db2.gz WFYKYSFIECKQLT-KGLIPLIRSA-N 1 1 260.381 2.369 20 10 CECDMO Cc1cccc(O)c1C[N@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000876805656 650440707 /nfs/dbraw/zinc/44/07/07/650440707.db2.gz 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/nfs/dbraw/zinc/59/24/47/639592447.db2.gz CQGNWHWLBZSHBN-HNNXBMFYSA-N 1 1 262.397 2.408 20 10 CECDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000840938998 639592756 /nfs/dbraw/zinc/59/27/56/639592756.db2.gz SNQSQUZCMDWRKP-QGZVFWFLSA-N 1 1 290.407 2.052 20 10 CECDMO Cc1cc(O)c(C[NH+]2CC(C)(CO)C2)c(Cl)c1 ZINC000840953514 639599343 /nfs/dbraw/zinc/59/93/43/639599343.db2.gz UCPGLVKWWGFZOE-UHFFFAOYSA-N 1 1 255.745 2.168 20 10 CECDMO COc1c(O)c(C[NH2+][C@H]2CS[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000840958567 639601637 /nfs/dbraw/zinc/60/16/37/639601637.db2.gz MVFZRZVMPHVVHY-PSASIEDQSA-N 1 1 298.364 2.293 20 10 CECDMO [NH3+]C[C@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])C1CC1 ZINC000841027623 639619173 /nfs/dbraw/zinc/61/91/73/639619173.db2.gz DGPMKHHQMHWDGU-NSHDSACASA-N 1 1 258.724 2.012 20 10 CECDMO C[C@@]1(CNCc2ccc3c(c2)CCO3)CCC[NH2+]C1 ZINC000841057958 639635201 /nfs/dbraw/zinc/63/52/01/639635201.db2.gz UCPMTYXFDDQOLR-MRXNPFEDSA-N 1 1 260.381 2.101 20 10 CECDMO CCOc1cccc(CN[C@@H]2CC[NH2+][C@H](C)C2)c1O ZINC000841062938 639638328 /nfs/dbraw/zinc/63/83/28/639638328.db2.gz ZNDKBKOEUSIGMF-DGCLKSJQSA-N 1 1 264.369 2.021 20 10 CECDMO C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000841064957 639640412 /nfs/dbraw/zinc/64/04/12/639640412.db2.gz XHGZCEKPNHJRGR-CABZTGNLSA-N 1 1 254.761 2.133 20 10 CECDMO C[C@@H]([NH2+]CC(C)(C)C(N)=O)c1ccc(Cl)cc1O ZINC000841750835 639858348 /nfs/dbraw/zinc/85/83/48/639858348.db2.gz JLRIDGGOUYIYIO-MRVPVSSYSA-N 1 1 270.760 2.208 20 10 CECDMO CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cccc(F)c1[O-] ZINC000843056451 640258253 /nfs/dbraw/zinc/25/82/53/640258253.db2.gz KKLIBZJTQUHSKD-CYBMUJFWSA-N 1 1 254.349 2.337 20 10 CECDMO CCOc1ccc(C[N@H+](C)C2CCC([NH3+])CC2)c([O-])c1 ZINC000843056103 640258593 /nfs/dbraw/zinc/25/85/93/640258593.db2.gz ZGRRJJPUUGNFEI-UHFFFAOYSA-N 1 1 278.396 2.493 20 10 CECDMO CCOc1ccc(C[N@@H+](C)C2CCC([NH3+])CC2)c([O-])c1 ZINC000843056103 640258596 /nfs/dbraw/zinc/25/85/96/640258596.db2.gz ZGRRJJPUUGNFEI-UHFFFAOYSA-N 1 1 278.396 2.493 20 10 CECDMO C[N@@H+](Cc1cccc(Cl)c1[O-])CC(C)(C)C[NH3+] ZINC000843056686 640259056 /nfs/dbraw/zinc/25/90/56/640259056.db2.gz WKQIBGGERCRPMA-UHFFFAOYSA-N 1 1 256.777 2.462 20 10 CECDMO CCOc1cccc(C[N@H+]2C[C@H]3CCC[C@@H](C2)N3)c1O ZINC000843105758 640282629 /nfs/dbraw/zinc/28/26/29/640282629.db2.gz WYPSKLJKZMIDEI-OKILXGFUSA-N 1 1 276.380 2.117 20 10 CECDMO CCOc1cccc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)N3)c1O ZINC000843105758 640282637 /nfs/dbraw/zinc/28/26/37/640282637.db2.gz WYPSKLJKZMIDEI-OKILXGFUSA-N 1 1 276.380 2.117 20 10 CECDMO [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1[O-] ZINC000843123227 640291247 /nfs/dbraw/zinc/29/12/47/640291247.db2.gz JBPHLBBTWHZGNV-LBPRGKRZSA-N 1 1 252.333 2.235 20 10 CECDMO [O-]c1c(F)cccc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843125436 640292439 /nfs/dbraw/zinc/29/24/39/640292439.db2.gz WNVLESYWUYWOOI-CHWSQXEVSA-N 1 1 278.371 2.353 20 10 CECDMO Cc1cccc(C[N@H+]2CCO[C@]3(CCSC3)C2)c1O ZINC000843418678 640421448 /nfs/dbraw/zinc/42/14/48/640421448.db2.gz WLQDBLVYZOJBCN-OAHLLOKOSA-N 1 1 279.405 2.409 20 10 CECDMO C[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2O)CO1 ZINC000843432934 640429468 /nfs/dbraw/zinc/42/94/68/640429468.db2.gz RMLDUNKOSBUZKV-IONNQARKSA-N 1 1 259.708 2.452 20 10 CECDMO CCN(CC)c1ccc(C[N@@H+](C)CC(=O)N2CCC2)cc1 ZINC000915361522 640549975 /nfs/dbraw/zinc/54/99/75/640549975.db2.gz ZLXMZJSMYPUUMM-UHFFFAOYSA-N 1 1 289.423 2.197 20 10 CECDMO COc1ccc(N(C)CC[N@H+](C)Cc2cnccn2)cc1 ZINC000846051457 641164781 /nfs/dbraw/zinc/16/47/81/641164781.db2.gz HEWZSKBAXUFTBB-UHFFFAOYSA-N 1 1 286.379 2.053 20 10 CECDMO COc1ccc(N(C)CC[N@@H+](C)Cc2cnccn2)cc1 ZINC000846051457 641164782 /nfs/dbraw/zinc/16/47/82/641164782.db2.gz HEWZSKBAXUFTBB-UHFFFAOYSA-N 1 1 286.379 2.053 20 10 CECDMO CCN(CC)c1ccc(C[N@H+]2C[C@H](O)C[C@@H]2COC)cc1 ZINC000846053803 641165469 /nfs/dbraw/zinc/16/54/69/641165469.db2.gz XPCJTLRHDMBOAL-IAGOWNOFSA-N 1 1 292.423 2.114 20 10 CECDMO COc1cccc([C@H](C)[NH2+]Cc2nnc(C)s2)c1O ZINC000846166490 641209404 /nfs/dbraw/zinc/20/94/04/641209404.db2.gz XUUVLRSHHIGPFU-QMMMGPOBSA-N 1 1 279.365 2.412 20 10 CECDMO CCOC(=O)C[N@@H+](Cc1cc(OC)ccc1O)CC(C)C ZINC000179752018 641380061 /nfs/dbraw/zinc/38/00/61/641380061.db2.gz QLFMDOWPNOAFCG-UHFFFAOYSA-N 1 1 295.379 2.422 20 10 CECDMO CCOC(=O)C[N@H+](Cc1cc(OC)ccc1O)CC(C)C ZINC000179752018 641380067 /nfs/dbraw/zinc/38/00/67/641380067.db2.gz QLFMDOWPNOAFCG-UHFFFAOYSA-N 1 1 295.379 2.422 20 10 CECDMO CCC[N@H+](Cc1ccccc1O)C[C@@H]1CN(CC)C(=O)O1 ZINC000846809998 641433463 /nfs/dbraw/zinc/43/34/63/641433463.db2.gz TXAWWJPVSCDQTF-CQSZACIVSA-N 1 1 292.379 2.445 20 10 CECDMO Cc1cc(C[N@@H+](C)[C@H]2CCC(=O)N(C)C2)ccc1N(C)C ZINC000846920102 641483196 /nfs/dbraw/zinc/48/31/96/641483196.db2.gz FPOPTQYJVNNULJ-HNNXBMFYSA-N 1 1 289.423 2.114 20 10 CECDMO COCC1=CC[N@@H+](Cc2cc(OC)c(C)cc2O)CC1 ZINC000185028622 641928457 /nfs/dbraw/zinc/92/84/57/641928457.db2.gz KUJDFBUFAPXMDJ-UHFFFAOYSA-N 1 1 277.364 2.488 20 10 CECDMO CCCCC[N@@H+](CC(N)=O)Cc1cccc(CC)c1O ZINC000848901669 642180107 /nfs/dbraw/zinc/18/01/07/642180107.db2.gz ZHNMQLWZVPCCMQ-UHFFFAOYSA-N 1 1 278.396 2.432 20 10 CECDMO c1cc(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc2c1OCC2 ZINC000108098110 642225966 /nfs/dbraw/zinc/22/59/66/642225966.db2.gz RUIHHLKIMKYEFW-HZPDHXFCSA-N 1 1 272.392 2.338 20 10 CECDMO c1cc(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc2c1OCC2 ZINC000108098110 642225974 /nfs/dbraw/zinc/22/59/74/642225974.db2.gz RUIHHLKIMKYEFW-HZPDHXFCSA-N 1 1 272.392 2.338 20 10 CECDMO C[NH+](C)[C@@H](CNCc1ccc2c(c1)CCCO2)C1CC1 ZINC000921555313 642233958 /nfs/dbraw/zinc/23/39/58/642233958.db2.gz FQBBFCKOVZTEMP-INIZCTEOSA-N 1 1 274.408 2.441 20 10 CECDMO Cc1ccc(C[N@H+]2CCO[C@@]3(CCO[C@H]3C)C2)c(O)c1 ZINC000877487283 650745304 /nfs/dbraw/zinc/74/53/04/650745304.db2.gz SDCYYXWEIKIOIB-BBRMVZONSA-N 1 1 277.364 2.080 20 10 CECDMO Cc1cccc(O)c1C[N@H+]1CCO[C@]2(CCCOC2)C1 ZINC000877513484 650758848 /nfs/dbraw/zinc/75/88/48/650758848.db2.gz WWTYILWGFDPWHK-MRXNPFEDSA-N 1 1 277.364 2.082 20 10 CECDMO CO[C@H](C)C[N@@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877522110 650764916 /nfs/dbraw/zinc/76/49/16/650764916.db2.gz APIXZHNYUATRME-CQSZACIVSA-N 1 1 292.423 2.114 20 10 CECDMO COc1ccnc(C[NH2+]Cc2c(O)cccc2OC)c1F ZINC000850380839 642691743 /nfs/dbraw/zinc/69/17/43/642691743.db2.gz NZCYCQAXPAZINM-UHFFFAOYSA-N 1 1 292.310 2.233 20 10 CECDMO Cc1ccc(C[N@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)c(O)c1 ZINC000877572352 650795093 /nfs/dbraw/zinc/79/50/93/650795093.db2.gz POSWPTJTBBYQKD-YPMHNXCESA-N 1 1 289.297 2.446 20 10 CECDMO Cc1ccc(C[N@H+]2CC[C@H](Nc3ncccn3)C2)c(O)c1 ZINC000877603235 650809596 /nfs/dbraw/zinc/80/95/96/650809596.db2.gz IMDDDEZJLBMYTE-AWEZNQCLSA-N 1 1 284.363 2.177 20 10 CECDMO C[C@H]1[C@H](NCc2cc(F)c(N(C)C)cc2F)CC[N@@H+]1C ZINC000922554737 643124155 /nfs/dbraw/zinc/12/41/55/643124155.db2.gz MJCHOKFNOPSTDE-IINYFYTJSA-N 1 1 283.366 2.213 20 10 CECDMO C[C@H]1[C@H](NCc2cc(F)c(N(C)C)cc2F)CC[N@H+]1C ZINC000922554737 643124160 /nfs/dbraw/zinc/12/41/60/643124160.db2.gz MJCHOKFNOPSTDE-IINYFYTJSA-N 1 1 283.366 2.213 20 10 CECDMO CN(C)c1ccc(C[N@@H+](C[C@@H]2CCC(=O)O2)C2CC2)cc1 ZINC000851732238 643132563 /nfs/dbraw/zinc/13/25/63/643132563.db2.gz MGKGXKUAYXAONX-INIZCTEOSA-N 1 1 288.391 2.423 20 10 CECDMO COc1cc(C[N@H+](C)Cc2ccccc2O)sn1 ZINC000851840540 643186006 /nfs/dbraw/zinc/18/60/06/643186006.db2.gz GZUKLWFQPAOHLD-UHFFFAOYSA-N 1 1 264.350 2.489 20 10 CECDMO COc1cc(C[N@@H+](C)Cc2ccccc2O)sn1 ZINC000851840540 643186008 /nfs/dbraw/zinc/18/60/08/643186008.db2.gz GZUKLWFQPAOHLD-UHFFFAOYSA-N 1 1 264.350 2.489 20 10 CECDMO CC1(C)O[C@@H]2C[C@@H]([NH2+]Cc3cc(F)cc(F)c3O)C[C@@H]2O1 ZINC000922870384 643305396 /nfs/dbraw/zinc/30/53/96/643305396.db2.gz KHTCYHIKCSOTSY-UOJUARBOSA-N 1 1 299.317 2.443 20 10 CECDMO CC(=O)c1cc(F)cc(CN2CC[N@H+](C)C(C)(C)C2)c1O ZINC000110729428 643490601 /nfs/dbraw/zinc/49/06/01/643490601.db2.gz YVYHERGOVYACMW-UHFFFAOYSA-N 1 1 294.370 2.260 20 10 CECDMO Cc1ccc(C[N@H+](C)[C@H]2CN3CCC2CC3)c(O)c1 ZINC000877706478 650862960 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CC[C@H]([NH2+]C[C@@H](CO)[C@@H]1CCOC1)c1ccc(F)cc1O ZINC000286937154 376108732 /nfs/dbraw/zinc/10/87/32/376108732.db2.gz BAKKRVMJXDGVLM-XUJVJEKNSA-N 1 1 297.370 2.217 20 10 CECDMO CC[C@@H]([NH2+][C@@H](C)C(=O)N(C)C)c1ccc(F)cc1O ZINC000287560284 376261085 /nfs/dbraw/zinc/26/10/85/376261085.db2.gz QDSDKYYMXKHBQV-JOYOIKCWSA-N 1 1 268.332 2.049 20 10 CECDMO Cc1cnn(C)c1C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000289152631 376388631 /nfs/dbraw/zinc/38/86/31/376388631.db2.gz QIVZABNHRWBYCK-UHFFFAOYSA-N 1 1 272.396 2.427 20 10 CECDMO CC[C@H]([NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O)C(C)(C)O ZINC000294982585 378033305 /nfs/dbraw/zinc/03/33/05/378033305.db2.gz KSTKVORORXLEND-HZMBPMFUSA-N 1 1 295.379 2.379 20 10 CECDMO C[N@H+](Cc1cc(Cl)c(F)cc1O)CC(C)(C)O ZINC000295363211 378122093 /nfs/dbraw/zinc/12/20/93/378122093.db2.gz NXCSTARLZCBWES-UHFFFAOYSA-N 1 1 261.724 2.387 20 10 CECDMO C[N@@H+](Cc1cc(Cl)c(F)cc1O)CC(C)(C)O ZINC000295363211 378122097 /nfs/dbraw/zinc/12/20/97/378122097.db2.gz NXCSTARLZCBWES-UHFFFAOYSA-N 1 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Cc1cc(O)c(C[N@H+](CC(N)=O)CC(C)C)c(Cl)c1 ZINC000840911200 639583381 /nfs/dbraw/zinc/58/33/81/639583381.db2.gz WZKVSGYPGRYMFX-UHFFFAOYSA-N 1 1 284.787 2.297 20 10 CECDMO Cc1cc(O)c(C[N@@H+]2CCN3C(=O)CC[C@H]3C2)c(Cl)c1 ZINC000840913658 639584576 /nfs/dbraw/zinc/58/45/76/639584576.db2.gz ZRJIXOVVLGIJPH-NSHDSACASA-N 1 1 294.782 2.161 20 10 CECDMO Cc1cc(O)c(C[N@H+]2CCN3C(=O)CC[C@H]3C2)c(Cl)c1 ZINC000840913658 639584582 /nfs/dbraw/zinc/58/45/82/639584582.db2.gz ZRJIXOVVLGIJPH-NSHDSACASA-N 1 1 294.782 2.161 20 10 CECDMO Cc1cc(O)c(C[N@H+]2CC[C@]3(CNC(=O)C3)C2)c(Cl)c1 ZINC000840941273 639594410 /nfs/dbraw/zinc/59/44/10/639594410.db2.gz VHWXZJYFFGBYES-HNNXBMFYSA-N 1 1 294.782 2.066 20 10 CECDMO Cn1ncc2c1CCC[N@@H+](Cc1cc(F)ccc1O)C2 ZINC000840954282 639600345 /nfs/dbraw/zinc/60/03/45/639600345.db2.gz GFYITTBMMRXKGT-UHFFFAOYSA-N 1 1 275.327 2.213 20 10 CECDMO COC(=O)[C@@]1(C)CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000840976500 639607111 /nfs/dbraw/zinc/60/71/11/639607111.db2.gz WYPGGBJGTOKECW-HNNXBMFYSA-N 1 1 281.327 2.306 20 10 CECDMO C[C@H]1[C@@H]([NH3+])CCN1Cc1cccc(Br)c1O ZINC000841025589 639619990 /nfs/dbraw/zinc/61/99/90/639619990.db2.gz AWPFWLSTEUJTFG-KWQFWETISA-N 1 1 285.185 2.076 20 10 CECDMO C[C@@H](NCc1ccc(N(C)C)c(F)c1)[C@H]1CCC[NH2+]C1 ZINC000841032356 639624157 /nfs/dbraw/zinc/62/41/57/639624157.db2.gz BMMJMXDAOYUVEZ-OCCSQVGLSA-N 1 1 279.403 2.369 20 10 CECDMO C[C@@H]1CCNC[C@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000841059574 639636663 /nfs/dbraw/zinc/63/66/63/639636663.db2.gz UUTXMQQXLMKTCB-BXKDBHETSA-N 1 1 299.212 2.242 20 10 CECDMO CCOCc1cc(CN[C@H]2CC[NH2+]C[C@@H]2C)ccc1OC ZINC000841063154 639638134 /nfs/dbraw/zinc/63/81/34/639638134.db2.gz FDICYUWIMJMJQR-BBRMVZONSA-N 1 1 292.423 2.319 20 10 CECDMO Cc1cc(Br)cc(CN[C@@H](C)[C@H](C)[NH3+])c1O ZINC000841076892 639647187 /nfs/dbraw/zinc/64/71/87/639647187.db2.gz SDYZNUANYSXUMF-IUCAKERBSA-N 1 1 287.201 2.288 20 10 CECDMO CC1(C)[NH2+]CC[C@@H]1NCc1c(O)ccc(Cl)c1F ZINC000841085506 639650251 /nfs/dbraw/zinc/65/02/51/639650251.db2.gz FIMCFXNIIRYAHB-NSHDSACASA-N 1 1 272.751 2.415 20 10 CECDMO CN(C)c1ccc(CN[C@@H](C[NH3+])C2CCCC2)cc1 ZINC000841086011 639652158 /nfs/dbraw/zinc/65/21/58/639652158.db2.gz FORZJTXALUHKMS-INIZCTEOSA-N 1 1 261.413 2.360 20 10 CECDMO [O-]c1ccc(Cl)cc1C[NH2+]CCC[NH2+]C1CC1 ZINC000841092982 639654619 /nfs/dbraw/zinc/65/46/19/639654619.db2.gz PJWHXLUJJSMAGF-UHFFFAOYSA-N 1 1 254.761 2.277 20 10 CECDMO CCCNC(=O)CC[NH2+][C@H](C)c1ccc(F)cc1O ZINC000062748374 639783564 /nfs/dbraw/zinc/78/35/64/639783564.db2.gz VPEKPIKBNJOAGI-SNVBAGLBSA-N 1 1 268.332 2.098 20 10 CECDMO C[C@H]([NH2+]C[C@@]1(C)CCC(=O)N1)c1ccc(Cl)cc1O ZINC000841755576 639857874 /nfs/dbraw/zinc/85/78/74/639857874.db2.gz JIVVNNRNHFUSLF-LKFCYVNXSA-N 1 1 282.771 2.365 20 10 CECDMO COC[C@@](C)(O)CC[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841752619 639858895 /nfs/dbraw/zinc/85/88/95/639858895.db2.gz BWFWOTNOLAIFGS-YGRLFVJLSA-N 1 1 287.787 2.484 20 10 CECDMO C[C@@H]([NH2+]C[C@H]1CCCNC1=O)c1ccc(Cl)cc1O ZINC000841756478 639859870 /nfs/dbraw/zinc/85/98/70/639859870.db2.gz VYIFTPNUDPAEQX-NXEZZACHSA-N 1 1 282.771 2.222 20 10 CECDMO C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)CC2(CCC2)O1 ZINC000842644711 640132994 /nfs/dbraw/zinc/13/29/94/640132994.db2.gz TZCDLADTVGIMAS-LLVKDONJSA-N 1 1 291.347 2.264 20 10 CECDMO COc1ncncc1C[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000842672876 640145493 /nfs/dbraw/zinc/14/54/93/640145493.db2.gz FJUWTFSZKZZQJC-UHFFFAOYSA-N 1 1 298.390 2.157 20 10 CECDMO CCOc1ccc(CN2CCC[C@H](C[NH2+]C)C2)c(O)c1 ZINC000843044596 640250224 /nfs/dbraw/zinc/25/02/24/640250224.db2.gz KXFPNVPMRWPIMZ-CYBMUJFWSA-N 1 1 278.396 2.222 20 10 CECDMO C[N@@H+](Cc1cccc(F)c1[O-])C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000843046945 640251138 /nfs/dbraw/zinc/25/11/38/640251138.db2.gz IEFXIPICLRIKSC-FUNVUKJBSA-N 1 1 264.344 2.246 20 10 CECDMO [NH3+]C1CCN(Cc2cc(Cl)cc(F)c2O)CC1 ZINC000843046934 640251547 /nfs/dbraw/zinc/25/15/47/640251547.db2.gz AEZPSPJTBUTFCI-UHFFFAOYSA-N 1 1 258.724 2.108 20 10 CECDMO CN(C)c1ccc(/C=C/CN2CC[C@@H](C[NH3+])C2)cc1 ZINC000843048309 640252812 /nfs/dbraw/zinc/25/28/12/640252812.db2.gz IPRHULVVUQSORL-BWPKMQGJSA-N 1 1 259.397 2.046 20 10 CECDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCN[C@H](C)[C@@H]1C ZINC000843057235 640259791 /nfs/dbraw/zinc/25/97/91/640259791.db2.gz HEHMSXPZAYGVTI-KGLIPLIRSA-N 1 1 261.413 2.243 20 10 CECDMO Cc1cc(N(C)C)ccc1C[N@@H+]1CCN[C@H](C)[C@@H]1C ZINC000843057235 640259794 /nfs/dbraw/zinc/25/97/94/640259794.db2.gz HEHMSXPZAYGVTI-KGLIPLIRSA-N 1 1 261.413 2.243 20 10 CECDMO C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000843057244 640260221 /nfs/dbraw/zinc/26/02/21/640260221.db2.gz HLDLCABARLOYOP-VHSXEESVSA-N 1 1 299.212 2.324 20 10 CECDMO C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cccc(Br)c1[O-] ZINC000843057871 640260331 /nfs/dbraw/zinc/26/03/31/640260331.db2.gz NFFQESDXLDGPEL-NXEZZACHSA-N 1 1 299.212 2.324 20 10 CECDMO C[C@H]([NH3+])[C@H]1CCN(Cc2ccc(N(C)C)c(F)c2)C1 ZINC000843058672 640261445 /nfs/dbraw/zinc/26/14/45/640261445.db2.gz VSJXVTDCYSQTPM-AAEUAGOBSA-N 1 1 265.376 2.061 20 10 CECDMO NCC[N@H+](CCc1ccccc1)Cc1ccccc1O ZINC000843122043 640290910 /nfs/dbraw/zinc/29/09/10/640290910.db2.gz OAFGSELWMIPXPJ-UHFFFAOYSA-N 1 1 270.376 2.396 20 10 CECDMO NCC[N@@H+](CCc1ccccc1)Cc1ccccc1O ZINC000843122043 640290915 /nfs/dbraw/zinc/29/09/15/640290915.db2.gz OAFGSELWMIPXPJ-UHFFFAOYSA-N 1 1 270.376 2.396 20 10 CECDMO NC[C@@H]1c2ccccc2CC[N@H+]1Cc1ccccc1O ZINC000843127553 640294497 /nfs/dbraw/zinc/29/44/97/640294497.db2.gz DWUYPTPWZUIHQE-MRXNPFEDSA-N 1 1 268.360 2.450 20 10 CECDMO NC[C@@H]1c2ccccc2CC[N@@H+]1Cc1ccccc1O ZINC000843127553 640294500 /nfs/dbraw/zinc/29/45/00/640294500.db2.gz DWUYPTPWZUIHQE-MRXNPFEDSA-N 1 1 268.360 2.450 20 10 CECDMO COCCC[N@@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844399774 640708279 /nfs/dbraw/zinc/70/82/79/640708279.db2.gz OMOHDMJZAWXQCL-UHFFFAOYSA-N 1 1 266.385 2.100 20 10 CECDMO COC(=O)CC1([NH2+]Cc2c(O)ccc(Cl)c2F)CC1 ZINC000846026613 641155969 /nfs/dbraw/zinc/15/59/69/641155969.db2.gz GMFCOBHMLNRIQE-UHFFFAOYSA-N 1 1 287.718 2.370 20 10 CECDMO COc1ccc(N(C)CC[N@@H+](C)CC2=CCCOC2)cc1 ZINC000846052876 641163994 /nfs/dbraw/zinc/16/39/94/641163994.db2.gz UKQDCKHSDQQLDK-UHFFFAOYSA-N 1 1 290.407 2.410 20 10 CECDMO NC(=O)CC[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000180010958 641400766 /nfs/dbraw/zinc/40/07/66/641400766.db2.gz AYYUBZXEAVSHNO-NSHDSACASA-N 1 1 280.343 2.009 20 10 CECDMO CCCC[N@H+](Cc1ccccc1O)C[C@H](O)CN(C)CC ZINC000846894214 641472695 /nfs/dbraw/zinc/47/26/95/641472695.db2.gz UPDVROMOCOAASM-MRXNPFEDSA-N 1 1 294.439 2.307 20 10 CECDMO CCN(C)c1ccc(C[N@@H+](C[C@H](C)O)C2CC2)cc1 ZINC000847104679 641570251 /nfs/dbraw/zinc/57/02/51/641570251.db2.gz JEOOQZOPZIGLEZ-ZDUSSCGKSA-N 1 1 262.397 2.488 20 10 CECDMO C[C@H]1CC[N@@H+](CC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000848242373 641932772 /nfs/dbraw/zinc/93/27/72/641932772.db2.gz DLSXFBIJAXYXAX-JTQLQIEISA-N 1 1 282.771 2.004 20 10 CECDMO CC(C)COC[C@H](O)C[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000185116959 641938402 /nfs/dbraw/zinc/93/84/02/641938402.db2.gz OTZQTMLLTLWDGV-WCQYABFASA-N 1 1 285.359 2.215 20 10 CECDMO CCc1cccc(C[N@H+](C)[C@H](C)CS(=O)(=O)CC)c1O ZINC000848885889 642170834 /nfs/dbraw/zinc/17/08/34/642170834.db2.gz BYWLCTVAORGNOC-GFCCVEGCSA-N 1 1 299.436 2.210 20 10 CECDMO CCc1cccc(C[N@@H+](C)[C@H](C)CS(=O)(=O)CC)c1O ZINC000848885889 642170837 /nfs/dbraw/zinc/17/08/37/642170837.db2.gz BYWLCTVAORGNOC-GFCCVEGCSA-N 1 1 299.436 2.210 20 10 CECDMO CCc1cccc(C[N@H+]2CCN(C)CC2(C)C)c1O ZINC000848887179 642171841 /nfs/dbraw/zinc/17/18/41/642171841.db2.gz PNZFMWVAJUWLHW-UHFFFAOYSA-N 1 1 262.397 2.481 20 10 CECDMO CCc1cccc(CN2CC[N@H+](C)CC2(C)C)c1O ZINC000848887179 642171850 /nfs/dbraw/zinc/17/18/50/642171850.db2.gz PNZFMWVAJUWLHW-UHFFFAOYSA-N 1 1 262.397 2.481 20 10 CECDMO CCc1cccc(CN2CC[N@@H+](C)CC2(C)C)c1O ZINC000848887179 642171854 /nfs/dbraw/zinc/17/18/54/642171854.db2.gz PNZFMWVAJUWLHW-UHFFFAOYSA-N 1 1 262.397 2.481 20 10 CECDMO CCc1cccc(C[N@H+]2CCC[C@@H](CC(N)=O)C2)c1O ZINC000848889027 642173867 /nfs/dbraw/zinc/17/38/67/642173867.db2.gz GAWKMVMEQVPWLD-LBPRGKRZSA-N 1 1 276.380 2.042 20 10 CECDMO CCc1cccc(C[N@@H+](C)CCc2cnccn2)c1O ZINC000848901652 642179981 /nfs/dbraw/zinc/17/99/81/642179981.db2.gz YXJKKNMTPVDJQN-UHFFFAOYSA-N 1 1 271.364 2.419 20 10 CECDMO CCc1cccc(C[N@H+]2CCOC[C@@H]2CCOC)c1O ZINC000848913071 642187788 /nfs/dbraw/zinc/18/77/88/642187788.db2.gz NOUWKEJMJQMVQD-HNNXBMFYSA-N 1 1 279.380 2.192 20 10 CECDMO CCc1cccc(C[N@H+]2CC[C@@H](OC(=O)N(C)C)C2)c1O ZINC000848915481 642188635 /nfs/dbraw/zinc/18/86/35/642188635.db2.gz IEXNAJLMDWAHGT-CQSZACIVSA-N 1 1 292.379 2.227 20 10 CECDMO CCC[C@@]1(C)C(=O)NCC[N@@H+]1Cc1ccc(C)cc1O ZINC000877461728 650729921 /nfs/dbraw/zinc/72/99/21/650729921.db2.gz GGBKCKRUCNNDPT-INIZCTEOSA-N 1 1 276.380 2.191 20 10 CECDMO COCCCOCC[N@@H+](C)Cc1cc(C)cc(C)c1O ZINC000091026151 642405809 /nfs/dbraw/zinc/40/58/09/642405809.db2.gz FJPFEEVPVOPDLN-UHFFFAOYSA-N 1 1 281.396 2.494 20 10 CECDMO CC(C)(C)[N@@H+]1CC[C@@H](NCc2cc3c(cc2O)OCO3)C1 ZINC000850350260 642676707 /nfs/dbraw/zinc/67/67/07/642676707.db2.gz ABTBNUJSDSNPNO-GFCCVEGCSA-N 1 1 292.379 2.083 20 10 CECDMO CC(C)(C)[N@H+]1CC[C@@H](NCc2cc3c(cc2O)OCO3)C1 ZINC000850350260 642676710 /nfs/dbraw/zinc/67/67/10/642676710.db2.gz ABTBNUJSDSNPNO-GFCCVEGCSA-N 1 1 292.379 2.083 20 10 CECDMO c1nc2n(n1)CCC[C@H]2[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921821702 642688303 /nfs/dbraw/zinc/68/83/03/642688303.db2.gz QWKVVPLMMVSPNR-CQSZACIVSA-N 1 1 284.363 2.228 20 10 CECDMO CC[C@@H]([NH2+]Cc1nc(C(N)=O)cs1)c1ccccc1O ZINC000850539597 642746616 /nfs/dbraw/zinc/74/66/16/642746616.db2.gz DVXPRMBMRXCCHA-SNVBAGLBSA-N 1 1 291.376 2.189 20 10 CECDMO CCO[C@@H](C[NH2+]Cc1ccc2c(c1)CCCO2)CN(C)C ZINC000922752215 643241498 /nfs/dbraw/zinc/24/14/98/643241498.db2.gz BVPCSFAFOBFPQD-INIZCTEOSA-N 1 1 292.423 2.068 20 10 CECDMO CCCC[N@H+](Cc1ccccc1O)C[C@H]1CNC(=O)C1 ZINC000852019099 643267869 /nfs/dbraw/zinc/26/78/69/643267869.db2.gz UQCAPUNSJDOBLW-CYBMUJFWSA-N 1 1 276.380 2.130 20 10 CECDMO CCOc1ccc(O)c(C[N@@H+](C)[C@@H]2CN3CCC2CC3)c1 ZINC000877705970 650861968 /nfs/dbraw/zinc/86/19/68/650861968.db2.gz BZVUEUPNGPGJAD-MRXNPFEDSA-N 1 1 290.407 2.317 20 10 CECDMO CN(C)c1ccc(C[N@@H+](C[C@@H](O)C2CC2)C2CC2)cc1 ZINC000838793148 644013111 /nfs/dbraw/zinc/01/31/11/644013111.db2.gz HUOMXWDNWVRWFV-QGZVFWFLSA-N 1 1 274.408 2.488 20 10 CECDMO CCOc1ccc(O)c(C[N@H+]2C[C@@H](O)CC(C)(C)C2)c1 ZINC000877753126 650897100 /nfs/dbraw/zinc/89/71/00/650897100.db2.gz NBSJPBKMEDIAGX-ZDUSSCGKSA-N 1 1 279.380 2.384 20 10 CECDMO C[C@@H](C1CC1)[N@@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839460624 644227281 /nfs/dbraw/zinc/22/72/81/644227281.db2.gz QGUSZMMEIOKXPU-ZDUSSCGKSA-N 1 1 289.423 2.099 20 10 CECDMO CNC(=O)C[N@@H+](Cc1ccccc1)Cc1ccc(C)cc1O ZINC000877773062 650905142 /nfs/dbraw/zinc/90/51/42/650905142.db2.gz ZMRFVWZHVJWNTB-UHFFFAOYSA-N 1 1 298.386 2.449 20 10 CECDMO CN(C)c1ccc(/C=C\C[N@H+]2CCSC[C@H]2CO)cc1 ZINC000877780539 650908167 /nfs/dbraw/zinc/90/81/67/650908167.db2.gz UGTVTIASDKDUKI-MJSXRHKHSA-N 1 1 292.448 2.176 20 10 CECDMO CCN(CC)c1ccc(C[N@H+]2C[C@@H](OC)[C@@H](OC)C2)cc1 ZINC000754155589 644331663 /nfs/dbraw/zinc/33/16/63/644331663.db2.gz YFOBXEPLVXMEGY-CALCHBBNSA-N 1 1 292.423 2.378 20 10 CECDMO CCC[N@@H+](CC(=O)N(C)C)Cc1cc(C)cc(OC)c1O ZINC000754723815 644420315 /nfs/dbraw/zinc/42/03/15/644420315.db2.gz VYFXCYXYMUZMPA-UHFFFAOYSA-N 1 1 294.395 2.009 20 10 CECDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(C)cc(C)c2O)C1 ZINC000754726979 644420940 /nfs/dbraw/zinc/42/09/40/644420940.db2.gz CTXPNTIIZYKONF-GFCCVEGCSA-N 1 1 263.337 2.004 20 10 CECDMO C[C@H]([NH2+][C@H](CCO)C1CC1)c1ccc(F)cc1O ZINC000756741957 644688064 /nfs/dbraw/zinc/68/80/64/644688064.db2.gz ZCNAHPBJGXSIAD-TVQRCGJNSA-N 1 1 253.317 2.343 20 10 CECDMO CCOc1cccc(C[N@H+]2CC[C@@H](C)[C@H](CO)C2)c1O ZINC000857061972 644806382 /nfs/dbraw/zinc/80/63/82/644806382.db2.gz XESQPEPROHZYGH-OCCSQVGLSA-N 1 1 279.380 2.241 20 10 CECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC2(OC)CCC2)c1 ZINC000757635917 644828699 /nfs/dbraw/zinc/82/86/99/644828699.db2.gz BSBOCOUHICPPPI-NSHDSACASA-N 1 1 293.363 2.399 20 10 CECDMO c1cc(N2CCOCC2)ccc1C[N@H+]1CCCSCC1 ZINC000757873562 644853211 /nfs/dbraw/zinc/85/32/11/644853211.db2.gz AZFRDBHFETUUNZ-UHFFFAOYSA-N 1 1 292.448 2.462 20 10 CECDMO COc1ccc(O)c(C[NH2+][C@@H]2CCN(C)C(C)(C)C2)c1 ZINC000858137162 645071227 /nfs/dbraw/zinc/07/12/27/645071227.db2.gz HXMJMCUWKAFDPJ-CYBMUJFWSA-N 1 1 278.396 2.363 20 10 CECDMO Cc1nnsc1C[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858168138 645079599 /nfs/dbraw/zinc/07/95/99/645079599.db2.gz FPMOAHMYDZNCGB-UHFFFAOYSA-N 1 1 298.362 2.481 20 10 CECDMO C[N@H+](Cc1ccccc1O)C[C@H]1CC2(CO1)CCOCC2 ZINC000878241492 651043524 /nfs/dbraw/zinc/04/35/24/651043524.db2.gz GLMKUGLFGKDGOX-OAHLLOKOSA-N 1 1 291.391 2.410 20 10 CECDMO CC(C)[C@@H](C)[N@@H+](C)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768439329 646122805 /nfs/dbraw/zinc/12/28/05/646122805.db2.gz KITJRTKQHZJKIA-QMTHXVAHSA-N 1 1 265.353 2.294 20 10 CECDMO C[C@@H]1CCC[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768438033 646122872 /nfs/dbraw/zinc/12/28/72/646122872.db2.gz OQQYSNPMFGOMRN-QMTHXVAHSA-N 1 1 263.337 2.050 20 10 CECDMO COc1cc(C[N@@H+]2CC[C@@H](N3CCCC3)C2)c(O)cc1C ZINC000768452034 646125522 /nfs/dbraw/zinc/12/55/22/646125522.db2.gz NJFWCHDQTKQZJG-OAHLLOKOSA-N 1 1 290.407 2.379 20 10 CECDMO COc1cc(C[N@H+]2CC[C@@H](N3CCCC3)C2)c(O)cc1C ZINC000768452034 646125524 /nfs/dbraw/zinc/12/55/24/646125524.db2.gz NJFWCHDQTKQZJG-OAHLLOKOSA-N 1 1 290.407 2.379 20 10 CECDMO C[N@@H+](Cc1cc2c(cc1O)CCCC2)[C@@H]1CCOC1 ZINC000768450111 646125580 /nfs/dbraw/zinc/12/55/80/646125580.db2.gz HWYQOKFCECHZGV-OAHLLOKOSA-N 1 1 261.365 2.492 20 10 CECDMO C[C@H]([N@@H+](C)Cc1cc2c(cc1O)OC[C@H]2O)C1(C)CC1 ZINC000768463645 646126657 /nfs/dbraw/zinc/12/66/57/646126657.db2.gz KWTAFDQCZGECTJ-IINYFYTJSA-N 1 1 277.364 2.438 20 10 CECDMO CCOc1cccc(C[N@@H+](C)[C@H]2CCN(C3CC3)C2)c1O ZINC000769327253 646246318 /nfs/dbraw/zinc/24/63/18/646246318.db2.gz UUXJAAJEWCFGMZ-HNNXBMFYSA-N 1 1 290.407 2.459 20 10 CECDMO CCOc1cccc(CN(C)[C@H]2CC[N@@H+](C3CC3)C2)c1O ZINC000769327253 646246322 /nfs/dbraw/zinc/24/63/22/646246322.db2.gz UUXJAAJEWCFGMZ-HNNXBMFYSA-N 1 1 290.407 2.459 20 10 CECDMO CCOc1cccc(CN(C)[C@H]2CC[N@H+](C3CC3)C2)c1O ZINC000769327253 646246326 /nfs/dbraw/zinc/24/63/26/646246326.db2.gz UUXJAAJEWCFGMZ-HNNXBMFYSA-N 1 1 290.407 2.459 20 10 CECDMO CCOc1ccc(O)c(C[N@@H+](CCCO)C2CC2)c1 ZINC000769405763 646261294 /nfs/dbraw/zinc/26/12/94/646261294.db2.gz XSWRBOPBBFFZSX-UHFFFAOYSA-N 1 1 265.353 2.138 20 10 CECDMO CCOc1ccc(C[NH+]2CCN(C3CCC3)CC2)c(O)c1 ZINC000769410401 646262250 /nfs/dbraw/zinc/26/22/50/646262250.db2.gz CCNOZHYXYTYSEL-UHFFFAOYSA-N 1 1 290.407 2.461 20 10 CECDMO CCOc1ccc(C[N@H+]2C[C@H](C)[C@@H](C(=O)OC)C2)c(O)c1 ZINC000769514546 646280078 /nfs/dbraw/zinc/28/00/78/646280078.db2.gz JDQSFATZBINQGO-FZMZJTMJSA-N 1 1 293.363 2.032 20 10 CECDMO COc1cccc(C[N@H+]2CCC[C@H]3COCC[C@@H]32)c1O ZINC000770285335 646376920 /nfs/dbraw/zinc/37/69/20/646376920.db2.gz GBFWIYHXBKYFCY-KBPBESRZSA-N 1 1 277.364 2.402 20 10 CECDMO COc1cccc(C[NH2+][C@H]2CCN(C)C(C)(C)C2)c1O ZINC000862367503 646418245 /nfs/dbraw/zinc/41/82/45/646418245.db2.gz KXKGNLAZHGTMKT-ZDUSSCGKSA-N 1 1 278.396 2.363 20 10 CECDMO CC[N@@H+](Cc1cc(F)c(N(C)C)cc1F)[C@@H](C)CO ZINC000862378129 646425565 /nfs/dbraw/zinc/42/55/65/646425565.db2.gz PGZZRBQOLZGGAS-JTQLQIEISA-N 1 1 272.339 2.234 20 10 CECDMO C[C@H]1C[C@H](CO)C[N@@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862396069 646437147 /nfs/dbraw/zinc/43/71/47/646437147.db2.gz GQIXRLRNOBHFNX-RYUDHWBXSA-N 1 1 298.377 2.481 20 10 CECDMO CCc1cccc(C[N@@H+](C)[C@@H]2CCC(=O)N(C)C2)c1O ZINC000862428132 646456763 /nfs/dbraw/zinc/45/67/63/646456763.db2.gz LMZIFABIOXGZHO-CQSZACIVSA-N 1 1 276.380 2.007 20 10 CECDMO CC(=O)c1cc(Cl)cc(C[NH2+][C@H](CO)C2CC2)c1O ZINC000771807798 646553371 /nfs/dbraw/zinc/55/33/71/646553371.db2.gz LXHYBVXELUDHDQ-CYBMUJFWSA-N 1 1 283.755 2.109 20 10 CECDMO Oc1cc2c(cc1C[N@H+]1CCO[C@@H](CCF)C1)CCC2 ZINC000863316960 646702926 /nfs/dbraw/zinc/70/29/26/646702926.db2.gz URAHNHNVPFMJIE-HNNXBMFYSA-N 1 1 279.355 2.441 20 10 CECDMO C[NH2+]CCOCC[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000863544092 646752733 /nfs/dbraw/zinc/75/27/33/646752733.db2.gz KQLINEBIXCICDZ-ZDUSSCGKSA-N 1 1 288.391 2.432 20 10 CECDMO CC[C@H]([NH2+]CCOCCC[NH3+])c1cc(Cl)ccc1[O-] ZINC000863547040 646754104 /nfs/dbraw/zinc/75/41/04/646754104.db2.gz OFJSDZSVHABRBS-ZDUSSCGKSA-N 1 1 286.803 2.452 20 10 CECDMO CCN(C)c1ccc(C[N@@H+](C)CCN2CCCC2=O)cc1 ZINC000773754513 646773258 /nfs/dbraw/zinc/77/32/58/646773258.db2.gz GOADBRSMLOXCRB-UHFFFAOYSA-N 1 1 289.423 2.197 20 10 CECDMO CCN(C)c1ccc(C[N@H+](CC)Cc2cn(C)nn2)cc1 ZINC000773830150 646778425 /nfs/dbraw/zinc/77/84/25/646778425.db2.gz DUYDMILCHUSPPY-UHFFFAOYSA-N 1 1 287.411 2.293 20 10 CECDMO CCN(C)c1ccc(C[N@@H+](CC)Cc2cn(C)nn2)cc1 ZINC000773830150 646778427 /nfs/dbraw/zinc/77/84/27/646778427.db2.gz DUYDMILCHUSPPY-UHFFFAOYSA-N 1 1 287.411 2.293 20 10 CECDMO CCN(C)c1ccc(C[N@@H+](C)[C@@H](C)C[S@@](C)=O)cc1 ZINC000773839842 646779700 /nfs/dbraw/zinc/77/97/00/646779700.db2.gz OATVSKHYQQVQAI-ORAYPTAESA-N 1 1 282.453 2.342 20 10 CECDMO CCN(C)c1ccc(C[N@H+]2CC[C@@H](C)[C@@H]2CO)cc1 ZINC000773887132 646784452 /nfs/dbraw/zinc/78/44/52/646784452.db2.gz BJBAGRDBZWTGLL-CJNGLKHVSA-N 1 1 262.397 2.345 20 10 CECDMO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cc(OC)c(OC)cc1O ZINC000775642836 646975290 /nfs/dbraw/zinc/97/52/90/646975290.db2.gz PCYLUEANKFRXMR-WCQYABFASA-N 1 1 295.379 2.409 20 10 CECDMO C[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C[C@@H]1F ZINC000777964956 647193216 /nfs/dbraw/zinc/19/32/16/647193216.db2.gz SKGYIJOZKYDKMZ-KOLCDFICSA-N 1 1 267.300 2.301 20 10 CECDMO C[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)OCO3)C[C@@H]1F ZINC000777964956 647193221 /nfs/dbraw/zinc/19/32/21/647193221.db2.gz SKGYIJOZKYDKMZ-KOLCDFICSA-N 1 1 267.300 2.301 20 10 CECDMO CCCCCC[N@@H+](C)CC(=O)NCc1ccc(O)c(O)c1 ZINC000778919597 647274460 /nfs/dbraw/zinc/27/44/60/647274460.db2.gz GNGZUNZJNPFLJU-UHFFFAOYSA-N 1 1 294.395 2.226 20 10 CECDMO C[C@@H]([NH2+][C@H]1CCn2ccnc2C1)c1ccc(F)cc1O ZINC000779063686 647284616 /nfs/dbraw/zinc/28/46/16/647284616.db2.gz CAHNFQXJBWPBHJ-PWSUYJOCSA-N 1 1 275.327 2.393 20 10 CECDMO COc1ccc(O)c(C[N@@H+]2CCc3ncsc3C2)c1 ZINC000783736903 647755035 /nfs/dbraw/zinc/75/50/35/647755035.db2.gz NBEWQLZOAZMOFM-UHFFFAOYSA-N 1 1 276.361 2.416 20 10 CECDMO COc1ccc(O)c(C[N@H+]2CCc3ncsc3C2)c1 ZINC000783736903 647755040 /nfs/dbraw/zinc/75/50/40/647755040.db2.gz NBEWQLZOAZMOFM-UHFFFAOYSA-N 1 1 276.361 2.416 20 10 CECDMO CC[C@]1(C)C[N@@H+](Cc2c(O)cccc2OC)CCO1 ZINC000785984556 647975585 /nfs/dbraw/zinc/97/55/85/647975585.db2.gz LLFXIMUEDWFFKJ-OAHLLOKOSA-N 1 1 265.353 2.402 20 10 CECDMO CC[N@@H+](CCNC(=O)N[C@H](C)c1ccccc1O)C(C)C ZINC000868218264 648075298 /nfs/dbraw/zinc/07/52/98/648075298.db2.gz CAYLZERXWDYPAW-CYBMUJFWSA-N 1 1 293.411 2.483 20 10 CECDMO C[C@H](CNC(=O)N[C@@H](C)c1ccccc1O)[N@@H+](C)C1CC1 ZINC000868371833 648110425 /nfs/dbraw/zinc/11/04/25/648110425.db2.gz HMXKCWXCBKMMFM-NEPJUHHUSA-N 1 1 291.395 2.235 20 10 CECDMO C[C@H]([NH2+]Cc1cc(Cl)ccc1O)c1ncnn1C ZINC000788971615 648239518 /nfs/dbraw/zinc/23/95/18/648239518.db2.gz PYYYVLZFYCHQDO-QMMMGPOBSA-N 1 1 266.732 2.025 20 10 CECDMO C[C@@]1([NH2+]Cc2c(O)ccc(Cl)c2F)CCOC1 ZINC000790979682 648467730 /nfs/dbraw/zinc/46/77/30/648467730.db2.gz GEYURVKVQGIJKS-GFCCVEGCSA-N 1 1 259.708 2.453 20 10 CECDMO Oc1cc2c(cc1C[N@H+]1CC[C@@H]3CSC[C@@H]3C1)OCO2 ZINC000872723533 649469447 /nfs/dbraw/zinc/46/94/47/649469447.db2.gz ZOWNJQTVXGAXIB-PWSUYJOCSA-N 1 1 293.388 2.306 20 10 CECDMO COC(=O)c1csc(C[NH2+][C@H](C)c2ccccc2O)n1 ZINC000879649105 651335203 /nfs/dbraw/zinc/33/52/03/651335203.db2.gz IGKYFFKRHRJVTL-SECBINFHSA-N 1 1 292.360 2.486 20 10 CECDMO CCN(C)c1ccc(C[N@@H+](C)[C@H]2CCOC[C@@H]2OC)cc1 ZINC000880438151 651441092 /nfs/dbraw/zinc/44/10/92/651441092.db2.gz XRMRCNHPFUOKCE-IRXDYDNUSA-N 1 1 292.423 2.378 20 10 CECDMO Cc1cc(C[N@H+]2[C@H](C)CC[C@@H]2CO)ccc1N(C)C ZINC000880443475 651441869 /nfs/dbraw/zinc/44/18/69/651441869.db2.gz JCGURJOXCCGHQV-UKRRQHHQSA-N 1 1 262.397 2.406 20 10 CECDMO Oc1c(F)cc(F)cc1C[NH2+]CCCNc1ncccn1 ZINC000883031132 652335100 /nfs/dbraw/zinc/33/51/00/652335100.db2.gz KKMMVLOCERHBBO-UHFFFAOYSA-N 1 1 294.305 2.052 20 10 CECDMO Oc1c(F)cc(F)cc1C[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000883158242 652382856 /nfs/dbraw/zinc/38/28/56/652382856.db2.gz ZFNKTTFFYXBVLJ-JLLWLGSASA-N 1 1 255.264 2.080 20 10 CECDMO CC[C@@H]1COCC[N@H+]1Cc1cc(OC)ccc1O ZINC000132339030 652514152 /nfs/dbraw/zinc/51/41/52/652514152.db2.gz OPWVHBODHUKJOO-GFCCVEGCSA-N 1 1 251.326 2.012 20 10 CECDMO C[N@H+](Cc1ccc(N2CCCC2)cc1)C[C@H](O)C1CC1 ZINC001117637661 814933867 /nfs/dbraw/zinc/93/38/67/814933867.db2.gz HDRVWHGMYSQUCP-KRWDZBQOSA-N 1 1 274.408 2.490 20 10 CECDMO OC[C@H]1C[N@@H+](Cc2ccc(Cl)cc2O)CCC1(F)F ZINC001140461957 802936207 /nfs/dbraw/zinc/93/62/07/802936207.db2.gz ZZURHMBQJYTWMF-SNVBAGLBSA-N 1 1 291.725 2.495 20 10 CECDMO Cc1ccc(O)c(C[N@H+]2CCC[C@]3(CCC(=O)O3)C2)c1 ZINC001140622854 803245491 /nfs/dbraw/zinc/24/54/91/803245491.db2.gz BZYOWZZVTVTQCR-INIZCTEOSA-N 1 1 275.348 2.372 20 10 CECDMO CCN(CC)c1ccc(C[N@@H+]2C[C@H](O)[C@@H](C)C2)c(O)c1 ZINC001140850011 803583481 /nfs/dbraw/zinc/58/34/81/803583481.db2.gz ABZNKNBKXVXUEA-LRDDRELGSA-N 1 1 278.396 2.051 20 10 CECDMO CC(C)c1nc(CC[N@@H+](C)Cc2cc(O)ccc2O)no1 ZINC001141156550 803758092 /nfs/dbraw/zinc/75/80/92/803758092.db2.gz MXYLZJYAPZLTSV-UHFFFAOYSA-N 1 1 291.351 2.279 20 10 CECDMO C[N@@H+]1CC[C@@]2(CC[NH+](Cc3c(F)ccc(F)c3[O-])C2)C1 ZINC001139686223 804459775 /nfs/dbraw/zinc/45/97/75/804459775.db2.gz QLGUTWLKKWQSTA-OAHLLOKOSA-N 1 1 282.334 2.198 20 10 CECDMO C[N@H+]1CC[C@@]2(CC[NH+](Cc3c(F)ccc(F)c3[O-])C2)C1 ZINC001139686223 804459781 /nfs/dbraw/zinc/45/97/81/804459781.db2.gz QLGUTWLKKWQSTA-OAHLLOKOSA-N 1 1 282.334 2.198 20 10 CECDMO C[NH+]1CC[C@@]2(CC[N@H+](Cc3c(F)ccc(F)c3[O-])C2)C1 ZINC001139686223 804459785 /nfs/dbraw/zinc/45/97/85/804459785.db2.gz QLGUTWLKKWQSTA-OAHLLOKOSA-N 1 1 282.334 2.198 20 10 CECDMO C[NH+]1CC[C@@]2(CC[N@@H+](Cc3c(F)ccc(F)c3[O-])C2)C1 ZINC001139686223 804459788 /nfs/dbraw/zinc/45/97/88/804459788.db2.gz QLGUTWLKKWQSTA-OAHLLOKOSA-N 1 1 282.334 2.198 20 10 CECDMO COc1cc(C)c(C[N@H+]2C[C@@H](C)[C@@H](F)C2)c(O)c1 ZINC001236809700 808169672 /nfs/dbraw/zinc/16/96/72/808169672.db2.gz ZVWWIBFYNFOTAX-MFKMUULPSA-N 1 1 253.317 2.499 20 10 CECDMO COC(=O)C[C@H]1CCC[N@@H+](Cc2c(C)cccc2O)C1 ZINC001237492402 808221506 /nfs/dbraw/zinc/22/15/06/808221506.db2.gz OMPCQMKXSKPMSI-CYBMUJFWSA-N 1 1 277.364 2.476 20 10 CECDMO CC(=O)c1cc(Cl)cc(C[N@H+](C)C[C@H]2C[C@@H](O)C2)c1O ZINC000703857632 809697834 /nfs/dbraw/zinc/69/78/34/809697834.db2.gz KOHHJGSKWVCMID-GSJFWJNXSA-N 1 1 297.782 2.451 20 10 CECDMO CC(=O)c1cc(Cl)cc(C[N@@H+](C)C[C@H]2C[C@@H](O)C2)c1O ZINC000703857632 809697839 /nfs/dbraw/zinc/69/78/39/809697839.db2.gz KOHHJGSKWVCMID-GSJFWJNXSA-N 1 1 297.782 2.451 20 10 CECDMO C[N@H+](Cc1c(O)cccc1Br)[C@H]1CCOC1 ZINC000707134675 809880917 /nfs/dbraw/zinc/88/09/17/809880917.db2.gz 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ZINC000897362674 631196482 /nfs/dbraw/zinc/19/64/82/631196482.db2.gz ZETMRCBOOAWARI-UHFFFAOYSA-N 1 1 299.374 2.286 20 10 CECDMO CNC(=O)C[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841752542 631690979 /nfs/dbraw/zinc/69/09/79/631690979.db2.gz BGLJSQAZIPRVQS-RKDXNWHRSA-N 1 1 270.760 2.221 20 10 CECDMO C[C@H]([NH2+]C[C@H](CO)[C@H]1CCOC1)c1ccc(Cl)cc1O ZINC000841754068 631749813 /nfs/dbraw/zinc/74/98/13/631749813.db2.gz YSWRIPQNIYDVLS-SDDRHHMPSA-N 1 1 299.798 2.341 20 10 CECDMO Oc1ccc(Cl)c(F)c1CNC[C@H]1CCCC[NH2+]1 ZINC000841033153 631820627 /nfs/dbraw/zinc/82/06/27/631820627.db2.gz NOBDZINEOBUTNA-SECBINFHSA-N 1 1 272.751 2.416 20 10 CECDMO CCC[N@H+]1CCC[C@H]1CNC(=O)C1=CC(=O)CS1 ZINC000807748238 631867316 /nfs/dbraw/zinc/86/73/16/631867316.db2.gz QVMUVHSEIMDJDE-JTQLQIEISA-N 1 1 268.382 2.058 20 10 CECDMO COc1c(O)c(C[NH2+][C@@H]2CSC[C@H]2C)ccc1[N+](=O)[O-] ZINC000809703790 632130540 /nfs/dbraw/zinc/13/05/40/632130540.db2.gz UFKGBBYKANAWSB-PSASIEDQSA-N 1 1 298.364 2.150 20 10 CECDMO CN(C)c1ccc(CNC[C@@]2(C)CCC[NH2+]C2)cc1F ZINC000841058338 632361172 /nfs/dbraw/zinc/36/11/72/632361172.db2.gz VUAKOTULPLKYLN-INIZCTEOSA-N 1 1 279.403 2.371 20 10 CECDMO CCOCc1cc(CN[C@H]2CC[NH2+]C[C@H]2C)ccc1OC ZINC000841063156 632372904 /nfs/dbraw/zinc/37/29/04/632372904.db2.gz FDICYUWIMJMJQR-CJNGLKHVSA-N 1 1 292.423 2.319 20 10 CECDMO COc1cccc(O)c1C[N@H+]1CC[C@H](n2cc(C)cn2)C1 ZINC000811518134 632394752 /nfs/dbraw/zinc/39/47/52/632394752.db2.gz HNPHALSOLYVZGV-ZDUSSCGKSA-N 1 1 287.363 2.353 20 10 CECDMO CC[C@@H]([NH2+]CCO[C@H]1CCOC1)c1ccc(F)cc1O ZINC000927080134 632448267 /nfs/dbraw/zinc/44/82/67/632448267.db2.gz HIAKOXDSDKFPRE-GXTWGEPZSA-N 1 1 283.343 2.378 20 10 CECDMO Cc1cc(O)c(C[N@@H+]2CC[C@@H]3CN(C)C[C@@H]32)cc1C ZINC000814172923 632798077 /nfs/dbraw/zinc/79/80/77/632798077.db2.gz DDXHQBJMVBGIRQ-HIFRSBDPSA-N 1 1 260.381 2.145 20 10 CECDMO CCOc1ccc(C[N@H+](C)[C@H]2CC(C)(C)OC2=O)c(O)c1 ZINC000814181131 632801954 /nfs/dbraw/zinc/80/19/54/632801954.db2.gz WBLIKEDTRAOJMX-ZDUSSCGKSA-N 1 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ZUHLOVHSWGSNEN-OAHLLOKOSA-N 1 1 284.359 2.256 20 10 CECDMO CCN(CC)C(=O)C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816542216 633409396 /nfs/dbraw/zinc/40/93/96/633409396.db2.gz HHARLJNTNWUINL-UHFFFAOYSA-N 1 1 288.750 2.143 20 10 CECDMO Cc1[nH+]ccn1CC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816544639 633410287 /nfs/dbraw/zinc/41/02/87/633410287.db2.gz NYSQOHVKQOXFKV-UHFFFAOYSA-N 1 1 283.734 2.479 20 10 CECDMO C[N@H+](Cc1cc(Cl)c(F)cc1[O-])C[C@H](O)C1CC1 ZINC000816611458 633420329 /nfs/dbraw/zinc/42/03/29/633420329.db2.gz QKXNVJVHQISOMG-ZDUSSCGKSA-N 1 1 273.735 2.387 20 10 CECDMO C[N@@H+](Cc1cc(Cl)c(F)cc1O)C[C@H](O)C1CC1 ZINC000816611458 633420332 /nfs/dbraw/zinc/42/03/32/633420332.db2.gz QKXNVJVHQISOMG-ZDUSSCGKSA-N 1 1 273.735 2.387 20 10 CECDMO C[N@H+](Cc1cc(Cl)c(F)cc1O)C[C@H](O)C1CC1 ZINC000816611458 633420334 /nfs/dbraw/zinc/42/03/34/633420334.db2.gz QKXNVJVHQISOMG-ZDUSSCGKSA-N 1 1 273.735 2.387 20 10 CECDMO CNC(=O)[C@H]1CC[N@@H+](Cc2cc(C(C)C)c(C)cc2O)C1 ZINC000817370704 633643359 /nfs/dbraw/zinc/64/33/59/633643359.db2.gz SCCRRHGFHLRXRF-ZDUSSCGKSA-N 1 1 290.407 2.392 20 10 CECDMO COc1ccc(C[NH2+]Cc2nn(C)c(C)c2Cl)c(O)c1 ZINC000817409191 633649747 /nfs/dbraw/zinc/64/97/47/633649747.db2.gz CXVKQAFYYXVRPB-UHFFFAOYSA-N 1 1 295.770 2.386 20 10 CECDMO Cc1cc(N(C)C)ccc1C[N@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000817413489 633651676 /nfs/dbraw/zinc/65/16/76/633651676.db2.gz YEYDYRIECPRQMA-INIZCTEOSA-N 1 1 292.423 2.033 20 10 CECDMO C[C@@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccncc1 ZINC000817939167 633788694 /nfs/dbraw/zinc/78/86/94/633788694.db2.gz AAPDPVRLNKBLQB-DYVFJYSZSA-N 1 1 284.407 2.498 20 10 CECDMO Cc1n[nH]cc1[C@H](C)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000817941401 633790083 /nfs/dbraw/zinc/79/00/83/633790083.db2.gz JQKHDWZPNKNUTB-ZBEGNZNMSA-N 1 1 287.411 2.135 20 10 CECDMO Nc1ccc(CC[NH2+][C@H]2CCCc3[nH]ncc32)cc1 ZINC000817957993 633800961 /nfs/dbraw/zinc/80/09/61/633800961.db2.gz RWPIXDLAFRAMJO-AWEZNQCLSA-N 1 1 256.353 2.202 20 10 CECDMO CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817962743 633804218 /nfs/dbraw/zinc/80/42/18/633804218.db2.gz NWQRCSVHZWTGHJ-GHMZBOCLSA-N 1 1 281.356 2.469 20 10 CECDMO C[C@@H](C[NH3+])C[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000817963018 633804756 /nfs/dbraw/zinc/80/47/56/633804756.db2.gz QFUTXYMEFYOXBG-IUCAKERBSA-N 1 1 287.201 2.400 20 10 CECDMO Cc1cc(Cl)cc([C@H](C)NCC2C[NH2+]C2)c1O ZINC000817965141 633807026 /nfs/dbraw/zinc/80/70/26/633807026.db2.gz MQSCZFUSEPDDRE-VIFPVBQESA-N 1 1 254.761 2.224 20 10 CECDMO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CNCC[C@@H]2C)c1 ZINC000817968997 633811125 /nfs/dbraw/zinc/81/11/25/633811125.db2.gz OVLWZZJZJJKZPK-MJVIPROJSA-N 1 1 264.369 2.049 20 10 CECDMO C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1cc(F)ccc1[O-] ZINC000817968454 633811369 /nfs/dbraw/zinc/81/13/69/633811369.db2.gz JNYDPBIILHZMTD-PWSUYJOCSA-N 1 1 252.333 2.324 20 10 CECDMO C[C@H]([NH2+][C@H]1CCCC[NH2+]C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817983940 633825754 /nfs/dbraw/zinc/82/57/54/633825754.db2.gz MBEBMYVJIXPTFE-QWRGUYRKSA-N 1 1 279.340 2.093 20 10 CECDMO COc1cccc(O)c1CN1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903959802 635369837 /nfs/dbraw/zinc/36/98/37/635369837.db2.gz OTLFABARUXBAEI-KRWDZBQOSA-N 1 1 290.407 2.366 20 10 CECDMO Cc1cc(O)c(CN2CCC[N@H+](C)CC2)cc1Cl ZINC000824474109 635433697 /nfs/dbraw/zinc/43/36/97/635433697.db2.gz ILFCPFAQKXXEJN-UHFFFAOYSA-N 1 1 268.788 2.492 20 10 CECDMO Cc1cc(O)c(C[N@H+]2CCCN(C)CC2)cc1Cl ZINC000824474109 635433701 /nfs/dbraw/zinc/43/37/01/635433701.db2.gz ILFCPFAQKXXEJN-UHFFFAOYSA-N 1 1 268.788 2.492 20 10 CECDMO Cc1cc(O)c(C[N@@H+]2CCCN(C)CC2)cc1Cl ZINC000824474109 635433706 /nfs/dbraw/zinc/43/37/06/635433706.db2.gz ILFCPFAQKXXEJN-UHFFFAOYSA-N 1 1 268.788 2.492 20 10 CECDMO CCOc1ccc(O)c(C[NH2+]Cc2nn(C)cc2Cl)c1 ZINC000824758549 635493417 /nfs/dbraw/zinc/49/34/17/635493417.db2.gz XUQHBYOUMFILNF-UHFFFAOYSA-N 1 1 295.770 2.468 20 10 CECDMO Cc1cc(O)c(C[N@H+]2CCC[C@@H](OCCO)C2)cc1Cl ZINC000824767787 635494581 /nfs/dbraw/zinc/49/45/81/635494581.db2.gz AXVDPMRXZICTIW-CYBMUJFWSA-N 1 1 299.798 2.327 20 10 CECDMO [NH3+]CC[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000904405485 635612406 /nfs/dbraw/zinc/61/24/06/635612406.db2.gz JXPROXVPLZSDSJ-SNVBAGLBSA-N 1 1 254.761 2.216 20 10 CECDMO CC(C)[N@@H+]1CC[C@@H](N(C)Cc2cccc(F)c2O)C1 ZINC000825337668 635619821 /nfs/dbraw/zinc/61/98/21/635619821.db2.gz HXQNXKDIRBYTPB-CYBMUJFWSA-N 1 1 266.360 2.446 20 10 CECDMO CC(C)[N@H+]1CC[C@@H](N(C)Cc2cccc(F)c2O)C1 ZINC000825337668 635619824 /nfs/dbraw/zinc/61/98/24/635619824.db2.gz HXQNXKDIRBYTPB-CYBMUJFWSA-N 1 1 266.360 2.446 20 10 CECDMO CC1(C)CC[N@@H+](CCNC(=O)Nc2ccc(N)cc2)C1 ZINC000904500424 635651663 /nfs/dbraw/zinc/65/16/63/635651663.db2.gz LXOIWFXKNROWQI-UHFFFAOYSA-N 1 1 276.384 2.122 20 10 CECDMO Cc1cc(O)c(C[N@@H+]2CCO[C@@]3(CCOC3)C2)cc1Cl ZINC000825536514 635656794 /nfs/dbraw/zinc/65/67/94/635656794.db2.gz KCJXPKZTEHDGBF-HNNXBMFYSA-N 1 1 297.782 2.345 20 10 CECDMO Cc1cc(O)c(C[N@H+]2CCO[C@@]3(CCOC3)C2)cc1Cl ZINC000825536514 635656799 /nfs/dbraw/zinc/65/67/99/635656799.db2.gz KCJXPKZTEHDGBF-HNNXBMFYSA-N 1 1 297.782 2.345 20 10 CECDMO CN(C)c1ccc(/C=C/C[N@@H+](C)C[C@@H]2COCCO2)cc1 ZINC000827140354 636232788 /nfs/dbraw/zinc/23/27/88/636232788.db2.gz KWLSCFYHBPSQJJ-LAQIPUCWSA-N 1 1 290.407 2.113 20 10 CECDMO C[N@@H+](CC[S@](C)=O)Cc1ccc(N2CCCCC2)cc1 ZINC000827337368 636297474 /nfs/dbraw/zinc/29/74/74/636297474.db2.gz VVWYZNAWZBIXHL-FQEVSTJZSA-N 1 1 294.464 2.487 20 10 CECDMO CC(C)NC(=O)[C@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000827687615 636391485 /nfs/dbraw/zinc/39/14/85/636391485.db2.gz RKEIMURZKRFTHG-LBPRGKRZSA-N 1 1 294.370 2.268 20 10 CECDMO CCc1cccc(C[N@H+]2C[C@@H](C)[C@](C)(CO)C2)c1O ZINC000827692274 636393072 /nfs/dbraw/zinc/39/30/72/636393072.db2.gz HDBRHZKIJXUARZ-WBMJQRKESA-N 1 1 263.381 2.405 20 10 CECDMO CCN(CC)c1ccc(C[N@@H+](C)C2(CO)CC2)cc1 ZINC000827904240 636456767 /nfs/dbraw/zinc/45/67/67/636456767.db2.gz XNMDIEWESGRVPV-UHFFFAOYSA-N 1 1 262.397 2.490 20 10 CECDMO C[N@H+](Cc1c(O)ccc(Cl)c1F)C1(CO)CC1 ZINC000827903480 636456778 /nfs/dbraw/zinc/45/67/78/636456778.db2.gz IHQKMOBXOMFZCO-UHFFFAOYSA-N 1 1 259.708 2.141 20 10 CECDMO C[N@@H+](Cc1c(O)ccc(Cl)c1F)C1(CO)CC1 ZINC000827903480 636456783 /nfs/dbraw/zinc/45/67/83/636456783.db2.gz IHQKMOBXOMFZCO-UHFFFAOYSA-N 1 1 259.708 2.141 20 10 CECDMO Cn1ncc2cc(C[N@@H+](C)Cc3ccccc3O)cnc21 ZINC000876616068 650360694 /nfs/dbraw/zinc/36/06/94/650360694.db2.gz RDPSLVWYTVLYRL-UHFFFAOYSA-N 1 1 282.347 2.306 20 10 CECDMO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCn2ccnc21 ZINC000834590565 637883907 /nfs/dbraw/zinc/88/39/07/637883907.db2.gz XBMMQENNGVQTAP-OAHLLOKOSA-N 1 1 270.380 2.492 20 10 CECDMO CC[C@@H]([NH2+][C@H](CC)c1ccc(F)cc1O)C(=O)NC ZINC000834915431 637987002 /nfs/dbraw/zinc/98/70/02/637987002.db2.gz YQISNWOQQNCKEA-VXGBXAGGSA-N 1 1 268.332 2.097 20 10 CECDMO CN(C)c1ccc(/C=C\C[N@@H+](CCO)C2CC2)cc1 ZINC000835026217 638028893 /nfs/dbraw/zinc/02/88/93/638028893.db2.gz SGJNMUNMBAHLQQ-ARJAWSKDSA-N 1 1 260.381 2.223 20 10 CECDMO CN(C)c1ccc(/C=C/C[N@@H+]2CC[C@@](F)(CO)C2)cc1 ZINC000835049861 638038575 /nfs/dbraw/zinc/03/85/75/638038575.db2.gz MWVIEKZBADEIGN-CWDCEQMOSA-N 1 1 278.371 2.172 20 10 CECDMO CN(C)c1ccc(/C=C/C[N@H+]2CC[C@@](F)(CO)C2)cc1 ZINC000835049861 638038581 /nfs/dbraw/zinc/03/85/81/638038581.db2.gz MWVIEKZBADEIGN-CWDCEQMOSA-N 1 1 278.371 2.172 20 10 CECDMO C[C@@H]([NH2+]C/C=C/c1ccc(N(C)C)cc1)c1ncnn1C ZINC000835051393 638039555 /nfs/dbraw/zinc/03/95/55/638039555.db2.gz ZZNHFLPSYSXJNM-URWSZGRFSA-N 1 1 285.395 2.245 20 10 CECDMO CN(C)c1ccc(/C=C/C[N@H+]2CCO[C@@H]3C[C@@H]32)cc1 ZINC000835052635 638039858 /nfs/dbraw/zinc/03/98/58/638039858.db2.gz IDBSNVDHTBXPSN-MEGKRXCUSA-N 1 1 258.365 2.239 20 10 CECDMO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3ccc(C)cc3O)[C@H]2C1 ZINC000876815460 650443671 /nfs/dbraw/zinc/44/36/71/650443671.db2.gz YELUBYHIFIKIDG-VYDXJSESSA-N 1 1 291.391 2.469 20 10 CECDMO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCCN(C)C2)c1 ZINC000044534963 639321784 /nfs/dbraw/zinc/32/17/84/639321784.db2.gz RIDCNRAHBOMUQX-QWHCGFSZSA-N 1 1 278.396 2.393 20 10 CECDMO COC[C@@H]1CCC[N@H+]1Cc1cc(C)cc(OC)c1O ZINC000164455582 639376263 /nfs/dbraw/zinc/37/62/63/639376263.db2.gz OUBNISKLAPZYOT-ZDUSSCGKSA-N 1 1 265.353 2.320 20 10 CECDMO Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000840910770 639582138 /nfs/dbraw/zinc/58/21/38/639582138.db2.gz RTBQWEPRCCADRP-HIFRSBDPSA-N 1 1 289.423 2.147 20 10 CECDMO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(N(C)C)cc1C ZINC000840910030 639582736 /nfs/dbraw/zinc/58/27/36/639582736.db2.gz JSKZQELFUINKPB-INIZCTEOSA-N 1 1 289.423 2.162 20 10 CECDMO CCC[N@@H+](CC(=O)N(C)C)Cc1ccc(N(C)C)cc1C ZINC000840912059 639582875 /nfs/dbraw/zinc/58/28/75/639582875.db2.gz ZQIRBGCOGNQPSM-UHFFFAOYSA-N 1 1 291.439 2.361 20 10 CECDMO Cc1cc(N(C)C)ccc1C[N@@H+](CCCO)C1CC1 ZINC000840915343 639584777 /nfs/dbraw/zinc/58/47/77/639584777.db2.gz PMSTYZUBBUWPDX-UHFFFAOYSA-N 1 1 262.397 2.408 20 10 CECDMO Cc1cc(N(C)C)ccc1C[N@H+](C)CC[C@@H](C)O ZINC000840917769 639585527 /nfs/dbraw/zinc/58/55/27/639585527.db2.gz MMMQWYUDCYTKEY-CYBMUJFWSA-N 1 1 250.386 2.264 20 10 CECDMO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C(N)=O)c1ccccc1 ZINC000840928750 639589511 /nfs/dbraw/zinc/58/95/11/639589511.db2.gz IIJTYABIFAKJHD-KRWDZBQOSA-N 1 1 297.402 2.377 20 10 CECDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@@H]1CCO ZINC000840938110 639592120 /nfs/dbraw/zinc/59/21/20/639592120.db2.gz CQGNWHWLBZSHBN-OAHLLOKOSA-N 1 1 262.397 2.408 20 10 CECDMO Cc1cc(N(C)C)ccc1C[N@H+](CCO)[C@H]1CCO[C@H]1C ZINC000840949833 639598155 /nfs/dbraw/zinc/59/81/55/639598155.db2.gz CNMRCIAEKMZVPY-YOEHRIQHSA-N 1 1 292.423 2.033 20 10 CECDMO CC(C)NC(=O)[C@@H](C)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000840974333 639606372 /nfs/dbraw/zinc/60/63/72/639606372.db2.gz GRORPQNOEGVUFH-MRVPVSSYSA-N 1 1 288.750 2.187 20 10 CECDMO CCOc1ccc(C[N@H+]2CCC[C@H](CO)[C@H]2C)c(O)c1 ZINC000840977470 639607086 /nfs/dbraw/zinc/60/70/86/639607086.db2.gz IHIGSUCJVVZIRP-TZMCWYRMSA-N 1 1 279.380 2.384 20 10 CECDMO CCOc1cccc(CNCC([NH3+])(CC)CC)c1O ZINC000841031417 639622469 /nfs/dbraw/zinc/62/24/69/639622469.db2.gz SYHLEGZMWCADPI-UHFFFAOYSA-N 1 1 266.385 2.398 20 10 CECDMO CC(C)C[C@@H](CN)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000841038753 639629092 /nfs/dbraw/zinc/62/90/92/639629092.db2.gz PNESJSYHQFOPFD-ZDUSSCGKSA-N 1 1 267.392 2.355 20 10 CECDMO Cc1ncccc1C[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000841043345 639629491 /nfs/dbraw/zinc/62/94/91/639629491.db2.gz OASZZPLVPHMHOL-KRWDZBQOSA-N 1 1 284.407 2.246 20 10 CECDMO Cc1cc(Br)cc(CNCC2([NH3+])CCC2)c1O ZINC000841049661 639631999 /nfs/dbraw/zinc/63/19/99/639631999.db2.gz VAGQOKQRPJRHIX-UHFFFAOYSA-N 1 1 299.212 2.434 20 10 CECDMO Oc1c(F)cc(Cl)cc1CN[C@H]1C[NH2+]CCC1(F)F ZINC000841075928 639645741 /nfs/dbraw/zinc/64/57/41/639645741.db2.gz ZRCPYADUTVLJOB-JTQLQIEISA-N 1 1 294.704 2.272 20 10 CECDMO C[C@H]1CCN(Cc2ccc(N(C)C)c(F)c2)C[C@H]1C[NH3+] ZINC000841101388 639668283 /nfs/dbraw/zinc/66/82/83/639668283.db2.gz VSBSIARERROASK-GXTWGEPZSA-N 1 1 279.403 2.308 20 10 CECDMO [NH3+]C[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000843047171 640251217 /nfs/dbraw/zinc/25/12/17/640251217.db2.gz HXIPKMZCMLKAFR-VIFPVBQESA-N 1 1 272.751 2.355 20 10 CECDMO [NH3+]C[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000843047171 640251221 /nfs/dbraw/zinc/25/12/21/640251221.db2.gz HXIPKMZCMLKAFR-VIFPVBQESA-N 1 1 272.751 2.355 20 10 CECDMO [NH3+]C[C@H]1CCCN(Cc2c(O)ccc(Cl)c2F)C1 ZINC000843047772 640252490 /nfs/dbraw/zinc/25/24/90/640252490.db2.gz TWNPNMSCGGIMSV-SECBINFHSA-N 1 1 272.751 2.355 20 10 CECDMO [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000843120273 640289285 /nfs/dbraw/zinc/28/92/85/640289285.db2.gz CJVGSZJSIHMPQL-AWEZNQCLSA-N 1 1 284.762 2.370 20 10 CECDMO [O-]c1c(F)cc(Cl)cc1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000843120273 640289287 /nfs/dbraw/zinc/28/92/87/640289287.db2.gz CJVGSZJSIHMPQL-AWEZNQCLSA-N 1 1 284.762 2.370 20 10 CECDMO Oc1c(F)cc(Cl)cc1CN1CC[C@]2(CC[NH2+]C2)C1 ZINC000843120273 640289290 /nfs/dbraw/zinc/28/92/90/640289290.db2.gz 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OC[C@]12C[C@H]1C[N@@H+](Cc1ccc(N3CCCCC3)cc1)C2 ZINC000783745888 647756637 /nfs/dbraw/zinc/75/66/37/647756637.db2.gz WXPUTUNYBDOFDU-FUHWJXTLSA-N 1 1 286.419 2.491 20 10 CECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)c1 ZINC000866443976 647789201 /nfs/dbraw/zinc/78/92/01/647789201.db2.gz XLMFKXSCGLDRRQ-FBKDDSFISA-N 1 1 293.363 2.395 20 10 CECDMO COC(=O)[C@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2)[C@@H]1C ZINC000787421145 648107400 /nfs/dbraw/zinc/10/74/00/648107400.db2.gz NUUOWKHLIKYWQP-DOMZBBRYSA-N 1 1 276.380 2.136 20 10 CECDMO Cc1ccc(C[N@@H+](CCO)Cc2ccccc2O)o1 ZINC000793365220 648746378 /nfs/dbraw/zinc/74/63/78/648746378.db2.gz ISFONUOJCBGTJG-UHFFFAOYSA-N 1 1 261.321 2.288 20 10 CECDMO CCCNC(=O)C[N@@H+](CCC)Cc1ccc(N(C)C)cc1 ZINC000123237767 648852514 /nfs/dbraw/zinc/85/25/14/648852514.db2.gz ZNVSCPYYYOKXOX-UHFFFAOYSA-N 1 1 291.439 2.491 20 10 CECDMO CCCOc1ccc(C[NH2+]Cc2nncn2C)cc1C ZINC000873012629 649530133 /nfs/dbraw/zinc/53/01/33/649530133.db2.gz LFPZWCUHMYUNLZ-UHFFFAOYSA-N 1 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C[C@@H]1C[N@@H+](Cc2c([O-])cccc2Cl)C[C@H]1C[NH3+] ZINC000708888915 809937684 /nfs/dbraw/zinc/93/76/84/809937684.db2.gz IUUWGGFTWLGVHU-NXEZZACHSA-N 1 1 254.761 2.072 20 10 CECDMO CC[N@@H+](Cc1ccccc1O)[C@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172181512 815330887 /nfs/dbraw/zinc/33/08/87/815330887.db2.gz XRONDFUNAXOQEG-GJZGRUSLSA-N 1 1 288.391 2.368 20 10 CECDMO CN1CCC[C@H](C[NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000381742123 810864439 /nfs/dbraw/zinc/86/44/39/810864439.db2.gz PIOZBCPDFONMRL-OCCSQVGLSA-N 1 1 260.381 2.311 20 10 CECDMO COC(=O)[C@@H]1CC[C@@H]([N@@H+](C)Cc2ccccc2O)C1 ZINC001170559624 812668118 /nfs/dbraw/zinc/66/81/18/812668118.db2.gz CJGMKNLEZMCNFC-DGCLKSJQSA-N 1 1 263.337 2.166 20 10 CECDMO [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000389118721 813248233 /nfs/dbraw/zinc/24/82/33/813248233.db2.gz MUGZSIQNZZICBI-TXEJJXNPSA-N 1 1 280.799 2.477 20 10 CECDMO [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000389118721 813248237 /nfs/dbraw/zinc/24/82/37/813248237.db2.gz 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CC[C@H](CO)[N@H+](C)Cc1c(O)ccc(Cl)c1F ZINC000824534028 635444129 /nfs/dbraw/zinc/44/41/29/635444129.db2.gz XULZLXOAVMNQHG-MRVPVSSYSA-N 1 1 261.724 2.387 20 10 CECDMO CC[C@H](CO)[N@@H+](C)Cc1c(O)ccc(Cl)c1F ZINC000824534028 635444132 /nfs/dbraw/zinc/44/41/32/635444132.db2.gz XULZLXOAVMNQHG-MRVPVSSYSA-N 1 1 261.724 2.387 20 10 CECDMO COc1cc(O)c(C[N@@H+]2CC[C@@H](OC)[C@H](C)C2)cc1OC ZINC000824815316 635503687 /nfs/dbraw/zinc/50/36/87/635503687.db2.gz LRHBUMJNLOWLKT-BXUZGUMPSA-N 1 1 295.379 2.266 20 10 CECDMO [NH3+]CC[C@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000904405484 635612153 /nfs/dbraw/zinc/61/21/53/635612153.db2.gz JXPROXVPLZSDSJ-JTQLQIEISA-N 1 1 254.761 2.216 20 10 CECDMO CN(C)c1ccc(/C=C/CN2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000904420544 635631772 /nfs/dbraw/zinc/63/17/72/635631772.db2.gz SEMQXNXYUKESRM-OAZXXZECSA-N 1 1 285.435 2.307 20 10 CECDMO Cc1cc(O)c(C[N@@H+]2C[C@H](O)C[C@@H]2C)cc1Cl ZINC000825666083 635689524 /nfs/dbraw/zinc/68/95/24/635689524.db2.gz 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291.439 2.252 20 10 CECDMO [O-]c1ccccc1C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000841087122 639651554 /nfs/dbraw/zinc/65/15/54/639651554.db2.gz NBADVLLGPVCQSA-HIFRSBDPSA-N 1 1 260.381 2.356 20 10 CECDMO [O-]c1ccccc1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000841087122 639651557 /nfs/dbraw/zinc/65/15/57/639651557.db2.gz NBADVLLGPVCQSA-HIFRSBDPSA-N 1 1 260.381 2.356 20 10 CECDMO Oc1ccc(Cl)c(F)c1CN[C@@H]1CCCC[NH2+]C1 ZINC000841090183 639653367 /nfs/dbraw/zinc/65/33/67/639653367.db2.gz MJLYMIPNAVUVKH-SECBINFHSA-N 1 1 272.751 2.416 20 10 CECDMO c1cc2c(cc1CNCC[NH+]1CCCC1)CCCO2 ZINC000228828454 639661105 /nfs/dbraw/zinc/66/11/05/639661105.db2.gz OFAPKCKIHCAXFE-UHFFFAOYSA-N 1 1 260.381 2.197 20 10 CECDMO N[C@@H]1C[N@H+](Cc2ccccc2O)C[C@H]1c1ccccc1F ZINC000841103787 639677043 /nfs/dbraw/zinc/67/70/43/639677043.db2.gz KXUZOYAHZSQTTF-GOEBONIOSA-N 1 1 286.350 2.458 20 10 CECDMO N[C@@H]1C[N@@H+](Cc2ccccc2O)C[C@H]1c1ccccc1F ZINC000841103787 639677170 /nfs/dbraw/zinc/67/71/70/639677170.db2.gz KXUZOYAHZSQTTF-GOEBONIOSA-N 1 1 286.350 2.458 20 10 CECDMO C[C@@H]([NH2+][C@@H]1CCCN(C)C1)c1ccc(F)cc1O ZINC000062748000 639783588 /nfs/dbraw/zinc/78/35/88/639783588.db2.gz YEUXGHKWNWAQNX-ZYHUDNBSSA-N 1 1 252.333 2.276 20 10 CECDMO C[C@@H]([NH2+]CCOCC[NH+](C)C)c1ccc(Cl)cc1[O-] ZINC000841751794 639858663 /nfs/dbraw/zinc/85/86/63/639858663.db2.gz KBENSEQVASQMPX-LLVKDONJSA-N 1 1 286.803 2.274 20 10 CECDMO C[NH2+]C[C@@H]1CCN(Cc2c(O)ccc(Cl)c2F)C1 ZINC000843052185 640254574 /nfs/dbraw/zinc/25/45/74/640254574.db2.gz JXWBMIAVSQZJNQ-VIFPVBQESA-N 1 1 272.751 2.226 20 10 CECDMO C[NH2+]C[C@H]1CCN(C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000843052091 640254647 /nfs/dbraw/zinc/25/46/47/640254647.db2.gz FZMTYAKJEBDMOK-YIEVGGLXSA-N 1 1 273.424 2.307 20 10 CECDMO C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000843052785 640255761 /nfs/dbraw/zinc/25/57/61/640255761.db2.gz WEOIMXPFCYTYMB-MNOVXSKESA-N 1 1 252.333 2.091 20 10 CECDMO C[NH2+]C[C@@H]1CCN(Cc2cccc(Br)c2O)C1 ZINC000843053496 640256024 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[O-]c1c(Cl)cccc1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000843127713 640294169 /nfs/dbraw/zinc/29/41/69/640294169.db2.gz SIYWXYIARAGREP-ZWNOBZJWSA-N 1 1 266.772 2.229 20 10 CECDMO Cc1cccc(C[N@H+]2CC[C@@H](Nc3ncccn3)C2)c1O ZINC000843414958 640420779 /nfs/dbraw/zinc/42/07/79/640420779.db2.gz PBCJMZPKQUSRRI-CQSZACIVSA-N 1 1 284.363 2.177 20 10 CECDMO CCc1[nH+]ccn1[C@@H](C)CC(=O)NCc1ccccc1O ZINC000843833532 640537912 /nfs/dbraw/zinc/53/79/12/640537912.db2.gz UTWXJBIUCUJVMV-LBPRGKRZSA-N 1 1 287.363 2.419 20 10 CECDMO C[C@H]1CCC[N@@H+](Cc2cccc(F)c2[O-])[C@@H]1CC[NH3+] ZINC000844901219 640860414 /nfs/dbraw/zinc/86/04/14/640860414.db2.gz FZCVMLSBEXUJPN-SMDDNHRTSA-N 1 1 266.360 2.481 20 10 CECDMO CC(C)C[N@H+](C)CCCNCc1ccccc1O ZINC000845997421 641147163 /nfs/dbraw/zinc/14/71/63/641147163.db2.gz ZUGSUSZKVBQBEZ-UHFFFAOYSA-N 1 1 250.386 2.460 20 10 CECDMO CC(C)C[N@@H+](C)CCCNCc1ccccc1O ZINC000845997421 641147166 /nfs/dbraw/zinc/14/71/66/641147166.db2.gz ZUGSUSZKVBQBEZ-UHFFFAOYSA-N 1 1 250.386 2.460 20 10 CECDMO FC1(F)[C@H]2C[N@@H+](Cc3ccc(N4CCOCC4)cc3)C[C@H]21 ZINC000846109650 641183826 /nfs/dbraw/zinc/18/38/26/641183826.db2.gz GIBRSFJCNYWHAZ-GASCZTMLSA-N 1 1 294.345 2.220 20 10 CECDMO CCN1C[C@H](C[NH2+][C@H](C)c2ccc(F)cc2O)CC1=O ZINC000846210276 641224034 /nfs/dbraw/zinc/22/40/34/641224034.db2.gz WWTBNRJMXCQUTA-MNOVXSKESA-N 1 1 280.343 2.050 20 10 CECDMO CCOc1cccc(C[N@@H+]2CCC[C@H](C)[C@H]2CN)c1O ZINC000250516600 641546811 /nfs/dbraw/zinc/54/68/11/641546811.db2.gz OROJWMQXNUNPKK-GXTWGEPZSA-N 1 1 278.396 2.350 20 10 CECDMO CCOc1cccc(C[N@H+]2CCC[C@H](C)[C@H]2CN)c1O ZINC000250516600 641546818 /nfs/dbraw/zinc/54/68/18/641546818.db2.gz OROJWMQXNUNPKK-GXTWGEPZSA-N 1 1 278.396 2.350 20 10 CECDMO CCOc1cccc(C[N@@H+]2CCC[C@H](C)[C@@H]2CN)c1O ZINC000070175515 641642057 /nfs/dbraw/zinc/64/20/57/641642057.db2.gz OROJWMQXNUNPKK-JSGCOSHPSA-N 1 1 278.396 2.350 20 10 CECDMO [NH3+]C[C@H](NCc1c(O)ccc(Cl)c1F)C(F)(F)F ZINC000848714346 642109461 /nfs/dbraw/zinc/10/94/61/642109461.db2.gz 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HQNSRACDWAQVHX-AWEZNQCLSA-N 1 1 274.408 2.443 20 10 CECDMO C[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)C1(CO)CC1 ZINC000850361448 642682375 /nfs/dbraw/zinc/68/23/75/642682375.db2.gz RZCXRAVZHIEACP-QMMMGPOBSA-N 1 1 273.735 2.435 20 10 CECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2COC(C)(C)C2)c1 ZINC000850482839 642727761 /nfs/dbraw/zinc/72/77/61/642727761.db2.gz SEZHKUMXFQPGDU-CMPLNLGQSA-N 1 1 293.363 2.397 20 10 CECDMO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2C[C@H](C)n3ncnc32)c1 ZINC000850499506 642732522 /nfs/dbraw/zinc/73/25/22/642732522.db2.gz QUJLVULKRBDLPA-OUJBWJOFSA-N 1 1 288.351 2.349 20 10 CECDMO Cc1ccc([C@@H](C)[NH2+]Cc2nc(C(N)=O)cs2)c(O)c1 ZINC000850539087 642745112 /nfs/dbraw/zinc/74/51/12/642745112.db2.gz AEMSCNXVNDPXCY-SECBINFHSA-N 1 1 291.376 2.107 20 10 CECDMO Cc1ccc(O)c([C@H](C)[NH2+]Cc2nc(C(N)=O)cs2)c1 ZINC000850540713 642746061 /nfs/dbraw/zinc/74/60/61/642746061.db2.gz NPKAYZTXPFNSIK-VIFPVBQESA-N 1 1 291.376 2.107 20 10 CECDMO Cc1ccc(C[N@H+]2CC[S@](=O)C(C)(C)CC2)c(O)c1 ZINC000877569962 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C[N@H+](Cc1c(O)ccc2ccccc21)C[C@@H]1COCCO1 ZINC000853558896 643813363 /nfs/dbraw/zinc/81/33/63/643813363.db2.gz LAKOIBJDOYHTII-CQSZACIVSA-N 1 1 287.359 2.393 20 10 CECDMO C[C@@]12COC[C@@H]1C[N@@H+](Cc1cc3c(cc1O)CCC3)C2 ZINC000853565627 643814437 /nfs/dbraw/zinc/81/44/37/643814437.db2.gz HXTYWEUBEHUYRZ-DOTOQJQBSA-N 1 1 273.376 2.349 20 10 CECDMO Cc1ccc(CN2CC[C@H]3[C@H](CC[N@H+]3C)C2)c(O)c1 ZINC000877736934 650878286 /nfs/dbraw/zinc/87/82/86/650878286.db2.gz CAGOOHVXLXSCCA-HIFRSBDPSA-N 1 1 260.381 2.227 20 10 CECDMO Cc1ccc(CN2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c(O)c1 ZINC000877736934 650878291 /nfs/dbraw/zinc/87/82/91/650878291.db2.gz CAGOOHVXLXSCCA-HIFRSBDPSA-N 1 1 260.381 2.227 20 10 CECDMO COc1ccc(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(O)c1 ZINC000112017206 644015555 /nfs/dbraw/zinc/01/55/55/644015555.db2.gz KPODXWJHSJXVKY-ZIAGYGMSSA-N 1 1 276.380 2.117 20 10 CECDMO COc1ccc(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(O)c1 ZINC000112017206 644015561 /nfs/dbraw/zinc/01/55/61/644015561.db2.gz 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/nfs/dbraw/zinc/42/13/76/644421376.db2.gz NQSHQOHHTMYIHF-OAHLLOKOSA-N 1 1 290.407 2.378 20 10 CECDMO COc1cc(C)cc(CN(C)[C@@H]2CC[N@H+](C3CC3)C2)c1O ZINC000754726296 644421379 /nfs/dbraw/zinc/42/13/79/644421379.db2.gz NQSHQOHHTMYIHF-OAHLLOKOSA-N 1 1 290.407 2.378 20 10 CECDMO CC[S@](=O)CC[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756574672 644670799 /nfs/dbraw/zinc/67/07/99/644670799.db2.gz FULMHCBZOVAGFN-ASCAZGACSA-N 1 1 277.336 2.090 20 10 CECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@](C)(O)C(C)C)c1 ZINC000756578030 644671799 /nfs/dbraw/zinc/67/17/99/644671799.db2.gz VLHVNGMOKWALDJ-BZNIZROVSA-N 1 1 295.379 2.236 20 10 CECDMO C[C@H]([NH2+]CC[C@H](C)[S@@](C)=O)c1cc(F)cc(F)c1O ZINC000756757901 644689149 /nfs/dbraw/zinc/68/91/49/644689149.db2.gz DLQDGBZQEYFZLZ-OCCIGCLGSA-N 1 1 291.363 2.478 20 10 CECDMO C[C@H]([NH2+][C@H](CO)CC1CC1)c1ccc(F)cc1O ZINC000756769377 644690105 /nfs/dbraw/zinc/69/01/05/644690105.db2.gz LAZFFTRQHJMEDM-CABZTGNLSA-N 1 1 253.317 2.343 20 10 CECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCCF)c1 ZINC000756765976 644690136 /nfs/dbraw/zinc/69/01/36/644690136.db2.gz UPDAZSNDMKIYQP-SECBINFHSA-N 1 1 255.289 2.189 20 10 CECDMO CCc1cccc(C[N@H+]2CC[C@H](C)[C@H](CO)C2)c1O ZINC000857061067 644805418 /nfs/dbraw/zinc/80/54/18/644805418.db2.gz JESXYKHCMCMLIH-WFASDCNBSA-N 1 1 263.381 2.405 20 10 CECDMO CN(C)c1cc(F)c(C[NH2+]C[C@H](C2CC2)N(C)C)cc1F ZINC000858101072 645061610 /nfs/dbraw/zinc/06/16/10/645061610.db2.gz YDBXLVXQPLAKGW-MRXNPFEDSA-N 1 1 297.393 2.461 20 10 CECDMO CN(C)c1cc(F)c(CNC[C@@H]2CCC[N@@H+](C)C2)cc1F ZINC000858132194 645070543 /nfs/dbraw/zinc/07/05/43/645070543.db2.gz VZURBURXGJJFMY-LBPRGKRZSA-N 1 1 297.393 2.462 20 10 CECDMO Cc1cc(C)c(O)c(C[N@H+]2CCN3C(=O)OCC[C@H]3C2)c1 ZINC000763312392 645532153 /nfs/dbraw/zinc/53/21/53/645532153.db2.gz ANLRUPYASUBCRK-AWEZNQCLSA-N 1 1 290.363 2.036 20 10 CECDMO CO[C@]1(C[NH2+][C@@H](C)c2cc(F)cc(F)c2O)CCOC1 ZINC000763574320 645558371 /nfs/dbraw/zinc/55/83/71/645558371.db2.gz 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/nfs/dbraw/zinc/09/52/95/646095295.db2.gz JSTWXZZMJHSDOR-UHFFFAOYSA-N 1 1 288.347 2.042 20 10 CECDMO CCCC[N@@H+](CCOC)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768450550 646125083 /nfs/dbraw/zinc/12/50/83/646125083.db2.gz KGKMNPVRMWXIGG-OAHLLOKOSA-N 1 1 295.379 2.067 20 10 CECDMO CC[C@@]1(C)CC[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768464180 646126614 /nfs/dbraw/zinc/12/66/14/646126614.db2.gz OARHNSSODOJADR-ZBFHGGJFSA-N 1 1 277.364 2.440 20 10 CECDMO CC[C@H]1C[N@@H+](Cc2c(O)cccc2OC)C[C@H](C)O1 ZINC000769104681 646205691 /nfs/dbraw/zinc/20/56/91/646205691.db2.gz JFXRILSZGVRNPA-RYUDHWBXSA-N 1 1 265.353 2.400 20 10 CECDMO CCOc1ccc(O)c(C[N@H+](C)C(C)(C)C(=O)OC)c1 ZINC000769306279 646240744 /nfs/dbraw/zinc/24/07/44/646240744.db2.gz PWKJOYOFRBPIHH-UHFFFAOYSA-N 1 1 281.352 2.174 20 10 CECDMO CCOc1ccc(O)c(C[N@@H+](C)C(C)(C)C(=O)OC)c1 ZINC000769306279 646240746 /nfs/dbraw/zinc/24/07/46/646240746.db2.gz PWKJOYOFRBPIHH-UHFFFAOYSA-N 1 1 281.352 2.174 20 10 CECDMO C[C@H]1CC[N@@H+](Cc2cc(F)c(N(C)C)cc2F)[C@@H]1CO ZINC000862336873 646402835 /nfs/dbraw/zinc/40/28/35/646402835.db2.gz MXJLPVKBOOVBDL-ZUZCIYMTSA-N 1 1 284.350 2.234 20 10 CECDMO CC[C@]1(O)CC[N@@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862334089 646403097 /nfs/dbraw/zinc/40/30/97/646403097.db2.gz YLSYKXCRGBZUNH-HNNXBMFYSA-N 1 1 284.350 2.378 20 10 CECDMO COC[C@H]1CC[N@H+]1Cc1c(O)cccc1Br ZINC000862376111 646424422 /nfs/dbraw/zinc/42/44/22/646424422.db2.gz GPEVFZSDAIMRLV-SECBINFHSA-N 1 1 286.169 2.375 20 10 CECDMO Cc1cc(Cl)cc(C[N@H+](C)[C@H]2CCC(=O)N(C)C2)c1O ZINC000862428628 646455711 /nfs/dbraw/zinc/45/57/11/646455711.db2.gz SQRVBBFTCKPZGY-ZDUSSCGKSA-N 1 1 296.798 2.407 20 10 CECDMO CCC(O)(CC)C[N@@H+](C)Cc1c(O)cccc1OC ZINC000862538571 646488676 /nfs/dbraw/zinc/48/86/76/646488676.db2.gz ASIMIHRUCTVLKB-UHFFFAOYSA-N 1 1 267.369 2.384 20 10 CECDMO CC(=O)c1cc(F)cc(CN2CC[N@@H+](C)[C@H](C)[C@H]2C)c1O ZINC000771467639 646521722 /nfs/dbraw/zinc/52/17/22/646521722.db2.gz UPKGXCBAHSKFIT-GHMZBOCLSA-N 1 1 294.370 2.258 20 10 CECDMO CC(=O)c1cc(F)cc(CN2CC[N@H+](C)[C@H](C)[C@H]2C)c1O ZINC000771467639 646521727 /nfs/dbraw/zinc/52/17/27/646521727.db2.gz UPKGXCBAHSKFIT-GHMZBOCLSA-N 1 1 294.370 2.258 20 10 CECDMO Cn1ccc(C[NH2+]Cc2ccc(N3CCN(C)CC3)cc2)c1 ZINC000771844837 646558601 /nfs/dbraw/zinc/55/86/01/646558601.db2.gz WVCLKLOIJQQUJG-UHFFFAOYSA-N 1 1 298.434 2.067 20 10 CECDMO CC[C@H]([NH2+]CC1(N)CCOCC1)c1ccc(C)cc1O ZINC000863540166 646750905 /nfs/dbraw/zinc/75/09/05/646750905.db2.gz BORPHSFRTYQGTE-AWEZNQCLSA-N 1 1 278.396 2.249 20 10 CECDMO CC(C)[N@H+](Cc1ccc(N(C)C)c(F)c1)C[C@@H](C)O ZINC000120013123 646981503 /nfs/dbraw/zinc/98/15/03/646981503.db2.gz AXLRIEIKJNRWSU-GFCCVEGCSA-N 1 1 268.376 2.483 20 10 CECDMO Oc1c(F)cc(Cl)cc1CN1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000775703003 646982490 /nfs/dbraw/zinc/98/24/90/646982490.db2.gz HPXHFMUVMBRVOJ-TVQRCGJNSA-N 1 1 284.762 2.369 20 10 CECDMO COc1cc(C)cc(C[N@H+]2CCO[C@@H](C3CC3)C2)c1O ZINC000776770781 647088300 /nfs/dbraw/zinc/08/83/00/647088300.db2.gz 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Cc1c(O)ccc(C[N@H+]2CC[C@H](N3CCCC3)C2)c1O ZINC001140745994 816340444 /nfs/dbraw/zinc/34/04/44/816340444.db2.gz RTPZPPFTHMEWAR-AWEZNQCLSA-N 1 1 276.380 2.076 20 10 CECDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@H](C)[C@H](O)C2)c(O)c1 ZINC001140850818 816382828 /nfs/dbraw/zinc/38/28/28/816382828.db2.gz VNPIRZRPYDVZSE-CXAGYDPISA-N 1 1 292.423 2.441 20 10 CECDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@H](O)[C@H](C)C2)c(O)c1 ZINC001140850981 816382952 /nfs/dbraw/zinc/38/29/52/816382952.db2.gz XMSVDNFYMWVELY-CZUORRHYSA-N 1 1 292.423 2.441 20 10 CECDMO CCN(CC)c1ccc(C[N@H+]2C[C@@H]3CCO[C@@H]3C2)c(O)c1 ZINC001140856046 816383113 /nfs/dbraw/zinc/38/31/13/816383113.db2.gz PVKKZEXCUSPWOP-WMLDXEAASA-N 1 1 290.407 2.459 20 10 CECDMO CCN(CC)c1ccc(C[N@@H+](C)CCC(=O)OC)c(O)c1 ZINC001140856781 816383807 /nfs/dbraw/zinc/38/38/07/816383807.db2.gz HWNNGCRELMENFO-UHFFFAOYSA-N 1 1 294.395 2.233 20 10 CECDMO COC(=O)C[C@@H]1CCC[N@@H+](Cc2ccc(C)cc2O)C1 ZINC001140957537 816425826 /nfs/dbraw/zinc/42/58/26/816425826.db2.gz CYGPMPGBTWUTRP-ZDUSSCGKSA-N 1 1 277.364 2.476 20 10 CECDMO COc1cc(O)c(C[N@H+]2C[C@H]3[C@H](CF)[C@H]3C2)c(OC)c1 ZINC001141029582 816450342 /nfs/dbraw/zinc/45/03/42/816450342.db2.gz WQGKODYMWWDVAB-CNDDSTCGSA-N 1 1 281.327 2.057 20 10 CECDMO C[C@@H]1C[N@@H+](Cc2ccc3c(c2)OCCN3C)CCC[C@@H]1O ZINC001141139771 816483776 /nfs/dbraw/zinc/48/37/76/816483776.db2.gz BGCFNZOZTNVBRN-CJNGLKHVSA-N 1 1 290.407 2.108 20 10 CECDMO C[C@H]1CCC[N@@H+](Cc2ccc3c(c2)OCCN3C)[C@@H]1CO ZINC001141141082 816485327 /nfs/dbraw/zinc/48/53/27/816485327.db2.gz TWYMRPVOEDYWGZ-XJKSGUPXSA-N 1 1 290.407 2.108 20 10 CECDMO CN1CCOc2cc(C[N@H+]3CCC[C@@H]4C[C@@H]43)ccc21 ZINC001141144557 816485606 /nfs/dbraw/zinc/48/56/06/816485606.db2.gz GSJXSECVLCWCAV-HIFRSBDPSA-N 1 1 258.365 2.500 20 10 CECDMO O=C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cc(O)ccc1O ZINC001141159169 816490025 /nfs/dbraw/zinc/49/00/25/816490025.db2.gz AYXYGOXORBLIEW-TXEJJXNPSA-N 1 1 261.321 2.184 20 10 CECDMO O=C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cc(O)ccc1O ZINC001141159169 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c1cn2c(n1)[C@H]([NH2+]Cc1ccc3c(c1)CCO3)CC2 ZINC001178774661 816797458 /nfs/dbraw/zinc/79/74/58/816797458.db2.gz KPZQSGRQFUDMSL-CYBMUJFWSA-N 1 1 255.321 2.053 20 10 CECDMO CC(C)C[N@@H+](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000065960956 343704857 /nfs/dbraw/zinc/70/48/57/343704857.db2.gz LUVPTVABGWTNCO-UHFFFAOYSA-N 1 1 291.439 2.299 20 10 CECDMO CN(C)c1ccc(C[N@@H+](C)C[C@H]2CCC[C@@H]2O)cc1 ZINC000091898572 344173807 /nfs/dbraw/zinc/17/38/07/344173807.db2.gz GOKUTTBQEJZCTI-ZBFHGGJFSA-N 1 1 262.397 2.345 20 10 CECDMO C[C@H](O)[C@H]1CCCC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000092971143 344209015 /nfs/dbraw/zinc/20/90/15/344209015.db2.gz QXEVBMPBHNAJEH-XJKSGUPXSA-N 1 1 262.397 2.488 20 10 CECDMO CCC[N@H+](CC(=O)OC)Cc1cc(OCC)ccc1O ZINC000178871067 344504485 /nfs/dbraw/zinc/50/44/85/344504485.db2.gz WWYYLVVCKUZLIY-UHFFFAOYSA-N 1 1 281.352 2.176 20 10 CECDMO CCC[N@@H+](CC(=O)OC)Cc1cc(OCC)ccc1O ZINC000178871067 344504488 /nfs/dbraw/zinc/50/44/88/344504488.db2.gz WWYYLVVCKUZLIY-UHFFFAOYSA-N 1 1 281.352 2.176 20 10 CECDMO Cc1ccc(O)c(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000083551954 363780007 /nfs/dbraw/zinc/78/00/07/363780007.db2.gz FFWANYUIQZTHRI-LSDHHAIUSA-N 1 1 260.381 2.417 20 10 CECDMO Cc1ccc(O)c(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000083551954 363780012 /nfs/dbraw/zinc/78/00/12/363780012.db2.gz FFWANYUIQZTHRI-LSDHHAIUSA-N 1 1 260.381 2.417 20 10 CECDMO CCOc1cccc(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c1O ZINC000156077821 366827050 /nfs/dbraw/zinc/82/70/50/366827050.db2.gz HMAXXAGWXZGUCV-ZFWWWQNUSA-N 1 1 290.407 2.459 20 10 CECDMO CCOc1ccc(O)c(C[N@H+]2C[C@@H](C)OC[C@@H]2C)c1 ZINC000092018209 364075699 /nfs/dbraw/zinc/07/56/99/364075699.db2.gz FYCAOYSGLMRZAK-NWDGAFQWSA-N 1 1 265.353 2.400 20 10 CECDMO C[C@H](N1CC[NH+](Cc2ccccc2O)CC1)C(F)(F)F ZINC000179585001 368342786 /nfs/dbraw/zinc/34/27/86/368342786.db2.gz DLUHCVIMZTTYMI-NSHDSACASA-N 1 1 288.313 2.461 20 10 CECDMO COC(=O)[C@@H]1CCCC[N@H+]1Cc1cc(C)ccc1O ZINC000179806919 368351844 /nfs/dbraw/zinc/35/18/44/368351844.db2.gz DSVBDZOEMFUESH-ZDUSSCGKSA-N 1 1 263.337 2.228 20 10 CECDMO CCC[N@H+](CC(=O)OCC)Cc1cc(OC)ccc1O ZINC000179826027 368353357 /nfs/dbraw/zinc/35/33/57/368353357.db2.gz HMQOSYQNFOHDDU-UHFFFAOYSA-N 1 1 281.352 2.176 20 10 CECDMO CCC[N@@H+](CC(=O)OCC)Cc1cc(OC)ccc1O ZINC000179826027 368353364 /nfs/dbraw/zinc/35/33/64/368353364.db2.gz HMQOSYQNFOHDDU-UHFFFAOYSA-N 1 1 281.352 2.176 20 10 CECDMO CC[C@]1(CO)CCC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000190216823 369605692 /nfs/dbraw/zinc/60/56/92/369605692.db2.gz LBJYJOMRLBCRIX-INIZCTEOSA-N 1 1 293.363 2.105 20 10 CECDMO COC(=O)[C@@H](C)[N@H+](Cc1cc(OC)ccc1O)C1CCC1 ZINC000191649000 369729305 /nfs/dbraw/zinc/72/93/05/369729305.db2.gz HOLOPCXFZQUVOW-LLVKDONJSA-N 1 1 293.363 2.317 20 10 CECDMO COC(=O)[C@@H](C)[N@@H+](Cc1cc(OC)ccc1O)C1CCC1 ZINC000191649000 369729314 /nfs/dbraw/zinc/72/93/14/369729314.db2.gz HOLOPCXFZQUVOW-LLVKDONJSA-N 1 1 293.363 2.317 20 10 CECDMO CC1(O)C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(F)ccc1O ZINC000359998166 371498175 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COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCOCC2)c1 ZINC000273519301 373762749 /nfs/dbraw/zinc/76/27/49/373762749.db2.gz TYYSIDLWWUFKIZ-DGCLKSJQSA-N 1 1 293.363 2.399 20 10 CECDMO C[C@H]([NH2+][C@H]1CCc2cn[nH]c2C1)c1ccccc1O ZINC000371684849 373948664 /nfs/dbraw/zinc/94/86/64/373948664.db2.gz HWDKZKIOBPISDL-JQWIXIFHSA-N 1 1 257.337 2.323 20 10 CECDMO COc1ccc(O)c([C@H](C)[N@H+]2CC[C@@H](n3cncn3)C2)c1 ZINC000372590890 374163580 /nfs/dbraw/zinc/16/35/80/374163580.db2.gz GTCOYTZCWNGZMW-NWDGAFQWSA-N 1 1 288.351 2.000 20 10 CECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H](C)[C@H](C)OC)c1 ZINC000276138365 374226518 /nfs/dbraw/zinc/22/65/18/374226518.db2.gz NADAONSQBZDQHE-DCAQKATOSA-N 1 1 281.352 2.253 20 10 CECDMO CCCC[N@@H+](CC(=O)NC1CC1)Cc1ccccc1O ZINC000282497292 375498397 /nfs/dbraw/zinc/49/83/97/375498397.db2.gz QNPHYLGJAYGMQN-UHFFFAOYSA-N 1 1 276.380 2.273 20 10 CECDMO CC[C@H]([NH2+][C@H]1CCCCNC1=O)c1ccc(F)cc1O ZINC000285489991 375839931 /nfs/dbraw/zinc/83/99/31/375839931.db2.gz CBGIPHRMMODYDU-STQMWFEESA-N 1 1 280.343 2.241 20 10 CECDMO CC[C@@H]([NH2+][C@H](C)c1nncn1C)c1ccc(F)cc1O ZINC000286375890 375932838 /nfs/dbraw/zinc/93/28/38/375932838.db2.gz ZUMJPFQEUZUFHG-BXKDBHETSA-N 1 1 278.331 2.462 20 10 CECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@H](OC)C2CC2)c1 ZINC000293647294 377676778 /nfs/dbraw/zinc/67/67/78/377676778.db2.gz HOKXJVVQKBVGHV-BMIGLBTASA-N 1 1 293.363 2.254 20 10 CECDMO C[C@@H]1CN(Cc2cc(F)ccc2O)CC[N@H+](C2CC2)C1 ZINC000294657115 378002928 /nfs/dbraw/zinc/00/29/28/378002928.db2.gz ADOMATJLXLHOHZ-GFCCVEGCSA-N 1 1 278.371 2.447 20 10 CECDMO C[C@H]1CN(C2CC2)CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000294657115 378002930 /nfs/dbraw/zinc/00/29/30/378002930.db2.gz ADOMATJLXLHOHZ-GFCCVEGCSA-N 1 1 278.371 2.447 20 10 CECDMO C[C@H]1CN(C2CC2)CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000294657115 378002937 /nfs/dbraw/zinc/00/29/37/378002937.db2.gz ADOMATJLXLHOHZ-GFCCVEGCSA-N 1 1 278.371 2.447 20 10 CECDMO CC[C@@H](CO)[N@@H+](C)Cc1cc(Br)ccc1O ZINC000295210029 378052934 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CN(C)c1ccc(C[N@H+]2CC[C@H](N)[C@@H](F)CC2)cc1 ZINC001206157429 815312889 /nfs/dbraw/zinc/31/28/89/815312889.db2.gz YPFCEPUCAVHXBT-GJZGRUSLSA-N 1 1 265.376 2.014 20 10 CECDMO CN(C)c1ccc(CN2CC[C@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001206157429 815312894 /nfs/dbraw/zinc/31/28/94/815312894.db2.gz YPFCEPUCAVHXBT-GJZGRUSLSA-N 1 1 265.376 2.014 20 10 CECDMO CCOC[C@@H]1C[N@@H+](Cc2cccc(CC)c2O)CCO1 ZINC000706615212 809841933 /nfs/dbraw/zinc/84/19/33/809841933.db2.gz PACYIOFZSWYGGH-HNNXBMFYSA-N 1 1 279.380 2.192 20 10 CECDMO CCC[C@@H](CCO)[NH2+]Cc1cc(F)cc(F)c1O ZINC000708394196 809928294 /nfs/dbraw/zinc/92/82/94/809928294.db2.gz RQFVGLNKTQHTPU-NSHDSACASA-N 1 1 259.296 2.311 20 10 CECDMO C[C@H](O)C[C@H](C)C[NH2+]Cc1cc(F)cc(F)c1O ZINC000708481392 809929757 /nfs/dbraw/zinc/92/97/57/809929757.db2.gz RTSMLRBBGODRIH-IUCAKERBSA-N 1 1 259.296 2.167 20 10 CECDMO C[C@H]1C[C@H]([NH2+]Cc2cc(F)cc(F)c2O)CCO1 ZINC000708436156 809931217 /nfs/dbraw/zinc/93/12/17/809931217.db2.gz KFPLKVPLIOQETL-GZMMTYOYSA-N 1 1 257.280 2.328 20 10 CECDMO C[C@H]1C[C@@H]([NH2+]Cc2cc(F)cc(F)c2O)CCO1 ZINC000708436158 809931421 /nfs/dbraw/zinc/93/14/21/809931421.db2.gz KFPLKVPLIOQETL-KWQFWETISA-N 1 1 257.280 2.328 20 10 CECDMO COCC1([NH2+]Cc2cc(F)cc(F)c2O)CCC1 ZINC000708498003 809943792 /nfs/dbraw/zinc/94/37/92/809943792.db2.gz WCSVMMJNEILDQE-UHFFFAOYSA-N 1 1 257.280 2.329 20 10 CECDMO Oc1c(F)cc(F)cc1C[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000708516738 809944035 /nfs/dbraw/zinc/94/40/35/809944035.db2.gz KXDXYFNGQSPQJT-WCQYABFASA-N 1 1 269.291 2.328 20 10 CECDMO C[C@@](O)(C[NH2+]Cc1cc(F)cc(F)c1O)C(F)(F)F ZINC000708535579 809945535 /nfs/dbraw/zinc/94/55/35/809945535.db2.gz MVXUGGFRUAWMFM-SNVBAGLBSA-N 1 1 285.212 2.073 20 10 CECDMO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)c1[O-] ZINC000923503698 810105873 /nfs/dbraw/zinc/10/58/73/810105873.db2.gz LDNFUURRVMDTAZ-CMPLNLGQSA-N 1 1 294.370 2.151 20 10 CECDMO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)c1[O-] ZINC000923503698 810105875 /nfs/dbraw/zinc/10/58/75/810105875.db2.gz LDNFUURRVMDTAZ-CMPLNLGQSA-N 1 1 294.370 2.151 20 10 CECDMO OC[C@@H]([NH2+]Cc1cccc(Br)c1O)C1CC1 ZINC000381624557 810594533 /nfs/dbraw/zinc/59/45/33/810594533.db2.gz HZYKWAMUSWONPK-LLVKDONJSA-N 1 1 286.169 2.015 20 10 CECDMO Cc1cccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3C)c1O ZINC001169111355 811404496 /nfs/dbraw/zinc/40/44/96/811404496.db2.gz OVWCMGBWMAGQGO-QKDCVEJESA-N 1 1 260.381 2.415 20 10 CECDMO Oc1cccc2c1C[N@H+]([C@H]1CCCC3(C1)OCCO3)CC2 ZINC001169957237 811727139 /nfs/dbraw/zinc/72/71/39/811727139.db2.gz DMUNOLWXSSJAAH-AWEZNQCLSA-N 1 1 289.375 2.436 20 10 CECDMO CCc1cccc(C[NH2+][C@H](C)CCN(C)C)c1O ZINC000691484844 811951618 /nfs/dbraw/zinc/95/16/18/811951618.db2.gz WSPBMHUERGCMJG-GFCCVEGCSA-N 1 1 250.386 2.384 20 10 CECDMO Cn1c(Cl)cnc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000393321455 813311740 /nfs/dbraw/zinc/31/17/40/813311740.db2.gz IVGAKJJAXPZJSS-UHFFFAOYSA-N 1 1 277.755 2.298 20 10 CECDMO Oc1cc2c(cc1O)C[N@H+]([C@@H]1CCCOCC1)CCC2 ZINC001170833500 813486700 /nfs/dbraw/zinc/48/67/00/813486700.db2.gz IPBRKZURSNJIPX-CQSZACIVSA-N 1 1 277.364 2.415 20 10 CECDMO COCCCC[N@@H+](C)Cc1cccc(OC)c1O ZINC000397090713 813598327 /nfs/dbraw/zinc/59/83/27/813598327.db2.gz ABWINXNSDUONID-UHFFFAOYSA-N 1 1 253.342 2.259 20 10 CECDMO CC[C@@H]1CN(CC)CC[N@H+]1Cc1cccc(OC)c1O ZINC000825004927 813807459 /nfs/dbraw/zinc/80/74/59/813807459.db2.gz AGWUGLSLCMXCMC-CQSZACIVSA-N 1 1 278.396 2.317 20 10 CECDMO CC[C@@H]1C[N@H+](CC)CCN1Cc1cccc(OC)c1O ZINC000825004927 813807467 /nfs/dbraw/zinc/80/74/67/813807467.db2.gz AGWUGLSLCMXCMC-CQSZACIVSA-N 1 1 278.396 2.317 20 10 CECDMO CC[C@@H]1C[N@@H+](CC)CCN1Cc1cccc(OC)c1O ZINC000825004927 813807477 /nfs/dbraw/zinc/80/74/77/813807477.db2.gz AGWUGLSLCMXCMC-CQSZACIVSA-N 1 1 278.396 2.317 20 10 CECDMO COc1ccc(C[N@H+]2CCc3cccc(O)c3C2)nc1 ZINC001144433710 814066940 /nfs/dbraw/zinc/06/69/40/814066940.db2.gz OYNKDFAYCVHZKL-UHFFFAOYSA-N 1 1 270.332 2.354 20 10 CECDMO C[N@@H+](Cc1cnc2ccccn12)Cc1c(O)cc(O)cc1O ZINC001144504352 814092780 /nfs/dbraw/zinc/09/27/80/814092780.db2.gz QJJZYGAGRYVTKU-UHFFFAOYSA-N 1 1 299.330 2.083 20 10 CECDMO COCC[C@@H]1CCCC[N@H+]1Cc1c(O)cc(O)cc1O ZINC001144508985 814096900 /nfs/dbraw/zinc/09/69/00/814096900.db2.gz GKCLLFLIWRKUOG-NSHDSACASA-N 1 1 281.352 2.194 20 10 CECDMO Oc1cc(O)c(C[N@H+]2CCc3cccc(O)c3C2)c(O)c1 ZINC001144514995 814097904 /nfs/dbraw/zinc/09/79/04/814097904.db2.gz ALFSCIVCWYNDPP-UHFFFAOYSA-N 1 1 287.315 2.067 20 10 CECDMO Cc1ccc(C[N@H+](C)Cc2c(O)cc(O)cc2O)cn1 ZINC001144515625 814100563 /nfs/dbraw/zinc/10/05/63/814100563.db2.gz CSQSBSZZUCGXFT-UHFFFAOYSA-N 1 1 274.320 2.139 20 10 CECDMO Cc1cc(C[N@H+]2C[C@H](F)C[C@H](CO)C2)ccc1N(C)C ZINC001139669566 815619082 /nfs/dbraw/zinc/61/90/82/815619082.db2.gz AZJFOSJCMVXXBS-LSDHHAIUSA-N 1 1 280.387 2.213 20 10 CECDMO COc1ccc(O)c(CN2CC[N@@H+](C)C(C)(C)CC2)c1 ZINC000712661934 814758691 /nfs/dbraw/zinc/75/86/91/814758691.db2.gz CAMRLMMUHLCKOB-UHFFFAOYSA-N 1 1 278.396 2.317 20 10 CECDMO COc1ccc(O)c(C[N@@H+]2CCN(C)C(C)(C)CC2)c1 ZINC000712661934 814758698 /nfs/dbraw/zinc/75/86/98/814758698.db2.gz CAMRLMMUHLCKOB-UHFFFAOYSA-N 1 1 278.396 2.317 20 10 CECDMO COc1ccc(O)c(C[N@H+]2CCN(C)C(C)(C)CC2)c1 ZINC000712661934 814758707 /nfs/dbraw/zinc/75/87/07/814758707.db2.gz CAMRLMMUHLCKOB-UHFFFAOYSA-N 1 1 278.396 2.317 20 10 CECDMO CCN1CC[C@H]1C[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000712540481 814764960 /nfs/dbraw/zinc/76/49/60/814764960.db2.gz BOZUYZOJLNXXSK-JQWIXIFHSA-N 1 1 252.333 2.276 20 10 CECDMO OC[C@]1(F)CCC[N@H+](Cc2c(O)cccc2F)CC1 ZINC001137832807 815692093 /nfs/dbraw/zinc/69/20/93/815692093.db2.gz IOOZSMLDMKFODI-AWEZNQCLSA-N 1 1 271.307 2.218 20 10 CECDMO OC[C@]1(F)CCC[N@@H+](Cc2c(O)cccc2F)CC1 ZINC001137832807 815692096 /nfs/dbraw/zinc/69/20/96/815692096.db2.gz IOOZSMLDMKFODI-AWEZNQCLSA-N 1 1 271.307 2.218 20 10 CECDMO Oc1cccc(F)c1C[NH+]1CC2(C1)CCCOC2 ZINC001137833077 815692176 /nfs/dbraw/zinc/69/21/76/815692176.db2.gz RTAURSHSUWPTNW-UHFFFAOYSA-N 1 1 251.301 2.144 20 10 CECDMO COC(=O)Cc1ccc(C[N@H+]2CCCC[C@@H]2C)c(O)c1 ZINC001249173002 815712534 /nfs/dbraw/zinc/71/25/34/815712534.db2.gz PKBYEPRXWDKYIO-LBPRGKRZSA-N 1 1 277.364 2.482 20 10 CECDMO C[C@H]1CC[N@@H+](Cc2cccc(F)c2[O-])CC[C@@H]1O ZINC001138122683 815730632 /nfs/dbraw/zinc/73/06/32/815730632.db2.gz UVHBKJOAHZGTKT-GWCFXTLKSA-N 1 1 253.317 2.124 20 10 CECDMO C[C@H]1CC[N@H+](Cc2cccc(F)c2O)CC[C@@H]1O ZINC001138122683 815730640 /nfs/dbraw/zinc/73/06/40/815730640.db2.gz UVHBKJOAHZGTKT-GWCFXTLKSA-N 1 1 253.317 2.124 20 10 CECDMO C[C@H]1CC[N@@H+](Cc2cccc(F)c2O)CC[C@@H]1O ZINC001138122683 815730647 /nfs/dbraw/zinc/73/06/47/815730647.db2.gz UVHBKJOAHZGTKT-GWCFXTLKSA-N 1 1 253.317 2.124 20 10 CECDMO C[N@@H+](C1CC1)[C@H]1CCN(Cc2cccc(F)c2O)C1 ZINC001138129529 815733356 /nfs/dbraw/zinc/73/33/56/815733356.db2.gz JDEILJZYYURBRE-ZDUSSCGKSA-N 1 1 264.344 2.200 20 10 CECDMO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3c(C)n(C)c4ccccc34)C[C@@H]21 ZINC001138258058 815756186 /nfs/dbraw/zinc/75/61/86/815756186.db2.gz JRKAGVZCSWRJSQ-QLPKVWCKSA-N 1 1 298.386 2.338 20 10 CECDMO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccc2c(c1)CCCN2C ZINC001138354515 815773053 /nfs/dbraw/zinc/77/30/53/815773053.db2.gz MDCPJKQOWBDBGM-IUODEOHRSA-N 1 1 260.381 2.024 20 10 CECDMO CN1CCCc2cc(C[N@@H+]3CCN4CCC3CC4)ccc21 ZINC001138357000 815774168 /nfs/dbraw/zinc/77/41/68/815774168.db2.gz XSNZWIRMGLPQJJ-UHFFFAOYSA-N 1 1 285.435 2.349 20 10 CECDMO CN1CCCc2cc(C[N@H+]3CCN4CCC3CC4)ccc21 ZINC001138357000 815774173 /nfs/dbraw/zinc/77/41/73/815774173.db2.gz XSNZWIRMGLPQJJ-UHFFFAOYSA-N 1 1 285.435 2.349 20 10 CECDMO CN1CCCc2cc(CN3CC[N@H+]4CCC[C@H]4C3)ccc21 ZINC001138357783 815774575 /nfs/dbraw/zinc/77/45/75/815774575.db2.gz KENRIQCMGYDJSF-KRWDZBQOSA-N 1 1 285.435 2.349 20 10 CECDMO CN1CCCc2cc(C[N@H+]3CC[C@@H](O)[C@@H](F)CC3)ccc21 ZINC001138354979 815774689 /nfs/dbraw/zinc/77/46/89/815774689.db2.gz XLFJTAWNWAWRNN-DOTOQJQBSA-N 1 1 292.398 2.364 20 10 CECDMO CN1CCCc2cc(C[N@H+]3CC[C@@](C)(CO)C3)ccc21 ZINC001138355003 815775287 /nfs/dbraw/zinc/77/52/87/815775287.db2.gz YEYPZQCUZGQVKD-QGZVFWFLSA-N 1 1 274.408 2.273 20 10 CECDMO Oc1ccc(F)cc1C[N@H+]1CCC[C@]2(CCO2)C1 ZINC001140054964 816176976 /nfs/dbraw/zinc/17/69/76/816176976.db2.gz BMXQOGLSENEVRG-AWEZNQCLSA-N 1 1 251.301 2.286 20 10 CECDMO Cc1ccc(C)c(C[N@H+]2CCC[C@@]3(CCNC3=O)C2)c1O ZINC001140181183 816206338 /nfs/dbraw/zinc/20/63/38/816206338.db2.gz PFPGBGIDSHAROP-QGZVFWFLSA-N 1 1 288.391 2.111 20 10 CECDMO C[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2O)C[C@H]1O ZINC001140463271 816259443 /nfs/dbraw/zinc/25/94/43/816259443.db2.gz YKGGTFFCYJEWRG-NOZJJQNGSA-N 1 1 255.745 2.248 20 10 CECDMO C[C@H]1CC[C@@H](CO)[N@H+]1Cc1ccc(Cl)cc1O ZINC001140462260 816261001 /nfs/dbraw/zinc/26/10/01/816261001.db2.gz CKDJJCNZDWEDAG-CABZTGNLSA-N 1 1 255.745 2.391 20 10 CECDMO CCOC(=O)CC[N@@H+](C)Cc1cc(C)ccc1O ZINC001140622725 816305781 /nfs/dbraw/zinc/30/57/81/816305781.db2.gz DKMOYNNPNOUQPM-UHFFFAOYSA-N 1 1 251.326 2.086 20 10 CECDMO COC(=O)C[C@@H]1CCC[N@@H+](Cc2cc(C)ccc2O)C1 ZINC001140622718 816306737 /nfs/dbraw/zinc/30/67/37/816306737.db2.gz DDDSYZSKJDJSOE-ZDUSSCGKSA-N 1 1 277.364 2.476 20 10 CECDMO CCN1C[C@@H]2C[N@@H+](Cc3cc(C)ccc3O)C[C@@H]2C1 ZINC001140624338 816307781 /nfs/dbraw/zinc/30/77/81/816307781.db2.gz RJLPUZRKRLMOKZ-GASCZTMLSA-N 1 1 260.381 2.084 20 10 CECDMO CCN1C[C@@H]2C[N@H+](Cc3cc(C)ccc3O)C[C@@H]2C1 ZINC001140624338 816307789 /nfs/dbraw/zinc/30/77/89/816307789.db2.gz RJLPUZRKRLMOKZ-GASCZTMLSA-N 1 1 260.381 2.084 20 10 CECDMO Cc1c(O)ccc(C[N@H+]2CCCC[C@](O)(CF)C2)c1O ZINC001140741690 816338456 /nfs/dbraw/zinc/33/84/56/816338456.db2.gz AQQCVZQDOVIYEP-HNNXBMFYSA-N 1 1 283.343 2.093 20 10 CECDMO Cc1c(O)ccc(C[N@@H+]2CCN(C)c3ncccc3C2)c1O ZINC001140747922 816341384 /nfs/dbraw/zinc/34/13/84/816341384.db2.gz DETSQOXPRNVBNZ-UHFFFAOYSA-N 1 1 299.374 2.253 20 10 CECDMO COC(=O)[C@H]1CCC[N@@H+](Cc2ccc(O)c(C)c2O)[C@H]1C ZINC001140749229 816343464 /nfs/dbraw/zinc/34/34/64/816343464.db2.gz SFZVWPRSADQXAI-AAEUAGOBSA-N 1 1 293.363 2.180 20 10 CECDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@H](F)[C@H](O)C2)c(O)c1 ZINC001140850068 816382492 /nfs/dbraw/zinc/38/24/92/816382492.db2.gz CHQZWSWLAALAJP-GDBMZVCRSA-N 1 1 296.386 2.143 20 10 CECDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H](CO)C2)c(O)c1 ZINC001140851508 816383712 /nfs/dbraw/zinc/38/37/12/816383712.db2.gz KELYSOARBMPCLK-CQSZACIVSA-N 1 1 292.423 2.443 20 10 CECDMO Cc1ccc(C[N@H+]2CCC[C@]3(CCCC(=O)N3)C2)c(O)c1 ZINC001140949902 816421800 /nfs/dbraw/zinc/42/18/00/816421800.db2.gz JNTBGZAHPPVPMF-QGZVFWFLSA-N 1 1 288.391 2.335 20 10 CECDMO Cc1[nH+]cc2n1CCN(Cc1ccc(C)cc1O)C2 ZINC001140947902 816421811 /nfs/dbraw/zinc/42/18/11/816421811.db2.gz KSEUYLSDYFESDA-UHFFFAOYSA-N 1 1 257.337 2.221 20 10 CECDMO Cc1ccc(C[N@H+]2CCC[C@@]3(CCCC(=O)N3)C2)c(O)c1 ZINC001140949901 816422641 /nfs/dbraw/zinc/42/26/41/816422641.db2.gz JNTBGZAHPPVPMF-KRWDZBQOSA-N 1 1 288.391 2.335 20 10 CECDMO COC(=O)[C@H]1CCC[N@@H+](Cc2ccc(C)cc2O)[C@@H]1C ZINC001140950733 816424182 /nfs/dbraw/zinc/42/41/82/816424182.db2.gz GAEMKPYIYXFUBJ-OCCSQVGLSA-N 1 1 277.364 2.474 20 10 CECDMO COc1cc(O)c(C[N@H+]2CC[C@@]3(CCOC3)C2)c(OC)c1 ZINC001141026521 816448478 /nfs/dbraw/zinc/44/84/78/816448478.db2.gz UDDUNDFHLJYSPJ-MRXNPFEDSA-N 1 1 293.363 2.022 20 10 CECDMO OC[C@H]1CC[N@@H+](Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141076252 816472095 /nfs/dbraw/zinc/47/20/95/816472095.db2.gz OMOKZRBLYKWHRA-AWEZNQCLSA-N 1 1 286.419 2.200 20 10 CECDMO CN1CCOc2cc(C[N@@H+]3CCOCC3(C)C)ccc21 ZINC001141143368 816485532 /nfs/dbraw/zinc/48/55/32/816485532.db2.gz WGDQPCXJOPEFHD-UHFFFAOYSA-N 1 1 276.380 2.126 20 10 CECDMO CN1CCOc2cc(C[N@H+]3CCOCC3(C)C)ccc21 ZINC001141143368 816485537 /nfs/dbraw/zinc/48/55/37/816485537.db2.gz WGDQPCXJOPEFHD-UHFFFAOYSA-N 1 1 276.380 2.126 20 10 CECDMO COCC[N@@H+](Cc1ccc2c(c1)OCCN2C)C(C)C ZINC001141143217 816485866 /nfs/dbraw/zinc/48/58/66/816485866.db2.gz PJROKDKPPQSLRZ-UHFFFAOYSA-N 1 1 278.396 2.372 20 10 CECDMO CN1CCOc2cc(C[N@H+]3CCC[C@@H](CCO)C3)ccc21 ZINC001141143518 816485921 /nfs/dbraw/zinc/48/59/21/816485921.db2.gz CBJSXTJRTCAECQ-AWEZNQCLSA-N 1 1 290.407 2.110 20 10 CECDMO Oc1ccc(O)c(C[N@H+]2CC[C@]3(C2)CC(F)(F)CO3)c1 ZINC001141160597 816492449 /nfs/dbraw/zinc/49/24/49/816492449.db2.gz FNFKNOMFQMXSEU-CYBMUJFWSA-N 1 1 285.290 2.098 20 10 CECDMO Cc1ccc(O)c(C[N@@H+]2CCCN(C(=O)C(C)C)CC2)c1 ZINC000123608038 365640027 /nfs/dbraw/zinc/64/00/27/365640027.db2.gz VAPKYJMFRQLFLZ-UHFFFAOYSA-N 1 1 290.407 2.391 20 10 CECDMO CN(C)c1ccc(C[N@@H+](C)C[C@@H]2CCC[C@@H]2O)cc1 ZINC000091898570 344173533 /nfs/dbraw/zinc/17/35/33/344173533.db2.gz GOKUTTBQEJZCTI-HOCLYGCPSA-N 1 1 262.397 2.345 20 10 CECDMO C[C@@H](O)[C@H]1CCCC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000092971145 344209036 /nfs/dbraw/zinc/20/90/36/344209036.db2.gz QXEVBMPBHNAJEH-CZUORRHYSA-N 1 1 262.397 2.488 20 10 CECDMO Oc1cc2c(cc1C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1)OCO2 ZINC000284025527 344677991 /nfs/dbraw/zinc/67/79/91/344677991.db2.gz IFRGIFZBKWDIBU-OCCSQVGLSA-N 1 1 291.347 2.264 20 10 CECDMO COc1cccc(C[N@H+]2CCS[C@@H]3COCC[C@@H]32)c1O ZINC000091856408 364073858 /nfs/dbraw/zinc/07/38/58/364073858.db2.gz QCXHNQYGNVSMGD-GXTWGEPZSA-N 1 1 295.404 2.107 20 10 CECDMO COc1ccc(O)c(C[N@H+]2CCS[C@H]3COCC[C@@H]32)c1 ZINC000180683418 368392032 /nfs/dbraw/zinc/39/20/32/368392032.db2.gz TVSVXVLZPJXEDT-ZFWWWQNUSA-N 1 1 295.404 2.107 20 10 CECDMO COC[C@H]1CN(Cc2cccc(Cl)c2[O-])C[C@@H](C)O1 ZINC000188360531 369343470 /nfs/dbraw/zinc/34/34/70/369343470.db2.gz OMNPVGSSDCLINV-ZYHUDNBSSA-N 1 1 285.771 2.281 20 10 CECDMO COCCO[C@H]1CC[N@@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000188920735 369429087 /nfs/dbraw/zinc/42/90/87/369429087.db2.gz XCSXBNTUQCTMCJ-HNNXBMFYSA-N 1 1 279.380 2.246 20 10 CECDMO C[C@H]([NH2+]CC1(C)OCCCO1)c1ccc(F)cc1O ZINC000190654813 369642151 /nfs/dbraw/zinc/64/21/51/369642151.db2.gz PGRKZKDEXLCHHP-JTQLQIEISA-N 1 1 269.316 2.335 20 10 CECDMO CN1CCC[N@@H+](Cc2c(O)ccc3ccccc32)CC1=O ZINC000191912780 369753098 /nfs/dbraw/zinc/75/30/98/369753098.db2.gz BKKBHAKLXHNIIR-UHFFFAOYSA-N 1 1 284.359 2.210 20 10 CECDMO CCOc1ccc(O)c(C[N@@H+]2CC[S@](=O)CC[C@@H]2C)c1 ZINC000365447446 372863986 /nfs/dbraw/zinc/86/39/86/372863986.db2.gz NHCQQLYRELOKHM-FKIZINRSSA-N 1 1 297.420 2.134 20 10 CECDMO CCOc1ccc(O)c(C[N@H+]2CC[S@](=O)CC[C@@H]2C)c1 ZINC000365447446 372863993 /nfs/dbraw/zinc/86/39/93/372863993.db2.gz NHCQQLYRELOKHM-FKIZINRSSA-N 1 1 297.420 2.134 20 10 CECDMO O=C1CCCN1C1CC[NH+](Cc2cccc(F)c2O)CC1 ZINC000272252227 373386248 /nfs/dbraw/zinc/38/62/48/373386248.db2.gz INTPLIZYCBLXAG-UHFFFAOYSA-N 1 1 292.354 2.118 20 10 CECDMO CN(C)c1ccc(C[N@H+]2CC[C@H]3CCN(C)C[C@H]32)cc1 ZINC000272267701 373396937 /nfs/dbraw/zinc/39/69/37/373396937.db2.gz BHWSAPQRFQTZKG-NVXWUHKLSA-N 1 1 273.424 2.279 20 10 CECDMO CN(C)c1ccc(CN2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1 ZINC000272267701 373396944 /nfs/dbraw/zinc/39/69/44/373396944.db2.gz BHWSAPQRFQTZKG-NVXWUHKLSA-N 1 1 273.424 2.279 20 10 CECDMO CN(C)c1ccc(CN2CC[C@H]3CC[N@@H+](C)C[C@H]32)cc1 ZINC000272267701 373396947 /nfs/dbraw/zinc/39/69/47/373396947.db2.gz BHWSAPQRFQTZKG-NVXWUHKLSA-N 1 1 273.424 2.279 20 10 CECDMO CCOc1cccc(C[N@H+]2CC[C@H]3CCN(C)C[C@@H]32)c1O ZINC000272700952 373621050 /nfs/dbraw/zinc/62/10/50/373621050.db2.gz YQMGXUFWANMAGS-HIFRSBDPSA-N 1 1 290.407 2.317 20 10 CECDMO CCOc1cccc(CN2CC[C@H]3CC[N@H+](C)C[C@@H]32)c1O ZINC000272700952 373621055 /nfs/dbraw/zinc/62/10/55/373621055.db2.gz YQMGXUFWANMAGS-HIFRSBDPSA-N 1 1 290.407 2.317 20 10 CECDMO CCOc1cccc(CN2CC[C@H]3CC[N@@H+](C)C[C@@H]32)c1O ZINC000272700952 373621058 /nfs/dbraw/zinc/62/10/58/373621058.db2.gz YQMGXUFWANMAGS-HIFRSBDPSA-N 1 1 290.407 2.317 20 10 CECDMO CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000273424981 373758396 /nfs/dbraw/zinc/75/83/96/373758396.db2.gz TVQFBAYAOHWKTA-NEPJUHHUSA-N 1 1 293.367 2.293 20 10 CECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H](C)[C@H]2CCOC2)c1 ZINC000273554510 373764604 /nfs/dbraw/zinc/76/46/04/373764604.db2.gz GQSONMICQHKBRR-MDZLAQPJSA-N 1 1 293.363 2.254 20 10 CECDMO COCC[C@@H](C)[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000273604644 373766783 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UGTWQBVMLCKFRG-ZDUSSCGKSA-N 1 1 295.404 2.039 20 10 CECDMO CCC([NH3+])(CC)CNCc1ccc(N2CCOCC2)cc1 ZINC000841030355 639622871 /nfs/dbraw/zinc/62/28/71/639622871.db2.gz FQEKIZPIQMBZFF-UHFFFAOYSA-N 1 1 291.439 2.130 20 10 CECDMO CCOCc1cc(CNC[C@@H]2CCC[NH2+]C2)ccc1OC ZINC000841033012 639625424 /nfs/dbraw/zinc/62/54/24/639625424.db2.gz MBRYQJIMUVGVLO-OAHLLOKOSA-N 1 1 292.423 2.321 20 10 CECDMO C[C@H](CN)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000841061265 639636534 /nfs/dbraw/zinc/63/65/34/639636534.db2.gz WKBJGCCHJPPBIS-SECBINFHSA-N 1 1 275.318 2.208 20 10 CECDMO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCCN[C@@H]1C ZINC000841063148 639638193 /nfs/dbraw/zinc/63/81/93/639638193.db2.gz IWFXHLGXXHBPLH-CZUORRHYSA-N 1 1 261.413 2.291 20 10 CECDMO CC1([NH2+]Cc2cc(Br)ccc2[O-])CC[NH2+]CC1 ZINC000841064770 639640042 /nfs/dbraw/zinc/64/00/42/639640042.db2.gz JJATVIOXRLIYCL-UHFFFAOYSA-N 1 1 299.212 2.386 20 10 CECDMO CN(C)c1ccc(CN[C@H]2CC[NH2+]CC2(C)C)cc1F ZINC000841072352 639643844 /nfs/dbraw/zinc/64/38/44/639643844.db2.gz IYQOCKWUPLEKEZ-HNNXBMFYSA-N 1 1 279.403 2.369 20 10 CECDMO [NH3+]CC[C@H](NCc1cccc(Cl)c1O)C(F)F ZINC000841072899 639644019 /nfs/dbraw/zinc/64/40/19/639644019.db2.gz CHVIBKFYCOOXMT-VIFPVBQESA-N 1 1 264.703 2.118 20 10 CECDMO C[C@@H]([NH3+])[C@@H]1CCCN(Cc2ccc(N(C)C)c(F)c2)C1 ZINC000843052448 640254224 /nfs/dbraw/zinc/25/42/24/640254224.db2.gz UEPDNEDXDGHJQW-TZMCWYRMSA-N 1 1 279.403 2.451 20 10 CECDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@H]2CN)cc1 ZINC000843054288 640257773 /nfs/dbraw/zinc/25/77/73/640257773.db2.gz JCOIJXRXKOQPKK-INIZCTEOSA-N 1 1 261.413 2.456 20 10 CECDMO C[C@H]1[NH2+]CCN(Cc2cc(Cl)cc(F)c2O)[C@@H]1C ZINC000843056847 640258508 /nfs/dbraw/zinc/25/85/08/640258508.db2.gz AUHINIGQPNBLSY-RKDXNWHRSA-N 1 1 272.751 2.367 20 10 CECDMO CCOc1ccc(C[N@H+](C)CC(C)(C)C[NH3+])c([O-])c1 ZINC000843056691 640258643 /nfs/dbraw/zinc/25/86/43/640258643.db2.gz WOILQGGMQNYQJP-UHFFFAOYSA-N 1 1 266.385 2.208 20 10 CECDMO CCOc1ccc(C[N@@H+](C)CC(C)(C)C[NH3+])c([O-])c1 ZINC000843056691 640258645 /nfs/dbraw/zinc/25/86/45/640258645.db2.gz WOILQGGMQNYQJP-UHFFFAOYSA-N 1 1 266.385 2.208 20 10 CECDMO C[C@@H]1CCC[N@@H+](Cc2cccc(F)c2[O-])[C@H]1CC[NH3+] ZINC000844901216 640859804 /nfs/dbraw/zinc/85/98/04/640859804.db2.gz FZCVMLSBEXUJPN-RISCZKNCSA-N 1 1 266.360 2.481 20 10 CECDMO COc1cccc(C[N@H+]2CCC[C@@H]2C(C)(C)O)c1O ZINC000154415628 640889605 /nfs/dbraw/zinc/88/96/05/640889605.db2.gz GJEUBXXHPWEUGZ-CYBMUJFWSA-N 1 1 265.353 2.136 20 10 CECDMO COc1cccc([C@H](C)[NH2+][C@H](C)CCN(C)C)c1O ZINC000846142346 641199231 /nfs/dbraw/zinc/19/92/31/641199231.db2.gz RROJXYKURJRRJR-NEPJUHHUSA-N 1 1 266.385 2.392 20 10 CECDMO COc1cccc([C@H](C)[NH2+]C[C@H]2CCCN(C)C2)c1O ZINC000846147747 641202153 /nfs/dbraw/zinc/20/21/53/641202153.db2.gz VIPDQCYIWSDLIL-QWHCGFSZSA-N 1 1 278.396 2.393 20 10 CECDMO CC[N@@H+](CCOC)Cc1c(O)ccc2ccncc21 ZINC000921045802 641223806 /nfs/dbraw/zinc/22/38/06/641223806.db2.gz FHOHBIQQWQUEAH-UHFFFAOYSA-N 1 1 260.337 2.409 20 10 CECDMO Cc1ccc(C(=O)NCCC[N@H+](C)CC(C)C)c(O)c1O ZINC000846290784 641262095 /nfs/dbraw/zinc/26/20/95/641262095.db2.gz FOADDDNGCABTKK-UHFFFAOYSA-N 1 1 294.395 2.114 20 10 CECDMO OCCO[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000179574598 641364351 /nfs/dbraw/zinc/36/43/51/641364351.db2.gz HMYNIBDSSFRULX-ZDUSSCGKSA-N 1 1 285.771 2.019 20 10 CECDMO Cn1nccc1C[NH2+]Cc1cccc(Br)c1O ZINC000071138206 641724879 /nfs/dbraw/zinc/72/48/79/641724879.db2.gz VTPPZPJGSYRHMZ-UHFFFAOYSA-N 1 1 296.168 2.178 20 10 CECDMO Cc1ccc(C[N@H+]2CCO[C@H](COC(C)C)C2)c(O)c1 ZINC000877402262 650707694 /nfs/dbraw/zinc/70/76/94/650707694.db2.gz AWCSHTLJROJSHS-HNNXBMFYSA-N 1 1 279.380 2.326 20 10 CECDMO CC[C@H]1CCC[N@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000768450989 642100441 /nfs/dbraw/zinc/10/04/41/642100441.db2.gz KYMOPICSBJEAQF-SMDDNHRTSA-N 1 1 263.337 2.192 20 10 CECDMO CCc1cccc(C[N@H+]2CCN(C)[C@@H](C)[C@@H]2C)c1O ZINC000848904441 642181180 /nfs/dbraw/zinc/18/11/80/642181180.db2.gz UBYXPMVYOVFWEM-STQMWFEESA-N 1 1 262.397 2.479 20 10 CECDMO CCc1cccc(CN2CC[N@H+](C)[C@@H](C)[C@@H]2C)c1O ZINC000848904441 642181184 /nfs/dbraw/zinc/18/11/84/642181184.db2.gz UBYXPMVYOVFWEM-STQMWFEESA-N 1 1 262.397 2.479 20 10 CECDMO CCc1cccc(CN2CC[N@@H+](C)[C@@H](C)[C@@H]2C)c1O ZINC000848904441 642181190 /nfs/dbraw/zinc/18/11/90/642181190.db2.gz UBYXPMVYOVFWEM-STQMWFEESA-N 1 1 262.397 2.479 20 10 CECDMO CCc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](COC)C2)c1O ZINC000848905151 642181686 /nfs/dbraw/zinc/18/16/86/642181686.db2.gz HVTVLUBQZGOPQU-IUODEOHRSA-N 1 1 279.380 2.190 20 10 CECDMO Cc1ccc(C[N@H+]2CCOC[C@H]2[C@H]2CCCC2=O)c(O)c1 ZINC000877465844 650731726 /nfs/dbraw/zinc/73/17/26/650731726.db2.gz YXJQBXWBQUOSMN-CABCVRRESA-N 1 1 289.375 2.271 20 10 CECDMO Cc1ccc(C[NH+]2C[C@H](C)S(=O)[C@@H](C)C2)c(O)c1 ZINC000877473622 650737893 /nfs/dbraw/zinc/73/78/93/650737893.db2.gz NWHFMBHXZOGYPS-RYUDHWBXSA-N 1 1 267.394 2.042 20 10 CECDMO CC(C)(C)[N@@H+]1CC[C@H](NCc2cc3c(cc2O)OCO3)C1 ZINC000850350262 642676291 /nfs/dbraw/zinc/67/62/91/642676291.db2.gz ABTBNUJSDSNPNO-LBPRGKRZSA-N 1 1 292.379 2.083 20 10 CECDMO CC(C)(C)[N@H+]1CC[C@H](NCc2cc3c(cc2O)OCO3)C1 ZINC000850350262 642676294 /nfs/dbraw/zinc/67/62/94/642676294.db2.gz ABTBNUJSDSNPNO-LBPRGKRZSA-N 1 1 292.379 2.083 20 10 CECDMO CCC[N@H+](Cc1ccccc1O)C[C@@H]1CCC(=O)O1 ZINC000851792780 643163947 /nfs/dbraw/zinc/16/39/47/643163947.db2.gz SRJQOHQBUUMDNQ-ZDUSSCGKSA-N 1 1 263.337 2.310 20 10 CECDMO CCCC[N@H+](Cc1ccccc1O)C[C@@H]1CNC(=O)C1 ZINC000852019101 643268290 /nfs/dbraw/zinc/26/82/90/643268290.db2.gz UQCAPUNSJDOBLW-ZDUSSCGKSA-N 1 1 276.380 2.130 20 10 CECDMO CCC[C@H](O)CC[NH2+]Cc1cc(F)cc(F)c1O ZINC000922816860 643280675 /nfs/dbraw/zinc/28/06/75/643280675.db2.gz KQOONMIGCFOWHM-NSHDSACASA-N 1 1 259.296 2.311 20 10 CECDMO COC(=O)C12CC(C1)C[N@@H+]2Cc1ccc(N(C)C)c(C)c1 ZINC000852444284 643429485 /nfs/dbraw/zinc/42/94/85/643429485.db2.gz UMXZOWGQZGIITL-UHFFFAOYSA-N 1 1 288.391 2.198 20 10 CECDMO COC(=O)C12CC(C1)C[N@H+]2Cc1ccc(N(C)C)c(C)c1 ZINC000852444284 643429489 /nfs/dbraw/zinc/42/94/89/643429489.db2.gz UMXZOWGQZGIITL-UHFFFAOYSA-N 1 1 288.391 2.198 20 10 CECDMO CC(=O)c1cc(F)cc(C[N@@H+]2C[C@@H]3COC[C@@]3(C)C2)c1O ZINC000852534692 643461164 /nfs/dbraw/zinc/46/11/64/643461164.db2.gz NURFQHLXNLZZDG-MLGOLLRUSA-N 1 1 293.338 2.202 20 10 CECDMO CC(=O)c1cc(F)cc(C[N@H+]2C[C@@H]3COC[C@@]3(C)C2)c1O ZINC000852534692 643461166 /nfs/dbraw/zinc/46/11/66/643461166.db2.gz NURFQHLXNLZZDG-MLGOLLRUSA-N 1 1 293.338 2.202 20 10 CECDMO CC[C@]1(O)CCC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000877692631 650853746 /nfs/dbraw/zinc/85/37/46/650853746.db2.gz MJOJPLBILOSHJM-INIZCTEOSA-N 1 1 262.397 2.490 20 10 CECDMO Cc1cc(CN2CC[C@H]3[NH2+]CC[C@H]3C2)ccc1N(C)C ZINC000923358690 643677406 /nfs/dbraw/zinc/67/74/06/643677406.db2.gz KNZWGMMFQFLJTA-JKSUJKDBSA-N 1 1 273.424 2.245 20 10 CECDMO Cc1cc(CN[C@@H]2C[C@H]([NH3+])C2(C)C)ccc1N(C)C ZINC000923423628 643703940 /nfs/dbraw/zinc/70/39/40/643703940.db2.gz YBCHCOISJFJVRY-LSDHHAIUSA-N 1 1 261.413 2.276 20 10 CECDMO Cn1ncc2cc(C[N@@H+]3Cc4cccc(O)c4C3)cnc21 ZINC000877703269 650859880 /nfs/dbraw/zinc/85/98/80/650859880.db2.gz ZCQBGMALZPXSQA-UHFFFAOYSA-N 1 1 280.331 2.190 20 10 CECDMO Cn1ncc2cc(C[N@H+]3Cc4cccc(O)c4C3)cnc21 ZINC000877703269 650859884 /nfs/dbraw/zinc/85/98/84/650859884.db2.gz ZCQBGMALZPXSQA-UHFFFAOYSA-N 1 1 280.331 2.190 20 10 CECDMO C[C@H]1CCOCC[N@H+]1Cc1cc2c(cc1O)CCC2 ZINC000774661144 643804272 /nfs/dbraw/zinc/80/42/72/643804272.db2.gz VKHNPWOJVIELEN-LBPRGKRZSA-N 1 1 261.365 2.492 20 10 CECDMO CC(C)C1(O)C[NH+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000839132794 644168912 /nfs/dbraw/zinc/16/89/12/644168912.db2.gz FQGZRRAITVCKNC-AATRIKPKSA-N 1 1 274.408 2.469 20 10 CECDMO CCOc1ccc(C[NH+]2CC(C)(OCC)C2)c(O)c1 ZINC000839141989 644173318 /nfs/dbraw/zinc/17/33/18/644173318.db2.gz DGTRYZORNOYYSX-UHFFFAOYSA-N 1 1 265.353 2.402 20 10 CECDMO COc1cc(C)cc(C[N@H+]2CCC[C@H]2C[C@@H](C)O)c1O ZINC000754748431 644423843 /nfs/dbraw/zinc/42/38/43/644423843.db2.gz LYVIFGNLGGFPIY-OCCSQVGLSA-N 1 1 279.380 2.445 20 10 CECDMO COC(=O)[C@@H]1C[N@@H+](Cc2cc(C)cc(C)c2O)C[C@H]1C ZINC000754740364 644423848 /nfs/dbraw/zinc/42/38/48/644423848.db2.gz QTRUCHNIZIZNJT-TZMCWYRMSA-N 1 1 277.364 2.250 20 10 CECDMO CCOc1ccc(C[N@H+]2CC[C@@H](C(C)(C)O)C2)c(O)c1 ZINC000877835172 650928018 /nfs/dbraw/zinc/92/80/18/650928018.db2.gz IYGBPQKKWOZGSM-CYBMUJFWSA-N 1 1 279.380 2.384 20 10 CECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2cc(C)n[nH]2)c1 ZINC000756586688 644672375 /nfs/dbraw/zinc/67/23/75/644672375.db2.gz VRFZFXAGIRLSCG-JTQLQIEISA-N 1 1 289.335 2.061 20 10 CECDMO Cc1nnc([C@@H]2CC[N@H+](Cc3ccc(N(C)C)cc3)C2)[nH]1 ZINC000839658196 644764846 /nfs/dbraw/zinc/76/48/46/644764846.db2.gz DKRIFVBMIMALRA-CQSZACIVSA-N 1 1 285.395 2.169 20 10 CECDMO Cc1n[nH]c([C@@H]2CC[N@@H+](Cc3ccc(N(C)C)cc3)C2)n1 ZINC000839658196 644764851 /nfs/dbraw/zinc/76/48/51/644764851.db2.gz DKRIFVBMIMALRA-CQSZACIVSA-N 1 1 285.395 2.169 20 10 CECDMO Cc1n[nH]c([C@@H]2CC[N@H+](Cc3ccc(N(C)C)cc3)C2)n1 ZINC000839658196 644764854 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271.307 2.265 20 10 CECDMO CC[C@H]([NH2+][C@H]1CCN(C)C1)c1ccc(F)cc1O ZINC000796748349 629986335 /nfs/dbraw/zinc/98/63/35/629986335.db2.gz UNGJBFKNONQWKG-AAEUAGOBSA-N 1 1 252.333 2.276 20 10 CECDMO COc1cc(C)cc(C[NH2+][C@@H]2C[C@H](C)n3ncnc32)c1O ZINC000895232045 630044366 /nfs/dbraw/zinc/04/43/66/630044366.db2.gz XWLKMOALRJIEEZ-CMPLNLGQSA-N 1 1 288.351 2.096 20 10 CECDMO CN(Cc1ccccc1O)C(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC000895755723 630331873 /nfs/dbraw/zinc/33/18/73/630331873.db2.gz NMCOBJGIFTZBNC-CYBMUJFWSA-N 1 1 276.380 2.223 20 10 CECDMO Cc1ccc(C[N@H+]2CC[C@](CO)(C(F)(F)F)C2)c(O)c1 ZINC000895836667 630372424 /nfs/dbraw/zinc/37/24/24/630372424.db2.gz DKQWFDQBNASLOK-ZDUSSCGKSA-N 1 1 289.297 2.447 20 10 CECDMO Oc1cccc(Cl)c1C[N@H+]1CC[C@@H](C2OCCO2)C1 ZINC000896384560 630548907 /nfs/dbraw/zinc/54/89/07/630548907.db2.gz MYPKIUMTRWBQST-SNVBAGLBSA-N 1 1 283.755 2.240 20 10 CECDMO CCc1nn(C)cc1C[NH2+]Cc1c(O)cccc1F ZINC000896636770 630620533 /nfs/dbraw/zinc/62/05/33/630620533.db2.gz 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ZINC000816569759 633414936 /nfs/dbraw/zinc/41/49/36/633414936.db2.gz VYXIFNBAIWQAEB-UHFFFAOYSA-N 1 1 259.708 2.140 20 10 CECDMO C[N@@H+](Cc1cc(Cl)c(F)cc1O)C1CC(O)C1 ZINC000816569759 633414940 /nfs/dbraw/zinc/41/49/40/633414940.db2.gz VYXIFNBAIWQAEB-UHFFFAOYSA-N 1 1 259.708 2.140 20 10 CECDMO Cc1c(Cl)c(C[NH2+]Cc2ccccc2O)nn1C ZINC000817407501 633648652 /nfs/dbraw/zinc/64/86/52/633648652.db2.gz RCVSKGGBGLCOHN-UHFFFAOYSA-N 1 1 265.744 2.377 20 10 CECDMO C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1cc(F)ccc1[O-] ZINC000817941131 633789885 /nfs/dbraw/zinc/78/98/85/633789885.db2.gz MSFXMFCROWYLGG-SNVBAGLBSA-N 1 1 252.333 2.182 20 10 CECDMO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCCCN2)c1 ZINC000817949869 633795323 /nfs/dbraw/zinc/79/53/23/633795323.db2.gz OMHAWZBAXBPGHZ-RYUDHWBXSA-N 1 1 264.369 2.194 20 10 CECDMO C[C@@H]([NH2+]CCNC1CC1)c1cc(Cl)ccc1O ZINC000817954555 633799003 /nfs/dbraw/zinc/79/90/03/633799003.db2.gz YQGRBIPXGUKOKJ-SECBINFHSA-N 1 1 254.761 2.448 20 10 CECDMO C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1cc(F)ccc1[O-] ZINC000817968455 633811908 /nfs/dbraw/zinc/81/19/08/633811908.db2.gz JNYDPBIILHZMTD-ZYHUDNBSSA-N 1 1 252.333 2.324 20 10 CECDMO Cc1cc(Cl)cc([C@H](C)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c1O ZINC000817977120 633820019 /nfs/dbraw/zinc/82/00/19/633820019.db2.gz BRRXUFYVPBUSTP-HWNAMQAFSA-N 1 1 266.772 2.222 20 10 CECDMO Cc1cc(C)c([C@H](C)NC[C@H]2C[NH2+]CCCO2)c(O)c1 ZINC000817981907 633825209 /nfs/dbraw/zinc/82/52/09/633825209.db2.gz OIUGOSWZPSSULL-UONOGXRCSA-N 1 1 278.396 2.038 20 10 CECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H]2CC23CC3)c1 ZINC000818355330 633914998 /nfs/dbraw/zinc/91/49/98/633914998.db2.gz CSTWBCINOIROIB-RNCFNFMXSA-N 1 1 261.321 2.382 20 10 CECDMO Oc1ccc(Cl)cc1C[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000822503318 634932891 /nfs/dbraw/zinc/93/28/91/634932891.db2.gz FZNRMVZEHACNOK-ZDUSSCGKSA-N 1 1 292.770 2.474 20 10 CECDMO CC[C@@H]([NH2+]C1CC(CC(N)=O)C1)c1ccc(F)cc1O ZINC000903252277 635029287 /nfs/dbraw/zinc/02/92/87/635029287.db2.gz BGQXYZVRKDPASG-QEIKUCIBSA-N 1 1 280.343 2.226 20 10 CECDMO COc1nccnc1C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000824196553 635374309 /nfs/dbraw/zinc/37/43/09/635374309.db2.gz UDBYOKFTNWVAPD-LBPRGKRZSA-N 1 1 286.379 2.402 20 10 CECDMO Cc1cc(O)c(C[N@@H+]2CCCC[C@@H]2C(N)=O)cc1Cl ZINC000824523267 635440639 /nfs/dbraw/zinc/44/06/39/635440639.db2.gz XFLUNUHCDWZLKV-GFCCVEGCSA-N 1 1 282.771 2.194 20 10 CECDMO Cc1cc(O)c(C[N@H+]2CCCC[C@@H]2C(N)=O)cc1Cl ZINC000824523267 635440643 /nfs/dbraw/zinc/44/06/43/635440643.db2.gz XFLUNUHCDWZLKV-GFCCVEGCSA-N 1 1 282.771 2.194 20 10 CECDMO OC[C@H]1CCC[N@H+]1Cc1ccc(Br)cc1O ZINC000824548142 635447663 /nfs/dbraw/zinc/44/76/63/635447663.db2.gz IEVFBVPHBZVHNY-LLVKDONJSA-N 1 1 286.169 2.111 20 10 CECDMO Cc1cc(O)c(C[N@@H+](CCO)C2CC2)cc1Cl ZINC000824561217 635451899 /nfs/dbraw/zinc/45/18/99/635451899.db2.gz SRMPOKMUSGYKCR-UHFFFAOYSA-N 1 1 255.745 2.311 20 10 CECDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000824576086 635455574 /nfs/dbraw/zinc/45/55/74/635455574.db2.gz ZVEUOCPUKIHGIB-SNVBAGLBSA-N 1 1 283.755 2.349 20 10 CECDMO CC[C@@H]1[C@H](CO)CC[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000824636760 635468397 /nfs/dbraw/zinc/46/83/97/635468397.db2.gz SMYINSUMEWMIBR-DZGCQCFKSA-N 1 1 280.387 2.485 20 10 CECDMO CC[C@@H]1[C@H](CO)CC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000824636815 635468508 /nfs/dbraw/zinc/46/85/08/635468508.db2.gz TYMBCOPWXBJLAA-GOEBONIOSA-N 1 1 262.397 2.345 20 10 CECDMO Cc1ccc(O)c(C[N@H+]2C[C@H](O)C[C@H]2[C@H]2CCCOC2)c1 ZINC000824653789 635470998 /nfs/dbraw/zinc/47/09/98/635470998.db2.gz IASOXGULSFDJQS-IMJJTQAJSA-N 1 1 291.391 2.062 20 10 CECDMO CCCN1CCC([NH2+]Cc2cc3c(cc2O)OCO3)CC1 ZINC000042879552 635508545 /nfs/dbraw/zinc/50/85/45/635508545.db2.gz BLKGQXZLWFTSOG-UHFFFAOYSA-N 1 1 292.379 2.085 20 10 CECDMO CCC[NH+]1CCC(NCc2cc3c(cc2O)OCO3)CC1 ZINC000042879552 635508549 /nfs/dbraw/zinc/50/85/49/635508549.db2.gz BLKGQXZLWFTSOG-UHFFFAOYSA-N 1 1 292.379 2.085 20 10 CECDMO CN(C)c1ccc(C[N@@H+]2CC[S@](=O)C(C)(C)CC2)cc1 ZINC000825024656 635541478 /nfs/dbraw/zinc/54/14/78/635541478.db2.gz SMBYVYNTKIUYSX-FQEVSTJZSA-N 1 1 294.464 2.486 20 10 CECDMO CN(C)c1ccc(C[N@H+]2CC[S@](=O)C(C)(C)CC2)cc1 ZINC000825024656 635541481 /nfs/dbraw/zinc/54/14/81/635541481.db2.gz SMBYVYNTKIUYSX-FQEVSTJZSA-N 1 1 294.464 2.486 20 10 CECDMO COc1cc(Cl)cc(C[N@H+]2CC[C@@H](O)[C@H]2C)c1O ZINC000825104486 635570284 /nfs/dbraw/zinc/57/02/84/635570284.db2.gz YAIXXJGCVAEGSG-LDYMZIIASA-N 1 1 271.744 2.009 20 10 CECDMO Cc1cc(Cl)cc(C[N@H+](CCO)[C@@H]2CCO[C@H]2C)c1O ZINC000825130376 635576069 /nfs/dbraw/zinc/57/60/69/635576069.db2.gz WZTCQOIJUHSAMZ-SMDDNHRTSA-N 1 1 299.798 2.326 20 10 CECDMO CN(C)c1ccc(C[N@H+]2CC[C@H](CCCO)C2)cc1 ZINC000825338304 635620511 /nfs/dbraw/zinc/62/05/11/635620511.db2.gz ODDWVNXQZGJRJS-AWEZNQCLSA-N 1 1 262.397 2.347 20 10 CECDMO CCOc1ccc(C[N@H+]2CC[C@@H](CCCO)C2)c(O)c1 ZINC000825338666 635620598 /nfs/dbraw/zinc/62/05/98/635620598.db2.gz SWDSQVAALZTBQJ-CYBMUJFWSA-N 1 1 279.380 2.385 20 10 CECDMO CCOc1ccc(C[N@H+]2C[C@H]3COC[C@]3(C)C2)c(O)c1 ZINC000827284300 636279321 /nfs/dbraw/zinc/27/93/21/636279321.db2.gz UPENTPDTLGREIL-BBRMVZONSA-N 1 1 277.364 2.259 20 10 CECDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC000828327814 636571577 /nfs/dbraw/zinc/57/15/77/636571577.db2.gz SPSREEGVJDNQMU-CQSZACIVSA-N 1 1 274.364 2.107 20 10 CECDMO CC[N@H+]1CC[C@H](N(C)C(=O)C2=CC(=O)CS2)C[C@@H]1C ZINC000828491264 636609427 /nfs/dbraw/zinc/60/94/27/636609427.db2.gz XWYWDELAZHTDRN-QWRGUYRKSA-N 1 1 282.409 2.399 20 10 CECDMO C[N@H+]1CCC[C@]2(CCN(C(=O)C3=CC(=O)CS3)C2)C1 ZINC000832870503 637697157 /nfs/dbraw/zinc/69/71/57/637697157.db2.gz LZGCXRPZIPLMKF-AWEZNQCLSA-N 1 1 280.393 2.012 20 10 CECDMO CC[N@H+]1CCCN(C(=O)C2=CC(=O)CS2)[C@@H](C)C1 ZINC000910275445 637970014 /nfs/dbraw/zinc/97/00/14/637970014.db2.gz VSHVSLJWDHCVAV-JTQLQIEISA-N 1 1 268.382 2.010 20 10 CECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@H](C)CCCO)c1 ZINC000834871335 637976020 /nfs/dbraw/zinc/97/60/20/637976020.db2.gz NDNKHAWBJHLDMZ-VXGBXAGGSA-N 1 1 295.379 2.238 20 10 CECDMO CN(C)c1ccc(/C=C\C[N@@H+](C)[C@@H]2CCOC2)cc1 ZINC000835029603 638030349 /nfs/dbraw/zinc/03/03/49/638030349.db2.gz XYSWOILLOKSPQD-YIEVGGLXSA-N 1 1 260.381 2.487 20 10 CECDMO CC(C)[N@H+](C/C=C\c1ccc(N(C)C)cc1)CCO ZINC000835026639 638030642 /nfs/dbraw/zinc/03/06/42/638030642.db2.gz YXRDHKMDVQGXCX-WAYWQWQTSA-N 1 1 262.397 2.469 20 10 CECDMO C[C@H](O)[C@H]1CC[N@@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835045290 638036037 /nfs/dbraw/zinc/03/60/37/638036037.db2.gz UFIRHUZRJAUDFT-QNKPMFPBSA-N 1 1 274.408 2.469 20 10 CECDMO CCNC(=O)C(C)(C)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000835076373 638050337 /nfs/dbraw/zinc/05/03/37/638050337.db2.gz OVUAPZZJHUGGHE-UHFFFAOYSA-N 1 1 288.750 2.189 20 10 CECDMO Cc1cccc(O)c1C[N@H+](C)[C@@H]1CCN(C2CC2)C1 ZINC000876692440 650402726 /nfs/dbraw/zinc/40/27/26/650402726.db2.gz SRBIZYLFMYBVGG-CQSZACIVSA-N 1 1 260.381 2.369 20 10 CECDMO Cc1cccc(O)c1CN(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000876692440 650402729 /nfs/dbraw/zinc/40/27/29/650402729.db2.gz SRBIZYLFMYBVGG-CQSZACIVSA-N 1 1 260.381 2.369 20 10 CECDMO Cc1cccc(O)c1CN(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000876692440 650402733 /nfs/dbraw/zinc/40/27/33/650402733.db2.gz SRBIZYLFMYBVGG-CQSZACIVSA-N 1 1 260.381 2.369 20 10 CECDMO Cc1ccc(C[N@H+]2CCSC[C@@H]2CCO)c(O)c1 ZINC000876805678 650440404 /nfs/dbraw/zinc/44/04/04/650440404.db2.gz FAVXPUMEOYNLNS-ZDUSSCGKSA-N 1 1 267.394 2.000 20 10 CECDMO Cc1cccc(O)c1C[N@H+]1CCSC[C@@H]1CCO ZINC000876807001 650440641 /nfs/dbraw/zinc/44/06/41/650440641.db2.gz XBLNUNLFLDKGLO-LBPRGKRZSA-N 1 1 267.394 2.000 20 10 CECDMO OC[C@H](Cc1ccccc1)[NH2+]Cc1cccc(F)c1O ZINC000165041508 639413372 /nfs/dbraw/zinc/41/33/72/639413372.db2.gz KHCRLJPNDYYFKN-AWEZNQCLSA-N 1 1 275.323 2.225 20 10 CECDMO Cc1nc(CC[NH2+]Cc2c(O)cc(C)cc2Cl)n[nH]1 ZINC000840908253 639580545 /nfs/dbraw/zinc/58/05/45/639580545.db2.gz QWVCMCLKCCKHHE-UHFFFAOYSA-N 1 1 280.759 2.113 20 10 CECDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@@H](CO)C1 ZINC000840908039 639580647 /nfs/dbraw/zinc/58/06/47/639580647.db2.gz NGFLCHZFTZVXLR-CQSZACIVSA-N 1 1 262.397 2.265 20 10 CECDMO Cc1cc(O)c(C[N@H+]2CC[C@](C)(O)C2)c(Cl)c1 ZINC000840918782 639585711 /nfs/dbraw/zinc/58/57/11/639585711.db2.gz JRMQBENLUQGLPL-ZDUSSCGKSA-N 1 1 255.745 2.311 20 10 CECDMO COC[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2C)C[C@H](C)O1 ZINC000840940095 639593885 /nfs/dbraw/zinc/59/38/85/639593885.db2.gz UKABSFHGLYCHGL-WMLDXEAASA-N 1 1 292.423 2.297 20 10 CECDMO CNC(=O)[C@@]1(C)CC[N@@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000840941952 639595656 /nfs/dbraw/zinc/59/56/56/639595656.db2.gz HXAYIIOHWWEWKG-HNNXBMFYSA-N 1 1 296.798 2.312 20 10 CECDMO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3c(O)cc(C)cc3Cl)C[C@@H]21 ZINC000840949720 639597396 /nfs/dbraw/zinc/59/73/96/639597396.db2.gz BOYMRXCPCVUWJP-MSRIBSCDSA-N 1 1 295.766 2.205 20 10 CECDMO CC[C@@H](CO)[N@@H+](C)Cc1ccc(N(C)C)cc1C ZINC000840950635 639599373 /nfs/dbraw/zinc/59/93/73/639599373.db2.gz MEAZYZOWDYACOY-AWEZNQCLSA-N 1 1 250.386 2.264 20 10 CECDMO COc1c(O)c(C[NH2+][C@@H]2CS[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000840958569 639601464 /nfs/dbraw/zinc/60/14/64/639601464.db2.gz MVFZRZVMPHVVHY-SCZZXKLOSA-N 1 1 298.364 2.293 20 10 CECDMO COC(=O)[C@@]1(C)CCC[N@@H+](Cc2c(O)cccc2OC)C1 ZINC000840975161 639607099 /nfs/dbraw/zinc/60/70/99/639607099.db2.gz MBXBGVJKWMCUTR-INIZCTEOSA-N 1 1 293.363 2.176 20 10 CECDMO C[N@@H+](CCC[NH3+])Cc1ccc(N2CCCCC2)cc1 ZINC000841002901 639614005 /nfs/dbraw/zinc/61/40/05/639614005.db2.gz HUZOLBCDYFGQPF-UHFFFAOYSA-N 1 1 261.413 2.458 20 10 CECDMO c1cc(N2CCCC2)ccc1CNC1CC[NH2+]CC1 ZINC000841026884 639620391 /nfs/dbraw/zinc/62/03/91/639620391.db2.gz USXNDRLRNORMTN-UHFFFAOYSA-N 1 1 259.397 2.128 20 10 CECDMO Oc1c(F)cc(Cl)cc1CNC[C@@H]1CCC[NH2+]1 ZINC000841035669 639627689 /nfs/dbraw/zinc/62/76/89/639627689.db2.gz JOUZKZSOZRCADJ-JTQLQIEISA-N 1 1 258.724 2.026 20 10 CECDMO [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000841035669 639627697 /nfs/dbraw/zinc/62/76/97/639627697.db2.gz JOUZKZSOZRCADJ-JTQLQIEISA-N 1 1 258.724 2.026 20 10 CECDMO CC1(C[NH2+]Cc2cc(F)ccc2[O-])CC[NH2+]CC1 ZINC000841056146 639634103 /nfs/dbraw/zinc/63/41/03/639634103.db2.gz CWUILGYREPZQKL-UHFFFAOYSA-N 1 1 252.333 2.011 20 10 CECDMO [O-]c1ccccc1C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000841087121 639651830 /nfs/dbraw/zinc/65/18/30/639651830.db2.gz NBADVLLGPVCQSA-DZGCQCFKSA-N 1 1 260.381 2.356 20 10 CECDMO [O-]c1ccccc1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000841087121 639651834 /nfs/dbraw/zinc/65/18/34/639651834.db2.gz NBADVLLGPVCQSA-DZGCQCFKSA-N 1 1 260.381 2.356 20 10 CECDMO C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])C[C@@]1(C)C[NH3+] ZINC000841090572 639652875 /nfs/dbraw/zinc/65/28/75/639652875.db2.gz LBWDTDYKRLAMSR-QMTHXVAHSA-N 1 1 268.788 2.462 20 10 CECDMO Clc1ccc(C[NH2+]Cc2ccc3c(c2)CCO3)nn1 ZINC000876995221 650524098 /nfs/dbraw/zinc/52/40/98/650524098.db2.gz CAWOBHWZMSHTCQ-UHFFFAOYSA-N 1 1 275.739 2.355 20 10 CECDMO Oc1cccc2c1[C@@H]([NH2+]C[C@H]1CCN(C3CC3)C1)CC2 ZINC000313395032 640207432 /nfs/dbraw/zinc/20/74/32/640207432.db2.gz SOJYKKGPVQKIER-DOMZBBRYSA-N 1 1 272.392 2.453 20 10 CECDMO C[C@@H]1CN(Cc2c(O)ccc(Cl)c2F)C[C@@H](C)[NH2+]1 ZINC000843049017 640253488 /nfs/dbraw/zinc/25/34/88/640253488.db2.gz DKHRANRYGCFDCK-RKDXNWHRSA-N 1 1 272.751 2.367 20 10 CECDMO C[C@@H]1CN(Cc2c(O)ccc(Cl)c2F)C[C@H](C)[NH2+]1 ZINC000843049013 640253560 /nfs/dbraw/zinc/25/35/60/640253560.db2.gz DKHRANRYGCFDCK-DTORHVGOSA-N 1 1 272.751 2.367 20 10 CECDMO C[C@H]1C[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC[C@@H]1[NH3+] ZINC000843053028 640255927 /nfs/dbraw/zinc/25/59/27/640255927.db2.gz XXVOGGGRBZAOAD-KWQFWETISA-N 1 1 299.758 2.123 20 10 CECDMO C[C@H]1C[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC[C@@H]1[NH3+] ZINC000843053028 640255931 /nfs/dbraw/zinc/25/59/31/640255931.db2.gz XXVOGGGRBZAOAD-KWQFWETISA-N 1 1 299.758 2.123 20 10 CECDMO [O-]c1c(Cl)cccc1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000843120541 640289596 /nfs/dbraw/zinc/28/95/96/640289596.db2.gz PBAYYRJCZIBYTP-CQSZACIVSA-N 1 1 266.772 2.231 20 10 CECDMO COc1cccc(C[N@H+]2CCO[C@@]3(CCSC3)C2)c1O ZINC000843418384 640421535 /nfs/dbraw/zinc/42/15/35/640421535.db2.gz SMYOFUNBNRASQO-HNNXBMFYSA-N 1 1 295.404 2.109 20 10 CECDMO CCC[N@@H+](Cc1cccc(OC)c1O)[C@@H]1CCN(C)C1 ZINC000843423071 640424624 /nfs/dbraw/zinc/42/46/24/640424624.db2.gz VGTYMSCCMLGVKU-CQSZACIVSA-N 1 1 278.396 2.317 20 10 CECDMO CCN(CC)c1ccc(C[N@@H+](C)CCNC(C)=O)cc1F ZINC000843427469 640426546 /nfs/dbraw/zinc/42/65/46/640426546.db2.gz CDUIHIMFZFOMAA-UHFFFAOYSA-N 1 1 295.402 2.240 20 10 CECDMO COCCN(C)CCC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000153745618 640630670 /nfs/dbraw/zinc/63/06/70/640630670.db2.gz BLVWCJJEVIJIKB-OAHLLOKOSA-N 1 1 293.455 2.372 20 10 CECDMO C[C@H]1C[N@@H+](Cc2c(O)ccc3ccncc32)CCO1 ZINC000022005050 650596031 /nfs/dbraw/zinc/59/60/31/650596031.db2.gz XSDYIVHJWQYXQH-NSHDSACASA-N 1 1 258.321 2.161 20 10 CECDMO CCN(CC)C(=O)C[N@@H+](C)Cc1cc(C)cc(OC)c1O ZINC000916568160 640783506 /nfs/dbraw/zinc/78/35/06/640783506.db2.gz ITOGRCMVABJSEB-UHFFFAOYSA-N 1 1 294.395 2.009 20 10 CECDMO COCCCOCC[N@@H+](C)Cc1c(C)cccc1O ZINC000877173053 650610277 /nfs/dbraw/zinc/61/02/77/650610277.db2.gz XJMSZRPQKFKCGQ-UHFFFAOYSA-N 1 1 267.369 2.186 20 10 CECDMO COc1cccc([C@H](C)[NH2+]Cc2nnc(C(C)C)[nH]2)c1O ZINC000846170272 641211710 /nfs/dbraw/zinc/21/17/10/641211710.db2.gz NFPANZZHBQDHFW-JTQLQIEISA-N 1 1 290.367 2.493 20 10 CECDMO C[C@@H]([NH2+][C@H](CO)CCF)c1cc(F)cc(F)c1O ZINC000846208279 641221725 /nfs/dbraw/zinc/22/17/25/641221725.db2.gz HMNPJLREAHKUCR-APPZFPTMSA-N 1 1 263.259 2.042 20 10 CECDMO CCC[N@@H+](Cc1cccc(C)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000179574021 641363839 /nfs/dbraw/zinc/36/38/39/641363839.db2.gz ZTXHSCATOAMXOO-CQSZACIVSA-N 1 1 297.420 2.100 20 10 CECDMO OCCO[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000179574613 641364451 /nfs/dbraw/zinc/36/44/51/641364451.db2.gz HMYNIBDSSFRULX-CYBMUJFWSA-N 1 1 285.771 2.019 20 10 CECDMO CCN(C)c1ccc(C[N@@H+](C[C@@H](C)O)C2CC2)cc1 ZINC000847104678 641570614 /nfs/dbraw/zinc/57/06/14/641570614.db2.gz JEOOQZOPZIGLEZ-CYBMUJFWSA-N 1 1 262.397 2.488 20 10 CECDMO C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1nccn1C ZINC000182684071 641689075 /nfs/dbraw/zinc/68/90/75/641689075.db2.gz ALPCUGYUXDKPAO-NSHDSACASA-N 1 1 276.359 2.476 20 10 CECDMO COCCN1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000185329653 641965064 /nfs/dbraw/zinc/96/50/64/641965064.db2.gz JBGFPKGRTNXABS-GXTWGEPZSA-N 1 1 296.386 2.293 20 10 CECDMO CN(C)c1ccc(/C=C/C[NH2+]C2CC([NH+](C)C)C2)cc1 ZINC000848557124 642052637 /nfs/dbraw/zinc/05/26/37/642052637.db2.gz HOKYJFZYSRLEDY-AATRIKPKSA-N 1 1 273.424 2.448 20 10 CECDMO CN(C)c1ccc(/C=C/C[NH2+]C2CC(N(C)C)C2)cc1 ZINC000848557124 642052638 /nfs/dbraw/zinc/05/26/38/642052638.db2.gz HOKYJFZYSRLEDY-AATRIKPKSA-N 1 1 273.424 2.448 20 10 CECDMO CCc1cccc(C[N@H+]2CCSC[C@@H]2CCO)c1O ZINC000848889358 642173246 /nfs/dbraw/zinc/17/32/46/642173246.db2.gz IURUDIKEENQJAQ-AWEZNQCLSA-N 1 1 281.421 2.254 20 10 CECDMO CCc1cccc(C[N@H+]2CC[C@@](O)(C(F)(F)F)C2)c1O ZINC000848888237 642173777 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CC[C@@H]1C[N@@H+](Cc2ccc(C)cc2O)C[C@]2(CCOC2)O1 ZINC000877492571 650748699 /nfs/dbraw/zinc/74/86/99/650748699.db2.gz LZRMOCPCRMSNHI-WBVHZDCISA-N 1 1 291.391 2.471 20 10 CECDMO Cc1cccc(O)c1C[N@@H+]1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000877494288 650750636 /nfs/dbraw/zinc/75/06/36/650750636.db2.gz JIMNXBDMZQKYKV-YOEHRIQHSA-N 1 1 291.391 2.471 20 10 CECDMO Cc1cccc(O)c1C[N@H+](CCN(C)C)C[C@@H]1CCCO1 ZINC000877525237 650766250 /nfs/dbraw/zinc/76/62/50/650766250.db2.gz WESBRJDYBFODNN-HNNXBMFYSA-N 1 1 292.423 2.243 20 10 CECDMO Cc1cccc(O)c1C[N@@H+](CCN(C)C)C[C@@H]1CCCO1 ZINC000877525237 650766252 /nfs/dbraw/zinc/76/62/52/650766252.db2.gz WESBRJDYBFODNN-HNNXBMFYSA-N 1 1 292.423 2.243 20 10 CECDMO Cc1cccc(O)c1C[N@H+]1CCCN(CC(F)F)CC1 ZINC000877529189 650769454 /nfs/dbraw/zinc/76/94/54/650769454.db2.gz VPAZYJHMBKGQRP-UHFFFAOYSA-N 1 1 284.350 2.473 20 10 CECDMO COCCC[N@H+](C)CCNCc1ccc2c(c1)CCCO2 ZINC000921779481 642609676 /nfs/dbraw/zinc/60/96/76/642609676.db2.gz IQJIXHAUJLPXNQ-UHFFFAOYSA-N 1 1 292.423 2.070 20 10 CECDMO COCCC[N@@H+](C)CCNCc1ccc2c(c1)CCCO2 ZINC000921779481 642609679 /nfs/dbraw/zinc/60/96/79/642609679.db2.gz IQJIXHAUJLPXNQ-UHFFFAOYSA-N 1 1 292.423 2.070 20 10 CECDMO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)C[C@@H]1CNC(=O)C1 ZINC000851732317 643132426 /nfs/dbraw/zinc/13/24/26/643132426.db2.gz NWMAGQXUMYGSJD-HNNXBMFYSA-N 1 1 289.423 2.099 20 10 CECDMO C[C@H]([NH2+]C/C=C\c1ccc(N(C)C)cc1)c1cn(C)nn1 ZINC000922634601 643173487 /nfs/dbraw/zinc/17/34/87/643173487.db2.gz JRZRGEZDWDDZRZ-SZZPACECSA-N 1 1 285.395 2.245 20 10 CECDMO Cc1cc(O)c(C[NH2+][C@H](C)c2cn(C)nn2)c(Cl)c1 ZINC000922635837 643174642 /nfs/dbraw/zinc/17/46/42/643174642.db2.gz XWOCMEQWGITEOM-SECBINFHSA-N 1 1 280.759 2.333 20 10 CECDMO C[N@@H+](CC[C@@H]1COC(C)(C)O1)Cc1ccccc1O ZINC000851841886 643187355 /nfs/dbraw/zinc/18/73/55/643187355.db2.gz ZBPZSPBRXKOPSQ-CYBMUJFWSA-N 1 1 265.353 2.366 20 10 CECDMO COC(=O)[C@@]1(C)C[N@@H+](Cc2cc(F)ccc2O)C[C@@H]1C ZINC000877666942 650841727 /nfs/dbraw/zinc/84/17/27/650841727.db2.gz 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C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000126796786 650946345 /nfs/dbraw/zinc/94/63/45/650946345.db2.gz XRVWDFNPFVPVKY-VHSXEESVSA-N 1 1 254.761 2.215 20 10 CECDMO COc1cccc(O)c1C[N@H+](C)Cc1ccccn1 ZINC000757888974 644853620 /nfs/dbraw/zinc/85/36/20/644853620.db2.gz CHFBLQIJQJNGRZ-UHFFFAOYSA-N 1 1 258.321 2.428 20 10 CECDMO COc1cccc(O)c1C[N@@H+](C)Cc1ccccn1 ZINC000757888974 644853627 /nfs/dbraw/zinc/85/36/27/644853627.db2.gz CHFBLQIJQJNGRZ-UHFFFAOYSA-N 1 1 258.321 2.428 20 10 CECDMO [NH3+][C@@]12CCC[C@@H]1CN(Cc1cc(Cl)cc(F)c1O)C2 ZINC000857225950 644858285 /nfs/dbraw/zinc/85/82/85/644858285.db2.gz BOTLBDKHQQBFFF-QMTHXVAHSA-N 1 1 284.762 2.498 20 10 CECDMO CN(C)c1cc(F)c(CNCC2([NH+](C)C)CC2)cc1F ZINC000858178827 645081842 /nfs/dbraw/zinc/08/18/42/645081842.db2.gz APKMGMAHRQYSQQ-UHFFFAOYSA-N 1 1 283.366 2.215 20 10 CECDMO C[C@@H]([NH2+]CCN(C)CC(F)F)c1ccc(F)cc1O ZINC000858596101 645216211 /nfs/dbraw/zinc/21/62/11/645216211.db2.gz AZQSCNUGBBTCBA-SECBINFHSA-N 1 1 276.302 2.379 20 10 CECDMO CN(C)c1ccc(C[N@@H+](C)CC2(O)CCC2)cc1F ZINC000761219334 645258533 /nfs/dbraw/zinc/25/85/33/645258533.db2.gz NMVBKYRRGJOWMQ-UHFFFAOYSA-N 1 1 266.360 2.239 20 10 CECDMO Cc1cc(C)c(O)c(C[N@H+]2CCC[C@@H](S(C)(=O)=O)C2)c1 ZINC000763381870 645540347 /nfs/dbraw/zinc/54/03/47/645540347.db2.gz JEAJSAPLAOLLJI-CQSZACIVSA-N 1 1 297.420 2.018 20 10 CECDMO COc1ccc2c(c1)CCCCN2CC[NH+]1CCOCC1 ZINC000766269368 645865959 /nfs/dbraw/zinc/86/59/59/645865959.db2.gz JBHKMKMROHQYIW-UHFFFAOYSA-N 1 1 290.407 2.170 20 10 CECDMO CCOc1ccc(CN2CC[NH+](C3CC3)CC2)c(O)c1 ZINC000768244421 646101081 /nfs/dbraw/zinc/10/10/81/646101081.db2.gz KUHGHXPYQXVFDQ-UHFFFAOYSA-N 1 1 276.380 2.071 20 10 CECDMO CCOc1ccc(C[N@@H+](C)C[C@@H]2CCCO2)c(O)c1 ZINC000768249267 646101293 /nfs/dbraw/zinc/10/12/93/646101293.db2.gz PIZISMGKHIRMPH-AWEZNQCLSA-N 1 1 265.353 2.402 20 10 CECDMO CC(C)[C@@H]1CCC[N@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768441716 646122707 /nfs/dbraw/zinc/12/27/07/646122707.db2.gz GPDILEMOADUJQJ-ZFWWWQNUSA-N 1 1 277.364 2.438 20 10 CECDMO C[N@@H+](Cc1cc2c(cc1O)OC[C@H]2O)C1CCCC1 ZINC000768442046 646122720 /nfs/dbraw/zinc/12/27/20/646122720.db2.gz NZQYPLIFIQUPPN-CQSZACIVSA-N 1 1 263.337 2.192 20 10 CECDMO C[N@@H+](CCC1CC1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768462157 646126672 /nfs/dbraw/zinc/12/66/72/646126672.db2.gz KFPMGVCROBLNJH-CQSZACIVSA-N 1 1 263.337 2.050 20 10 CECDMO CC1(C)CC[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768465628 646127811 /nfs/dbraw/zinc/12/78/11/646127811.db2.gz JNUHLGVUQQMBGD-ZDUSSCGKSA-N 1 1 263.337 2.050 20 10 CECDMO COc1cccc(O)c1C[N@@H+]1CCC[C@@H](OC)C1 ZINC000768755169 646159059 /nfs/dbraw/zinc/15/90/59/646159059.db2.gz VXQBCIQCPUVDPV-LLVKDONJSA-N 1 1 251.326 2.012 20 10 CECDMO CCOc1ccc(O)c(CN2CC[N@@H+](CC)[C@H](C)C2)c1 ZINC000769381126 646256490 /nfs/dbraw/zinc/25/64/90/646256490.db2.gz LIWVOUGWKGNEJI-CYBMUJFWSA-N 1 1 278.396 2.317 20 10 CECDMO CCOc1ccc(O)c(C[N@@H+]2CCN(CC)[C@H](C)C2)c1 ZINC000769381126 646256492 /nfs/dbraw/zinc/25/64/92/646256492.db2.gz LIWVOUGWKGNEJI-CYBMUJFWSA-N 1 1 278.396 2.317 20 10 CECDMO CCOc1ccc(O)c(C[N@H+]2CCN(CC)[C@H](C)C2)c1 ZINC000769381126 646256498 /nfs/dbraw/zinc/25/64/98/646256498.db2.gz LIWVOUGWKGNEJI-CYBMUJFWSA-N 1 1 278.396 2.317 20 10 CECDMO CCC[C@@H]1C[N@H+](Cc2c(O)cccc2OC)CCO1 ZINC000769451186 646268554 /nfs/dbraw/zinc/26/85/54/646268554.db2.gz IZCCRUNMMGKHDS-GFCCVEGCSA-N 1 1 265.353 2.402 20 10 CECDMO CCC[C@@H]1C[N@@H+](Cc2c(O)cccc2OC)CCO1 ZINC000769451186 646268559 /nfs/dbraw/zinc/26/85/59/646268559.db2.gz IZCCRUNMMGKHDS-GFCCVEGCSA-N 1 1 265.353 2.402 20 10 CECDMO CC[N@@H+](CC(=O)NCc1ccc2cccnc2c1O)C1CC1 ZINC000862027380 646326818 /nfs/dbraw/zinc/32/68/18/646326818.db2.gz QAKBVLNEDKILFA-UHFFFAOYSA-N 1 1 299.374 2.041 20 10 CECDMO CCOc1ccc(C[N@@H+](CCO)[C@H](C)CC)c(O)c1 ZINC000862388033 646431263 /nfs/dbraw/zinc/43/12/63/646431263.db2.gz UVXYNTQOKDNNAL-GFCCVEGCSA-N 1 1 267.369 2.384 20 10 CECDMO C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1cc(F)c(N(C)C)cc1F ZINC000862397119 646437102 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/nfs/dbraw/zinc/09/95/18/646099518.db2.gz WLVVQIUYECNGLJ-ZDUSSCGKSA-N 1 1 265.353 2.402 20 10 CECDMO COc1cccc(O)c1C[N@@H+](C)C[C@@H]1CCCO1 ZINC000768247594 646101117 /nfs/dbraw/zinc/10/11/17/646101117.db2.gz CAHNUCRJZMSZBU-NSHDSACASA-N 1 1 251.326 2.012 20 10 CECDMO CC[N@H+](Cc1cc2c(cc1O)OC[C@@H]2O)CC(C)C ZINC000768438534 646122342 /nfs/dbraw/zinc/12/23/42/646122342.db2.gz BHCUMIAITFTXGE-AWEZNQCLSA-N 1 1 265.353 2.296 20 10 CECDMO CC(C)[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768464764 646127723 /nfs/dbraw/zinc/12/77/23/646127723.db2.gz UXQWNPPSCRWJPK-IAQYHMDHSA-N 1 1 277.364 2.296 20 10 CECDMO COc1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)c(O)cc1C ZINC000768466232 646128472 /nfs/dbraw/zinc/12/84/72/646128472.db2.gz PVSNMPWPGSGVGL-BETUJISGSA-N 1 1 263.337 2.072 20 10 CECDMO COc1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c(O)cc1C ZINC000768466232 646128474 /nfs/dbraw/zinc/12/84/74/646128474.db2.gz PVSNMPWPGSGVGL-BETUJISGSA-N 1 1 263.337 2.072 20 10 CECDMO CO[C@H]1CC[N@@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000768464449 646128630 /nfs/dbraw/zinc/12/86/30/646128630.db2.gz RUQOQPCOMIQUBH-HNNXBMFYSA-N 1 1 261.365 2.492 20 10 CECDMO CC[C@@H]1C[N@@H+](Cc2c(O)cccc2OC)C[C@@H](C)O1 ZINC000769104682 646205949 /nfs/dbraw/zinc/20/59/49/646205949.db2.gz JFXRILSZGVRNPA-VXGBXAGGSA-N 1 1 265.353 2.400 20 10 CECDMO CC1(C)CN(Cc2cccc(Br)c2O)CC[NH2+]1 ZINC000769191871 646222602 /nfs/dbraw/zinc/22/26/02/646222602.db2.gz REXJDQAJTMSDBD-UHFFFAOYSA-N 1 1 299.212 2.339 20 10 CECDMO COC(=O)C(C)(C)[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000769304720 646240680 /nfs/dbraw/zinc/24/06/80/646240680.db2.gz CENULEPRPCSZEM-UHFFFAOYSA-N 1 1 264.369 2.136 20 10 CECDMO COC(=O)C(C)(C)[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000769304720 646240682 /nfs/dbraw/zinc/24/06/82/646240682.db2.gz CENULEPRPCSZEM-UHFFFAOYSA-N 1 1 264.369 2.136 20 10 CECDMO CCOc1cccc(C[N@@H+](C)[C@@H]2CCN(C3CC3)C2)c1O ZINC000769327255 646245769 /nfs/dbraw/zinc/24/57/69/646245769.db2.gz UUXJAAJEWCFGMZ-OAHLLOKOSA-N 1 1 290.407 2.459 20 10 CECDMO CCOc1cccc(CN(C)[C@@H]2CC[N@@H+](C3CC3)C2)c1O ZINC000769327255 646245774 /nfs/dbraw/zinc/24/57/74/646245774.db2.gz UUXJAAJEWCFGMZ-OAHLLOKOSA-N 1 1 290.407 2.459 20 10 CECDMO CCOc1cccc(CN(C)[C@@H]2CC[N@H+](C3CC3)C2)c1O ZINC000769327255 646245776 /nfs/dbraw/zinc/24/57/76/646245776.db2.gz UUXJAAJEWCFGMZ-OAHLLOKOSA-N 1 1 290.407 2.459 20 10 CECDMO CCOc1ccc(C[N@@H+](C)CCn2cccn2)c(O)c1 ZINC000769404823 646261403 /nfs/dbraw/zinc/26/14/03/646261403.db2.gz SAKFWHFNAJXJOC-UHFFFAOYSA-N 1 1 275.352 2.119 20 10 CECDMO CC(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000770510102 646400149 /nfs/dbraw/zinc/40/01/49/646400149.db2.gz JEPUVWIIYZFGMI-CQSZACIVSA-N 1 1 276.380 2.129 20 10 CECDMO CN(C)c1cc(F)c(C[N@@H+]2C[C@H](O)C(C)(C)C2)cc1F ZINC000862352101 646406272 /nfs/dbraw/zinc/40/62/72/646406272.db2.gz XTKAKDXEOMTNBD-AWEZNQCLSA-N 1 1 284.350 2.234 20 10 CECDMO CN(C)c1cc(F)c(C[N@H+]2C[C@H](O)C(C)(C)C2)cc1F ZINC000862352101 646406282 /nfs/dbraw/zinc/40/62/82/646406282.db2.gz XTKAKDXEOMTNBD-AWEZNQCLSA-N 1 1 284.350 2.234 20 10 CECDMO CC[C@@H](CO)[N@@H+](C)Cc1cc(F)c(N(C)C)cc1F ZINC000862382688 646428038 /nfs/dbraw/zinc/42/80/38/646428038.db2.gz WRLUHDZOKLCPSY-NSHDSACASA-N 1 1 272.339 2.234 20 10 CECDMO CC[C@@H](C)[N@@H+](CCO)Cc1ccc(N2CCOCC2)cc1 ZINC000862388261 646431219 /nfs/dbraw/zinc/43/12/19/646431219.db2.gz YPYYVUKWPIIELI-OAHLLOKOSA-N 1 1 292.423 2.116 20 10 CECDMO CN(C)c1ccc(C[N@@H+](C)Cc2cnc(N)s2)cc1 ZINC000771934890 646573132 /nfs/dbraw/zinc/57/31/32/646573132.db2.gz GBVXKGGQSIYJFN-UHFFFAOYSA-N 1 1 276.409 2.423 20 10 CECDMO COc1cc(C[N@@H+](C)CC2(C)COC2)c(O)cc1C ZINC000863295827 646698218 /nfs/dbraw/zinc/69/82/18/646698218.db2.gz FZNXYKOYFWXPDR-UHFFFAOYSA-N 1 1 265.353 2.178 20 10 CECDMO CCOc1cccc(C[NH2+][C@H]2CC[C@H](C)NC2)c1O ZINC000863484950 646740574 /nfs/dbraw/zinc/74/05/74/646740574.db2.gz QNNIHDOOAINSTN-AAEUAGOBSA-N 1 1 264.369 2.021 20 10 CECDMO CCN(C)c1ccc(C[N@H+]2CCCC[C@@H]2CC(N)=O)cc1 ZINC000773748598 646772058 /nfs/dbraw/zinc/77/20/58/646772058.db2.gz OWDXCBQZZHSFNU-MRXNPFEDSA-N 1 1 289.423 2.373 20 10 CECDMO CCN(C)c1ccc(C[N@@H+](C)CCCC(=O)NC)cc1 ZINC000773791378 646775993 /nfs/dbraw/zinc/77/59/93/646775993.db2.gz KPMHZGSZCTWHCJ-UHFFFAOYSA-N 1 1 277.412 2.101 20 10 CECDMO CCN(C)c1ccc(C[N@@H+](C)Cc2cn[nH]c2)cc1 ZINC000773785619 646776048 /nfs/dbraw/zinc/77/60/48/646776048.db2.gz MLMGITKDPWRJBQ-UHFFFAOYSA-N 1 1 258.369 2.498 20 10 CECDMO CCN(C)c1ccc(C[N@H+]2CCCC3(C2)OCCO3)cc1 ZINC000773792671 646776208 /nfs/dbraw/zinc/77/62/08/646776208.db2.gz LMPUWGMOKKYZBJ-UHFFFAOYSA-N 1 1 290.407 2.482 20 10 CECDMO CCN(C)c1ccc(C[N@H+]2CC[C@@H](C)[C@H]2CO)cc1 ZINC000773887134 646784774 /nfs/dbraw/zinc/78/47/74/646784774.db2.gz BJBAGRDBZWTGLL-CZUORRHYSA-N 1 1 262.397 2.345 20 10 CECDMO COc1c(O)c(C[NH2+]C[C@@H]2CCCS2)ccc1[N+](=O)[O-] ZINC000775031370 646917893 /nfs/dbraw/zinc/91/78/93/646917893.db2.gz ARSIYEKOOFOAPA-JTQLQIEISA-N 1 1 298.364 2.294 20 10 CECDMO CC(C)[N@H+](C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775638276 646975307 /nfs/dbraw/zinc/97/53/07/646975307.db2.gz HDLVMSFJDMTPOA-UHFFFAOYSA-N 1 1 261.413 2.279 20 10 CECDMO CC(C)[N@@H+](C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775638276 646975309 /nfs/dbraw/zinc/97/53/09/646975309.db2.gz HDLVMSFJDMTPOA-UHFFFAOYSA-N 1 1 261.413 2.279 20 10 CECDMO Cc1ccnc(NC(=O)C[N@@H+](C)Cc2cccc(C)c2O)c1 ZINC000775670388 646978680 /nfs/dbraw/zinc/97/86/80/646978680.db2.gz YELAIJWXIQIXGW-UHFFFAOYSA-N 1 1 299.374 2.475 20 10 CECDMO Cc1ccnc(NC(=O)C[N@H+](C)Cc2cccc(C)c2O)c1 ZINC000775670388 646978682 /nfs/dbraw/zinc/97/86/82/646978682.db2.gz YELAIJWXIQIXGW-UHFFFAOYSA-N 1 1 299.374 2.475 20 10 CECDMO COc1cc(O)c(C[N@@H+](C[C@@H](C)O)C(C)C)cc1OC ZINC000775682355 646980284 /nfs/dbraw/zinc/98/02/84/646980284.db2.gz WNXTXIPAIISAIV-LLVKDONJSA-N 1 1 283.368 2.001 20 10 CECDMO CC[N@H+]1C[C@@H](C)N(Cc2cc(OC)ccc2O)C[C@@H]1C ZINC000775711879 646983209 /nfs/dbraw/zinc/98/32/09/646983209.db2.gz JOPFFTROXUFGCX-QWHCGFSZSA-N 1 1 278.396 2.315 20 10 CECDMO CCN1C[C@@H](C)[N@H+](Cc2cc(OC)ccc2O)C[C@@H]1C ZINC000775711879 646983214 /nfs/dbraw/zinc/98/32/14/646983214.db2.gz JOPFFTROXUFGCX-QWHCGFSZSA-N 1 1 278.396 2.315 20 10 CECDMO CCN1C[C@@H](C)[N@@H+](Cc2cc(OC)ccc2O)C[C@@H]1C ZINC000775711879 646983218 /nfs/dbraw/zinc/98/32/18/646983218.db2.gz JOPFFTROXUFGCX-QWHCGFSZSA-N 1 1 278.396 2.315 20 10 CECDMO Cc1cccc(C[N@H+]2CCSC[C@@H]2CCO)c1O ZINC000775736934 646986112 /nfs/dbraw/zinc/98/61/12/646986112.db2.gz HBGBQQYOTVYQTP-ZDUSSCGKSA-N 1 1 267.394 2.000 20 10 CECDMO CN(Cc1cc(F)ccc1O)[C@H]1CC[N@H+](C2CC2)C1 ZINC000779009908 647282397 /nfs/dbraw/zinc/28/23/97/647282397.db2.gz GGPQZBZUOCHOBS-AWEZNQCLSA-N 1 1 264.344 2.200 20 10 CECDMO C[N@H+](Cc1cc(F)ccc1O)[C@H]1CCN(C2CC2)C1 ZINC000779009908 647282400 /nfs/dbraw/zinc/28/24/00/647282400.db2.gz GGPQZBZUOCHOBS-AWEZNQCLSA-N 1 1 264.344 2.200 20 10 CECDMO C[N@@H+](Cc1cc(F)ccc1O)[C@H]1CCN(C2CC2)C1 ZINC000779009908 647282404 /nfs/dbraw/zinc/28/24/04/647282404.db2.gz GGPQZBZUOCHOBS-AWEZNQCLSA-N 1 1 264.344 2.200 20 10 CECDMO CCOc1cccc(C[N@H+]2CCC[C@@H]2CCO)c1O ZINC000779203147 647297924 /nfs/dbraw/zinc/29/79/24/647297924.db2.gz ZSIJFNOIASWLRP-CYBMUJFWSA-N 1 1 265.353 2.138 20 10 CECDMO Cc1cc(CO)cc(N2Cc3cccc(O)c3C2)[nH+]1 ZINC000866117292 647617226 /nfs/dbraw/zinc/61/72/26/647617226.db2.gz KCMZIWYBEDJEGG-UHFFFAOYSA-N 1 1 256.305 2.108 20 10 CECDMO COc1cccc(C[N@H+]2CC[C@H](C)C[C@H]2[C@@H](C)O)c1O ZINC000785988845 647975470 /nfs/dbraw/zinc/97/54/70/647975470.db2.gz PLKQVJOIMRGUDQ-SCRDCRAPSA-N 1 1 279.380 2.382 20 10 CECDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)N[C@H](C)c1ccccc1O ZINC000868217803 648074623 /nfs/dbraw/zinc/07/46/23/648074623.db2.gz YFVDKWFDSFCJHJ-CHWSQXEVSA-N 1 1 293.411 2.483 20 10 CECDMO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1c(O)cccc1Cl ZINC000787423984 648108473 /nfs/dbraw/zinc/10/84/73/648108473.db2.gz OPKQROCPRMGDAK-RULNRJAQSA-N 1 1 294.782 2.131 20 10 CECDMO C[C@H](NC(=O)NC[C@@H]1CCC[N@@H+](C)C1)c1ccccc1O ZINC000868367157 648109504 /nfs/dbraw/zinc/10/95/04/648109504.db2.gz GBXPGMGWTPCFKF-STQMWFEESA-N 1 1 291.395 2.094 20 10 CECDMO CCCn1ncnc1C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000790325168 648408080 /nfs/dbraw/zinc/40/80/80/648408080.db2.gz PCBYRNRJXHGBDF-LLVKDONJSA-N 1 1 290.367 2.253 20 10 CECDMO CCOc1ccc(O)c(C[N@@H+](C)Cc2cnn(C)c2C)c1 ZINC000790937152 648461965 /nfs/dbraw/zinc/46/19/65/648461965.db2.gz KJYQCGTZZBUTSQ-UHFFFAOYSA-N 1 1 289.379 2.465 20 10 CECDMO C[C@](CO)([NH2+]Cc1c(O)ccc(Cl)c1F)C1CC1 ZINC000790974288 648467233 /nfs/dbraw/zinc/46/72/33/648467233.db2.gz RAUARFNRCOJGIX-CYBMUJFWSA-N 1 1 273.735 2.435 20 10 CECDMO CC(C)[N@H+](CCO)Cc1c(O)ccc(Cl)c1F ZINC000792156856 648616201 /nfs/dbraw/zinc/61/62/01/648616201.db2.gz OSCZXZRPVQUMNS-UHFFFAOYSA-N 1 1 261.724 2.387 20 10 CECDMO CC(C)[N@@H+](CCO)Cc1c(O)ccc(Cl)c1F ZINC000792156856 648616203 /nfs/dbraw/zinc/61/62/03/648616203.db2.gz OSCZXZRPVQUMNS-UHFFFAOYSA-N 1 1 261.724 2.387 20 10 CECDMO COc1cccc(O)c1C[N@H+]1CCC[C@](C)(O)CC1 ZINC000793245915 648728919 /nfs/dbraw/zinc/72/89/19/648728919.db2.gz DAWRMCQTXGWQQM-HNNXBMFYSA-N 1 1 265.353 2.138 20 10 CECDMO C[N@H+](CCN1CCCC1=O)Cc1c(O)cccc1Cl ZINC000124199490 649451072 /nfs/dbraw/zinc/45/10/72/649451072.db2.gz IMHKMLUZRUYBDS-UHFFFAOYSA-N 1 1 282.771 2.100 20 10 CECDMO C[N@@H+](CCN1CCCC1=O)Cc1c(O)cccc1Cl ZINC000124199490 649451075 /nfs/dbraw/zinc/45/10/75/649451075.db2.gz IMHKMLUZRUYBDS-UHFFFAOYSA-N 1 1 282.771 2.100 20 10 CECDMO CCCOc1ccc(C[NH2+]C[C@@](C)(O)CN(C)C)cc1C ZINC000873094420 649557879 /nfs/dbraw/zinc/55/78/79/649557879.db2.gz IFORINOWPCEWQK-QGZVFWFLSA-N 1 1 294.439 2.186 20 10 CECDMO CCCOc1ccc(C[NH2+]Cc2cn(C)nn2)cc1C ZINC000873103158 649559301 /nfs/dbraw/zinc/55/93/01/649559301.db2.gz XYNUULBBCBDQPG-UHFFFAOYSA-N 1 1 274.368 2.202 20 10 CECDMO COCc1noc([C@H](C)[NH2+][C@H](C)c2ccccc2O)n1 ZINC000879649388 651335247 /nfs/dbraw/zinc/33/52/47/651335247.db2.gz PPOWLVDHORDDDX-ZJUUUORDSA-N 1 1 277.324 2.333 20 10 CECDMO CC(C)Cn1ncnc1C[NH2+][C@@H](C)c1ccccc1O ZINC000879650559 651335594 /nfs/dbraw/zinc/33/55/94/651335594.db2.gz HEAHVHGFZHONLR-LBPRGKRZSA-N 1 1 274.368 2.491 20 10 CECDMO [O-]c1c(Br)cccc1C[N@@H+]1CCC[C@@H](O)C1 ZINC000127988185 651347536 /nfs/dbraw/zinc/34/75/36/651347536.db2.gz LRZXUHHRIQUTRA-SNVBAGLBSA-N 1 1 286.169 2.111 20 10 CECDMO Oc1c(Br)cccc1C[N@@H+]1CCC[C@@H](O)C1 ZINC000127988185 651347539 /nfs/dbraw/zinc/34/75/39/651347539.db2.gz LRZXUHHRIQUTRA-SNVBAGLBSA-N 1 1 286.169 2.111 20 10 CECDMO CCOc1cccc(CN(C)C[C@@H]2CCC[N@H+]2C)c1O ZINC000211723288 651832262 /nfs/dbraw/zinc/83/22/62/651832262.db2.gz QVAQCALGBVVIKK-AWEZNQCLSA-N 1 1 278.396 2.317 20 10 CECDMO CCOc1cccc(C[N@H+](C)C[C@@H]2CCCN2C)c1O ZINC000211723288 651832264 /nfs/dbraw/zinc/83/22/64/651832264.db2.gz QVAQCALGBVVIKK-AWEZNQCLSA-N 1 1 278.396 2.317 20 10 CECDMO CCOc1cccc(C[N@@H+](C)C[C@@H]2CCCN2C)c1O ZINC000211723288 651832270 /nfs/dbraw/zinc/83/22/70/651832270.db2.gz QVAQCALGBVVIKK-AWEZNQCLSA-N 1 1 278.396 2.317 20 10 CECDMO Cc1ccc([C@H](O)C[NH2+]Cc2cc(F)cc(F)c2O)o1 ZINC000883016963 652326803 /nfs/dbraw/zinc/32/68/03/652326803.db2.gz SLKXBRJRXJDFLW-GFCCVEGCSA-N 1 1 283.274 2.395 20 10 CECDMO CC1(C)COCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000130878477 652350649 /nfs/dbraw/zinc/35/06/49/652350649.db2.gz SZFBLJWYZWDYIT-UHFFFAOYSA-N 1 1 290.407 2.134 20 10 CECDMO CC(C)(C)N1CC[C@H]([NH2+]Cc2cc(F)cc(F)c2O)C1=O ZINC000883152304 652381258 /nfs/dbraw/zinc/38/12/58/652381258.db2.gz QVXBCDSZISLYQX-LBPRGKRZSA-N 1 1 298.333 2.159 20 10 CECDMO C[C@H]([NH2+][C@H]1CC(=O)N(CC2CC2)C1)c1ccc(F)cc1O ZINC000883394692 652454276 /nfs/dbraw/zinc/45/42/76/652454276.db2.gz FOVGDMOKZAMAHP-GWCFXTLKSA-N 1 1 292.354 2.193 20 10 CECDMO CCOc1cccc(C[N@H+]2CCOC[C@@H]2CC)c1O ZINC000132346772 652514797 /nfs/dbraw/zinc/51/47/97/652514797.db2.gz RENUKPLDJDRUKI-ZDUSSCGKSA-N 1 1 265.353 2.402 20 10 CECDMO CCOc1cccc(C[N@H+]2CCOC[C@H]2CC)c1O ZINC000132346557 652514811 /nfs/dbraw/zinc/51/48/11/652514811.db2.gz RENUKPLDJDRUKI-CYBMUJFWSA-N 1 1 265.353 2.402 20 10 CECDMO Nc1cc(Cl)cc(NCCc2cc(O)c(O)cc2O)[nH+]1 ZINC001168005829 805659731 /nfs/dbraw/zinc/65/97/31/805659731.db2.gz GQUQDIAYQUFEEL-UHFFFAOYSA-N 1 1 295.726 2.089 20 10 CECDMO Oc1cc(F)c(F)cc1CN1CC[N@H+]2CCCC[C@H]2C1 ZINC001142520757 806614446 /nfs/dbraw/zinc/61/44/46/806614446.db2.gz PIIMIILEGNQSAD-LBPRGKRZSA-N 1 1 282.334 2.341 20 10 CECDMO COC(=O)[C@H]1C[N@H+](Cc2cc(F)c(F)cc2O)CC12CC2 ZINC001142534242 806623632 /nfs/dbraw/zinc/62/36/32/806623632.db2.gz BBZCOTDNFSEEST-SNVBAGLBSA-N 1 1 297.301 2.055 20 10 CECDMO COC(=O)[C@H]1C[N@@H+](Cc2cc(F)c(F)cc2O)CC12CC2 ZINC001142534242 806623639 /nfs/dbraw/zinc/62/36/39/806623639.db2.gz BBZCOTDNFSEEST-SNVBAGLBSA-N 1 1 297.301 2.055 20 10 CECDMO COCCCC[N@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001209220357 802487937 /nfs/dbraw/zinc/48/79/37/802487937.db2.gz ZRJLVDALOFXVDO-UHFFFAOYSA-N 1 1 265.353 2.273 20 10 CECDMO COC(=O)[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2O)CC1 ZINC001140056256 802548808 /nfs/dbraw/zinc/54/88/08/802548808.db2.gz OHVATKINRACXSV-LLVKDONJSA-N 1 1 281.327 2.306 20 10 CECDMO CC[N@@H+](CCCC(=O)OC)Cc1cc(F)ccc1O ZINC001140057834 802549938 /nfs/dbraw/zinc/54/99/38/802549938.db2.gz PKBLZNGUZASHDP-UHFFFAOYSA-N 1 1 269.316 2.306 20 10 CECDMO COC(C[N@@H+](C)Cc1c(C)ccc(C)c1O)OC ZINC001140182365 802670475 /nfs/dbraw/zinc/67/04/75/802670475.db2.gz QRYCUFGZFNBELD-UHFFFAOYSA-N 1 1 253.342 2.060 20 10 CECDMO C[N@H+]1CCCN(Cc2c(O)cccc2Br)CC1 ZINC000707153814 802897664 /nfs/dbraw/zinc/89/76/64/802897664.db2.gz ADDLQCSTBKPMIX-UHFFFAOYSA-N 1 1 299.212 2.292 20 10 CECDMO COC(=O)[C@@H]1C[C@@H](C)C[N@@H+](Cc2cc(C)ccc2O)C1 ZINC001140623592 803247349 /nfs/dbraw/zinc/24/73/49/803247349.db2.gz XFLPYSCARHLOCR-TZMCWYRMSA-N 1 1 277.364 2.332 20 10 CECDMO Cc1c(O)ccc(C[N@H+]2CCCOC(C)(C)C2)c1O ZINC001140746259 803513696 /nfs/dbraw/zinc/51/36/96/803513696.db2.gz XJZBWRAJNVHVSO-UHFFFAOYSA-N 1 1 265.353 2.407 20 10 CECDMO CCc1cccc(C[N@H+]2CC[C@@H]3COC[C@H]3C2)c1O ZINC000690800025 803616946 /nfs/dbraw/zinc/61/69/46/803616946.db2.gz WORUMWIYSBTYKI-HUUCEWRRSA-N 1 1 261.365 2.423 20 10 CECDMO C[C@@H]([NH2+]CC[C@@H](O)C(F)F)c1ccc(F)cc1O ZINC000716662810 815139477 /nfs/dbraw/zinc/13/94/77/815139477.db2.gz ROOKOUDWUJGRDA-GMSGAONNSA-N 1 1 263.259 2.198 20 10 CECDMO Cc1cc(C[N@H+]2CCNC(=O)CC2)c(O)c(C(C)(C)C)c1 ZINC000125203023 809185149 /nfs/dbraw/zinc/18/51/49/809185149.db2.gz VNINJENAULEOAV-UHFFFAOYSA-N 1 1 290.407 2.320 20 10 CECDMO C[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1cscn1 ZINC000700444371 809306601 /nfs/dbraw/zinc/30/66/01/809306601.db2.gz PYQIDVBHCGXGGA-QMMMGPOBSA-N 1 1 278.333 2.428 20 10 CECDMO CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(F)c(F)c2[O-])C1 ZINC000703308112 809641638 /nfs/dbraw/zinc/64/16/38/809641638.db2.gz MTQAIBNSUHSCDC-JTQLQIEISA-N 1 1 270.323 2.102 20 10 CECDMO C[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)C(=O)NC(C)(C)C ZINC000708393905 809928997 /nfs/dbraw/zinc/92/89/97/809928997.db2.gz LRPNPOZTSCNIQV-MRVPVSSYSA-N 1 1 286.322 2.063 20 10 CECDMO C[C@@]1(C[NH2+]Cc2cc(F)cc(F)c2O)CCCO1 ZINC000708438228 809930900 /nfs/dbraw/zinc/93/09/00/809930900.db2.gz WGZRGTBSCPSRPW-ZDUSSCGKSA-N 1 1 257.280 2.329 20 10 CECDMO Oc1c(F)cc(F)cc1C[NH2+]CC1(O)CCCC1 ZINC000708436339 809931327 /nfs/dbraw/zinc/93/13/27/809931327.db2.gz LNBNDWXTIXRFOU-UHFFFAOYSA-N 1 1 257.280 2.065 20 10 CECDMO COc1ccc(O)c(C[N@H+]2CCO[C@@H](C(C)C)C2)c1 ZINC000709028856 809941122 /nfs/dbraw/zinc/94/11/22/809941122.db2.gz RFWHKJFJOPEEKS-OAHLLOKOSA-N 1 1 265.353 2.258 20 10 CECDMO Oc1c(F)cc(F)cc1C[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000708496903 809943979 /nfs/dbraw/zinc/94/39/79/809943979.db2.gz OHADLNACDUWPPF-OCCSQVGLSA-N 1 1 269.291 2.328 20 10 CECDMO Oc1c(F)cc(F)cc1C[NH2+]CCOC1CCC1 ZINC000708518010 809944184 /nfs/dbraw/zinc/94/41/84/809944184.db2.gz XXTAIXUHKQCTGC-UHFFFAOYSA-N 1 1 257.280 2.329 20 10 CECDMO CC[N@@H+](Cc1ccccc1O)[C@@H]1CCCN(C(C)=O)C1 ZINC001169623918 811594899 /nfs/dbraw/zinc/59/48/99/811594899.db2.gz IMADGWMHYNBDDM-OAHLLOKOSA-N 1 1 276.380 2.225 20 10 CECDMO COC(=O)[C@@H]1CCC[C@@H]([N@H+]2CCc3cccc(O)c3C2)C1 ZINC001172624564 815486125 /nfs/dbraw/zinc/48/61/25/815486125.db2.gz SFWICYQNUZFTLY-ZIAGYGMSSA-N 1 1 289.375 2.482 20 10 CECDMO COCC1([NH2+]Cc2cccc(Br)c2O)CC1 ZINC000390406319 813528907 /nfs/dbraw/zinc/52/89/07/813528907.db2.gz BMVJZEVUNYFBSD-UHFFFAOYSA-N 1 1 286.169 2.423 20 10 CECDMO OC[C@H]1C[N@H+](Cc2c(O)cccc2F)C[C@@H]1C(F)(F)F ZINC001137832640 815690710 /nfs/dbraw/zinc/69/07/10/815690710.db2.gz BSTVVRIRLCGSGM-SCZZXKLOSA-N 1 1 293.260 2.134 20 10 CECDMO OC[C@H]1C[N@@H+](Cc2c(O)cccc2F)C[C@@H]1C(F)(F)F ZINC001137832640 815690713 /nfs/dbraw/zinc/69/07/13/815690713.db2.gz BSTVVRIRLCGSGM-SCZZXKLOSA-N 1 1 293.260 2.134 20 10 CECDMO CCOC(=O)[C@@H]1CCC[N@H+](Cc2c(O)cccc2F)C1 ZINC001137837909 815692630 /nfs/dbraw/zinc/69/26/30/815692630.db2.gz YPJWLGJJVIEMTN-LLVKDONJSA-N 1 1 281.327 2.306 20 10 CECDMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2c(O)cccc2F)C1 ZINC001137837909 815692639 /nfs/dbraw/zinc/69/26/39/815692639.db2.gz YPJWLGJJVIEMTN-LLVKDONJSA-N 1 1 281.327 2.306 20 10 CECDMO COC(=O)C1(C)CC[NH+](Cc2c(O)cccc2F)CC1 ZINC001137837326 815693316 /nfs/dbraw/zinc/69/33/16/815693316.db2.gz BJDAVKQRGNNHIB-UHFFFAOYSA-N 1 1 281.327 2.306 20 10 CECDMO C[C@H]1C[N@@H+](Cc2cccc(F)c2[O-])CC[C@@]1(C)O ZINC001138123806 815731408 /nfs/dbraw/zinc/73/14/08/815731408.db2.gz MTEUBPAKYDLYDT-IINYFYTJSA-N 1 1 253.317 2.124 20 10 CECDMO C[C@H]1C[N@H+](Cc2cccc(F)c2O)CC[C@@]1(C)O ZINC001138123806 815731414 /nfs/dbraw/zinc/73/14/14/815731414.db2.gz MTEUBPAKYDLYDT-IINYFYTJSA-N 1 1 253.317 2.124 20 10 CECDMO C[C@H]1C[N@@H+](Cc2cccc(F)c2O)CC[C@@]1(C)O ZINC001138123806 815731418 /nfs/dbraw/zinc/73/14/18/815731418.db2.gz MTEUBPAKYDLYDT-IINYFYTJSA-N 1 1 253.317 2.124 20 10 CECDMO CC[N@H+]1CCN(Cc2cccc(F)c2O)C(C)(C)C1 ZINC001138130519 815735937 /nfs/dbraw/zinc/73/59/37/815735937.db2.gz BQYZSXAVAADGOW-UHFFFAOYSA-N 1 1 266.360 2.447 20 10 CECDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@H]2CO)c(OC)c1 ZINC001138386896 815786593 /nfs/dbraw/zinc/78/65/93/815786593.db2.gz ZLVHCSVRGGCJSH-INIZCTEOSA-N 1 1 292.423 2.498 20 10 CECDMO Cc1cc(C[N@H+]2CCOC3(CC3)C2)ccc1N(C)C 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C[C@@]1(O)CCC[N@@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140466940 816262588 /nfs/dbraw/zinc/26/25/88/816262588.db2.gz NAHQGCUQIQEVIV-CYBMUJFWSA-N 1 1 255.745 2.392 20 10 CECDMO Cc1ccc(O)c(C[N@H+]2CCC[C@@]3(CCCC(=O)N3)C2)c1 ZINC001140620448 816306016 /nfs/dbraw/zinc/30/60/16/816306016.db2.gz OPUWDBQUVSYRCP-KRWDZBQOSA-N 1 1 288.391 2.335 20 10 CECDMO CCN(CC)c1ccc(C[N@H+]2CC[C@H](O)[C@@H](C)C2)c(O)c1 ZINC001140850979 816383490 /nfs/dbraw/zinc/38/34/90/816383490.db2.gz XMSVDNFYMWVELY-BBRMVZONSA-N 1 1 292.423 2.441 20 10 CECDMO CCN(CC)c1ccc(C[N@@H+](C)[C@@H]2CCOC2)c(O)c1 ZINC001140855368 816383901 /nfs/dbraw/zinc/38/39/01/816383901.db2.gz WNLSBURJMPMMHR-OAHLLOKOSA-N 1 1 278.396 2.459 20 10 CECDMO Cc1ccc(C[N@H+]2CCC[C@]3(CCC(=O)O3)C2)c(O)c1 ZINC001140957606 816426492 /nfs/dbraw/zinc/42/64/92/816426492.db2.gz DUTRDASOYFYXFS-INIZCTEOSA-N 1 1 275.348 2.372 20 10 CECDMO Cc1ccc(C[N@H+]2CCN3CC(F)(F)C[C@H]3C2)c(O)c1 ZINC001140957701 816426711 /nfs/dbraw/zinc/42/67/11/816426711.db2.gz KFAGSJGCXJZVAK-ZDUSSCGKSA-N 1 1 282.334 2.226 20 10 CECDMO COc1cc(O)c(C[N@H+]2CCC[C@]23CCOC3)c(OC)c1 ZINC001141029345 816450428 /nfs/dbraw/zinc/45/04/28/816450428.db2.gz QQPMQEORQPLDRM-MRXNPFEDSA-N 1 1 293.363 2.164 20 10 CECDMO COc1cc(O)c(C[N@H+]2CCC[C@@]3(CCO3)C2)c(OC)c1 ZINC001141028963 816450738 /nfs/dbraw/zinc/45/07/38/816450738.db2.gz FNTXNVMYXFMCKA-MRXNPFEDSA-N 1 1 293.363 2.164 20 10 CECDMO CN1CCOc2cc(C[N@@H+]3CC[C@@H](F)C3)ccc21 ZINC001141139751 816483932 /nfs/dbraw/zinc/48/39/32/816483932.db2.gz AVFNZVCEWBITAI-GFCCVEGCSA-N 1 1 250.317 2.059 20 10 CECDMO CN1CCOc2cc(C[N@H+]3CC[C@@H](F)C3)ccc21 ZINC001141139751 816483937 /nfs/dbraw/zinc/48/39/37/816483937.db2.gz AVFNZVCEWBITAI-GFCCVEGCSA-N 1 1 250.317 2.059 20 10 CECDMO C[C@H]1C[N@@H+](Cc2ccc3c(c2)OCCN3C)CCC[C@@H]1O ZINC001141139770 816484200 /nfs/dbraw/zinc/48/42/00/816484200.db2.gz BGCFNZOZTNVBRN-BBRMVZONSA-N 1 1 290.407 2.108 20 10 CECDMO CN1CCOc2cc(C[N@H+]3C[C@@H]4C[C@H]3C[C@@H]4F)ccc21 ZINC001141144608 816485575 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CN1CCC[C@@H]1C[N@@H+](C)Cc1c(O)ccc2ccncc21 ZINC000817372161 633643250 /nfs/dbraw/zinc/64/32/50/633643250.db2.gz HGQMNKZJHJWPNK-CQSZACIVSA-N 1 1 285.391 2.466 20 10 CECDMO CN(Cc1c(O)ccc2ccncc21)C[C@H]1CCC[N@@H+]1C ZINC000817372161 633643253 /nfs/dbraw/zinc/64/32/53/633643253.db2.gz HGQMNKZJHJWPNK-CQSZACIVSA-N 1 1 285.391 2.466 20 10 CECDMO CN(Cc1c(O)ccc2ccncc21)C[C@H]1CCC[N@H+]1C ZINC000817372161 633643257 /nfs/dbraw/zinc/64/32/57/633643257.db2.gz HGQMNKZJHJWPNK-CQSZACIVSA-N 1 1 285.391 2.466 20 10 CECDMO CC[C@H]([NH2+]CC1(CC(N)=O)CC1)c1ccc(F)cc1O ZINC000817587176 633702673 /nfs/dbraw/zinc/70/26/73/633702673.db2.gz VRTVWFBKCNIFMW-LBPRGKRZSA-N 1 1 280.343 2.228 20 10 CECDMO C[C@@H]([NH2+]C1CC[NH2+]CC1)c1cc(Cl)ccc1[O-] ZINC000817937522 633787427 /nfs/dbraw/zinc/78/74/27/633787427.db2.gz XGPXPUZRCIESMW-SECBINFHSA-N 1 1 254.761 2.448 20 10 CECDMO C[C@H](NCCC[NH3+])c1ccc(N2CCOCC2)cc1Cl ZINC000817938931 633788534 /nfs/dbraw/zinc/78/85/34/633788534.db2.gz VVLJCDQSHUANAE-LBPRGKRZSA-N 1 1 297.830 2.176 20 10 CECDMO C[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1cc(F)ccc1[O-] ZINC000817971955 633815088 /nfs/dbraw/zinc/81/50/88/633815088.db2.gz RYTYBINHEHKXRS-NRUUGDAUSA-N 1 1 252.333 2.180 20 10 CECDMO CCOc1ccc(C[NH2+]Cc2nn(CC)nc2C)c(O)c1 ZINC000818220368 633886841 /nfs/dbraw/zinc/88/68/41/633886841.db2.gz GFSUYRUWJVAHHC-UHFFFAOYSA-N 1 1 290.367 2.001 20 10 CECDMO Cc1ccc(O)c(C[N@H+]2CCC[C@H](n3ccnn3)C2)c1 ZINC000822503987 634933256 /nfs/dbraw/zinc/93/32/56/634933256.db2.gz NZPGIXOWXIXYFF-AWEZNQCLSA-N 1 1 272.352 2.129 20 10 CECDMO COC(=O)C1(C)C[NH+](Cc2c(O)cccc2Cl)C1 ZINC000822534680 634939000 /nfs/dbraw/zinc/93/90/00/634939000.db2.gz SVNSPDFNLIZFLX-UHFFFAOYSA-N 1 1 269.728 2.041 20 10 CECDMO C[C@H]([NH2+]CC[C@@H]1CC(=O)N(C)C1)c1c(O)cccc1F ZINC000903210712 635016711 /nfs/dbraw/zinc/01/67/11/635016711.db2.gz MNWAIQFEWWKDFZ-WDEREUQCSA-N 1 1 280.343 2.050 20 10 CECDMO C[C@H]([NH2+]C1CC(CC(N)=O)C1)c1ccc(Cl)cc1O ZINC000903255565 635031092 /nfs/dbraw/zinc/03/10/92/635031092.db2.gz 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/nfs/dbraw/zinc/43/50/22/635435022.db2.gz LDUPVJSPNUNLGJ-LLVKDONJSA-N 1 1 286.169 2.111 20 10 CECDMO CC[C@@H](CO)[N@@H+](C)Cc1cccc(Br)c1[O-] ZINC000824533161 635444855 /nfs/dbraw/zinc/44/48/55/635444855.db2.gz BLPVZQYJMDYGPS-JTQLQIEISA-N 1 1 288.185 2.357 20 10 CECDMO CC[C@@H](CO)[N@H+](C)Cc1cccc(Br)c1O ZINC000824533161 635444859 /nfs/dbraw/zinc/44/48/59/635444859.db2.gz BLPVZQYJMDYGPS-JTQLQIEISA-N 1 1 288.185 2.357 20 10 CECDMO CC[C@@H](CO)[N@@H+](C)Cc1cccc(Br)c1O ZINC000824533161 635444863 /nfs/dbraw/zinc/44/48/63/635444863.db2.gz BLPVZQYJMDYGPS-JTQLQIEISA-N 1 1 288.185 2.357 20 10 CECDMO COC[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000825322060 635615272 /nfs/dbraw/zinc/61/52/72/635615272.db2.gz WNFXFONQKWGTPA-LBPRGKRZSA-N 1 1 293.363 2.369 20 10 CECDMO O=C1CC[C@@H]2C[N@@H+](Cc3c(O)cccc3Cl)CC[C@@H]2N1 ZINC000827133908 636229949 /nfs/dbraw/zinc/22/99/49/636229949.db2.gz XUHDXGXXWROJPD-MFKMUULPSA-N 1 1 294.782 2.146 20 10 CECDMO Cc1ccc(O)c(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)c1 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Cc1ccc(C[N@@H+]2CCc3ccccc3[C@H]2C(N)=O)c(O)c1 ZINC000876651239 650375795 /nfs/dbraw/zinc/37/57/95/650375795.db2.gz SJCJCBDQXBUKGL-KRWDZBQOSA-N 1 1 296.370 2.285 20 10 CECDMO Cc1ccc(C[N@H+]2CCc3ccccc3[C@H]2C(N)=O)c(O)c1 ZINC000876651239 650375796 /nfs/dbraw/zinc/37/57/96/650375796.db2.gz SJCJCBDQXBUKGL-KRWDZBQOSA-N 1 1 296.370 2.285 20 10 CECDMO CC[N@H+](C/C=C/c1ccc(N(C)C)cc1)CC(=O)N(C)C ZINC000835026220 638029281 /nfs/dbraw/zinc/02/92/81/638029281.db2.gz SKHCCZIKBORITC-BQYQJAHWSA-N 1 1 289.423 2.176 20 10 CECDMO CC[N@@H+](C/C=C/c1ccc(N(C)C)cc1)CC(=O)N(C)C ZINC000835026220 638029286 /nfs/dbraw/zinc/02/92/86/638029286.db2.gz SKHCCZIKBORITC-BQYQJAHWSA-N 1 1 289.423 2.176 20 10 CECDMO COC(=O)[C@@H]1CC[N@@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835026668 638030413 /nfs/dbraw/zinc/03/04/13/638030413.db2.gz ZNQYMTYFASCBQE-MBVDDHJVSA-N 1 1 288.391 2.261 20 10 CECDMO CN(C)c1ccc(/C=C\C[N@H+]2CCC[C@H]2CO)cc1 ZINC000835026742 638031207 /nfs/dbraw/zinc/03/12/07/638031207.db2.gz GGMQKPSERGFSKN-IMMZDGJCSA-N 1 1 260.381 2.223 20 10 CECDMO C[C@H]([NH2+]C/C=C/c1ccc(N(C)C)cc1)c1ncnn1C ZINC000835051390 638039286 /nfs/dbraw/zinc/03/92/86/638039286.db2.gz ZZNHFLPSYSXJNM-GFUIURDCSA-N 1 1 285.395 2.245 20 10 CECDMO CCn1ncnc1C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835051821 638039539 /nfs/dbraw/zinc/03/95/39/638039539.db2.gz KCXKXYHUTHNSBH-AATRIKPKSA-N 1 1 285.395 2.167 20 10 CECDMO CC[N@@H+](C/C=C\c1ccc(N(C)C)cc1)[C@H](C)CO ZINC000835055614 638041753 /nfs/dbraw/zinc/04/17/53/638041753.db2.gz LQIMVVCTEDLFGQ-LMVHVUTASA-N 1 1 262.397 2.469 20 10 CECDMO CON1CCC([N@@H+](C)Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000835076774 638049453 /nfs/dbraw/zinc/04/94/53/638049453.db2.gz VKACGCBPNGGYHM-UHFFFAOYSA-N 1 1 295.402 2.349 20 10 CECDMO CC(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(C)cc2O)C1 ZINC000876815240 650443743 /nfs/dbraw/zinc/44/37/43/650443743.db2.gz OPMWTMXSIUCCPD-CQSZACIVSA-N 1 1 276.380 2.001 20 10 CECDMO COc1cc(C)cc(C[N@H+]2CC[C@]3(CCOC3)C2)c1O ZINC000164482941 639378230 /nfs/dbraw/zinc/37/82/30/639378230.db2.gz KJVCQMJFQGKSBU-INIZCTEOSA-N 1 1 277.364 2.322 20 10 CECDMO CC(=O)N1CC[C@@H](C[N@H+](C)Cc2cc(C)c(C)cc2O)C1 ZINC000165139338 639416271 /nfs/dbraw/zinc/41/62/71/639416271.db2.gz OYYHCTSMUAYHKX-HNNXBMFYSA-N 1 1 290.407 2.309 20 10 CECDMO Cc1cc(N(C)C)ccc1C[N@@H+](C)CC(=O)N1CCCC1 ZINC000840910645 639582189 /nfs/dbraw/zinc/58/21/89/639582189.db2.gz VLJTYBFQKVSZIP-UHFFFAOYSA-N 1 1 289.423 2.115 20 10 CECDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@@]12CCOC2=O ZINC000840937577 639592303 /nfs/dbraw/zinc/59/23/03/639592303.db2.gz KCSBMADISBFVNP-KRWDZBQOSA-N 1 1 288.391 2.343 20 10 CECDMO Cc1cc(N(C)C)ccc1C[N@@H+](C)CC1(O)CCC1 ZINC000840940366 639593954 /nfs/dbraw/zinc/59/39/54/639593954.db2.gz ZIAVLSYEPIPAQZ-UHFFFAOYSA-N 1 1 262.397 2.408 20 10 CECDMO Cc1cc(N(C)C)ccc1C[N@H+]1C[C@H](O)C(C)(C)C1 ZINC000840941167 639594204 /nfs/dbraw/zinc/59/42/04/639594204.db2.gz UOTZJNLLQVGKBN-HNNXBMFYSA-N 1 1 262.397 2.264 20 10 CECDMO COCCCOC1C[NH+](Cc2ccc(N(C)C)cc2C)C1 ZINC000840953317 639599023 /nfs/dbraw/zinc/59/90/23/639599023.db2.gz POPAXLCCTWPENX-UHFFFAOYSA-N 1 1 292.423 2.298 20 10 CECDMO COC(=O)[C@H]1CSCC[N@@H+](Cc2cccc(C)c2O)C1 ZINC000840979008 639609076 /nfs/dbraw/zinc/60/90/76/639609076.db2.gz YONLCFNJGBCJAM-CYBMUJFWSA-N 1 1 295.404 2.039 20 10 CECDMO CN(C)c1ccc(/C=C/C[NH2+][C@@H](CN)C2CC2)cc1 ZINC000841027936 639620822 /nfs/dbraw/zinc/62/08/22/639620822.db2.gz GSPMMPFOQQDGGV-CWDCEQMOSA-N 1 1 259.397 2.093 20 10 CECDMO Cc1cc(O)c(CNC[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000841033159 639625297 /nfs/dbraw/zinc/62/52/97/639625297.db2.gz NSHGDJJKIVOZHS-NSHDSACASA-N 1 1 268.788 2.443 20 10 CECDMO Cc1cc(Cl)cc(C[NH2+][C@H]2CCCNC2)c1O ZINC000841043217 639629724 /nfs/dbraw/zinc/62/97/24/639629724.db2.gz PZYDALFTHHJCLX-LBPRGKRZSA-N 1 1 254.761 2.196 20 10 CECDMO Cc1cc(Br)cc(CNC[C@H]([NH3+])C2CC2)c1O ZINC000841049739 639631897 /nfs/dbraw/zinc/63/18/97/639631897.db2.gz NISHUAAWRXSJAQ-LBPRGKRZSA-N 1 1 299.212 2.290 20 10 CECDMO COc1cc(Cl)cc(C[NH2+][C@@H]2CNCC[C@@H]2C)c1O ZINC000841059173 639636955 /nfs/dbraw/zinc/63/69/55/639636955.db2.gz LZRFHCVFRABZOR-JOYOIKCWSA-N 1 1 284.787 2.142 20 10 CECDMO C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000841064958 639641358 /nfs/dbraw/zinc/64/13/58/639641358.db2.gz XHGZCEKPNHJRGR-JOYOIKCWSA-N 1 1 254.761 2.133 20 10 CECDMO COC[C@H](O)CC[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841748152 639856389 /nfs/dbraw/zinc/85/63/89/639856389.db2.gz HQHOYUNUGQBVMP-MWLCHTKSSA-N 1 1 273.760 2.094 20 10 CECDMO C[C@H]([NH2+]CCCn1ccnn1)c1ccc(Cl)cc1O ZINC000841754710 639858643 /nfs/dbraw/zinc/85/86/43/639858643.db2.gz UZDPUPTUINSBGI-JTQLQIEISA-N 1 1 280.759 2.378 20 10 CECDMO C[C@H]([NH2+]Cc1cnn(C)n1)c1ccc(Cl)cc1O ZINC000841758354 639859949 /nfs/dbraw/zinc/85/99/49/639859949.db2.gz SKAJOBSQWIUYPZ-QMMMGPOBSA-N 1 1 266.732 2.025 20 10 CECDMO C[NH2+][C@H]1CCCN(Cc2c(O)ccc(Cl)c2F)C1 ZINC000843048788 640253419 /nfs/dbraw/zinc/25/34/19/640253419.db2.gz YRISGGNERLAUTM-VIFPVBQESA-N 1 1 272.751 2.369 20 10 CECDMO C[NH2+]C[C@H]1CCCN1Cc1cc(Cl)cc(F)c1O ZINC000843056356 640258763 /nfs/dbraw/zinc/25/87/63/640258763.db2.gz ZCCJNFMNBGKFPL-LLVKDONJSA-N 1 1 272.751 2.369 20 10 CECDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCN[C@@H](C)[C@H]1C ZINC000843057236 640259510 /nfs/dbraw/zinc/25/95/10/640259510.db2.gz HEHMSXPZAYGVTI-UONOGXRCSA-N 1 1 261.413 2.243 20 10 CECDMO Cc1cc(N(C)C)ccc1C[N@@H+]1CCN[C@@H](C)[C@H]1C ZINC000843057236 640259513 /nfs/dbraw/zinc/25/95/13/640259513.db2.gz HEHMSXPZAYGVTI-UONOGXRCSA-N 1 1 261.413 2.243 20 10 CECDMO C[C@]1(C[NH3+])CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000843116938 640287431 /nfs/dbraw/zinc/28/74/31/640287431.db2.gz NLROUEGTWGMUPB-CYBMUJFWSA-N 1 1 272.751 2.355 20 10 CECDMO C[C@]1(C[NH3+])CC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000843116938 640287436 /nfs/dbraw/zinc/28/74/36/640287436.db2.gz NLROUEGTWGMUPB-CYBMUJFWSA-N 1 1 272.751 2.355 20 10 CECDMO Cc1cc(N(C)C)ccc1C[N@H+]1C[C@@H](C)NC[C@@H]1C ZINC000843119900 640288190 /nfs/dbraw/zinc/28/81/90/640288190.db2.gz 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COC(=O)C1(C[NH2+]Cc2cc(Cl)c(F)cc2O)CC1 ZINC000294715992 378016159 /nfs/dbraw/zinc/01/61/59/378016159.db2.gz PBEOGSFEINFMIV-UHFFFAOYSA-N 1 1 287.718 2.228 20 10 CECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H](C)CC(C)(C)O)c1 ZINC000296371893 378507411 /nfs/dbraw/zinc/50/74/11/378507411.db2.gz JGJQQLNIVFZWCN-GHMZBOCLSA-N 1 1 295.379 2.379 20 10 CECDMO Oc1cc(F)c(Cl)cc1C[NH2+]CC12CC(C1)CO2 ZINC000529663859 380182145 /nfs/dbraw/zinc/18/21/45/380182145.db2.gz UTUIKRHWLCJDFN-UHFFFAOYSA-N 1 1 271.719 2.453 20 10 CECDMO COc1ccc(O)c(C[N@H+](C)CC2(N(C)C)CCC2)c1 ZINC000097934062 394700134 /nfs/dbraw/zinc/70/01/34/394700134.db2.gz QDPGTNNMBZNCOT-UHFFFAOYSA-N 1 1 278.396 2.317 20 10 CECDMO COc1ccc(O)c(C[N@@H+](C)CC2(N(C)C)CCC2)c1 ZINC000097934062 394700136 /nfs/dbraw/zinc/70/01/36/394700136.db2.gz QDPGTNNMBZNCOT-UHFFFAOYSA-N 1 1 278.396 2.317 20 10 CECDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)C)C1 ZINC000336403883 394851630 /nfs/dbraw/zinc/85/16/30/394851630.db2.gz QEBVAOFCFKZSJL-UHFFFAOYSA-N 1 1 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COc1cc(O)c(C[N@@H+](CC(C)(C)O)C2CC2)cc1OC ZINC000189941649 295003713 /nfs/dbraw/zinc/00/37/13/295003713.db2.gz ZAMDXPOKIZHIGU-UHFFFAOYSA-N 1 1 295.379 2.145 20 10 CECDMO COC(=O)[C@@H]1C[N@@H+](Cc2cc(OC)ccc2O)CC1(C)C ZINC000378440543 329050328 /nfs/dbraw/zinc/05/03/28/329050328.db2.gz BVHZPQKQZCUWSP-ZDUSSCGKSA-N 1 1 293.363 2.032 20 10 CECDMO C[N@H+]1CC[C@H]2CCN(Cc3cc(F)ccc3O)C[C@H]21 ZINC000378493532 329052989 /nfs/dbraw/zinc/05/29/89/329052989.db2.gz IKTORLKYUDAGKQ-SMDDNHRTSA-N 1 1 264.344 2.057 20 10 CECDMO CCOC(=O)N1CCC[N@@H+](Cc2cc(F)ccc2O)CC1 ZINC000180016265 329214465 /nfs/dbraw/zinc/21/44/65/329214465.db2.gz HOLHSHRXTVNFQO-UHFFFAOYSA-N 1 1 296.342 2.196 20 10 CECDMO Cc1c2ccccc2n(C)c1CN[C@@H](C)C1C[NH2+]C1 ZINC000423086767 330168921 /nfs/dbraw/zinc/16/89/21/330168921.db2.gz NZSLPZGLBNTMTE-LBPRGKRZSA-N 1 1 257.381 2.184 20 10 CECDMO CC[C@H]([NH2+]Cc1cnnn1CC)c1ccc(F)cc1O ZINC000527915755 330295273 /nfs/dbraw/zinc/29/52/73/330295273.db2.gz MSBLNYNGEXADCH-ZDUSSCGKSA-N 1 1 278.331 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ZINC000898035751 632029436 /nfs/dbraw/zinc/02/94/36/632029436.db2.gz ZOKCRBAXNPDBTM-UHFFFAOYSA-N 1 1 274.408 2.443 20 10 CECDMO CN(C)c1ccc(C[N@@H+](C)C[C@H](O)C2CC2)cc1F ZINC000809752212 632141241 /nfs/dbraw/zinc/14/12/41/632141241.db2.gz PKDQATOHPOUNBH-HNNXBMFYSA-N 1 1 266.360 2.094 20 10 CECDMO CN(C)c1ccc(CNC[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000841058334 632361533 /nfs/dbraw/zinc/36/15/33/632361533.db2.gz VTWGBWQZFKMPAP-INIZCTEOSA-N 1 1 261.413 2.232 20 10 CECDMO Cc1cc(O)c(CN[C@H]2CC[NH2+]C[C@H]2C)c(Cl)c1 ZINC000841064066 632378202 /nfs/dbraw/zinc/37/82/02/632378202.db2.gz OTHINFJJXNDYEI-MFKMUULPSA-N 1 1 268.788 2.442 20 10 CECDMO COCC[C@@H]1COCC[N@H+]1Cc1cc(C)cc(C)c1O ZINC000812299620 632505579 /nfs/dbraw/zinc/50/55/79/632505579.db2.gz ODASZFGSPKFJOE-OAHLLOKOSA-N 1 1 279.380 2.246 20 10 CECDMO C[C@@H](NC(=O)[C@@H]1CC[N@H+]1C(C)(C)C)c1ccccc1O ZINC000899181403 632726943 /nfs/dbraw/zinc/72/69/43/632726943.db2.gz BREZCXSZXWJQSW-YPMHNXCESA-N 1 1 276.380 2.442 20 10 CECDMO CCOC(=O)CC[N@@H+](C)Cc1ccc(N(C)C)c(C)c1 ZINC000815034407 632951259 /nfs/dbraw/zinc/95/12/59/632951259.db2.gz NLALKPHRIAHOLK-UHFFFAOYSA-N 1 1 278.396 2.446 20 10 CECDMO CNC(=O)[C@H](C)C[N@@H+](C)Cc1ccc2ccccc2c1O ZINC000816520459 633406235 /nfs/dbraw/zinc/40/62/35/633406235.db2.gz PYMGELPYOUMPCH-GFCCVEGCSA-N 1 1 286.375 2.359 20 10 CECDMO CCCNC(=O)CC[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816537439 633409638 /nfs/dbraw/zinc/40/96/38/633409638.db2.gz FODUWUAROBNOQG-UHFFFAOYSA-N 1 1 288.750 2.191 20 10 CECDMO C[C@@H](CC[NH2+]Cc1cc(Cl)c(F)cc1O)[S@@](C)=O ZINC000816563506 633412918 /nfs/dbraw/zinc/41/29/18/633412918.db2.gz AHGFXELOWQTGDZ-DCXZOGHSSA-N 1 1 293.791 2.431 20 10 CECDMO OC[C@@]1(F)CC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816600858 633421072 /nfs/dbraw/zinc/42/10/72/633421072.db2.gz JOOCDFFSOCCQJK-MRXNPFEDSA-N 1 1 275.323 2.452 20 10 CECDMO CC[C@H]1C[N@@H+](C)CCN1Cc1cc(F)ccc1O ZINC000816660829 633458739 /nfs/dbraw/zinc/45/87/39/633458739.db2.gz QTPZTUWIVNLWKL-ZDUSSCGKSA-N 1 1 252.333 2.057 20 10 CECDMO CC[C@H]1CN(C)CC[N@@H+]1Cc1cc(F)ccc1O ZINC000816660829 633458746 /nfs/dbraw/zinc/45/87/46/633458746.db2.gz QTPZTUWIVNLWKL-ZDUSSCGKSA-N 1 1 252.333 2.057 20 10 CECDMO CC[C@H]1CN(C)CC[N@H+]1Cc1cc(F)ccc1O ZINC000816660829 633458748 /nfs/dbraw/zinc/45/87/48/633458748.db2.gz QTPZTUWIVNLWKL-ZDUSSCGKSA-N 1 1 252.333 2.057 20 10 CECDMO Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000817941399 633790010 /nfs/dbraw/zinc/79/00/10/633790010.db2.gz JQKHDWZPNKNUTB-BZNIZROVSA-N 1 1 287.411 2.135 20 10 CECDMO C[C@@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1ccccn1 ZINC000817942635 633791081 /nfs/dbraw/zinc/79/10/81/633791081.db2.gz QEOAHJROVKVJBC-CJNGLKHVSA-N 1 1 284.407 2.498 20 10 CECDMO C[C@@H]([NH2+]CC1C[NH2+]C1)c1ccc(Br)cc1[O-] ZINC000817964552 633805844 /nfs/dbraw/zinc/80/58/44/633805844.db2.gz CITPKBRQSITGHB-MRVPVSSYSA-N 1 1 285.185 2.025 20 10 CECDMO C[C@@H](C[NH3+])[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000817970387 633808800 /nfs/dbraw/zinc/80/88/00/633808800.db2.gz UKCZTBLQOQDLFS-BQBZGAKWSA-N 1 1 291.164 2.292 20 10 CECDMO Cc1ccc([C@H](C)NC[C@H]2C[NH2+]CCCO2)c(O)c1C ZINC000817982241 633824946 /nfs/dbraw/zinc/82/49/46/633824946.db2.gz PSXQDRBTLFCHLM-UONOGXRCSA-N 1 1 278.396 2.038 20 10 CECDMO C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817981750 633824978 /nfs/dbraw/zinc/82/49/78/633824978.db2.gz NJXWYSWGRFYAGG-IINYFYTJSA-N 1 1 293.367 2.469 20 10 CECDMO C[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817983939 633826619 /nfs/dbraw/zinc/82/66/19/633826619.db2.gz MBEBMYVJIXPTFE-MNOVXSKESA-N 1 1 279.340 2.093 20 10 CECDMO C[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817983938 633827310 /nfs/dbraw/zinc/82/73/10/633827310.db2.gz MBEBMYVJIXPTFE-GHMZBOCLSA-N 1 1 279.340 2.093 20 10 CECDMO O=C(NCc1ccccc1O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC000901125507 633955339 /nfs/dbraw/zinc/95/53/39/633955339.db2.gz YESIKYUBAGGYHU-KBPBESRZSA-N 1 1 274.364 2.025 20 10 CECDMO C[NH+]1CCC([NH2+]Cc2cccc(Br)c2[O-])CC1 ZINC000042411904 633959413 /nfs/dbraw/zinc/95/94/13/633959413.db2.gz SWEQCCAGGRUKHZ-UHFFFAOYSA-N 1 1 299.212 2.339 20 10 CECDMO C[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)c1ccc(N(C)C)cc1 ZINC000822081200 634845988 /nfs/dbraw/zinc/84/59/88/634845988.db2.gz CYFGWLNXLQXGMQ-KBPBESRZSA-N 1 1 289.423 2.272 20 10 CECDMO COC(=O)C1(C)C[NH+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000822534415 634938556 /nfs/dbraw/zinc/93/85/56/634938556.db2.gz FQPPUJSIWPCCCF-UHFFFAOYSA-N 1 1 299.754 2.049 20 10 CECDMO CC[C@H]([NH2+]C[C@H]1CCN1C)c1ccc(F)cc1O ZINC000903319418 635054033 /nfs/dbraw/zinc/05/40/33/635054033.db2.gz ZABRAHWOOAGJOY-YPMHNXCESA-N 1 1 252.333 2.276 20 10 CECDMO COc1cc(Cl)cc(CN2CC[C@@H](C)[C@@H](C[NH3+])C2)c1O ZINC000163389568 635165524 /nfs/dbraw/zinc/16/55/24/635165524.db2.gz SCFISVYYETWUPH-PWSUYJOCSA-N 1 1 298.814 2.471 20 10 CECDMO C[N@H+]1CCCC[C@H]1C(=O)NCc1ccc2cccnc2c1O ZINC000823769022 635274741 /nfs/dbraw/zinc/27/47/41/635274741.db2.gz HNLWDPDSLJFGNY-AWEZNQCLSA-N 1 1 299.374 2.041 20 10 CECDMO CCOc1ccc(O)c(CN2CCC([NH3+])(CC)CC2)c1 ZINC000903947514 635378755 /nfs/dbraw/zinc/37/87/55/635378755.db2.gz ZDCHBADIQMBEIX-UHFFFAOYSA-N 1 1 278.396 2.494 20 10 CECDMO CCOc1ccc(O)c(CNCc2cc(N)cc[nH+]2)c1 ZINC000903951496 635384932 /nfs/dbraw/zinc/38/49/32/635384932.db2.gz ZDRNRVGKQIHGGC-UHFFFAOYSA-N 1 1 273.336 2.058 20 10 CECDMO CC1(C)CN(Cc2cccc(Cl)c2O)C[C@@H]1[NH3+] ZINC000903987215 635405485 /nfs/dbraw/zinc/40/54/85/635405485.db2.gz YRASKWBUYVWJQA-NSHDSACASA-N 1 1 254.761 2.215 20 10 CECDMO CC(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000824560244 635451689 /nfs/dbraw/zinc/45/16/89/635451689.db2.gz DSCIMAMUZPWJOD-ZDUSSCGKSA-N 1 1 296.798 2.455 20 10 CECDMO CCOc1ccc(C[N@H+]2CC[C@@H](CO)[C@H]2CC)c(O)c1 ZINC000824637171 635468666 /nfs/dbraw/zinc/46/86/66/635468666.db2.gz WKMGHIIEXAMRLA-DZGCQCFKSA-N 1 1 279.380 2.384 20 10 CECDMO CC[C@H]1[C@H](CO)CC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000824636816 635468713 /nfs/dbraw/zinc/46/87/13/635468713.db2.gz TYMBCOPWXBJLAA-HOCLYGCPSA-N 1 1 262.397 2.345 20 10 CECDMO Cc1cc(O)c(C[N@@H+]2C[C@H]3CCN(C)[C@H]3C2)cc1C ZINC000824893307 635518956 /nfs/dbraw/zinc/51/89/56/635518956.db2.gz OVGJLGSRBWPKLT-HIFRSBDPSA-N 1 1 260.381 2.145 20 10 CECDMO Cc1cc(O)c(CN2C[C@H]3CC[N@@H+](C)[C@H]3C2)cc1C ZINC000824893307 635518960 /nfs/dbraw/zinc/51/89/60/635518960.db2.gz OVGJLGSRBWPKLT-HIFRSBDPSA-N 1 1 260.381 2.145 20 10 CECDMO Cc1cc(O)c(CN2C[C@H]3CC[N@H+](C)[C@H]3C2)cc1C ZINC000824893307 635518965 /nfs/dbraw/zinc/51/89/65/635518965.db2.gz OVGJLGSRBWPKLT-HIFRSBDPSA-N 1 1 260.381 2.145 20 10 CECDMO C[C@@H](NCc1ccc2c(c1)CCCO2)[C@H]1CCC[NH2+]C1 ZINC000904353024 635585767 /nfs/dbraw/zinc/58/57/67/635585767.db2.gz GKVSTLKBTVXNAT-CJNGLKHVSA-N 1 1 274.408 2.489 20 10 CECDMO Cc1cc(Br)c(O)c(C[NH2+][C@H]2C[C@@H](O)C2)c1 ZINC000825256898 635601562 /nfs/dbraw/zinc/60/15/62/635601562.db2.gz LNBAKKJPKBTVGC-AOOOYVTPSA-N 1 1 286.169 2.076 20 10 CECDMO COc1cc(Cl)cc(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)c1O ZINC000904411640 635619448 /nfs/dbraw/zinc/61/94/48/635619448.db2.gz ONWKCBXXRSDYTD-WDEREUQCSA-N 1 1 298.814 2.471 20 10 CECDMO Cc1cc(O)c(C[N@H+]2CC[C@@H](n3cncn3)C2)cc1Cl ZINC000825556655 635663618 /nfs/dbraw/zinc/66/36/18/635663618.db2.gz UDHZZZJGAQPDCR-GFCCVEGCSA-N 1 1 292.770 2.393 20 10 CECDMO Cc1cc(O)c(C[N@@H+]2CC[C@@H](O)[C@H]2C)cc1Cl ZINC000826090085 635759788 /nfs/dbraw/zinc/75/97/88/635759788.db2.gz VHPQUWSUUZQATL-BXKDBHETSA-N 1 1 255.745 2.309 20 10 CECDMO Oc1cccc(Cl)c1C[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000827291348 636282271 /nfs/dbraw/zinc/28/22/71/636282271.db2.gz KBUHDZRMQNZGOQ-TVQRCGJNSA-N 1 1 253.729 2.002 20 10 CECDMO CCOc1ccc(O)c(C[N@H+]2CC[C@H]3COC[C@H]3C2)c1 ZINC000827593996 636362359 /nfs/dbraw/zinc/36/23/59/636362359.db2.gz DIKPZUPKUVWRAX-GXTWGEPZSA-N 1 1 277.364 2.259 20 10 CECDMO CCOc1ccc(O)c(C[N@H+]2CC[C@@H]3COC[C@H]3C2)c1 ZINC000827594005 636362388 /nfs/dbraw/zinc/36/23/88/636362388.db2.gz DIKPZUPKUVWRAX-TZMCWYRMSA-N 1 1 277.364 2.259 20 10 CECDMO CCOc1ccc(C[N@H+]2CC[C@H]3COC[C@H]3C2)c(O)c1 ZINC000827594769 636362476 /nfs/dbraw/zinc/36/24/76/636362476.db2.gz JMAAWGQMYZFOMD-UONOGXRCSA-N 1 1 277.364 2.259 20 10 CECDMO C[C@H](CO)C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000121393420 637108849 /nfs/dbraw/zinc/10/88/49/637108849.db2.gz WUICVIPUOWCRAS-ZFWWWQNUSA-N 1 1 279.380 2.002 20 10 CECDMO CC(C)[N@H+]1CCC[C@@H](NC(=O)C2=CC(=O)CS2)C1 ZINC000832296762 637537253 /nfs/dbraw/zinc/53/72/53/637537253.db2.gz NRIABJGYBCUZMO-SNVBAGLBSA-N 1 1 268.382 2.056 20 10 CECDMO CC[N@@H+](CCC(=O)OC)Cc1c(C)cccc1O ZINC000876630647 650367419 /nfs/dbraw/zinc/36/74/19/650367419.db2.gz HEPRPBHEGSFQAI-UHFFFAOYSA-N 1 1 251.326 2.086 20 10 CECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H](C)CCCO)c1 ZINC000834871333 637975740 /nfs/dbraw/zinc/97/57/40/637975740.db2.gz NDNKHAWBJHLDMZ-RYUDHWBXSA-N 1 1 295.379 2.238 20 10 CECDMO C[C@H]([NH2+]C/C=C\c1ccc(N(C)C)cc1)c1nncn1C ZINC000835037766 638032759 /nfs/dbraw/zinc/03/27/59/638032759.db2.gz MRDRCMGANOSPPF-SZZPACECSA-N 1 1 285.395 2.245 20 10 CECDMO CC[C@@H](CO)[N@@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835055057 638040375 /nfs/dbraw/zinc/04/03/75/638040375.db2.gz PNFQKZAEWXZLEZ-XHPSBEMXSA-N 1 1 262.397 2.469 20 10 CECDMO CN(C)c1ccc(/C=C\C[N@@H+](C)C[C@@H](O)C2CC2)cc1 ZINC000835054245 638041175 /nfs/dbraw/zinc/04/11/75/638041175.db2.gz TXAXTHTWRGPTFW-VGOKWCNXSA-N 1 1 274.408 2.469 20 10 CECDMO CC[C@@H](CO)[N@@H+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835055055 638041267 /nfs/dbraw/zinc/04/12/67/638041267.db2.gz PNFQKZAEWXZLEZ-LFAOLKIESA-N 1 1 262.397 2.469 20 10 CECDMO COCCOCC[N@@H+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835057001 638041937 /nfs/dbraw/zinc/04/19/37/638041937.db2.gz XLDHZFJDFAOZGM-AATRIKPKSA-N 1 1 292.423 2.361 20 10 CECDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC000840910398 639582718 /nfs/dbraw/zinc/58/27/18/639582718.db2.gz LXCNXWAVMVCHRZ-CQSZACIVSA-N 1 1 276.380 2.056 20 10 CECDMO CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(N(C)C)cc1C ZINC000840910031 639583328 /nfs/dbraw/zinc/58/33/28/639583328.db2.gz 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/nfs/dbraw/zinc/65/07/87/639650787.db2.gz KFPXFGAKUOIWCZ-CABZTGNLSA-N 1 1 299.212 2.372 20 10 CECDMO C[C@@H]([NH2+]Cc1nnnn1C1CC1)c1ccc(Cl)cc1O ZINC000841747461 639857451 /nfs/dbraw/zinc/85/74/51/639857451.db2.gz BJKUGJVATHHXQV-MRVPVSSYSA-N 1 1 293.758 2.218 20 10 CECDMO Cc1cc(O)c(C[N@H+]2CC[C@@H](Nc3ncccn3)C2)cc1C ZINC000842614748 640119055 /nfs/dbraw/zinc/11/90/55/640119055.db2.gz DHYDAYAAIXEBST-OAHLLOKOSA-N 1 1 298.390 2.485 20 10 CECDMO Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@@H](C)N[C@@H](C)C1 ZINC000843049001 640253953 /nfs/dbraw/zinc/25/39/53/640253953.db2.gz CTZRWDODUUJBFC-OKILXGFUSA-N 1 1 261.413 2.243 20 10 CECDMO Cc1cc(N(C)C)ccc1C[N@H+]1C[C@@H](C)N[C@@H](C)C1 ZINC000843049001 640253954 /nfs/dbraw/zinc/25/39/54/640253954.db2.gz CTZRWDODUUJBFC-OKILXGFUSA-N 1 1 261.413 2.243 20 10 CECDMO Oc1c(Cl)cccc1CN(C1CC1)[C@H]1CC[NH2+]C1 ZINC000843055050 640257722 /nfs/dbraw/zinc/25/77/22/640257722.db2.gz DYOOEIIGPSNHCH-LBPRGKRZSA-N 1 1 266.772 2.372 20 10 CECDMO CC(C)[C@H]1CN(Cc2cccc(Cl)c2O)CC[NH2+]1 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Cc1cc(N(C)C)ccc1C[N@H+](C)[C@@H](C)CCO ZINC000846111027 641185728 /nfs/dbraw/zinc/18/57/28/641185728.db2.gz MBXRTAYWFQGFGZ-ZDUSSCGKSA-N 1 1 250.386 2.264 20 10 CECDMO F[C@@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000846122189 641193465 /nfs/dbraw/zinc/19/34/65/641193465.db2.gz KFWVQJKQYMOQBV-OAHLLOKOSA-N 1 1 278.371 2.457 20 10 CECDMO Cc1cccc(C[N@@H+](C)CC(=O)NC(C)(C)C)c1O ZINC000179609448 641367046 /nfs/dbraw/zinc/36/70/46/641367046.db2.gz IEWBDAGLLGCGQL-UHFFFAOYSA-N 1 1 264.369 2.047 20 10 CECDMO C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000846705014 641403252 /nfs/dbraw/zinc/40/32/52/641403252.db2.gz WZOWGWHRAWIQKN-KOLCDFICSA-N 1 1 254.761 2.357 20 10 CECDMO CC(=O)c1cc(Cl)cc(C[NH2+][C@H]2C[C@@H](O)C2(C)C)c1O ZINC000846961706 641500609 /nfs/dbraw/zinc/50/06/09/641500609.db2.gz QZMOVVMPZVUMSD-QWHCGFSZSA-N 1 1 297.782 2.497 20 10 CECDMO CN1CCN(c2ccc(C[NH2+]Cc3cccnc3)cc2)CC1 ZINC000107797377 642103265 /nfs/dbraw/zinc/10/32/65/642103265.db2.gz GEWDOYRNOYGXJH-UHFFFAOYSA-N 1 1 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Cc1cc(O)c(CN2C[C@@H]3CCC[C@]3([NH3+])C2)cc1C ZINC000857226759 644859727 /nfs/dbraw/zinc/85/97/27/644859727.db2.gz YWDFBBPBNKHWFB-HOCLYGCPSA-N 1 1 260.381 2.322 20 10 CECDMO [NH3+][C@]12CCC[C@H]1CN(Cc1cccc(Cl)c1O)C2 ZINC000857226323 644859895 /nfs/dbraw/zinc/85/98/95/644859895.db2.gz KSYNLASUUPKLPG-FZMZJTMJSA-N 1 1 266.772 2.359 20 10 CECDMO Cc1cc(O)c(CN2C[C@@H]3CCC[C@@]3([NH3+])C2)cc1C ZINC000857226758 644859948 /nfs/dbraw/zinc/85/99/48/644859948.db2.gz YWDFBBPBNKHWFB-GOEBONIOSA-N 1 1 260.381 2.322 20 10 CECDMO C[N@H+]1CCCC[C@H]1CCOC(=O)c1cccc(O)c1O ZINC000758547263 644938708 /nfs/dbraw/zinc/93/87/08/644938708.db2.gz JJOVRCXKJVBIPR-NSHDSACASA-N 1 1 279.336 2.129 20 10 CECDMO CN(C)c1cc(F)c(C[NH2+]CC(C)(C)N(C)C)cc1F ZINC000858086425 645055486 /nfs/dbraw/zinc/05/54/86/645055486.db2.gz HZGGDOVLHIYGFK-UHFFFAOYSA-N 1 1 285.382 2.461 20 10 CECDMO CN(C)CC(C)(C)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858175754 645081735 /nfs/dbraw/zinc/08/17/35/645081735.db2.gz UKZIVBHYDLTUGL-UHFFFAOYSA-N 1 1 285.382 2.461 20 10 CECDMO CCN1CCC([N@H+](C)Cc2c(O)cccc2OC)CC1 ZINC000768233004 646099965 /nfs/dbraw/zinc/09/99/65/646099965.db2.gz HYDMDFCVFVFVSE-UHFFFAOYSA-N 1 1 278.396 2.317 20 10 CECDMO CCN1CCC([N@@H+](C)Cc2c(O)cccc2OC)CC1 ZINC000768233004 646099970 /nfs/dbraw/zinc/09/99/70/646099970.db2.gz HYDMDFCVFVFVSE-UHFFFAOYSA-N 1 1 278.396 2.317 20 10 CECDMO CCN(CC)c1ccc(C[N@H+](CC)CC(=O)NC)cc1F ZINC000768301743 646105387 /nfs/dbraw/zinc/10/53/87/646105387.db2.gz KGLLYVRMEJQWJZ-UHFFFAOYSA-N 1 1 295.402 2.240 20 10 CECDMO CCN(CC)c1ccc(C[N@@H+](CC)CC(=O)NC)cc1F ZINC000768301743 646105388 /nfs/dbraw/zinc/10/53/88/646105388.db2.gz KGLLYVRMEJQWJZ-UHFFFAOYSA-N 1 1 295.402 2.240 20 10 CECDMO CC[N@@H+](CCOC)Cc1cc(OC)c(C)cc1O ZINC000768440596 646122942 /nfs/dbraw/zinc/12/29/42/646122942.db2.gz QYNLQYGCMVOLEC-UHFFFAOYSA-N 1 1 253.342 2.178 20 10 CECDMO C[N@@H+](Cc1ccccc1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768437723 646122981 /nfs/dbraw/zinc/12/29/81/646122981.db2.gz FIUPTOVXXKJUKE-MRXNPFEDSA-N 1 1 285.343 2.450 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Cc1ccc(C[N@H+]2CC[C@@H](Oc3ncccn3)C2)c(O)c1 ZINC001140954509 816423677 /nfs/dbraw/zinc/42/36/77/816423677.db2.gz VGTYDDRXVFTOBV-CQSZACIVSA-N 1 1 285.347 2.144 20 10 CECDMO CCOC(=O)[C@@H]1C[N@@H+](Cc2ccc(C)cc2O)CCS1 ZINC001140954748 816424079 /nfs/dbraw/zinc/42/40/79/816424079.db2.gz XTCCMXSOJHJUNP-AWEZNQCLSA-N 1 1 295.404 2.181 20 10 CECDMO COc1cc(O)c(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(OC)c1 ZINC001141032095 816452588 /nfs/dbraw/zinc/45/25/88/816452588.db2.gz RYQSLEQMQZAWAA-PHIMTYICSA-N 1 1 281.352 2.019 20 10 CECDMO COc1cc(O)c(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(OC)c1 ZINC001141032095 816452595 /nfs/dbraw/zinc/45/25/95/816452595.db2.gz RYQSLEQMQZAWAA-PHIMTYICSA-N 1 1 281.352 2.019 20 10 CECDMO CN1CCOc2cc(C[N@@H+]3[C@@H]4CC[C@H]3CC(=O)C4)ccc21 ZINC001141142016 816485453 /nfs/dbraw/zinc/48/54/53/816485453.db2.gz CSXHBXWXQOVNDX-OKILXGFUSA-N 1 1 286.375 2.211 20 10 CECDMO CN1CCOc2cc(C[N@@H+]3CCc4ccncc4C3)ccc21 ZINC001141143697 816486034 /nfs/dbraw/zinc/48/60/34/816486034.db2.gz 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/nfs/dbraw/zinc/67/68/30/816676830.db2.gz GRTZUETXWVGNTD-CQSZACIVSA-N 1 1 289.297 2.357 20 10 CECDMO Oc1cc(F)c(F)cc1C[N@H+]1CCCC[C@@](O)(CF)C1 ZINC001142508655 816676833 /nfs/dbraw/zinc/67/68/33/816676833.db2.gz GRTZUETXWVGNTD-CQSZACIVSA-N 1 1 289.297 2.357 20 10 CECDMO C[N@H+](Cc1cc(F)c(F)cc1O)[C@H]1CC[C@H](O)CC1 ZINC001142508678 816677972 /nfs/dbraw/zinc/67/79/72/816677972.db2.gz HRRWORDVQRATMX-XYPYZODXSA-N 1 1 271.307 2.406 20 10 CECDMO C[N@@H+](Cc1cc(F)c(F)cc1O)[C@H]1CC[C@H](O)CC1 ZINC001142508678 816677977 /nfs/dbraw/zinc/67/79/77/816677977.db2.gz HRRWORDVQRATMX-XYPYZODXSA-N 1 1 271.307 2.406 20 10 CECDMO COC(=O)[C@H]1C[C@@H](C)C[N@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001142524793 816678952 /nfs/dbraw/zinc/67/89/52/816678952.db2.gz LAGCSGPDXDFFRZ-KOLCDFICSA-N 1 1 299.317 2.301 20 10 CECDMO COC(=O)[C@H]1C[C@@H](C)C[N@@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001142524793 816678957 /nfs/dbraw/zinc/67/89/57/816678957.db2.gz LAGCSGPDXDFFRZ-KOLCDFICSA-N 1 1 299.317 2.301 20 10 CECDMO Oc1cc(F)c(F)cc1C[NH+]1CCC2(CC1)OCCO2 ZINC001142512789 816679429 /nfs/dbraw/zinc/67/94/29/816679429.db2.gz KYMNFLAFZLUIIN-UHFFFAOYSA-N 1 1 285.290 2.009 20 10 CECDMO CN(C)c1ccc(CN2CCCC[C@@](F)(C[NH3+])C2)c(O)c1 ZINC001206360744 816825552 /nfs/dbraw/zinc/82/55/52/816825552.db2.gz AIGLDYLORCNPLR-MRXNPFEDSA-N 1 1 295.402 2.111 20 10 CECDMO CCOc1ccc(O)c(C[N@@H+](C)CCn2cccn2)c1 ZINC000125315979 365671148 /nfs/dbraw/zinc/67/11/48/365671148.db2.gz ASVFVGXNBPGRAM-UHFFFAOYSA-N 1 1 275.352 2.119 20 10 CECDMO COCC[N@@H+](CCO)Cc1ccc(N2CCCCC2)cc1 ZINC000093005578 344211641 /nfs/dbraw/zinc/21/16/41/344211641.db2.gz AIKVHHZBEHMJDN-UHFFFAOYSA-N 1 1 292.423 2.118 20 10 CECDMO CCOC(=O)C[N@@H+](Cc1cccc(OC)c1O)CC(C)C ZINC000091789887 364072571 /nfs/dbraw/zinc/07/25/71/364072571.db2.gz WXCJUJQVPDWSLN-UHFFFAOYSA-N 1 1 295.379 2.422 20 10 CECDMO CCOC(=O)C[N@H+](Cc1cccc(OC)c1O)CC(C)C ZINC000091789887 364072573 /nfs/dbraw/zinc/07/25/73/364072573.db2.gz WXCJUJQVPDWSLN-UHFFFAOYSA-N 1 1 295.379 2.422 20 10 CECDMO C[N@@H+]1CCN(C(=O)Cc2ccc(N)cc2)c2ccccc2C1 ZINC000237193186 370699206 /nfs/dbraw/zinc/69/92/06/370699206.db2.gz ZEKQPOXJFPSGKN-UHFFFAOYSA-N 1 1 295.386 2.290 20 10 CECDMO C[N@H+]1CCN(C(=O)Cc2ccc(N)cc2)c2ccccc2C1 ZINC000237193186 370699216 /nfs/dbraw/zinc/69/92/16/370699216.db2.gz ZEKQPOXJFPSGKN-UHFFFAOYSA-N 1 1 295.386 2.290 20 10 CECDMO C[N@H+](Cc1cccc(F)c1[O-])CC1CC[NH+](C)CC1 ZINC000160232788 366985760 /nfs/dbraw/zinc/98/57/60/366985760.db2.gz PGXPYDSHOYLELC-UHFFFAOYSA-N 1 1 266.360 2.305 20 10 CECDMO C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273424089 296114888 /nfs/dbraw/zinc/11/48/88/296114888.db2.gz STWPJWNRFIRLJE-SNVBAGLBSA-N 1 1 279.340 2.045 20 10 CECDMO COC(=O)C[C@H]1CCC[N@H+]1Cc1cc(F)ccc1O ZINC000180195649 368371993 /nfs/dbraw/zinc/37/19/93/368371993.db2.gz SBJIIRCDTUOPPZ-GFCCVEGCSA-N 1 1 267.300 2.059 20 10 CECDMO COc1ccc(O)c(C[N@H+]2CCOC3(CCC3)C2)c1 ZINC000180417417 368380338 /nfs/dbraw/zinc/38/03/38/368380338.db2.gz OFTPRJIVACMYIO-UHFFFAOYSA-N 1 1 263.337 2.156 20 10 CECDMO Cc1cccc(C[N@@H+](C)[C@@H](C)C(=O)OC(C)C)c1O ZINC000180557299 368386361 /nfs/dbraw/zinc/38/63/61/368386361.db2.gz OZXSLWHGMXWIFZ-LBPRGKRZSA-N 1 1 265.353 2.473 20 10 CECDMO Cc1cccc(C[N@H+](C)[C@@H](C)C(=O)OC(C)C)c1O ZINC000180557299 368386367 /nfs/dbraw/zinc/38/63/67/368386367.db2.gz OZXSLWHGMXWIFZ-LBPRGKRZSA-N 1 1 265.353 2.473 20 10 CECDMO Cc1cc(Cl)cc(C[N@@H+]2CCO[C@@]3(CCOC3)C2)c1O ZINC000187536047 369174152 /nfs/dbraw/zinc/17/41/52/369174152.db2.gz XWDKPWYKKCEYHZ-HNNXBMFYSA-N 1 1 297.782 2.345 20 10 CECDMO COC(=O)[C@H]1CC[N@@H+](Cc2cc(OC)ccc2O)C[C@@H]1C ZINC000188112047 369298576 /nfs/dbraw/zinc/29/85/76/369298576.db2.gz BYWHPQACUYIVIU-FZMZJTMJSA-N 1 1 293.363 2.032 20 10 CECDMO CCCN1CCC[N@@H+](Cc2cc(C)c(C)cc2O)CC1=O ZINC000189214083 369476313 /nfs/dbraw/zinc/47/63/13/369476313.db2.gz OZDMOZYFYPDTNP-UHFFFAOYSA-N 1 1 290.407 2.453 20 10 CECDMO COC(=O)[C@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1cc(F)ccc1O ZINC000191674306 369732481 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COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC(C)(C)N(C)C)c1 ZINC000273362374 373753859 /nfs/dbraw/zinc/75/38/59/373753859.db2.gz DCYBGGDNTSYQGR-NSHDSACASA-N 1 1 294.395 2.170 20 10 CECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C2CCOCC2)c1 ZINC000273438494 373758219 /nfs/dbraw/zinc/75/82/19/373758219.db2.gz XTQREHCXYQMXHL-JTQLQIEISA-N 1 1 279.336 2.008 20 10 CECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H]2CCSC2)c1 ZINC000273460489 373760111 /nfs/dbraw/zinc/76/01/11/373760111.db2.gz IBIXVVKUFSEVKB-KOLCDFICSA-N 1 1 281.377 2.335 20 10 CECDMO Cc1nc(CC[NH2+][C@@H](C)c2cc(Cl)ccc2O)n[nH]1 ZINC000273499059 373760262 /nfs/dbraw/zinc/76/02/62/373760262.db2.gz YKGORZBAHYYAPQ-QMMMGPOBSA-N 1 1 280.759 2.365 20 10 CECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2c[nH]nc2C)c1 ZINC000273539509 373761832 /nfs/dbraw/zinc/76/18/32/373761832.db2.gz XZUXJPIYJLBESL-JTQLQIEISA-N 1 1 289.335 2.061 20 10 CECDMO Cc1cccc(C[N@H+]2CCC[C@@H](c3nnc[nH]3)C2)c1O ZINC000371433900 373879279 /nfs/dbraw/zinc/87/92/79/373879279.db2.gz YZYGVCUKROMRJB-CYBMUJFWSA-N 1 1 272.352 2.198 20 10 CECDMO COCCC[N@H+]1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000374324961 374541915 /nfs/dbraw/zinc/54/19/15/374541915.db2.gz NSLVUBYIHPPLLP-UHFFFAOYSA-N 1 1 260.381 2.488 20 10 CECDMO COC(=O)[C@]12CCC[C@H]1C[N@@H+](Cc1cc(F)ccc1O)C2 ZINC000374678424 374626824 /nfs/dbraw/zinc/62/68/24/374626824.db2.gz KFDNKOJGIMEFCV-LRDDRELGSA-N 1 1 293.338 2.306 20 10 CECDMO CC[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)CCCO1 ZINC000281113785 375355770 /nfs/dbraw/zinc/35/57/70/375355770.db2.gz BNDDLWOFBFTNRH-GFCCVEGCSA-N 1 1 279.336 2.122 20 10 CECDMO C[C@@H]([NH2+]CC1([S@](C)=O)CC1)c1ccc(F)cc1O ZINC000282315541 375454656 /nfs/dbraw/zinc/45/46/56/375454656.db2.gz NIKIGVWDMILYGB-LZVRBXCZSA-N 1 1 271.357 2.093 20 10 CECDMO CCNC(=O)C[C@@H]1CCCC[N@H+]1Cc1ccccc1O ZINC000285216165 375836409 /nfs/dbraw/zinc/83/64/09/375836409.db2.gz RMQJKMISFOPILS-AWEZNQCLSA-N 1 1 276.380 2.273 20 10 CECDMO CC[C@H]([NH2+][C@H](C)C[S@@](C)=O)c1ccc(F)cc1O ZINC000286272468 375893993 /nfs/dbraw/zinc/89/39/93/375893993.db2.gz VOYPFZPDVGEYFN-RJVCPDIVSA-N 1 1 273.373 2.339 20 10 CECDMO CCOC1CC([N@@H+](C)Cc2cc(OC)c(OC)cc2O)C1 ZINC000288713756 376381254 /nfs/dbraw/zinc/38/12/54/376381254.db2.gz VKWSNXKFQADKLH-UHFFFAOYSA-N 1 1 295.379 2.409 20 10 CECDMO COC(=O)C(C)(C)CC[NH2+]Cc1cccc(F)c1O ZINC000289370479 376393796 /nfs/dbraw/zinc/39/37/96/376393796.db2.gz LIHXUNHPBMGBIL-UHFFFAOYSA-N 1 1 269.316 2.210 20 10 CECDMO CO[C@@H]1[C@H]2C[C@H]3C[N@@H+](Cc4ccccc4O)[C@H]1[C@H]3C2 ZINC000289752878 376482888 /nfs/dbraw/zinc/48/28/88/376482888.db2.gz QRQGVONXDJKCSF-YOPIWALVSA-N 1 1 259.349 2.247 20 10 CECDMO CCOc1ccc(O)c(C[N@@H+]2C[C@@H](C)N(C)[C@@H](C)C2)c1 ZINC000293737595 377731733 /nfs/dbraw/zinc/73/17/33/377731733.db2.gz VMPDPRQIFXLZRS-BETUJISGSA-N 1 1 278.396 2.315 20 10 CECDMO CCOc1ccc(O)c(CN2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c1 ZINC000293737595 377731737 /nfs/dbraw/zinc/73/17/37/377731737.db2.gz VMPDPRQIFXLZRS-BETUJISGSA-N 1 1 278.396 2.315 20 10 CECDMO Cc1cc(C[N@H+]2CCO[C@@]3(CCOC3)C2)ccc1N(C)C ZINC000294672546 378006854 /nfs/dbraw/zinc/00/68/54/378006854.db2.gz RZFNNIQQYIBOKN-KRWDZBQOSA-N 1 1 290.407 2.052 20 10 CECDMO Cc1cc(C[N@@H+]2CC[C@H](C)[C@H]2CO)ccc1N(C)C ZINC000294757045 378017526 /nfs/dbraw/zinc/01/75/26/378017526.db2.gz YBTGOTVDDQRGPD-BLLLJJGKSA-N 1 1 262.397 2.264 20 10 CECDMO Cc1cc(C[N@@H+](C)C2(CO)CCOCC2)ccc1N(C)C ZINC000294601422 377999995 /nfs/dbraw/zinc/99/99/95/377999995.db2.gz NQHHCNXFECJEEY-UHFFFAOYSA-N 1 1 292.423 2.034 20 10 CECDMO Cc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)c1O ZINC000295042082 378035955 /nfs/dbraw/zinc/03/59/55/378035955.db2.gz OVWCMGBWMAGQGO-GOOCMWNKSA-N 1 1 260.381 2.415 20 10 CECDMO COc1cccc(C[N@H+]2CCN(C3CC3)C[C@@H](C)C2)c1O ZINC000295946708 378364683 /nfs/dbraw/zinc/36/46/83/378364683.db2.gz GREMDJIAXPEVNQ-ZDUSSCGKSA-N 1 1 290.407 2.317 20 10 CECDMO COc1cccc(CN2CC[N@@H+](C3CC3)C[C@@H](C)C2)c1O ZINC000295946708 378364689 /nfs/dbraw/zinc/36/46/89/378364689.db2.gz GREMDJIAXPEVNQ-ZDUSSCGKSA-N 1 1 290.407 2.317 20 10 CECDMO COc1cccc(CN2CC[N@H+](C3CC3)C[C@@H](C)C2)c1O ZINC000295946708 378364693 /nfs/dbraw/zinc/36/46/93/378364693.db2.gz GREMDJIAXPEVNQ-ZDUSSCGKSA-N 1 1 290.407 2.317 20 10 CECDMO COc1cccc(C[N@H+]2C[C@H](C)OC[C@@H]2C)c1O ZINC000217780678 394456286 /nfs/dbraw/zinc/45/62/86/394456286.db2.gz UHXZMTLMWQZGOA-QWRGUYRKSA-N 1 1 251.326 2.010 20 10 CECDMO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)C[C@@H](C)O ZINC000093143171 394664675 /nfs/dbraw/zinc/66/46/75/394664675.db2.gz QQESLVBHSDQWEH-CYBMUJFWSA-N 1 1 250.386 2.344 20 10 CECDMO C[C@H](O)C[C@H]1CCC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000093481987 394667190 /nfs/dbraw/zinc/66/71/90/394667190.db2.gz GBKHNOHONYHFIY-XJKSGUPXSA-N 1 1 262.397 2.488 20 10 CECDMO COc1cccc(C[N@H+]2CCOC[C@H]2C2CC2)c1O ZINC000093645668 394669195 /nfs/dbraw/zinc/66/91/95/394669195.db2.gz PWBVAJWELBKQIP-ZDUSSCGKSA-N 1 1 263.337 2.012 20 10 CECDMO COC(=O)[C@H](C)C[N@@H+](C)Cc1c(O)cccc1Cl ZINC000120610875 394781584 /nfs/dbraw/zinc/78/15/84/394781584.db2.gz HBXGOIGTMBVYJI-SECBINFHSA-N 1 1 271.744 2.287 20 10 CECDMO Cc1cccc(C[N@H+]2CC[C@@H](N3CCCC3)C2)c1O ZINC000124582745 394838860 /nfs/dbraw/zinc/83/88/60/394838860.db2.gz YYNXIVHMPBMDTK-OAHLLOKOSA-N 1 1 260.381 2.371 20 10 CECDMO Cc1cccc(CN2CC[C@@H]([NH+]3CCCC3)C2)c1O ZINC000124582745 394838862 /nfs/dbraw/zinc/83/88/62/394838862.db2.gz YYNXIVHMPBMDTK-OAHLLOKOSA-N 1 1 260.381 2.371 20 10 CECDMO COc1cc(O)c(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)cc1OC ZINC000362378577 394857359 /nfs/dbraw/zinc/85/73/59/394857359.db2.gz AEHQPRMYWHVPKE-GXTWGEPZSA-N 1 1 293.363 2.163 20 10 CECDMO COc1cc(O)c(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)cc1OC ZINC000362378577 394857362 /nfs/dbraw/zinc/85/73/62/394857362.db2.gz AEHQPRMYWHVPKE-GXTWGEPZSA-N 1 1 293.363 2.163 20 10 CECDMO COc1ccc(O)c(C[N@@H+]2CC[C@H](OC)C[C@H]2C)c1 ZINC000282127237 394910713 /nfs/dbraw/zinc/91/07/13/394910713.db2.gz BDVRIPFMPWNPSO-RISCZKNCSA-N 1 1 265.353 2.400 20 10 CECDMO CCOc1cccc(C[N@@H+]2CC[S@](=O)CC[C@H]2C)c1O ZINC000373024731 395052827 /nfs/dbraw/zinc/05/28/27/395052827.db2.gz YPIRQNBIJYXPOM-MPBGBICISA-N 1 1 297.420 2.134 20 10 CECDMO CCOc1cccc(C[N@H+]2CC[S@](=O)CC[C@H]2C)c1O ZINC000373024731 395052828 /nfs/dbraw/zinc/05/28/28/395052828.db2.gz YPIRQNBIJYXPOM-MPBGBICISA-N 1 1 297.420 2.134 20 10 CECDMO Oc1cc2c(cc1C[N@H+]1CCCO[C@H]3CCC[C@H]31)OCO2 ZINC000374256688 395077938 /nfs/dbraw/zinc/07/79/38/395077938.db2.gz WYUQPFROSRWUON-OCCSQVGLSA-N 1 1 291.347 2.264 20 10 CECDMO CC(C)N(C)C(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1O ZINC000177676258 395154486 /nfs/dbraw/zinc/15/44/86/395154486.db2.gz RHZVYSYXWARPKK-GFCCVEGCSA-N 1 1 264.369 2.079 20 10 CECDMO CC[C@@](C)(CO)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000293501223 395238230 /nfs/dbraw/zinc/23/82/30/395238230.db2.gz BLNOXBIJIUUURK-LBPRGKRZSA-N 1 1 261.724 2.435 20 10 CECDMO CN(C)c1ccc(C[N@H+]2CCC[C@H](n3cncn3)C2)cc1 ZINC000179464068 395193920 /nfs/dbraw/zinc/19/39/20/395193920.db2.gz ZKPKSOLIFBMLOS-INIZCTEOSA-N 1 1 285.395 2.181 20 10 CECDMO Cc1noc([C@H]2CCC[N@@H+](Cc3ccccc3O)C2)n1 ZINC000179562724 395195029 /nfs/dbraw/zinc/19/50/29/395195029.db2.gz CKZYPQDZSNANSD-ZDUSSCGKSA-N 1 1 273.336 2.463 20 10 CECDMO Cc1cc(C[N@@H+]2CC[S@](=O)C[C@H](C)C2)ccc1N(C)C ZINC000294121157 395266065 /nfs/dbraw/zinc/26/60/65/395266065.db2.gz NIBXQJUDRCDAGG-XCLFUZPHSA-N 1 1 294.464 2.261 20 10 CECDMO Cc1cc(C[N@H+]2CC[S@](=O)C[C@H](C)C2)ccc1N(C)C ZINC000294121157 395266068 /nfs/dbraw/zinc/26/60/68/395266068.db2.gz NIBXQJUDRCDAGG-XCLFUZPHSA-N 1 1 294.464 2.261 20 10 CECDMO C[C@H]1CCC[C@H](CO)[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000193439794 395408156 /nfs/dbraw/zinc/40/81/56/395408156.db2.gz NFULROIQMQAFPB-XJKSGUPXSA-N 1 1 262.397 2.488 20 10 CECDMO CC[C@H]([NH2+]Cc1nncn1C)c1ccc(N(C)C)cc1 ZINC000152319953 261062994 /nfs/dbraw/zinc/06/29/94/261062994.db2.gz SIDXFULVALMZLL-AWEZNQCLSA-N 1 1 273.384 2.122 20 10 CECDMO CCCC[N@@H+](CCO)Cc1cc(OCC)ccc1O ZINC000159104746 261177963 /nfs/dbraw/zinc/17/79/63/261177963.db2.gz UUHGGEFJCUFEPB-UHFFFAOYSA-N 1 1 267.369 2.385 20 10 CECDMO COc1cc(O)c(C[N@@H+]2CCO[C@@H](C)[C@@H]2C)cc1OC ZINC000160431920 261214262 /nfs/dbraw/zinc/21/42/62/261214262.db2.gz BCNOQCBPZBMSJE-QWRGUYRKSA-N 1 1 281.352 2.019 20 10 CECDMO COc1cc(O)c(C[N@H+]2CCO[C@@H](C)[C@@H]2C)cc1OC ZINC000160431920 261214264 /nfs/dbraw/zinc/21/42/64/261214264.db2.gz BCNOQCBPZBMSJE-QWRGUYRKSA-N 1 1 281.352 2.019 20 10 CECDMO Oc1cc2c(cc1C[N@H+]1CCOC3(CCCC3)C1)OCO2 ZINC000164480634 261353163 /nfs/dbraw/zinc/35/31/63/261353163.db2.gz QTTAZABNXYDKKX-UHFFFAOYSA-N 1 1 291.347 2.266 20 10 CECDMO C[C@H]([NH2+]C[C@]1(O)CCSC1)c1ccc(F)cc1O ZINC000185638561 262063716 /nfs/dbraw/zinc/06/37/16/262063716.db2.gz DEMAPXIBIRHHRR-TVQRCGJNSA-N 1 1 271.357 2.050 20 10 CECDMO COc1cc(O)c(C[N@@H+]2CC[C@H](OC)C[C@H]2C)cc1OC ZINC000282364312 263076223 /nfs/dbraw/zinc/07/62/23/263076223.db2.gz PVYMTIWKKMZDDS-YPMHNXCESA-N 1 1 295.379 2.409 20 10 CECDMO C[C@@H](C[S@@](C)=O)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000293717711 264972946 /nfs/dbraw/zinc/97/29/46/264972946.db2.gz VGZYWVJUHSIOPK-BWKAKNAASA-N 1 1 279.764 2.041 20 10 CECDMO CN(C)c1ccc(C[N@H+]2CC[C@](O)(C3CC3)C2)cc1F ZINC000369676695 267260114 /nfs/dbraw/zinc/26/01/14/267260114.db2.gz RRFLYMWBFQQLFG-MRXNPFEDSA-N 1 1 278.371 2.239 20 10 CECDMO COC(=O)[C@H](C)C[N@H+]1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000370736264 267343125 /nfs/dbraw/zinc/34/31/25/267343125.db2.gz BZGNFRHPIOJUHC-CYBMUJFWSA-N 1 1 288.391 2.261 20 10 CECDMO NC(=O)C[C@H]1CC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000377193060 268054841 /nfs/dbraw/zinc/05/48/41/268054841.db2.gz OLQPKPJLHHQPBI-GFCCVEGCSA-N 1 1 284.359 2.243 20 10 CECDMO COc1cccc(C[N@@H+]2CCC[C@H](OC)CC2)c1O ZINC000377243200 268059155 /nfs/dbraw/zinc/05/91/55/268059155.db2.gz ISCLNEFHDCXKMV-ZDUSSCGKSA-N 1 1 265.353 2.402 20 10 CECDMO Cc1cc(O)c(C[N@@H+]2CC[S@@](=O)CC[C@H]2C)cc1C ZINC000377305710 329010734 /nfs/dbraw/zinc/01/07/34/329010734.db2.gz MPOZBEMUNUWVFF-YJYMSZOUSA-N 1 1 281.421 2.352 20 10 CECDMO COc1ccc(N2CCC[N@H+](C[C@@H](C)OC)CC2)cc1 ZINC000182076718 329239395 /nfs/dbraw/zinc/23/93/95/329239395.db2.gz IVORZGSDZICGAR-CQSZACIVSA-N 1 1 278.396 2.242 20 10 CECDMO Oc1c(F)cccc1CN1CCC[N@H+]2CCC[C@H]2C1 ZINC000252762847 334391074 /nfs/dbraw/zinc/39/10/74/334391074.db2.gz DVCAGIYYYGPJCU-ZDUSSCGKSA-N 1 1 264.344 2.201 20 10 CECDMO CC(C)(C)[C@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)CCO1 ZINC000279792013 518980673 /nfs/dbraw/zinc/98/06/73/518980673.db2.gz OKDWTLREMRQNHL-OAHLLOKOSA-N 1 1 293.363 2.368 20 10 CECDMO CC(C)CO[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000120950794 519760244 /nfs/dbraw/zinc/76/02/44/519760244.db2.gz JFAFZSVWSKRSEA-CYBMUJFWSA-N 1 1 293.363 2.368 20 10 CECDMO CC[NH+](CC)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278274771 520755391 /nfs/dbraw/zinc/75/53/91/520755391.db2.gz SAYCXIDQRUZHQB-UHFFFAOYSA-N 1 1 254.286 2.151 20 10 CECDMO CC[N@@H+](CCC(=O)OC)Cc1ccc(N(C)C)c(F)c1 ZINC000130492941 520993076 /nfs/dbraw/zinc/99/30/76/520993076.db2.gz DPMJDAOPNOXDBT-UHFFFAOYSA-N 1 1 282.359 2.277 20 10 CECDMO CCOc1ccc(O)c(CN2CC[NH+](C3CC3)CC2)c1 ZINC000127944689 521144942 /nfs/dbraw/zinc/14/49/42/521144942.db2.gz HEHJNDRCGQQEOY-UHFFFAOYSA-N 1 1 276.380 2.071 20 10 CECDMO CCOc1ccc(O)c(C[N@@H+]2CC[C@]3(CCN(C)C3)C2)c1 ZINC000292802294 521147322 /nfs/dbraw/zinc/14/73/22/521147322.db2.gz NSKDGNRXRTZUKA-KRWDZBQOSA-N 1 1 290.407 2.319 20 10 CECDMO CCOc1ccc(O)c(C[N@H+]2CC[C@]3(CCN(C)C3)C2)c1 ZINC000292802294 521147329 /nfs/dbraw/zinc/14/73/29/521147329.db2.gz NSKDGNRXRTZUKA-KRWDZBQOSA-N 1 1 290.407 2.319 20 10 CECDMO CCOc1ccc(O)c(CN2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000292802294 521147334 /nfs/dbraw/zinc/14/73/34/521147334.db2.gz NSKDGNRXRTZUKA-KRWDZBQOSA-N 1 1 290.407 2.319 20 10 CECDMO CCOc1ccc(O)c(CN2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000292802294 521147344 /nfs/dbraw/zinc/14/73/44/521147344.db2.gz NSKDGNRXRTZUKA-KRWDZBQOSA-N 1 1 290.407 2.319 20 10 CECDMO CCc1nnc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)[nH]1 ZINC000275026440 522352109 /nfs/dbraw/zinc/35/21/09/522352109.db2.gz VIRILXUFRVCXGT-LLVKDONJSA-N 1 1 273.384 2.284 20 10 CECDMO 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/nfs/dbraw/zinc/82/44/30/633824430.db2.gz UFNNYIZWZVEVQT-MDZLAQPJSA-N 1 1 294.370 2.048 20 10 CECDMO CN1CCN(c2ccc(C[NH2+][C@H]3CC34CC4)cc2)CC1 ZINC000818230186 633890477 /nfs/dbraw/zinc/89/04/77/633890477.db2.gz OAILWZZSEBDNBE-INIZCTEOSA-N 1 1 271.408 2.081 20 10 CECDMO C[C@@H]([NH2+]CC[C@H](O)C1CC1)c1c(O)cccc1F ZINC000903411055 635105318 /nfs/dbraw/zinc/10/53/18/635105318.db2.gz LMIHQEVMQFWEPR-SKDRFNHKSA-N 1 1 253.317 2.343 20 10 CECDMO Cc1cc(O)c(C[N@H+]2CCC[C@H](OCCO)C2)cc1Cl ZINC000824767789 635494897 /nfs/dbraw/zinc/49/48/97/635494897.db2.gz AXVDPMRXZICTIW-ZDUSSCGKSA-N 1 1 299.798 2.327 20 10 CECDMO COc1cc(Cl)cc(CN2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)c1O ZINC000824893029 635519298 /nfs/dbraw/zinc/51/92/98/635519298.db2.gz IXUSZQYJGQMDEW-GXFFZTMASA-N 1 1 296.798 2.190 20 10 CECDMO Cc1cccc(C[N@@H+](CCO)C2CCSCC2)c1O ZINC000825133709 635575921 /nfs/dbraw/zinc/57/59/21/635575921.db2.gz LJPHDXGNUVRLIM-UHFFFAOYSA-N 1 1 281.421 2.391 20 10 CECDMO COc1ccc(O)c(C[N@H+]2CCC[C@@]3(CCOC3)C2)c1 ZINC000825133468 635576471 /nfs/dbraw/zinc/57/64/71/635576471.db2.gz GQFYFBWBLVXCDF-MRXNPFEDSA-N 1 1 277.364 2.403 20 10 CECDMO [NH3+]CC[C@@H]1CC[N@@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000904405801 635612375 /nfs/dbraw/zinc/61/23/75/635612375.db2.gz PTWGAQFCZWSIDS-SECBINFHSA-N 1 1 272.751 2.355 20 10 CECDMO C[C@@H]1C[N@H+](Cc2c([O-])cccc2Cl)CC[C@@H]1C[NH3+] ZINC000904410440 635616706 /nfs/dbraw/zinc/61/67/06/635616706.db2.gz DLRKRPJVPQUTQV-GHMZBOCLSA-N 1 1 268.788 2.462 20 10 CECDMO C[C@@H]1C[N@@H+](Cc2c([O-])cccc2Cl)CC[C@@H]1C[NH3+] ZINC000904410440 635616708 /nfs/dbraw/zinc/61/67/08/635616708.db2.gz DLRKRPJVPQUTQV-GHMZBOCLSA-N 1 1 268.788 2.462 20 10 CECDMO CC1(C)CCC[N@@H+]1CCNCc1cc(F)ccc1O ZINC000825326562 635616975 /nfs/dbraw/zinc/61/69/75/635616975.db2.gz NLHNOMVGAWBDNV-UHFFFAOYSA-N 1 1 266.360 2.495 20 10 CECDMO CC1(C)CCC[N@H+]1CCNCc1cc(F)ccc1O ZINC000825326562 635616991 /nfs/dbraw/zinc/61/69/91/635616991.db2.gz NLHNOMVGAWBDNV-UHFFFAOYSA-N 1 1 266.360 2.495 20 10 CECDMO COc1ccc(O)c(CNCC[N@@H+]2CCCC2(C)C)c1 ZINC000825325398 635617438 /nfs/dbraw/zinc/61/74/38/635617438.db2.gz CGCBMRWMTMWXBX-UHFFFAOYSA-N 1 1 278.396 2.365 20 10 CECDMO COc1ccc(O)c(CNCC[N@H+]2CCCC2(C)C)c1 ZINC000825325398 635617440 /nfs/dbraw/zinc/61/74/40/635617440.db2.gz CGCBMRWMTMWXBX-UHFFFAOYSA-N 1 1 278.396 2.365 20 10 CECDMO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1C[C@H](C)n2ncnc21 ZINC000826889073 635872172 /nfs/dbraw/zinc/87/21/72/635872172.db2.gz QMZLNQZIGACEKV-SWLSCSKDSA-N 1 1 285.395 2.448 20 10 CECDMO CN1CC(C[N@@H+](C)Cc2c(O)cccc2Cl)C1 ZINC000827125436 636225287 /nfs/dbraw/zinc/22/52/87/636225287.db2.gz KPWNYGRRLRAPTB-UHFFFAOYSA-N 1 1 254.761 2.039 20 10 CECDMO CCOc1ccc(O)c(C[N@@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)c1 ZINC000827151442 636238174 /nfs/dbraw/zinc/23/81/74/636238174.db2.gz BEHKENYUCFGNEH-ATCWAGBWSA-N 1 1 279.380 2.240 20 10 CECDMO CCOc1ccc(C[N@H+]2CC[C@@H]3COC[C@H]3C2)c(O)c1 ZINC000827594771 636361903 /nfs/dbraw/zinc/36/19/03/636361903.db2.gz JMAAWGQMYZFOMD-ZIAGYGMSSA-N 1 1 277.364 2.259 20 10 CECDMO CCOc1ccc(O)c(C[N@H+]2CCC3(COC3)C2)c1 ZINC000827646064 636375247 /nfs/dbraw/zinc/37/52/47/636375247.db2.gz YZEYIUBKEPISLO-UHFFFAOYSA-N 1 1 263.337 2.013 20 10 CECDMO Cc1cccc(C[N@@H+]2CCC[C@@H](C(=O)NC(C)C)C2)c1O ZINC000827680970 636387246 /nfs/dbraw/zinc/38/72/46/636387246.db2.gz RPYZSDDNYWRRPO-OAHLLOKOSA-N 1 1 290.407 2.437 20 10 CECDMO Cc1cc(N(C)C)ccc1C[N@@H+]1CCc2nccnc2C1 ZINC000827686906 636391276 /nfs/dbraw/zinc/39/12/76/636391276.db2.gz GWNYGEZTAVIEHP-UHFFFAOYSA-N 1 1 282.391 2.409 20 10 CECDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCc2nccnc2C1 ZINC000827686906 636391285 /nfs/dbraw/zinc/39/12/85/636391285.db2.gz GWNYGEZTAVIEHP-UHFFFAOYSA-N 1 1 282.391 2.409 20 10 CECDMO COc1cc(C)cc(C[N@H+]2CCO[C@@H](C)CC2)c1O ZINC000905737308 636423441 /nfs/dbraw/zinc/42/34/41/636423441.db2.gz GPECCHAZNKXIHF-LBPRGKRZSA-N 1 1 265.353 2.320 20 10 CECDMO Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H](C)c1ccccc1O)CC2 ZINC000827963802 636471920 /nfs/dbraw/zinc/47/19/20/636471920.db2.gz AUXFTZUGNQXXFG-AAEUAGOBSA-N 1 1 299.374 2.337 20 10 CECDMO CCCC[N@H+](Cc1ccccc1O)C[C@H]1COCCO1 ZINC000829516013 636873194 /nfs/dbraw/zinc/87/31/94/636873194.db2.gz MPTBWFTYDCTXCA-HNNXBMFYSA-N 1 1 279.380 2.410 20 10 CECDMO CCN(CC)C(=O)C[N@@H+](C)Cc1ccc(C)cc1O ZINC000876511642 650297051 /nfs/dbraw/zinc/29/70/51/650297051.db2.gz QJDCPOFESJATHL-UHFFFAOYSA-N 1 1 264.369 2.001 20 10 CECDMO CCC[N@@H+](Cc1ccc(C)cc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000876537849 650311085 /nfs/dbraw/zinc/31/10/85/650311085.db2.gz FSVVBHXYSLULLF-CQSZACIVSA-N 1 1 297.420 2.100 20 10 CECDMO CCC(=O)N1CCC[N@@H+](Cc2c(C)cccc2O)CC1 ZINC000876625144 650366077 /nfs/dbraw/zinc/36/60/77/650366077.db2.gz VYQNHTKBHWXXEE-UHFFFAOYSA-N 1 1 276.380 2.145 20 10 CECDMO CCC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2O)CC1 ZINC000876625409 650366221 /nfs/dbraw/zinc/36/62/21/650366221.db2.gz ZLIMJVDMLFCYBU-UHFFFAOYSA-N 1 1 276.380 2.145 20 10 CECDMO CC[N@H+]1CCCN(C(=O)C2=CC(=O)CS2)[C@H](C)C1 ZINC000910275446 637969822 /nfs/dbraw/zinc/96/98/22/637969822.db2.gz VSHVSLJWDHCVAV-SNVBAGLBSA-N 1 1 268.382 2.010 20 10 CECDMO CC(C)C[N@@H+](C/C=C/c1ccc(N(C)C)cc1)CC(N)=O ZINC000835025442 638029492 /nfs/dbraw/zinc/02/94/92/638029492.db2.gz IROFDAINHWYTGD-AATRIKPKSA-N 1 1 289.423 2.209 20 10 CECDMO CNC(=O)CCC[N@@H+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835029703 638030239 /nfs/dbraw/zinc/03/02/39/638030239.db2.gz WGOSTMUGTCVHDN-FNORWQNLSA-N 1 1 289.423 2.224 20 10 CECDMO Cc1nc(CC[N@H+](C)Cc2ccc(C)cc2O)no1 ZINC000876673618 650393457 /nfs/dbraw/zinc/39/34/57/650393457.db2.gz ZOZIUSGAFSLRSE-UHFFFAOYSA-N 1 1 261.325 2.067 20 10 CECDMO C[N@H+]1CCN(Cc2ccc(F)c(F)c2[O-])C(C)(C)C1 ZINC000876747237 650417055 /nfs/dbraw/zinc/41/70/55/650417055.db2.gz YSHCXQFAKUXSMW-UHFFFAOYSA-N 1 1 270.323 2.196 20 10 CECDMO COC(=O)[C@]1(C)CC[N@@H+](Cc2ccc(C)cc2O)C1 ZINC000876782185 650429341 /nfs/dbraw/zinc/42/93/41/650429341.db2.gz NBYMTYQQEFERIC-OAHLLOKOSA-N 1 1 263.337 2.086 20 10 CECDMO Cc1ccc(C[N@@H+](C)[C@H](C)C(=O)OC(C)C)c(O)c1 ZINC000876779505 650429360 /nfs/dbraw/zinc/42/93/60/650429360.db2.gz HMYDQGZCVKMMNU-GFCCVEGCSA-N 1 1 265.353 2.473 20 10 CECDMO Cc1ccc(C[N@H+](C)[C@H](C)C(=O)OC(C)C)c(O)c1 ZINC000876779505 650429361 /nfs/dbraw/zinc/42/93/61/650429361.db2.gz HMYDQGZCVKMMNU-GFCCVEGCSA-N 1 1 265.353 2.473 20 10 CECDMO Cc1cccc(O)c1C[N@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000876814442 650443793 /nfs/dbraw/zinc/44/37/93/650443793.db2.gz MEZCZVLFKBEHCU-CQSZACIVSA-N 1 1 286.379 2.204 20 10 CECDMO C[C@H]1COCC[N@H+]1Cc1c(O)ccc2ccncc21 ZINC000046478109 639550746 /nfs/dbraw/zinc/55/07/46/639550746.db2.gz GORHWXPCSBIHCA-NSHDSACASA-N 1 1 258.321 2.161 20 10 CECDMO CC(C)NC(=O)[C@H](C)[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000840892044 639575290 /nfs/dbraw/zinc/57/52/90/639575290.db2.gz XKRAPBNOOYUUOR-BDAKNGLRSA-N 1 1 286.322 2.234 20 10 CECDMO CNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC000840914857 639584702 /nfs/dbraw/zinc/58/47/02/639584702.db2.gz HHLXAPTYHHAURI-HNNXBMFYSA-N 1 1 289.423 2.019 20 10 CECDMO CNC(=O)[C@@H](C)C[N@@H+](C)Cc1c(O)cc(C)cc1Cl ZINC000840922096 639587103 /nfs/dbraw/zinc/58/71/03/639587103.db2.gz HZTUPCDAPUJQRC-JTQLQIEISA-N 1 1 284.787 2.168 20 10 CECDMO COc1ccc(O)c(C[N@H+]2CCO[C@@H](C3CCC3)C2)c1 ZINC000840954128 639598865 /nfs/dbraw/zinc/59/88/65/639598865.db2.gz GWOYMIZGMFFRQM-MRXNPFEDSA-N 1 1 277.364 2.402 20 10 CECDMO CCOc1ccc(C[N@H+]2CCC[C@H](CO)[C@@H]2C)c(O)c1 ZINC000840977467 639606927 /nfs/dbraw/zinc/60/69/27/639606927.db2.gz IHIGSUCJVVZIRP-GXTWGEPZSA-N 1 1 279.380 2.384 20 10 CECDMO COc1cc(O)c(C[N@H+]2CCC[C@@H](CO)[C@H]2C)cc1OC ZINC000840979893 639608460 /nfs/dbraw/zinc/60/84/60/639608460.db2.gz VKSDWLJPABONDV-NEPJUHHUSA-N 1 1 295.379 2.002 20 10 CECDMO CN(C)c1ccc(CN[C@@H]2CCC[NH2+]CC2)cc1F ZINC000841058587 639635583 /nfs/dbraw/zinc/63/55/83/639635583.db2.gz TYVVRHWYNYRDSA-CYBMUJFWSA-N 1 1 265.376 2.123 20 10 CECDMO [O-]c1ccc(Br)cc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000841057345 639635612 /nfs/dbraw/zinc/63/56/12/639635612.db2.gz IZPXJSABJMYSBG-GFCCVEGCSA-N 1 1 299.212 2.386 20 10 CECDMO C[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])CC[NH2+]1 ZINC000841061852 639638295 /nfs/dbraw/zinc/63/82/95/639638295.db2.gz OARFNGNAQRTRJH-CABZTGNLSA-N 1 1 254.761 2.276 20 10 CECDMO [NH3+]CC[C@@H](NCc1cc(Cl)cc(F)c1O)C(F)F ZINC000841073642 639643490 /nfs/dbraw/zinc/64/34/90/639643490.db2.gz IZIAJOFLIULCTA-SECBINFHSA-N 1 1 282.693 2.257 20 10 CECDMO CCN(CC)c1ccc(CNC[C@@H]2C[C@H](F)C[NH2+]2)cc1 ZINC000841079083 639647095 /nfs/dbraw/zinc/64/70/95/639647095.db2.gz KHGSQILALBSUCS-GJZGRUSLSA-N 1 1 279.403 2.322 20 10 CECDMO COc1cc(Cl)cc(C[N@@H+](C)[C@@H]2CCOC2)c1O ZINC000228660241 639650596 /nfs/dbraw/zinc/65/05/96/639650596.db2.gz PEDBFOPQOTXOQR-LLVKDONJSA-N 1 1 271.744 2.275 20 10 CECDMO CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(F)c(F)c2[O-])C1 ZINC000876989059 650521771 /nfs/dbraw/zinc/52/17/71/650521771.db2.gz SVQXXCZQUPNLKU-LLVKDONJSA-N 1 1 284.350 2.492 20 10 CECDMO COC[C@](C)(O)CC[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841752614 639858579 /nfs/dbraw/zinc/85/85/79/639858579.db2.gz BWFWOTNOLAIFGS-IINYFYTJSA-N 1 1 287.787 2.484 20 10 CECDMO C[C@@H]([NH2+]CCCOCCO)c1ccc(Cl)cc1O ZINC000841751693 639858673 /nfs/dbraw/zinc/85/86/73/639858673.db2.gz BTZGGBUSGZMJRR-SNVBAGLBSA-N 1 1 273.760 2.095 20 10 CECDMO CC[C@@H](C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1)OC ZINC000842146918 639965859 /nfs/dbraw/zinc/96/58/59/639965859.db2.gz FBLPZSBACHXBMO-KRWDZBQOSA-N 1 1 292.423 2.380 20 10 CECDMO C[C@H]([NH2+]CCCc1ncn(C)n1)c1ccc(Cl)cc1O ZINC000842899571 640215866 /nfs/dbraw/zinc/21/58/66/640215866.db2.gz BERQYDGXHOQZIV-JTQLQIEISA-N 1 1 294.786 2.458 20 10 CECDMO CN(Cc1c(O)ccc(Cl)c1F)C1CC[NH2+]CC1 ZINC000843044634 640250246 /nfs/dbraw/zinc/25/02/46/640250246.db2.gz DEYPJWZMUZHKHT-UHFFFAOYSA-N 1 1 272.751 2.369 20 10 CECDMO [NH3+]C[C@H]1CCC[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000843046834 640251475 /nfs/dbraw/zinc/25/14/75/640251475.db2.gz BVWFONUPOAPGPB-SECBINFHSA-N 1 1 299.758 2.125 20 10 CECDMO [NH3+]C[C@H]1CCC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000843046834 640251478 /nfs/dbraw/zinc/25/14/78/640251478.db2.gz BVWFONUPOAPGPB-SECBINFHSA-N 1 1 299.758 2.125 20 10 CECDMO C[NH2+][C@@H]1CCCN(Cc2cccc(Br)c2O)C1 ZINC000843048829 640253861 /nfs/dbraw/zinc/25/38/61/640253861.db2.gz ZQQSOJAVSWKCAC-LLVKDONJSA-N 1 1 299.212 2.339 20 10 CECDMO Oc1c(Cl)cccc1CN1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000843104852 640282401 /nfs/dbraw/zinc/28/24/01/640282401.db2.gz CBIKIVDZRSDAKN-TXEJJXNPSA-N 1 1 266.772 2.372 20 10 CECDMO C[C@@]1(C[NH3+])CC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000843114533 640285517 /nfs/dbraw/zinc/28/55/17/640285517.db2.gz CYUXWNXMMZJRRX-ZDUSSCGKSA-N 1 1 299.212 2.325 20 10 CECDMO C[C@@]1(F)C[NH2+]CCN(Cc2cccc(Cl)c2O)C1 ZINC000843125357 640292318 /nfs/dbraw/zinc/29/23/18/640292318.db2.gz TXFPZFMGYXZUAB-CYBMUJFWSA-N 1 1 272.751 2.179 20 10 CECDMO CC(=O)c1cc(Cl)cc(C[N@H+](C)CCC[NH3+])c1[O-] ZINC000843351490 640399753 /nfs/dbraw/zinc/39/97/53/640399753.db2.gz XRZPQEJERFHAKB-UHFFFAOYSA-N 1 1 270.760 2.029 20 10 CECDMO CC(=O)c1cc(Cl)cc(C[N@@H+](C)CCC[NH3+])c1[O-] ZINC000843351490 640399756 /nfs/dbraw/zinc/39/97/56/640399756.db2.gz XRZPQEJERFHAKB-UHFFFAOYSA-N 1 1 270.760 2.029 20 10 CECDMO Cc1cccc(C[N@H+]2CC[C@H](Nc3ncccn3)C2)c1O ZINC000843414957 640420573 /nfs/dbraw/zinc/42/05/73/640420573.db2.gz PBCJMZPKQUSRRI-AWEZNQCLSA-N 1 1 284.363 2.177 20 10 CECDMO C[C@H](CNC(=O)Cc1ccc(N)cc1)[N@H+]1CCCC[C@H]1C ZINC000844171222 640623204 /nfs/dbraw/zinc/62/32/04/640623204.db2.gz HABVOROWJKVLDT-ZIAGYGMSSA-N 1 1 289.423 2.190 20 10 CECDMO COc1ccc(N(C)CC[N@H+](C)C[C@@H](OC)C2CC2)cc1 ZINC000844402272 640709190 /nfs/dbraw/zinc/70/91/90/640709190.db2.gz RGRPVPSDIQQPNV-QGZVFWFLSA-N 1 1 292.423 2.488 20 10 CECDMO CC(=O)c1cc(Cl)cc(C[N@H+](C)[C@@H](C)CCO)c1[O-] ZINC000844446512 640728443 /nfs/dbraw/zinc/72/84/43/640728443.db2.gz HSCQJRUKOQIIHN-VIFPVBQESA-N 1 1 285.771 2.451 20 10 CECDMO CC(=O)c1cc(Cl)cc(C[N@@H+](C)[C@@H](C)CCO)c1O ZINC000844446512 640728447 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C[C@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2)[C@@H]1CN ZINC000070175326 641642163 /nfs/dbraw/zinc/64/21/63/641642163.db2.gz OMHOTDWAVXAHRA-XJKSGUPXSA-N 1 1 261.413 2.312 20 10 CECDMO COc1cccc(C[N@H+]2CCN(C)C[C@H]2C(C)C)c1O ZINC000184737418 641898774 /nfs/dbraw/zinc/89/87/74/641898774.db2.gz NSDLIYCTELOAPL-AWEZNQCLSA-N 1 1 278.396 2.173 20 10 CECDMO COc1cccc(CN2CC[N@H+](C)C[C@H]2C(C)C)c1O ZINC000184737418 641898776 /nfs/dbraw/zinc/89/87/76/641898776.db2.gz NSDLIYCTELOAPL-AWEZNQCLSA-N 1 1 278.396 2.173 20 10 CECDMO COc1cccc(CN2CC[N@@H+](C)C[C@H]2C(C)C)c1O ZINC000184737418 641898780 /nfs/dbraw/zinc/89/87/80/641898780.db2.gz NSDLIYCTELOAPL-AWEZNQCLSA-N 1 1 278.396 2.173 20 10 CECDMO CCOCC[NH+]1CCN(Cc2cccc(CC)c2O)CC1 ZINC000848880085 642168373 /nfs/dbraw/zinc/16/83/73/642168373.db2.gz CRNUHGGAZGJQGB-UHFFFAOYSA-N 1 1 292.423 2.109 20 10 CECDMO CCc1cccc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)c1O ZINC000848905804 642182661 /nfs/dbraw/zinc/18/26/61/642182661.db2.gz OKRVOMPNYNQXHA-NWANDNLSSA-N 1 1 288.391 2.040 20 10 CECDMO CCC[C@@]1(C)C(=O)NCC[N@@H+]1Cc1cccc(CC)c1O ZINC000848906473 642183230 /nfs/dbraw/zinc/18/32/30/642183230.db2.gz WTZZQSVEJHWASF-KRWDZBQOSA-N 1 1 290.407 2.445 20 10 CECDMO CCc1cccc(C[N@H+]2CC[S@](=O)C[C@H](C)C2)c1O ZINC000848907303 642183874 /nfs/dbraw/zinc/18/38/74/642183874.db2.gz LDFJJORYLUQPLV-BLVKFPJESA-N 1 1 281.421 2.155 20 10 CECDMO CCc1cccc(C[N@H+]2CCO[C@@]3(CCO[C@H]3C)C2)c1O ZINC000848908382 642183933 /nfs/dbraw/zinc/18/39/33/642183933.db2.gz SHBWRCFMGLZWBO-GUYCJALGSA-N 1 1 291.391 2.334 20 10 CECDMO CCc1cccc(C[N@H+]2CC[C@H](OC(=O)N(C)C)C2)c1O ZINC000848915479 642188487 /nfs/dbraw/zinc/18/84/87/642188487.db2.gz IEXNAJLMDWAHGT-AWEZNQCLSA-N 1 1 292.379 2.227 20 10 CECDMO c1cc(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc2c1OCC2 ZINC000108098113 642226101 /nfs/dbraw/zinc/22/61/01/642226101.db2.gz RUIHHLKIMKYEFW-JKSUJKDBSA-N 1 1 272.392 2.338 20 10 CECDMO c1cc(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc2c1OCC2 ZINC000108098113 642226107 /nfs/dbraw/zinc/22/61/07/642226107.db2.gz RUIHHLKIMKYEFW-JKSUJKDBSA-N 1 1 272.392 2.338 20 10 CECDMO Cc1ccc(C[N@@H+]2C[C@H](C)OC3(CCOCC3)C2)c(O)c1 ZINC000877485704 650744801 /nfs/dbraw/zinc/74/48/01/650744801.db2.gz DJDBLQXUUUNDOD-AWEZNQCLSA-N 1 1 291.391 2.471 20 10 CECDMO Cc1ccc(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)c(O)c1 ZINC000877487039 650745588 /nfs/dbraw/zinc/74/55/88/650745588.db2.gz UBSHXDBPRRLSAR-VBQJREDUSA-N 1 1 291.391 2.469 20 10 CECDMO Cc1cccc(O)c1C[N@H+](CCN(C)C)C[C@H]1CCCO1 ZINC000877525238 650765763 /nfs/dbraw/zinc/76/57/63/650765763.db2.gz WESBRJDYBFODNN-OAHLLOKOSA-N 1 1 292.423 2.243 20 10 CECDMO Cc1cccc(O)c1C[N@@H+](CCN(C)C)C[C@H]1CCCO1 ZINC000877525238 650765765 /nfs/dbraw/zinc/76/57/65/650765765.db2.gz WESBRJDYBFODNN-OAHLLOKOSA-N 1 1 292.423 2.243 20 10 CECDMO C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)c2ncnn21 ZINC000850352251 642678055 /nfs/dbraw/zinc/67/80/55/642678055.db2.gz PQDLKQXWLBSSIU-ZWNOBZJWSA-N 1 1 270.336 2.009 20 10 CECDMO C[C@H]1COC[C@H]1[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000922641128 643180098 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643641812 /nfs/dbraw/zinc/64/18/12/643641812.db2.gz TXTLZKRIYZBSER-HNNXBMFYSA-N 1 1 261.413 2.102 20 10 CECDMO COc1cc(O)c(C[N@H+]2CC[C@H]3C[C@H]3C2)cc1OC ZINC000853576796 643818543 /nfs/dbraw/zinc/81/85/43/643818543.db2.gz QVJWWQKMDVOEAU-QWRGUYRKSA-N 1 1 263.337 2.251 20 10 CECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2cnc(C)o2)c1 ZINC000840794097 643971496 /nfs/dbraw/zinc/97/14/96/643971496.db2.gz CRTIEIFWDXZLMG-SECBINFHSA-N 1 1 290.319 2.326 20 10 CECDMO C[N@H+]1CC[C@@H]2CN(Cc3cc(F)ccc3O)CC[C@H]21 ZINC000877740972 650884420 /nfs/dbraw/zinc/88/44/20/650884420.db2.gz LQCKYKDOHHGJFE-BXUZGUMPSA-N 1 1 264.344 2.057 20 10 CECDMO CCOc1ccc(CN2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c(O)c1 ZINC000877744386 650890224 /nfs/dbraw/zinc/89/02/24/650890224.db2.gz SIKAAYUPYBLJBJ-CZUORRHYSA-N 1 1 290.407 2.317 20 10 CECDMO COCCCOC1C[NH+](Cc2cc(C)c(C)cc2O)C1 ZINC000839134673 644170401 /nfs/dbraw/zinc/17/04/01/644170401.db2.gz SIFRVBHETCWFJK-UHFFFAOYSA-N 1 1 279.380 2.246 20 10 CECDMO C[NH+]1CCN(c2ccc(CN3CC(C(F)F)C3)cc2)CC1 ZINC000839141035 644172058 /nfs/dbraw/zinc/17/20/58/644172058.db2.gz LOXZPRFUEZFKKV-UHFFFAOYSA-N 1 1 295.377 2.135 20 10 CECDMO C[C@@H]1CC(=O)N(C[N@H+](C)Cc2ccc(N(C)C)cc2)C1 ZINC000113238684 644299431 /nfs/dbraw/zinc/29/94/31/644299431.db2.gz MAEUOTAWXODXLN-CYBMUJFWSA-N 1 1 275.396 2.010 20 10 CECDMO C[C@@H]1CC(=O)N(C[N@@H+](C)Cc2ccc(N(C)C)cc2)C1 ZINC000113238684 644299436 /nfs/dbraw/zinc/29/94/36/644299436.db2.gz MAEUOTAWXODXLN-CYBMUJFWSA-N 1 1 275.396 2.010 20 10 CECDMO C[C@@H]([NH2+]CCOC[C@H]1CCOC1)c1ccc(F)cc1O ZINC000756563003 644667867 /nfs/dbraw/zinc/66/78/67/644667867.db2.gz KXAGTDVJUXSZQR-NEPJUHHUSA-N 1 1 283.343 2.235 20 10 CECDMO C[C@@H]([NH2+]CCOC[C@@H]1CCCO1)c1ccc(F)cc1O ZINC000756583314 644671792 /nfs/dbraw/zinc/67/17/92/644671792.db2.gz NBCXCZNKLXAJLV-YPMHNXCESA-N 1 1 283.343 2.378 20 10 CECDMO C[C@H]([NH2+]C[C@@]1(O)CCSC1)c1cc(F)cc(F)c1O ZINC000756639200 644676579 /nfs/dbraw/zinc/67/65/79/644676579.db2.gz YUJFATKZMUCNSH-SDBXPKJASA-N 1 1 289.347 2.189 20 10 CECDMO CC(C)N1CC[C@@H]([NH2+][C@@H](C)c2cc(F)cc(F)c2O)C1=O ZINC000756708262 644684120 /nfs/dbraw/zinc/68/41/20/644684120.db2.gz BFPVFCMPDCKRGZ-TVQRCGJNSA-N 1 1 298.333 2.330 20 10 CECDMO C[C@H]([NH2+][C@@H](CCO)C1CC1)c1ccc(F)cc1O ZINC000756741958 644688679 /nfs/dbraw/zinc/68/86/79/644688679.db2.gz ZCNAHPBJGXSIAD-ZANVPECISA-N 1 1 253.317 2.343 20 10 CECDMO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000756775751 644691672 /nfs/dbraw/zinc/69/16/72/644691672.db2.gz SMZXVZOWZUCGDC-BIMULSAOSA-N 1 1 280.343 2.097 20 10 CECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CCO[C@@H](C)C2)c1 ZINC000756782076 644692431 /nfs/dbraw/zinc/69/24/31/644692431.db2.gz MJRNASVXYGUXLV-GMXVVIOVSA-N 1 1 293.363 2.397 20 10 CECDMO C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000843058314 644773154 /nfs/dbraw/zinc/77/31/54/644773154.db2.gz RNUKOFMVILZBED-IUCAKERBSA-N 1 1 299.758 2.123 20 10 CECDMO CCOc1cccc(C[N@H+]2CC[C@H](C)[C@@H](CO)C2)c1O ZINC000857061970 644805646 /nfs/dbraw/zinc/80/56/46/644805646.db2.gz XESQPEPROHZYGH-GXTWGEPZSA-N 1 1 279.380 2.241 20 10 CECDMO C[C@H](C[S@@](C)=O)[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000757654496 644831686 /nfs/dbraw/zinc/83/16/86/644831686.db2.gz ASJRBSFPSUVQLQ-VUNLKDGVSA-N 1 1 277.336 2.088 20 10 CECDMO COC(=O)C1=CC[C@H]([NH2+][C@H](C)c2ccc(F)cc2O)C1 ZINC000858471010 645172602 /nfs/dbraw/zinc/17/26/02/645172602.db2.gz AFGBZJNZYOKSNR-SKDRFNHKSA-N 1 1 279.311 2.444 20 10 CECDMO C[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@H](C)O1 ZINC000126911108 651000031 /nfs/dbraw/zinc/00/00/31/651000031.db2.gz CZWFGCBTDCDYPQ-GASCZTMLSA-N 1 1 290.407 2.132 20 10 CECDMO CCC[N@H+](Cc1ccccc1O)C[C@@H]1CCc2ncnn21 ZINC000878151478 651014949 /nfs/dbraw/zinc/01/49/49/651014949.db2.gz REICNIFAZHSCGJ-AWEZNQCLSA-N 1 1 286.379 2.383 20 10 CECDMO Oc1ccccc1C[N@H+](Cc1cn[nH]c1)C[C@H]1CCCO1 ZINC000768161536 646091869 /nfs/dbraw/zinc/09/18/69/646091869.db2.gz 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C[C@@H](NC[C@@H]1CCC[NH2+]1)c1cc(F)cc(F)c1O ZINC000817951453 633796399 /nfs/dbraw/zinc/79/63/99/633796399.db2.gz FWHSMABJBPFFFD-SCZZXKLOSA-N 1 1 256.296 2.073 20 10 CECDMO COCC[NH2+]CCN[C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000817964386 633806106 /nfs/dbraw/zinc/80/61/06/633806106.db2.gz AKVPLYHUCHPARG-ZDUSSCGKSA-N 1 1 292.423 2.158 20 10 CECDMO C[C@H](C[NH3+])[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000817966724 633810144 /nfs/dbraw/zinc/81/01/44/633810144.db2.gz UKCZTBLQOQDLFS-RQJHMYQMSA-N 1 1 291.164 2.292 20 10 CECDMO C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1cc(F)ccc1[O-] ZINC000817968452 633812140 /nfs/dbraw/zinc/81/21/40/633812140.db2.gz JNYDPBIILHZMTD-CMPLNLGQSA-N 1 1 252.333 2.324 20 10 CECDMO C[C@H](N[C@@H]1CC[NH2+]C[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000817972402 633814769 /nfs/dbraw/zinc/81/47/69/633814769.db2.gz WVJRJMVXTJUGLR-HEHGZKQESA-N 1 1 261.413 2.401 20 10 CECDMO C[C@@H](N[C@@H]1C[NH2+]CCC1(F)F)c1cc(F)cc(F)c1O ZINC000817980227 633822782 /nfs/dbraw/zinc/82/27/82/633822782.db2.gz 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/nfs/dbraw/zinc/46/86/21/635468621.db2.gz RPRDIJPATWRPTN-WFASDCNBSA-N 1 1 279.380 2.384 20 10 CECDMO COc1c(O)c(C[N@H+]2CC[C@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000824650684 635470027 /nfs/dbraw/zinc/47/00/27/635470027.db2.gz OWNJUDKOLDMEHA-NSHDSACASA-N 1 1 278.308 2.293 20 10 CECDMO CN(C)c1ccc(/C=C/C[N@H+]2CC[C@@]3(O)C[C@H]3C2)cc1 ZINC000827289799 636281904 /nfs/dbraw/zinc/28/19/04/636281904.db2.gz DCDJLRPROZBNPK-PIXXYMSQSA-N 1 1 272.392 2.223 20 10 CECDMO CCOc1cccc(C[N@@H+]2CCc3nccnc3C2)c1O ZINC000827692743 636394035 /nfs/dbraw/zinc/39/40/35/636394035.db2.gz MJTIKAHHQXBMFF-UHFFFAOYSA-N 1 1 285.347 2.139 20 10 CECDMO CCOc1cccc(C[N@H+]2CCc3nccnc3C2)c1O ZINC000827692743 636394041 /nfs/dbraw/zinc/39/40/41/636394041.db2.gz MJTIKAHHQXBMFF-UHFFFAOYSA-N 1 1 285.347 2.139 20 10 CECDMO Cc1ccc(O)c(CN2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000827857251 636443450 /nfs/dbraw/zinc/44/34/50/636443450.db2.gz ZQTAUMAJVBSAOU-MRXNPFEDSA-N 1 1 292.423 2.243 20 10 CECDMO Cc1cc(N(C)C)ccc1C[N@@H+](C)C1(CO)CCC1 ZINC000827903244 636456874 /nfs/dbraw/zinc/45/68/74/636456874.db2.gz GRORKDWGUWNCAF-UHFFFAOYSA-N 1 1 262.397 2.408 20 10 CECDMO Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H](C)c1ccccc1O)C2 ZINC000827964238 636472466 /nfs/dbraw/zinc/47/24/66/636472466.db2.gz IOFRUYDBVNYJAY-WCQYABFASA-N 1 1 299.374 2.337 20 10 CECDMO CCN(CC)c1ccc(CNC2CC([NH3+])C2)cc1F ZINC000906511225 636762265 /nfs/dbraw/zinc/76/22/65/636762265.db2.gz ZJCFUKIEBFENAH-UHFFFAOYSA-N 1 1 265.376 2.251 20 10 CECDMO CC(C)[N@H+]1CCC[C@H](NC(=O)C2=CC(=O)CS2)C1 ZINC000832296759 637537435 /nfs/dbraw/zinc/53/74/35/637537435.db2.gz NRIABJGYBCUZMO-JTQLQIEISA-N 1 1 268.382 2.056 20 10 CECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CCC[C@H]2OC)c1 ZINC000834886894 637977950 /nfs/dbraw/zinc/97/79/50/637977950.db2.gz QCLVHKYNFRZWJL-PSOPSSQASA-N 1 1 293.363 2.397 20 10 CECDMO CN(C)c1ccc(/C=C\C[N@H+]2CCCOCC2)cc1 ZINC000835026446 638029615 /nfs/dbraw/zinc/02/96/15/638029615.db2.gz WOJNDLHXTLYVAP-HYXAFXHYSA-N 1 1 260.381 2.488 20 10 CECDMO C[C@@H]1C[N@@H+](C/C=C/c2ccc(N(C)C)cc2)CC[C@@H]1O ZINC000835044875 638036507 /nfs/dbraw/zinc/03/65/07/638036507.db2.gz ACYOOHDDHUCNOS-ROHVMALMSA-N 1 1 274.408 2.469 20 10 CECDMO CC[N@H+](C/C=C\c1ccc(N(C)C)cc1)CCOCCO ZINC000835050145 638039122 /nfs/dbraw/zinc/03/91/22/638039122.db2.gz PIKBYSJLWFERSX-WAYWQWQTSA-N 1 1 292.423 2.097 20 10 CECDMO Cc1nonc1C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835054678 638041247 /nfs/dbraw/zinc/04/12/47/638041247.db2.gz XDMVXBXXGHVZPU-PLNGDYQASA-N 1 1 272.352 2.247 20 10 CECDMO Cc1ccc(C[N@H+]2CCCC[C@@H]2C2OCCO2)c(O)c1 ZINC000876680298 650396229 /nfs/dbraw/zinc/39/62/29/650396229.db2.gz ZFAXEFMKAYNDEM-CQSZACIVSA-N 1 1 277.364 2.428 20 10 CECDMO CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000876782573 650429412 /nfs/dbraw/zinc/42/94/12/650429412.db2.gz QTPWFZIYMRLDPM-LLVKDONJSA-N 1 1 284.350 2.444 20 10 CECDMO CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000876782573 650429413 /nfs/dbraw/zinc/42/94/13/650429413.db2.gz QTPWFZIYMRLDPM-LLVKDONJSA-N 1 1 284.350 2.444 20 10 CECDMO CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000876782573 650429415 /nfs/dbraw/zinc/42/94/15/650429415.db2.gz QTPWFZIYMRLDPM-LLVKDONJSA-N 1 1 284.350 2.444 20 10 CECDMO CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000876782573 650429417 /nfs/dbraw/zinc/42/94/17/650429417.db2.gz QTPWFZIYMRLDPM-LLVKDONJSA-N 1 1 284.350 2.444 20 10 CECDMO Cc1ccc(C[N@@H+]2CC[C@@H](Cc3cnn(C)c3)C2)c(O)c1 ZINC000876796662 650437055 /nfs/dbraw/zinc/43/70/55/650437055.db2.gz HPORZRNHJOESFF-AWEZNQCLSA-N 1 1 285.391 2.499 20 10 CECDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCCC[C@H]1CC(N)=O ZINC000840911905 639582162 /nfs/dbraw/zinc/58/21/62/639582162.db2.gz CKGSCMMNRFWTFA-INIZCTEOSA-N 1 1 289.423 2.291 20 10 CECDMO Cc1cc(O)c(C[N@H+]2CCC[C@@H](CC(N)=O)C2)c(Cl)c1 ZINC000840916577 639584854 /nfs/dbraw/zinc/58/48/54/639584854.db2.gz KPYLJJHPPVWDCL-NSHDSACASA-N 1 1 296.798 2.441 20 10 CECDMO Cc1cc(O)c(C[N@H+]2CC[C@@H](n3cncn3)C2)c(Cl)c1 ZINC000840937507 639592010 /nfs/dbraw/zinc/59/20/10/639592010.db2.gz ICVWLUGBPIKJCU-LLVKDONJSA-N 1 1 292.770 2.393 20 10 CECDMO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H](C)[C@@H]1CO ZINC000840938481 639592069 /nfs/dbraw/zinc/59/20/69/639592069.db2.gz GJRBAUYTKMJQGW-WBMJQRKESA-N 1 1 262.397 2.264 20 10 CECDMO COCCO[C@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC000840938952 639592649 /nfs/dbraw/zinc/59/26/49/639592649.db2.gz JYYXEVFIKAIPGK-KRWDZBQOSA-N 1 1 292.423 2.298 20 10 CECDMO COCCO[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC000840938953 639592891 /nfs/dbraw/zinc/59/28/91/639592891.db2.gz JYYXEVFIKAIPGK-QGZVFWFLSA-N 1 1 292.423 2.298 20 10 CECDMO CCCC[C@@H](CN)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000841029008 639621333 /nfs/dbraw/zinc/62/13/33/639621333.db2.gz LEITZRIPJBSUHV-INIZCTEOSA-N 1 1 291.439 2.130 20 10 CECDMO Cc1ncc(C[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)s1 ZINC000841042497 639630009 /nfs/dbraw/zinc/63/00/09/639630009.db2.gz KVELKTKLGQVXLY-OAHLLOKOSA-N 1 1 290.436 2.307 20 10 CECDMO Cc1cc(Br)cc(C[NH2+][C@@H]2CCCNC2)c1O ZINC000841042247 639630076 /nfs/dbraw/zinc/63/00/76/639630076.db2.gz HEKVCWAOVJEGSZ-GFCCVEGCSA-N 1 1 299.212 2.305 20 10 CECDMO Cc1cc(Cl)cc(CNC[C@H]([NH3+])C2CC2)c1O ZINC000841051245 639633224 /nfs/dbraw/zinc/63/32/24/639633224.db2.gz XCQGTTVVLPXRJO-LBPRGKRZSA-N 1 1 254.761 2.181 20 10 CECDMO [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC000841055257 639634651 /nfs/dbraw/zinc/63/46/51/639634651.db2.gz MQRKPOJNAATIOP-NWDGAFQWSA-N 1 1 254.761 2.405 20 10 CECDMO C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])CC[NH2+]1 ZINC000841061854 639637886 /nfs/dbraw/zinc/63/78/86/639637886.db2.gz OARFNGNAQRTRJH-SKDRFNHKSA-N 1 1 254.761 2.276 20 10 CECDMO C[C@@H](CCC[NH3+])[NH2+]Cc1cc(Br)ccc1[O-] ZINC000841078321 639647032 /nfs/dbraw/zinc/64/70/32/639647032.db2.gz AUOHRZYPALETQR-VIFPVBQESA-N 1 1 287.201 2.372 20 10 CECDMO COc1cc(Cl)cc(C[NH2+]Cc2ccon2)c1O ZINC000228675855 639652724 /nfs/dbraw/zinc/65/27/24/639652724.db2.gz QUEUHHHXOXMCBH-UHFFFAOYSA-N 1 1 268.700 2.332 20 10 CECDMO CC[N@H+]1C[C@@H](C)N(C(=O)Nc2ccc(N)cc2)C[C@H]1C ZINC000841297851 639731909 /nfs/dbraw/zinc/73/19/09/639731909.db2.gz IYEHVIURNQXSRK-VXGBXAGGSA-N 1 1 276.384 2.215 20 10 CECDMO COC(=O)[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000172478056 639767423 /nfs/dbraw/zinc/76/74/23/639767423.db2.gz NPBWGSOQRNNQLF-AWEZNQCLSA-N 1 1 289.375 2.266 20 10 CECDMO CC(C)C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000062734226 639779705 /nfs/dbraw/zinc/77/97/05/639779705.db2.gz UUDZIMQFUBCVRX-UHFFFAOYSA-N 1 1 261.413 2.184 20 10 CECDMO Cc1cc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)n(C)n1 ZINC000841828719 639874678 /nfs/dbraw/zinc/87/46/78/639874678.db2.gz ZLELMIYUHOFDSB-UHFFFAOYSA-N 1 1 272.396 2.427 20 10 CECDMO Cc1cc(C[N@H+](C)Cc2ccc(N(C)C)cc2)n(C)n1 ZINC000841828719 639874686 /nfs/dbraw/zinc/87/46/86/639874686.db2.gz ZLELMIYUHOFDSB-UHFFFAOYSA-N 1 1 272.396 2.427 20 10 CECDMO COc1cccc(O)c1CN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000843045444 640251086 /nfs/dbraw/zinc/25/10/86/640251086.db2.gz QQGVDPCZHGIWMU-HIFRSBDPSA-N 1 1 290.407 2.365 20 10 CECDMO COc1cccc(O)c1CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000843045446 640251338 /nfs/dbraw/zinc/25/13/38/640251338.db2.gz QQGVDPCZHGIWMU-ZFWWWQNUSA-N 1 1 290.407 2.365 20 10 CECDMO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H](C)[C@H]2CN)c1 ZINC000843051752 640254624 /nfs/dbraw/zinc/25/46/24/640254624.db2.gz LJUHNVOYJRBRIY-IUODEOHRSA-N 1 1 278.396 2.350 20 10 CECDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@@H](C)[C@H]2CN)c1 ZINC000843051752 640254626 /nfs/dbraw/zinc/25/46/26/640254626.db2.gz LJUHNVOYJRBRIY-IUODEOHRSA-N 1 1 278.396 2.350 20 10 CECDMO CCOc1ccc(C[N@@H+]2CCC[C@H](C)[C@H]2CN)c(O)c1 ZINC000843051956 640255049 /nfs/dbraw/zinc/25/50/49/640255049.db2.gz NDEPWYXZZKBUHU-SWLSCSKDSA-N 1 1 278.396 2.350 20 10 CECDMO CCOc1ccc(C[N@H+]2CCC[C@H](C)[C@H]2CN)c(O)c1 ZINC000843051956 640255052 /nfs/dbraw/zinc/25/50/52/640255052.db2.gz NDEPWYXZZKBUHU-SWLSCSKDSA-N 1 1 278.396 2.350 20 10 CECDMO C[C@@H]1CN(Cc2c(O)ccc(Cl)c2F)[C@H](C)C[NH2+]1 ZINC000843119705 640288271 /nfs/dbraw/zinc/28/82/71/640288271.db2.gz CSLOZJINESPPBT-RKDXNWHRSA-N 1 1 272.751 2.367 20 10 CECDMO COc1cccc([O-])c1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843125189 640291830 /nfs/dbraw/zinc/29/18/30/640291830.db2.gz NRLQZEAPUYUNBL-KGLIPLIRSA-N 1 1 290.407 2.222 20 10 CECDMO COc1cccc([O-])c1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843125189 640291833 /nfs/dbraw/zinc/29/18/33/640291833.db2.gz NRLQZEAPUYUNBL-KGLIPLIRSA-N 1 1 290.407 2.222 20 10 CECDMO Cc1cc(O)c(CN2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1C ZINC000843126037 640293424 /nfs/dbraw/zinc/29/34/24/640293424.db2.gz FEZDFWKHXGCKMT-HIFRSBDPSA-N 1 1 260.381 2.193 20 10 CECDMO COC(=O)c1cnc(SC[C@@H]2CCC[N@H+]2C)s1 ZINC000917778784 640916916 /nfs/dbraw/zinc/91/69/16/640916916.db2.gz UPIBNSMORMTGMM-QMMMGPOBSA-N 1 1 272.395 2.116 20 10 CECDMO CC[N@@H+](Cc1cc(OC)c(OC)cc1O)[C@@H]1CCCOC1 ZINC000846051621 641164613 /nfs/dbraw/zinc/16/46/13/641164613.db2.gz HMWCNSIEKJPOCL-CYBMUJFWSA-N 1 1 295.379 2.410 20 10 CECDMO Cc1cc(Cl)cc(C[N@@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)c1O ZINC000846103709 641182444 /nfs/dbraw/zinc/18/24/44/641182444.db2.gz VXNZBFUYQXDJQN-PZROIBLQSA-N 1 1 285.796 2.059 20 10 CECDMO Cc1cc(Cl)cc(C[N@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)c1O ZINC000846103709 641182448 /nfs/dbraw/zinc/18/24/48/641182448.db2.gz VXNZBFUYQXDJQN-PZROIBLQSA-N 1 1 285.796 2.059 20 10 CECDMO C[C@@H]([NH2+][C@@H](CO)CCF)c1cc(F)cc(F)c1O ZINC000846208282 641222312 /nfs/dbraw/zinc/22/23/12/641222312.db2.gz HMNPJLREAHKUCR-VXNVDRBHSA-N 1 1 263.259 2.042 20 10 CECDMO CCN1C[C@@H](C[NH2+][C@@H](C)c2ccc(F)cc2O)CC1=O ZINC000846210278 641224271 /nfs/dbraw/zinc/22/42/71/641224271.db2.gz WWTBNRJMXCQUTA-WDEREUQCSA-N 1 1 280.343 2.050 20 10 CECDMO COc1ccc(N2CC[NH+](Cc3cncs3)CC2)cc1 ZINC000179530065 641360508 /nfs/dbraw/zinc/36/05/08/641360508.db2.gz CDCVWQQLOGENSN-UHFFFAOYSA-N 1 1 289.404 2.474 20 10 CECDMO COCCCOCC[N@@H+](C)Cc1cc2c(cc1O)CCC2 ZINC000179798568 641384003 /nfs/dbraw/zinc/38/40/03/641384003.db2.gz PGZBHPDIQOSSPA-UHFFFAOYSA-N 1 1 293.407 2.366 20 10 CECDMO Cc1ccc(O)c(C[N@@H+]2CCN(C)C[C@@H]2C(C)C)c1 ZINC000184739895 641898847 /nfs/dbraw/zinc/89/88/47/641898847.db2.gz YFJYPZWSSQFCPS-OAHLLOKOSA-N 1 1 262.397 2.473 20 10 CECDMO CC(C)COC[C@H](O)C[NH2+][C@H](C)c1ccc(F)cc1O ZINC000185116989 641938089 /nfs/dbraw/zinc/93/80/89/641938089.db2.gz OTZQTMLLTLWDGV-DGCLKSJQSA-N 1 1 285.359 2.215 20 10 CECDMO CCc1cccc(C[N@@H+](C)C[C@H](C)C(=O)OC)c1O ZINC000848882618 642169330 /nfs/dbraw/zinc/16/93/30/642169330.db2.gz VXCIVVAAJQKTTM-NSHDSACASA-N 1 1 265.353 2.196 20 10 CECDMO CCc1cccc(C[N@H+]2CC[C@H](COCCOC)C2)c1O ZINC000848890670 642174792 /nfs/dbraw/zinc/17/47/92/642174792.db2.gz TYINGAJXHDTXPS-AWEZNQCLSA-N 1 1 293.407 2.440 20 10 CECDMO CCc1cccc(C[N@@H+](C)CCOCCCOC)c1O ZINC000848901225 642179424 /nfs/dbraw/zinc/17/94/24/642179424.db2.gz PPSNSIIMHJHHPA-UHFFFAOYSA-N 1 1 281.396 2.440 20 10 CECDMO CCc1cccc(C[N@H+]2CCO[C@]3(CCO[C@H]3C)C2)c1O ZINC000848908383 642184186 /nfs/dbraw/zinc/18/41/86/642184186.db2.gz SHBWRCFMGLZWBO-SUMWQHHRSA-N 1 1 291.391 2.334 20 10 CECDMO CCc1cccc(C[N@H+]2CCOC[C@H]2CCOC)c1O ZINC000848913072 642187573 /nfs/dbraw/zinc/18/75/73/642187573.db2.gz NOUWKEJMJQMVQD-OAHLLOKOSA-N 1 1 279.380 2.192 20 10 CECDMO Cc1cccc(O)c1C[NH2+]CCCN1CCCO[C@@H](C)C1 ZINC000877477673 650739883 /nfs/dbraw/zinc/73/98/83/650739883.db2.gz HHYWXFZOFWDFGU-HNNXBMFYSA-N 1 1 292.423 2.291 20 10 CECDMO Cc1cccc(O)c1C[N@H+]1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000877480735 650741690 /nfs/dbraw/zinc/74/16/90/650741690.db2.gz GJLZRNPNXWEPRG-CYBMUJFWSA-N 1 1 297.420 2.100 20 10 CECDMO CC(C)[N@H+](C)CCNCc1ccc2c(c1)CCCO2 ZINC000921649742 642391051 /nfs/dbraw/zinc/39/10/51/642391051.db2.gz IKEPSGLWAHMETL-UHFFFAOYSA-N 1 1 262.397 2.441 20 10 CECDMO CC(C)[N@@H+](C)CCNCc1ccc2c(c1)CCCO2 ZINC000921649742 642391059 /nfs/dbraw/zinc/39/10/59/642391059.db2.gz IKEPSGLWAHMETL-UHFFFAOYSA-N 1 1 262.397 2.441 20 10 CECDMO Cc1cccc(O)c1C[N@@H+]1CCO[C@@H](C(F)F)C1 ZINC000877502861 650754430 /nfs/dbraw/zinc/75/44/30/650754430.db2.gz UUIKDVRDHDBCKW-GFCCVEGCSA-N 1 1 257.280 2.167 20 10 CECDMO Cc1cccc(O)c1C[N@H+]1CCO[C@@H](C(F)F)C1 ZINC000877502861 650754431 /nfs/dbraw/zinc/75/44/31/650754431.db2.gz UUIKDVRDHDBCKW-GFCCVEGCSA-N 1 1 257.280 2.167 20 10 CECDMO Cc1cccc(O)c1C[N@H+]1CCC[C@H](S(C)(=O)=O)CC1 ZINC000877499930 650752534 /nfs/dbraw/zinc/75/25/34/650752534.db2.gz MIIJJMBUCOBOPV-ZDUSSCGKSA-N 1 1 297.420 2.100 20 10 CECDMO CC(=O)NCC[C@@H]1CCC[N@@H+](Cc2ccc(C)cc2O)C1 ZINC000877530326 650770382 /nfs/dbraw/zinc/77/03/82/650770382.db2.gz SHHJZONRMVCSGY-HNNXBMFYSA-N 1 1 290.407 2.439 20 10 CECDMO Cc1ccc(C[N@H+](C)[C@H]2CCN(C)C[C@H]2C)c(O)c1 ZINC000877530983 650770605 /nfs/dbraw/zinc/77/06/05/650770605.db2.gz HFDWRDIIQHJVIZ-HIFRSBDPSA-N 1 1 262.397 2.473 20 10 CECDMO C[C@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)c2ncnn21 ZINC000850352499 642678484 /nfs/dbraw/zinc/67/84/84/642678484.db2.gz YMLXRVPJZRPWOT-SMDDNHRTSA-N 1 1 271.368 2.140 20 10 CECDMO CN1CCN(c2ccc(C[NH2+][C@H]3[C@@H]4CCC[C@@H]43)cc2)CC1 ZINC000850393444 642698950 /nfs/dbraw/zinc/69/89/50/642698950.db2.gz SPIKDGNQKVDIIK-PIIMJCKOSA-N 1 1 285.435 2.327 20 10 CECDMO CCc1nnc(C[NH2+]Cc2ccc(C)cc2O)s1 ZINC000877541408 650776814 /nfs/dbraw/zinc/77/68/14/650776814.db2.gz OIBYIJUWGMNXEY-UHFFFAOYSA-N 1 1 263.366 2.404 20 10 CECDMO CCC[N@H+](C)CC(C)(C)NCc1cc2c(cc1O)OCO2 ZINC000850410245 642703819 /nfs/dbraw/zinc/70/38/19/642703819.db2.gz QOHLMRKCMICTRI-UHFFFAOYSA-N 1 1 294.395 2.331 20 10 CECDMO CCC[N@@H+](C)CC(C)(C)NCc1cc2c(cc1O)OCO2 ZINC000850410245 642703822 /nfs/dbraw/zinc/70/38/22/642703822.db2.gz QOHLMRKCMICTRI-UHFFFAOYSA-N 1 1 294.395 2.331 20 10 CECDMO C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(F)c(F)c2[O-])C1 ZINC000877584094 650800489 /nfs/dbraw/zinc/80/04/89/650800489.db2.gz CECGQNZWTTZSCR-NSHDSACASA-N 1 1 284.350 2.492 20 10 CECDMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCc1c(O)cccc1F ZINC000922534063 643110293 /nfs/dbraw/zinc/11/02/93/643110293.db2.gz UEVMIGDAVCPCMF-LLVKDONJSA-N 1 1 297.374 2.059 20 10 CECDMO C[C@@H]1[C@@H]([NH2+]Cc2c(O)ccc(Cl)c2F)CCN1C 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CCOc1ccc(C[N@@H+]2CCN3CCCC[C@H]3C2)c(O)c1 ZINC000769162261 646217853 /nfs/dbraw/zinc/21/78/53/646217853.db2.gz USFXDYVACJZXOR-HNNXBMFYSA-N 1 1 290.407 2.461 20 10 CECDMO CCOc1ccc(C[N@H+]2CCN3CCCC[C@H]3C2)c(O)c1 ZINC000769162261 646217856 /nfs/dbraw/zinc/21/78/56/646217856.db2.gz USFXDYVACJZXOR-HNNXBMFYSA-N 1 1 290.407 2.461 20 10 CECDMO CCC[N@H+](Cc1ccccc1O)C[C@H](O)CCOCC ZINC000769728423 646308111 /nfs/dbraw/zinc/30/81/11/646308111.db2.gz LLWSKVFTLGGIQS-OAHLLOKOSA-N 1 1 281.396 2.392 20 10 CECDMO CN(C)c1ccc(C[N@H+]2CCSC[C@@H]2CCO)cc1 ZINC000770306359 646378071 /nfs/dbraw/zinc/37/80/71/646378071.db2.gz OWCBQNBJBKOWNT-HNNXBMFYSA-N 1 1 280.437 2.052 20 10 CECDMO CN(C)c1cc(F)c(C[N@@H+](C)CC(C)(C)CO)cc1F ZINC000862385121 646430206 /nfs/dbraw/zinc/43/02/06/646430206.db2.gz PGESOYMWULBVPI-UHFFFAOYSA-N 1 1 286.366 2.481 20 10 CECDMO C[N@@H+](Cc1c(O)cccc1Br)C1(CO)CC1 ZINC000862417731 646452724 /nfs/dbraw/zinc/45/27/24/646452724.db2.gz HLBJWVSRTAPOTH-UHFFFAOYSA-N 1 1 286.169 2.111 20 10 CECDMO CCOC[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2C)CCO1 ZINC000862502189 646482614 /nfs/dbraw/zinc/48/26/14/646482614.db2.gz CZRNJUPVZZPMFF-KRWDZBQOSA-N 1 1 292.423 2.298 20 10 CECDMO CCOC[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2C)CCO1 ZINC000862502189 646482620 /nfs/dbraw/zinc/48/26/20/646482620.db2.gz CZRNJUPVZZPMFF-KRWDZBQOSA-N 1 1 292.423 2.298 20 10 CECDMO CCN(C)c1ccc(C[N@H+]2CCC[C@@](C)(O)C2)cc1 ZINC000773822310 646777450 /nfs/dbraw/zinc/77/74/50/646777450.db2.gz UNLWISYFEIZJFK-MRXNPFEDSA-N 1 1 262.397 2.490 20 10 CECDMO CCOC(=O)CC[N@@H+](Cc1cc(OC)ccc1O)C1CC1 ZINC000775665017 646977760 /nfs/dbraw/zinc/97/77/60/646977760.db2.gz WPMPOZXNSPJBHQ-UHFFFAOYSA-N 1 1 293.363 2.318 20 10 CECDMO C[C@H]1CCC[N@@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775691862 646981741 /nfs/dbraw/zinc/98/17/41/646981741.db2.gz HDFTULZJKDKSNY-HNNXBMFYSA-N 1 1 273.424 2.423 20 10 CECDMO C[C@H]1CCC[N@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775691862 646981743 /nfs/dbraw/zinc/98/17/43/646981743.db2.gz HDFTULZJKDKSNY-HNNXBMFYSA-N 1 1 273.424 2.423 20 10 CECDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1Cc1cc(F)ccc1O ZINC000775983638 647012984 /nfs/dbraw/zinc/01/29/84/647012984.db2.gz CGMZNZVTZXQKLF-GHMZBOCLSA-N 1 1 252.333 2.056 20 10 CECDMO C[C@@H]1[C@@H](C)[N@H+](Cc2cc(F)ccc2O)CCN1C ZINC000775983638 647012987 /nfs/dbraw/zinc/01/29/87/647012987.db2.gz CGMZNZVTZXQKLF-GHMZBOCLSA-N 1 1 252.333 2.056 20 10 CECDMO C[C@@H]1[C@@H](C)[N@@H+](Cc2cc(F)ccc2O)CCN1C ZINC000775983638 647012988 /nfs/dbraw/zinc/01/29/88/647012988.db2.gz CGMZNZVTZXQKLF-GHMZBOCLSA-N 1 1 252.333 2.056 20 10 CECDMO CCOc1cccc(C[N@H+]2C[C@@H](C)N(C)C[C@@H]2C)c1O ZINC000775981341 647013582 /nfs/dbraw/zinc/01/35/82/647013582.db2.gz PNLOAFFFRLBDNL-OLZOCXBDSA-N 1 1 278.396 2.315 20 10 CECDMO CCOc1cccc(CN2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1O ZINC000775981341 647013585 /nfs/dbraw/zinc/01/35/85/647013585.db2.gz PNLOAFFFRLBDNL-OLZOCXBDSA-N 1 1 278.396 2.315 20 10 CECDMO CCOc1cccc(CN2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1O ZINC000775981341 647013588 /nfs/dbraw/zinc/01/35/88/647013588.db2.gz PNLOAFFFRLBDNL-OLZOCXBDSA-N 1 1 278.396 2.315 20 10 CECDMO C[C@@H]1[C@H](C)N(C)CC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000775986906 647014696 /nfs/dbraw/zinc/01/46/96/647014696.db2.gz SNMLISOYSZIKOX-UONOGXRCSA-N 1 1 261.413 2.277 20 10 CECDMO C[C@@H]1[C@H](C)[N@H+](C)CCN1Cc1ccc(N(C)C)cc1 ZINC000775986906 647014701 /nfs/dbraw/zinc/01/47/01/647014701.db2.gz SNMLISOYSZIKOX-UONOGXRCSA-N 1 1 261.413 2.277 20 10 CECDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1Cc1ccc(N(C)C)cc1 ZINC000775986906 647014703 /nfs/dbraw/zinc/01/47/03/647014703.db2.gz SNMLISOYSZIKOX-UONOGXRCSA-N 1 1 261.413 2.277 20 10 CECDMO COc1cccc(C[N@H+]2CCOCC3(CC3)C2)c1O ZINC000783598913 647735316 /nfs/dbraw/zinc/73/53/16/647735316.db2.gz FRFABMZSZYTQDV-UHFFFAOYSA-N 1 1 263.337 2.013 20 10 CECDMO COc1cccc(C[N@H+]2C[C@H](C)O[C@@H](C)[C@@H]2C)c1O ZINC000783738381 647754920 /nfs/dbraw/zinc/75/49/20/647754920.db2.gz SYLMFSYUQAUFJL-SRVKXCTJSA-N 1 1 265.353 2.399 20 10 CECDMO CCC[C@@H](CCO)[NH2+][C@H](C)c1cc(C(=O)OC)ccc1O ZINC000866415600 647780085 /nfs/dbraw/zinc/78/00/85/647780085.db2.gz ZMFFCQAHLCMVIH-YPMHNXCESA-N 1 1 295.379 2.381 20 10 CECDMO CC[C@H](C[C@@H](C)O)[NH2+][C@H](C)c1cc(C(=O)OC)ccc1O ZINC000866634755 647849402 /nfs/dbraw/zinc/84/94/02/647849402.db2.gz UHULHARCYHHBKV-NQBHXWOUSA-N 1 1 295.379 2.379 20 10 CECDMO CC[C@H](C[C@H](C)O)[NH2+][C@H](C)c1cc(C(=O)OC)ccc1O ZINC000866634751 647849500 /nfs/dbraw/zinc/84/95/00/647849500.db2.gz UHULHARCYHHBKV-DMDPSCGWSA-N 1 1 295.379 2.379 20 10 CECDMO COc1ccc(O)c(C[N@H+]2CC[C@H](C)C[C@H]2[C@H](C)O)c1 ZINC000785987207 647975817 /nfs/dbraw/zinc/97/58/17/647975817.db2.gz GJJRDIGHVQWXPO-HUBLWGQQSA-N 1 1 279.380 2.382 20 10 CECDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C1=CC(=O)CS1 ZINC000791058216 648477975 /nfs/dbraw/zinc/47/79/75/648477975.db2.gz BRXJZHZVYPFAHJ-LBPRGKRZSA-N 1 1 282.409 2.304 20 10 CECDMO COc1c[nH+]ccc1N1CCN(Cc2ccccc2O)CC1 ZINC000793370944 648747479 /nfs/dbraw/zinc/74/74/79/648747479.db2.gz SGIMOGGJGLRUKW-UHFFFAOYSA-N 1 1 299.374 2.118 20 10 CECDMO COc1ccc(O)c([C@H](C)[NH2+]Cc2cn(C(C)C)nn2)c1 ZINC000794461428 648869031 /nfs/dbraw/zinc/86/90/31/648869031.db2.gz JPCBWDCMTPALKI-NSHDSACASA-N 1 1 290.367 2.424 20 10 CECDMO CN(C)c1ccc(/C=C/C[N@H+]2C[C@@H]3COC[C@@H]3C2)cc1 ZINC000872266527 649334846 /nfs/dbraw/zinc/33/48/46/649334846.db2.gz XAKZSQDHNFWTNK-ZOSBBBERSA-N 1 1 272.392 2.344 20 10 CECDMO Oc1ccc(Cl)c(F)c1CN1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873216739 649594049 /nfs/dbraw/zinc/59/40/49/649594049.db2.gz SESMYZJKPYHTNF-DTORHVGOSA-N 1 1 270.735 2.121 20 10 CECDMO C[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1cc(Cl)ccc1[O-] ZINC000873256829 649612878 /nfs/dbraw/zinc/61/28/78/649612878.db2.gz OXCPEWQXFFJOAW-FXPVBKGRSA-N 1 1 254.761 2.434 20 10 CECDMO CO[C@H]1C[N@@H+](Cc2ccc(N(C)C)c(C)c2)[C@](C)(CO)C1 ZINC000879261427 651272483 /nfs/dbraw/zinc/27/24/83/651272483.db2.gz KGBLYOSVXKSPMG-WBVHZDCISA-N 1 1 292.423 2.033 20 10 CECDMO CC(=O)c1cc(F)cc(C[N@@H+]2C[C@H](O)CC(C)(C)C2)c1O ZINC000879619926 651331408 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ZINC000134748253 652871838 /nfs/dbraw/zinc/87/18/38/652871838.db2.gz FHOGMYJPDGVISA-JTQLQIEISA-N 1 1 288.185 2.324 20 10 CECDMO Cc1ccc(NCCc2cc(O)c(O)cc2O)[nH+]c1 ZINC001168009916 805685484 /nfs/dbraw/zinc/68/54/84/805685484.db2.gz LRZZUICAECNRQE-UHFFFAOYSA-N 1 1 260.293 2.161 20 10 CECDMO C[C@@H]1C[C@H](O)CC[N@@H+]1Cc1cc(F)c(F)cc1O ZINC001142525073 806618519 /nfs/dbraw/zinc/61/85/19/806618519.db2.gz WAKAIZQAGFHRFC-PSASIEDQSA-N 1 1 257.280 2.016 20 10 CECDMO C[C@@H]1C[C@H](O)CC[N@H+]1Cc1cc(F)c(F)cc1O ZINC001142525073 806618522 /nfs/dbraw/zinc/61/85/22/806618522.db2.gz WAKAIZQAGFHRFC-PSASIEDQSA-N 1 1 257.280 2.016 20 10 CECDMO Oc1ccc(Cl)cc1C[NH+]1CCN(CCF)CC1 ZINC000402754703 802866611 /nfs/dbraw/zinc/86/66/11/802866611.db2.gz DSMJGYVFPHJWKW-UHFFFAOYSA-N 1 1 272.751 2.133 20 10 CECDMO COc1ccc(C[N@H+]2CC[C@H]3OCC[C@@H]3C2)c(O)c1 ZINC000724814321 803489553 /nfs/dbraw/zinc/48/95/53/803489553.db2.gz NAKPKNHEBWDAEK-IUODEOHRSA-N 1 1 263.337 2.012 20 10 CECDMO C[C@@H]1C[C@H](O)C[N@H+]1Cc1ccc(N(C)C)cc1Cl ZINC001140921641 803606414 /nfs/dbraw/zinc/60/64/14/803606414.db2.gz LJRNDDXAVSPIFZ-MFKMUULPSA-N 1 1 268.788 2.361 20 10 CECDMO CCC[N@H+]1CCCC[C@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC001118995634 815062838 /nfs/dbraw/zinc/06/28/38/815062838.db2.gz INKKJAQQKBVWLA-HNNXBMFYSA-N 1 1 288.391 2.499 20 10 CECDMO Cc1ccc(O)c(C[N@H+]2C[C@H](O)CC3(CCOCC3)C2)c1 ZINC001119517299 815124238 /nfs/dbraw/zinc/12/42/38/815124238.db2.gz RHQDKJCOWDIXNP-OAHLLOKOSA-N 1 1 291.391 2.064 20 10 CECDMO C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(F)c(F)c2[O-])C1 ZINC000703327110 809638306 /nfs/dbraw/zinc/63/83/06/809638306.db2.gz GGTZPVWCGNBQNP-JTQLQIEISA-N 1 1 270.323 2.102 20 10 CECDMO C[S@](=O)C1(C[NH2+]Cc2cc(F)cc(F)c2O)CCC1 ZINC000708393992 809928448 /nfs/dbraw/zinc/92/84/48/809928448.db2.gz NFJDNLOSHDAWHO-IBGZPJMESA-N 1 1 289.347 2.061 20 10 CECDMO CC[N@@H+]1CCN(Cc2cc(F)cc(F)c2O)C[C@@H]1C ZINC000708397967 809928729 /nfs/dbraw/zinc/92/87/29/809928729.db2.gz DQPHJUPGPOCJOB-JTQLQIEISA-N 1 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260.381 2.424 20 10 CECDMO O=C1CCC[C@H]2C[N@H+](Cc3cc(F)ccc3O)C[C@H]12 ZINC001140056404 816179487 /nfs/dbraw/zinc/17/94/87/816179487.db2.gz VWLYPTIJRCPVEL-GWCFXTLKSA-N 1 1 263.312 2.332 20 10 CECDMO C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2O)CC[C@@H]1O ZINC001140058094 816181307 /nfs/dbraw/zinc/18/13/07/816181307.db2.gz SNKPMVFNJVSFGP-MFKMUULPSA-N 1 1 253.317 2.124 20 10 CECDMO C[C@H]1CC[N@H+](Cc2cc(F)ccc2O)CCC1=O ZINC001140057809 816181715 /nfs/dbraw/zinc/18/17/15/816181715.db2.gz NEPWODZRVXAACT-JTQLQIEISA-N 1 1 251.301 2.332 20 10 CECDMO C[C@H]1CC[N@@H+](Cc2cc(F)ccc2O)CCC1=O ZINC001140057809 816181719 /nfs/dbraw/zinc/18/17/19/816181719.db2.gz NEPWODZRVXAACT-JTQLQIEISA-N 1 1 251.301 2.332 20 10 CECDMO Cc1ccc(C)c(C[N@H+]2CCCC3(C2)OCCO3)c1O ZINC001140184488 816206123 /nfs/dbraw/zinc/20/61/23/816206123.db2.gz WGTPNJIUUUOUNV-UHFFFAOYSA-N 1 1 277.364 2.348 20 10 CECDMO CC(=O)N1CCC([N@@H+](C)Cc2c(O)cccc2Cl)CC1 ZINC001140341550 816237504 /nfs/dbraw/zinc/23/75/04/816237504.db2.gz 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CCOC(=O)[C@@H]1CC[N@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001142524672 816679472 /nfs/dbraw/zinc/67/94/72/816679472.db2.gz GCXICCGHVLNFBL-SECBINFHSA-N 1 1 285.290 2.055 20 10 CECDMO CCOC(=O)[C@@H]1CC[N@@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001142524672 816679475 /nfs/dbraw/zinc/67/94/75/816679475.db2.gz GCXICCGHVLNFBL-SECBINFHSA-N 1 1 285.290 2.055 20 10 CECDMO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2ccccc2O)C1 ZINC000000245139 361151409 /nfs/dbraw/zinc/15/14/09/361151409.db2.gz BGTJGEQBHLWNGX-DZGCQCFKSA-N 1 1 296.370 2.173 20 10 CECDMO CCOc1ccc(O)c(C[N@@H+]2CCOC[C@@H]2C)c1 ZINC000091815062 364073230 /nfs/dbraw/zinc/07/32/30/364073230.db2.gz MTBLJCLLTYIRBY-NSHDSACASA-N 1 1 251.326 2.012 20 10 CECDMO CCOc1ccc(O)c(C[N@H+]2CCOC[C@@H]2C)c1 ZINC000091815062 364073235 /nfs/dbraw/zinc/07/32/35/364073235.db2.gz MTBLJCLLTYIRBY-NSHDSACASA-N 1 1 251.326 2.012 20 10 CECDMO CC[N@@H+](Cc1cnn(C)c1)Cc1cccc(OC)c1O ZINC000092438025 364076659 /nfs/dbraw/zinc/07/66/59/364076659.db2.gz UQYLONNFPNAYNK-UHFFFAOYSA-N 1 1 275.352 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CECDMO CN(C)c1ccc(/C=C\C[N@H+]2CCn3cncc3C2)cc1 ZINC000835056965 638042129 /nfs/dbraw/zinc/04/21/29/638042129.db2.gz XBRGNMQEDUIMJR-ARJAWSKDSA-N 1 1 282.391 2.478 20 10 CECDMO C[N@@H+](CCCC[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])C1CC1 ZINC000835061570 638044456 /nfs/dbraw/zinc/04/44/56/638044456.db2.gz IBVQXNLMAVVZKX-UHFFFAOYSA-N 1 1 293.367 2.264 20 10 CECDMO O=C(c1cccc2c1CCN2)N1CC[NH2+]Cc2ccccc21 ZINC000911761801 638410265 /nfs/dbraw/zinc/41/02/65/638410265.db2.gz SAWRRBCFZZZBPM-UHFFFAOYSA-N 1 1 293.370 2.405 20 10 CECDMO Cc1ccc(C[N@H+]2CC[S@](=O)[C@H](C)[C@H]2C)c(O)c1 ZINC000876755291 650421200 /nfs/dbraw/zinc/42/12/00/650421200.db2.gz JECUGWJJHBRUOC-FMTVUPSXSA-N 1 1 267.394 2.042 20 10 CECDMO Cc1ccc(C[N@@H+]2CC[S@](=O)[C@H](C)[C@H]2C)c(O)c1 ZINC000876755291 650421203 /nfs/dbraw/zinc/42/12/03/650421203.db2.gz JECUGWJJHBRUOC-FMTVUPSXSA-N 1 1 267.394 2.042 20 10 CECDMO COCCC[N@@H+](CCOC)Cc1cc(C)cc(C)c1O ZINC000164211757 639354227 /nfs/dbraw/zinc/35/42/27/639354227.db2.gz 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1 294.370 2.260 20 10 CECDMO C[C@H]([NH2+]CC1(O)CCCC1)c1ccc(F)cc1O ZINC000087015752 643738400 /nfs/dbraw/zinc/73/84/00/643738400.db2.gz GWTVDQPBLWWIHV-JTQLQIEISA-N 1 1 253.317 2.487 20 10 CECDMO C[C@]1(C2CC2)C[N@@H+](Cc2cc3c(cc2O)OCO3)CCO1 ZINC000853527633 643802588 /nfs/dbraw/zinc/80/25/88/643802588.db2.gz CBJSCLUFSSDXID-MRXNPFEDSA-N 1 1 291.347 2.122 20 10 CECDMO Cc1cc(C)c(O)c(C[N@H+]2CC[C@H](N3CCOC3=O)C2)c1 ZINC000853541101 643808709 /nfs/dbraw/zinc/80/87/09/643808709.db2.gz PAMNAFYTNITEKY-AWEZNQCLSA-N 1 1 290.363 2.036 20 10 CECDMO Oc1cc2c(cc1C[N@H+]1CCC3(COC3)C1)CCCC2 ZINC000853596906 643827921 /nfs/dbraw/zinc/82/79/21/643827921.db2.gz BHVRMLNGIDLOCF-UHFFFAOYSA-N 1 1 273.376 2.493 20 10 CECDMO COc1cc(C[N@@H+]2CCc3nccnc3C2)c(O)cc1C ZINC000853607104 643830906 /nfs/dbraw/zinc/83/09/06/643830906.db2.gz UOQVJYRBWAQTHI-UHFFFAOYSA-N 1 1 285.347 2.058 20 10 CECDMO COc1cc(C[N@H+]2CCc3nccnc3C2)c(O)cc1C ZINC000853607104 643830910 /nfs/dbraw/zinc/83/09/10/643830910.db2.gz 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807177748 /nfs/dbraw/zinc/17/77/48/807177748.db2.gz RQEQZSMCTVINOL-GJZGRUSLSA-N 1 1 260.381 2.084 20 10 CECDMO CN1CC[C@@]2(CC[N@@H+](Cc3cc(Cl)ccc3O)C2)C1=O ZINC001272636962 807837790 /nfs/dbraw/zinc/83/77/90/807837790.db2.gz HYICZPFSIVMEBK-HNNXBMFYSA-N 1 1 294.782 2.100 20 10 CECDMO CC(C)(C)OC(=O)NC1C[NH+](Cc2ccccc2O)C1 ZINC001203546846 808640591 /nfs/dbraw/zinc/64/05/91/808640591.db2.gz AAAKPOWCQNRNAZ-UHFFFAOYSA-N 1 1 278.352 2.101 20 10 CECDMO Oc1ccccc1C[N@H+]1CCCC[C@](O)(CF)C1 ZINC001203549909 808669430 /nfs/dbraw/zinc/66/94/30/808669430.db2.gz CDRQNXJSVKJTKU-AWEZNQCLSA-N 1 1 253.317 2.079 20 10 CECDMO Oc1c(F)cc(F)cc1C[NH2+][C@@H]1CCCC12OCCO2 ZINC000708393842 809928178 /nfs/dbraw/zinc/92/81/78/809928178.db2.gz KFVYHISKMMYICF-GFCCVEGCSA-N 1 1 285.290 2.056 20 10 CECDMO CC1(C)OCC[C@H]1[NH2+]Cc1cc(F)cc(F)c1O ZINC000708438793 809931021 /nfs/dbraw/zinc/93/10/21/809931021.db2.gz YSQZQWMZHSZIDV-LLVKDONJSA-N 1 1 257.280 2.328 20 10 CECDMO CC(C)(CCO)C[NH2+]Cc1cc(F)cc(F)c1O ZINC000708452706 809931148 /nfs/dbraw/zinc/93/11/48/809931148.db2.gz ABHWHHABBPBSIL-UHFFFAOYSA-N 1 1 259.296 2.169 20 10 CECDMO C[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)c1cnn(C)c1 ZINC000708494447 809943279 /nfs/dbraw/zinc/94/32/79/809943279.db2.gz JZJVXYKDNCFOHV-MRVPVSSYSA-N 1 1 267.279 2.255 20 10 CECDMO CCCN(Cc1ccccc1O)C(=O)[C@H]1CC[N@@H+]1CC ZINC001137346958 812705662 /nfs/dbraw/zinc/70/56/62/812705662.db2.gz RLOWTMQPIVSADN-CQSZACIVSA-N 1 1 276.380 2.225 20 10 CECDMO CCCN(Cc1ccccc1O)C(=O)[C@H]1CC[N@H+]1CC ZINC001137346958 812705666 /nfs/dbraw/zinc/70/56/66/812705666.db2.gz RLOWTMQPIVSADN-CQSZACIVSA-N 1 1 276.380 2.225 20 10 CECDMO Cc1cc([C@@H]2CCC[N@H+]2Cc2c(O)cc(O)cc2O)no1 ZINC001144500362 814091201 /nfs/dbraw/zinc/09/12/01/814091201.db2.gz SMRBRSVMIZVQEE-ZDUSSCGKSA-N 1 1 290.319 2.437 20 10 CECDMO C[C@H]1CCCC[N@@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144500494 814091474 /nfs/dbraw/zinc/09/14/74/814091474.db2.gz VAQCRJXWWZJAFJ-JTQLQIEISA-N 1 1 251.326 2.425 20 10 CECDMO C[C@@]1(F)CCC[N@@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144503809 814092368 /nfs/dbraw/zinc/09/23/68/814092368.db2.gz DMNFHUNPQBLMJY-CYBMUJFWSA-N 1 1 255.289 2.127 20 10 CECDMO COc1cccc(O)c1C[N@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC001116444086 814854095 /nfs/dbraw/zinc/85/40/95/814854095.db2.gz QDYJVIYBEUIIAG-IUODEOHRSA-N 1 1 277.364 2.402 20 10 CECDMO C[C@@H]1CC[N@H+](Cc2c(O)cccc2F)C[C@@]1(C)O ZINC001137832667 815690247 /nfs/dbraw/zinc/69/02/47/815690247.db2.gz CXUYIWDMAXBUFF-QMTHXVAHSA-N 1 1 253.317 2.124 20 10 CECDMO C[C@@H]1CC[N@@H+](Cc2c(O)cccc2F)C[C@@]1(C)O ZINC001137832667 815690253 /nfs/dbraw/zinc/69/02/53/815690253.db2.gz CXUYIWDMAXBUFF-QMTHXVAHSA-N 1 1 253.317 2.124 20 10 CECDMO C[C@H]1C[N@H+](Cc2c(O)cccc2F)CCC[C@@H]1O ZINC001137832865 815692872 /nfs/dbraw/zinc/69/28/72/815692872.db2.gz KOQATAAMTAGRJT-GWCFXTLKSA-N 1 1 253.317 2.124 20 10 CECDMO C[C@H]1C[N@@H+](Cc2c(O)cccc2F)CCC[C@@H]1O ZINC001137832865 815692875 /nfs/dbraw/zinc/69/28/75/815692875.db2.gz KOQATAAMTAGRJT-GWCFXTLKSA-N 1 1 253.317 2.124 20 10 CECDMO CC[N@H+](Cc1ccc2c(c1)CCCN2C)[C@@H](C)C(=O)OC ZINC001138358953 815774218 /nfs/dbraw/zinc/77/42/18/815774218.db2.gz FFRWFRRDAWGGID-ZDUSSCGKSA-N 1 1 290.407 2.452 20 10 CECDMO CC[N@@H+](Cc1ccc2c(c1)CCCN2C)[C@@H](C)C(=O)OC ZINC001138358953 815774226 /nfs/dbraw/zinc/77/42/26/815774226.db2.gz FFRWFRRDAWGGID-ZDUSSCGKSA-N 1 1 290.407 2.452 20 10 CECDMO CN1CCCc2cc(C[N@@H+](C)[C@@H]3CCOC3)ccc21 ZINC001138358776 815775119 /nfs/dbraw/zinc/77/51/19/815775119.db2.gz ZNKNQZHOFDBTCP-OAHLLOKOSA-N 1 1 260.381 2.290 20 10 CECDMO Oc1cccc2c1C[N@H+](Cc1cccnc1F)CC2 ZINC001138793881 815901681 /nfs/dbraw/zinc/90/16/81/815901681.db2.gz OBIHOYXCJCQUMT-UHFFFAOYSA-N 1 1 258.296 2.485 20 10 CECDMO Oc1cccc2c1C[N@@H+](Cc1cccnc1F)CC2 ZINC001138793881 815901685 /nfs/dbraw/zinc/90/16/85/815901685.db2.gz OBIHOYXCJCQUMT-UHFFFAOYSA-N 1 1 258.296 2.485 20 10 CECDMO NC(=O)c1ccc(Nc2cc[nH+]c3ccccc23)c(O)c1 ZINC001174038958 815905423 /nfs/dbraw/zinc/90/54/23/815905423.db2.gz HJJDDMSHYCFRPI-UHFFFAOYSA-N 1 1 279.299 2.205 20 10 CECDMO Cc1cc(C[N@@H+](C)[C@H]2CCN(C)C2)ccc1N(C)C ZINC001139672801 816075514 /nfs/dbraw/zinc/07/55/14/816075514.db2.gz GIVINCXLRJOFJW-HNNXBMFYSA-N 1 1 261.413 2.197 20 10 CECDMO Cc1cc(CN(C)[C@H]2CC[N@H+](C)C2)ccc1N(C)C ZINC001139672801 816075520 /nfs/dbraw/zinc/07/55/20/816075520.db2.gz GIVINCXLRJOFJW-HNNXBMFYSA-N 1 1 261.413 2.197 20 10 CECDMO Cc1cc(CN(C)[C@H]2CC[N@@H+](C)C2)ccc1N(C)C ZINC001139672801 816075527 /nfs/dbraw/zinc/07/55/27/816075527.db2.gz GIVINCXLRJOFJW-HNNXBMFYSA-N 1 1 261.413 2.197 20 10 CECDMO Cc1ccc(C)c(C[N@H+]2C[C@H](F)C[C@H](CO)C2)c1O ZINC001140178547 816204094 /nfs/dbraw/zinc/20/40/94/816204094.db2.gz OALMPUGQIAVFSH-QWHCGFSZSA-N 1 1 267.344 2.161 20 10 CECDMO CCOC(=O)[C@H]1[C@@H]2C[N@H+](Cc3c(C)ccc(C)c3O)C[C@@H]21 ZINC001140184033 816205940 /nfs/dbraw/zinc/20/59/40/816205940.db2.gz KRHZIAKIZLBEPP-FICVDOATSA-N 1 1 289.375 2.250 20 10 CECDMO Cc1ccc(C)c(C[N@@H+](C)Cc2ccncn2)c1O ZINC001140184997 816207366 /nfs/dbraw/zinc/20/73/66/816207366.db2.gz NSAYQCUXEGAGEC-UHFFFAOYSA-N 1 1 257.337 2.431 20 10 CECDMO CC(=O)N1CCC[C@H]([N@@H+](C)Cc2c(C)ccc(C)c2O)C1 ZINC001140185365 816207578 /nfs/dbraw/zinc/20/75/78/816207578.db2.gz UDEIBXBLGPLRCH-HNNXBMFYSA-N 1 1 290.407 2.452 20 10 CECDMO O=C1NCC[C@]12CCC[N@H+](Cc1ccc(Cl)cc1O)C2 ZINC001140466303 816262619 /nfs/dbraw/zinc/26/26/19/816262619.db2.gz AVOXGUBDYSUQJD-HNNXBMFYSA-N 1 1 294.782 2.148 20 10 CECDMO Cc1ccc(O)c(CN2CC([NH+]3CCC(F)CC3)C2)c1 ZINC001140623422 816306148 /nfs/dbraw/zinc/30/61/48/816306148.db2.gz RNSDEWHUFWXOBU-UHFFFAOYSA-N 1 1 278.371 2.319 20 10 CECDMO OCc1ccc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)o1 ZINC001140683006 816319017 /nfs/dbraw/zinc/31/90/17/816319017.db2.gz ODNBSKOHCHQOHK-UHFFFAOYSA-N 1 1 289.331 2.132 20 10 CECDMO OCc1ccc(C[N@H+]2CCCc3cc(O)c(O)cc3C2)o1 ZINC001140683006 816319024 /nfs/dbraw/zinc/31/90/24/816319024.db2.gz ODNBSKOHCHQOHK-UHFFFAOYSA-N 1 1 289.331 2.132 20 10 CECDMO Cc1c(O)ccc(C[N@@H+](C)CCc2ccccn2)c1O ZINC001140742370 816339321 /nfs/dbraw/zinc/33/93/21/816339321.db2.gz LWRQWBXCRSXNMH-UHFFFAOYSA-N 1 1 272.348 2.476 20 10 CECDMO COC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(O)c(C)c2O)C1 ZINC001140743999 816339559 /nfs/dbraw/zinc/33/95/59/816339559.db2.gz HNYNTJSCYKVZFV-ZWNOBZJWSA-N 1 1 293.363 2.180 20 10 CECDMO Cc1c(O)ccc(CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c1O ZINC001140747975 816341596 /nfs/dbraw/zinc/34/15/96/816341596.db2.gz PVJURACRISOIMW-KGLIPLIRSA-N 1 1 276.380 2.075 20 10 CECDMO Cc1c(O)ccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)N3C)c1O ZINC001140747975 816341603 /nfs/dbraw/zinc/34/16/03/816341603.db2.gz PVJURACRISOIMW-KGLIPLIRSA-N 1 1 276.380 2.075 20 10 CECDMO Cc1c(O)ccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)N3C)c1O ZINC001140747975 816341609 /nfs/dbraw/zinc/34/16/09/816341609.db2.gz PVJURACRISOIMW-KGLIPLIRSA-N 1 1 276.380 2.075 20 10 CECDMO Cc1c(O)ccc(C[N@H+]2CCO[C@@H](C(C)C)C2)c1O ZINC001140748018 816341973 /nfs/dbraw/zinc/34/19/73/816341973.db2.gz RHKRKEJCZWKJNY-CQSZACIVSA-N 1 1 265.353 2.263 20 10 CECDMO Cc1c(O)ccc(C[N@H+](C)[C@@H]2CCCOC2)c1O ZINC001140749548 816343880 /nfs/dbraw/zinc/34/38/80/816343880.db2.gz DKODQTWQZPNALW-GFCCVEGCSA-N 1 1 251.326 2.017 20 10 CECDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@H](CO)C2)c(O)c1 ZINC001140851507 816382221 /nfs/dbraw/zinc/38/22/21/816382221.db2.gz KELYSOARBMPCLK-AWEZNQCLSA-N 1 1 292.423 2.443 20 10 CECDMO CCN(CC)c1ccc(C[NH+]2CCOCC2)c(O)c1 ZINC001140851565 816382514 /nfs/dbraw/zinc/38/25/14/816382514.db2.gz LZQRLOIMBFYXQL-UHFFFAOYSA-N 1 1 264.369 2.071 20 10 CECDMO CCN(CC)c1ccc(C[N@H+]2CCN3CC[C@@H]3C2)c(O)c1 ZINC001140856834 816384594 /nfs/dbraw/zinc/38/45/94/816384594.db2.gz OAOKJNWDNJFXIJ-MRXNPFEDSA-N 1 1 289.423 2.128 20 10 CECDMO CCN(CC)c1ccc(CN2CC[N@@H+]3CC[C@@H]3C2)c(O)c1 ZINC001140856834 816384598 /nfs/dbraw/zinc/38/45/98/816384598.db2.gz OAOKJNWDNJFXIJ-MRXNPFEDSA-N 1 1 289.423 2.128 20 10 CECDMO CCN(CC)c1ccc(CN2CC[N@H+]3CC[C@@H]3C2)c(O)c1 ZINC001140856834 816384603 /nfs/dbraw/zinc/38/46/03/816384603.db2.gz OAOKJNWDNJFXIJ-MRXNPFEDSA-N 1 1 289.423 2.128 20 10 CECDMO Cc1ccc(C[NH+]2CC(Oc3cccnc3)C2)c(O)c1 ZINC001140949384 816422721 /nfs/dbraw/zinc/42/27/21/816422721.db2.gz ANRMQXOGOREQPT-UHFFFAOYSA-N 1 1 270.332 2.359 20 10 CECDMO Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3C)C2)c(O)c1 ZINC001140954071 816424411 /nfs/dbraw/zinc/42/44/11/816424411.db2.gz KQCUYPDIZXMPHZ-DZGCQCFKSA-N 1 1 288.391 2.143 20 10 CECDMO COC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C)cc2O)CC1 ZINC001140954470 816424500 /nfs/dbraw/zinc/42/45/00/816424500.db2.gz SWUMQMCCRCZEJI-CYBMUJFWSA-N 1 1 277.364 2.476 20 10 CECDMO COc1cc(O)c(C[N@H+]2CCC3(CC3)C2)c(OC)c1 ZINC001141026454 816449255 /nfs/dbraw/zinc/44/92/55/816449255.db2.gz QXAULCULSSEEAI-UHFFFAOYSA-N 1 1 263.337 2.395 20 10 CECDMO COc1cc(O)c(C[N@H+]2CCC[C@H](CO)CC2)c(OC)c1 ZINC001141032116 816453161 /nfs/dbraw/zinc/45/31/61/816453161.db2.gz SZENDXLGUBEUCT-LBPRGKRZSA-N 1 1 295.379 2.004 20 10 CECDMO C[N@H+](Cc1cc2c3c(c1)CCCN3CCC2)C1COC1 ZINC001141075890 816471428 /nfs/dbraw/zinc/47/14/28/816471428.db2.gz FKQNATKTJJECMB-UHFFFAOYSA-N 1 1 272.392 2.216 20 10 CECDMO C[N@@H+](Cc1cc2c3c(c1)CCCN3CCC2)C1COC1 ZINC001141075890 816471434 /nfs/dbraw/zinc/47/14/34/816471434.db2.gz FKQNATKTJJECMB-UHFFFAOYSA-N 1 1 272.392 2.216 20 10 CECDMO Cc1[nH+]ccn1CC[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001177554443 816573216 /nfs/dbraw/zinc/57/32/16/816573216.db2.gz YLCNCNQCNWWDFU-UHFFFAOYSA-N 1 1 283.734 2.479 20 10 CECDMO COC(=O)CC1CC[NH+](Cc2cc(F)c(F)cc2O)CC1 ZINC001142512591 816677765 /nfs/dbraw/zinc/67/77/65/816677765.db2.gz FIDCNVAHUWTSOX-UHFFFAOYSA-N 1 1 299.317 2.446 20 10 CECDMO CC[N@H+](CCn1ccnc1)Cc1cc(F)c(F)cc1O ZINC001142530829 816681418 /nfs/dbraw/zinc/68/14/18/816681418.db2.gz MGERSWNZZGHBDZ-UHFFFAOYSA-N 1 1 281.306 2.389 20 10 CECDMO CC[N@@H+](CCn1ccnc1)Cc1cc(F)c(F)cc1O ZINC001142530829 816681423 /nfs/dbraw/zinc/68/14/23/816681423.db2.gz MGERSWNZZGHBDZ-UHFFFAOYSA-N 1 1 281.306 2.389 20 10 CECDMO CN(C)c1ccc(C[N@H+]2CCS[C@H]3COCC[C@@H]32)cc1 ZINC000091855630 364073823 /nfs/dbraw/zinc/07/38/23/364073823.db2.gz QHLHAPBHPGJOGN-HOTGVXAUSA-N 1 1 292.448 2.459 20 10 CECDMO C[NH+](C)C1(CNCc2cc3c(cc2O)OCO3)CCCC1 ZINC000112016939 364769680 /nfs/dbraw/zinc/76/96/80/364769680.db2.gz WBZYVAPMEJBICV-UHFFFAOYSA-N 1 1 292.379 2.085 20 10 CECDMO CNC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000335808071 365010932 /nfs/dbraw/zinc/01/09/32/365010932.db2.gz HTXXFHJVAUNVFL-UHFFFAOYSA-N 1 1 285.391 2.154 20 10 CECDMO C[N@@H+](Cc1ccccc1O)[C@H]1Cc2ccccc2[C@H]1O ZINC000245868980 370882587 /nfs/dbraw/zinc/88/25/87/370882587.db2.gz RBSQWFADHBJVNR-DOTOQJQBSA-N 1 1 269.344 2.482 20 10 CECDMO C[N@@H+](Cc1cc(F)ccc1O)CC1(O)CCCC1 ZINC000180172721 368370055 /nfs/dbraw/zinc/37/00/55/368370055.db2.gz OKRRPDHDAQXBGN-UHFFFAOYSA-N 1 1 253.317 2.268 20 10 CECDMO CCN(CC)c1ccc(C[N@H+]2CC[C@](C)(O)C2)cc1 ZINC000180199428 368371479 /nfs/dbraw/zinc/37/14/79/368371479.db2.gz JFIHHJOOMYJGFE-INIZCTEOSA-N 1 1 262.397 2.490 20 10 CECDMO COC(=O)[C@H]1CCCC[N@H+]1Cc1cccc(C)c1O ZINC000179631486 368344308 /nfs/dbraw/zinc/34/43/08/368344308.db2.gz BTELBUGPAZDWSO-CYBMUJFWSA-N 1 1 263.337 2.228 20 10 CECDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@H]2CC(=O)OC)c1 ZINC000179895483 368357406 /nfs/dbraw/zinc/35/74/06/368357406.db2.gz LOLMQXYCROKZRG-ZDUSSCGKSA-N 1 1 293.363 2.318 20 10 CECDMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000179981392 368361702 /nfs/dbraw/zinc/36/17/02/368361702.db2.gz IISKKMNJWMIFSX-LLVKDONJSA-N 1 1 281.327 2.306 20 10 CECDMO CCCCC[N@@H+](CC(N)=O)Cc1cc(OCC)ccc1O ZINC000180808169 368396056 /nfs/dbraw/zinc/39/60/56/368396056.db2.gz XMWDJZLXOCBMDO-UHFFFAOYSA-N 1 1 294.395 2.268 20 10 CECDMO Cc1cccc(C[N@@H+]([C@@H](C)CS(C)(=O)=O)C2CC2)c1O ZINC000180244959 368375231 /nfs/dbraw/zinc/37/52/31/368375231.db2.gz JZWFZRCRWGUTCM-LBPRGKRZSA-N 1 1 297.420 2.098 20 10 CECDMO Cc1cccc(C[N@H+]([C@@H](C)CS(C)(=O)=O)C2CC2)c1O ZINC000180244959 368375234 /nfs/dbraw/zinc/37/52/34/368375234.db2.gz JZWFZRCRWGUTCM-LBPRGKRZSA-N 1 1 297.420 2.098 20 10 CECDMO CCC[C@@]1(C)C(=O)NCC[N@@H+]1Cc1cccc(C)c1O ZINC000189040215 369446933 /nfs/dbraw/zinc/44/69/33/369446933.db2.gz PPBJFDANGPOQBT-INIZCTEOSA-N 1 1 276.380 2.191 20 10 CECDMO Oc1ccccc1C[NH2+]C1CCN(C2CCC2)CC1 ZINC000263659934 371944818 /nfs/dbraw/zinc/94/48/18/371944818.db2.gz GWSWWNYGWDEZDE-UHFFFAOYSA-N 1 1 260.381 2.499 20 10 CECDMO Oc1cc2c(cc1C[N@H+]1CCC3(C1)CCOCC3)OCO2 ZINC000266476390 372048204 /nfs/dbraw/zinc/04/82/04/372048204.db2.gz UGYZUGVIJRQMFR-UHFFFAOYSA-N 1 1 291.347 2.123 20 10 CECDMO CC[C@H](C)[N@@H+](CCO)Cc1ccc(N(C)C)cc1 ZINC000267153221 372057745 /nfs/dbraw/zinc/05/77/45/372057745.db2.gz NCQWUVWQZNOKRX-ZDUSSCGKSA-N 1 1 250.386 2.345 20 10 CECDMO Oc1ccc(F)cc1C[NH2+][C@@H]1CCCc2c[nH]nc21 ZINC000272242694 373380522 /nfs/dbraw/zinc/38/05/22/373380522.db2.gz AWDAFGNSUGVBEV-GFCCVEGCSA-N 1 1 261.300 2.422 20 10 CECDMO Cc1nc(CC[NH2+][C@H](C)c2ccc(N(C)C)cc2)n[nH]1 ZINC000272564347 373553335 /nfs/dbraw/zinc/55/33/35/373553335.db2.gz ODCVRBGZTMXTLB-LLVKDONJSA-N 1 1 273.384 2.072 20 10 CECDMO Cc1nnc(CC[NH2+][C@H](C)c2ccc(N(C)C)cc2)[nH]1 ZINC000272564347 373553337 /nfs/dbraw/zinc/55/33/37/373553337.db2.gz ODCVRBGZTMXTLB-LLVKDONJSA-N 1 1 273.384 2.072 20 10 CECDMO COC(=O)c1ccc(C[N@@H+](C)Cc2ccccc2O)[nH]1 ZINC000272766114 373649444 /nfs/dbraw/zinc/64/94/44/373649444.db2.gz RHHCVYXCNWDWOZ-UHFFFAOYSA-N 1 1 274.320 2.139 20 10 CECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCCCO2)c1 ZINC000273422117 373758277 /nfs/dbraw/zinc/75/82/77/373758277.db2.gz SLVCIJVRSVKYPT-AAEUAGOBSA-N 1 1 293.363 2.399 20 10 CECDMO Cc1nc(CC[NH2+][C@H](C)c2cc(Cl)ccc2O)n[nH]1 ZINC000273499058 373760132 /nfs/dbraw/zinc/76/01/32/373760132.db2.gz YKGORZBAHYYAPQ-MRVPVSSYSA-N 1 1 280.759 2.365 20 10 CECDMO COC[C@@H]([NH2+][C@H](C)c1cc(C(=O)OC)ccc1O)C1CC1 ZINC000273460337 373760248 /nfs/dbraw/zinc/76/02/48/373760248.db2.gz HXVVEYKFUNRLCA-QMTHXVAHSA-N 1 1 293.363 2.254 20 10 CECDMO CN(C)c1ccc(CN2CC[C@H]3CC[N@@H+](C)[C@H]3C2)cc1 ZINC000371489303 373901038 /nfs/dbraw/zinc/90/10/38/373901038.db2.gz 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/nfs/dbraw/zinc/54/78/38/374547838.db2.gz CIHHSNJUYBTYFB-SNVBAGLBSA-N 1 1 281.327 2.202 20 10 CECDMO CC(=O)c1cc(F)cc(C[N@@H+]2CCOC[C@H](C)C2)c1O ZINC000374351429 374547844 /nfs/dbraw/zinc/54/78/44/374547844.db2.gz CIHHSNJUYBTYFB-SNVBAGLBSA-N 1 1 281.327 2.202 20 10 CECDMO CNC(=O)[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccccc1O ZINC000374872749 374632886 /nfs/dbraw/zinc/63/28/86/374632886.db2.gz FHZMKZZZAMLHNW-INIZCTEOSA-N 1 1 296.370 2.065 20 10 CECDMO CN(C)c1ccc(C[N@H+]2CCO[C@@H](C3CC3)C2)cc1 ZINC000375331408 374653505 /nfs/dbraw/zinc/65/35/05/374653505.db2.gz KDKIWVZTEUBBPM-MRXNPFEDSA-N 1 1 260.381 2.363 20 10 CECDMO C[N@H+]1CC[C@@H]2CCN(Cc3cccc(F)c3O)C[C@@H]21 ZINC000378488717 375114697 /nfs/dbraw/zinc/11/46/97/375114697.db2.gz BIFCYWKXWBFESD-RISCZKNCSA-N 1 1 264.344 2.057 20 10 CECDMO COc1cccc(C[NH2+]Cc2ncnn2C(C)(C)C)c1O ZINC000282543741 375513480 /nfs/dbraw/zinc/51/34/80/375513480.db2.gz CJAFFBSKEOKDPZ-UHFFFAOYSA-N 1 1 290.367 2.037 20 10 CECDMO CC[C@@H]([NH2+][C@H](C)CN1CCOCC1)c1ccc(F)cc1O ZINC000285683213 375842160 /nfs/dbraw/zinc/84/21/60/375842160.db2.gz OAVBIOCDYLPFAX-IUODEOHRSA-N 1 1 296.386 2.293 20 10 CECDMO COc1cccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)c1O ZINC000289258225 376391681 /nfs/dbraw/zinc/39/16/81/376391681.db2.gz FNELPXICAFQNOW-YIONKMFJSA-N 1 1 290.407 2.458 20 10 CECDMO COc1cccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)c1O ZINC000289258225 376391689 /nfs/dbraw/zinc/39/16/89/376391689.db2.gz FNELPXICAFQNOW-YIONKMFJSA-N 1 1 290.407 2.458 20 10 CECDMO C[C@@H](CO)[N@H+](Cc1cc2c(cc1O)OCO2)CC1CCC1 ZINC000289345036 376393386 /nfs/dbraw/zinc/39/33/86/376393386.db2.gz IJTYYIOYBMLHRJ-NSHDSACASA-N 1 1 293.363 2.104 20 10 CECDMO COC[C@@H]1C[N@@H+](Cc2ccc(N(C)C)c(C)c2)C[C@@H](C)O1 ZINC000294699761 378014792 /nfs/dbraw/zinc/01/47/92/378014792.db2.gz UJUMXWKMWZJUPD-ZBFHGGJFSA-N 1 1 292.423 2.297 20 10 CECDMO CN(C)c1ccc(C[NH2+][C@@H]2CCn3ccnc32)cc1 ZINC000294294591 377970563 /nfs/dbraw/zinc/97/05/63/377970563.db2.gz ZJXGGXMINOVNBF-CQSZACIVSA-N 1 1 256.353 2.184 20 10 CECDMO C[C@@H]1C[N@H+](Cc2cc(-c3ccccc3)ccc2O)CC(=O)N1 ZINC000294970949 378032572 /nfs/dbraw/zinc/03/25/72/378032572.db2.gz JCEGTORNQQGRAD-CYBMUJFWSA-N 1 1 296.370 2.380 20 10 CECDMO C[C@@H]1C[N@@H+](Cc2cc(-c3ccccc3)ccc2O)CC(=O)N1 ZINC000294970949 378032577 /nfs/dbraw/zinc/03/25/77/378032577.db2.gz JCEGTORNQQGRAD-CYBMUJFWSA-N 1 1 296.370 2.380 20 10 CECDMO CN(C)C(=O)O[C@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000294817035 378021106 /nfs/dbraw/zinc/02/11/06/378021106.db2.gz ONXPXXXYXOCQCZ-ZDUSSCGKSA-N 1 1 296.342 2.194 20 10 CECDMO COC(=O)[C@@H](C)C[N@@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000295497263 378183996 /nfs/dbraw/zinc/18/39/96/378183996.db2.gz YBMINVIBHRSVAF-QMMMGPOBSA-N 1 1 289.734 2.426 20 10 CECDMO COC(=O)[C@@H](C)C[N@H+](C)Cc1cc(Cl)c(F)cc1O ZINC000295497263 378183999 /nfs/dbraw/zinc/18/39/99/378183999.db2.gz YBMINVIBHRSVAF-QMMMGPOBSA-N 1 1 289.734 2.426 20 10 CECDMO COC(=O)[C@@H](C)C[N@@H+](C)Cc1cc(Cl)c(F)cc1O ZINC000295497263 378184004 /nfs/dbraw/zinc/18/40/04/378184004.db2.gz YBMINVIBHRSVAF-QMMMGPOBSA-N 1 1 289.734 2.426 20 10 CECDMO CC[N@@H+](CC(=O)NCc1ccc(N(C)C)cc1)C(C)C ZINC000298168279 378694762 /nfs/dbraw/zinc/69/47/62/378694762.db2.gz QFTMVFVESPDKMR-UHFFFAOYSA-N 1 1 277.412 2.099 20 10 CECDMO CCOC[C@@H]1C[N@@H+](Cc2cc(C)c(C)cc2O)CCO1 ZINC000529666381 380183117 /nfs/dbraw/zinc/18/31/17/380183117.db2.gz KFFAUCRSVUIGSN-HNNXBMFYSA-N 1 1 279.380 2.246 20 10 CECDMO COC(=O)CC[N@@H+](Cc1cc(C)ccc1O)C(C)C ZINC000093384058 394666363 /nfs/dbraw/zinc/66/63/63/394666363.db2.gz QDSAETIJYSBXTC-UHFFFAOYSA-N 1 1 265.353 2.474 20 10 CECDMO C[C@@H](O)C[C@H]1CCC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000093481988 394666952 /nfs/dbraw/zinc/66/69/52/394666952.db2.gz GBKHNOHONYHFIY-CZUORRHYSA-N 1 1 262.397 2.488 20 10 CECDMO CCOc1ccc(O)c(C[N@@H+](C)C[C@H]2CCOC2)c1 ZINC000093840296 394668562 /nfs/dbraw/zinc/66/85/62/394668562.db2.gz GZHVBEFBSYBSTM-GFCCVEGCSA-N 1 1 265.353 2.259 20 10 CECDMO Cc1c(C[N@H+](C)Cc2ccc(N(C)C)cc2)cnn1C ZINC000119907367 394772704 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CCOC(=O)CC[N@H+]1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000373121163 267640304 /nfs/dbraw/zinc/64/03/04/267640304.db2.gz IEBSCJSZRIQBHK-UHFFFAOYSA-N 1 1 288.391 2.405 20 10 CECDMO COc1cc(O)c(C[N@@H+]2CCC[C@@H](OC)CC2)cc1OC ZINC000377242722 268059053 /nfs/dbraw/zinc/05/90/53/268059053.db2.gz HVLUKYKDCAJXAE-CYBMUJFWSA-N 1 1 295.379 2.410 20 10 CECDMO COC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000292962351 277389688 /nfs/dbraw/zinc/38/96/88/277389688.db2.gz CVJPOFVZCAAKOC-OAHLLOKOSA-N 1 1 276.380 2.198 20 10 CECDMO COC(=O)[C@H]1CCC[N@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000292962351 277389690 /nfs/dbraw/zinc/38/96/90/277389690.db2.gz CVJPOFVZCAAKOC-OAHLLOKOSA-N 1 1 276.380 2.198 20 10 CECDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCC[N@H+]1C ZINC000264591446 279236701 /nfs/dbraw/zinc/23/67/01/279236701.db2.gz AVQGAWWUNSWFSW-INIZCTEOSA-N 1 1 289.423 2.195 20 10 CECDMO C[C@H]([NH2+]Cc1ccc2c(c1)CCN2C)c1nccn1C ZINC000368739037 327888868 /nfs/dbraw/zinc/88/88/68/327888868.db2.gz FYSKJQIMXZBIGG-LBPRGKRZSA-N 1 1 270.380 2.263 20 10 CECDMO Cc1cccc(C[N@H+]2CCOC[C@H]2[C@@H]2CCCO2)c1O ZINC000377706849 329026262 /nfs/dbraw/zinc/02/62/62/329026262.db2.gz ZHRJAIVLNYIQDY-GJZGRUSLSA-N 1 1 277.364 2.080 20 10 CECDMO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3cc(F)ccc3O)[C@@H]2C1 ZINC000180287390 329219322 /nfs/dbraw/zinc/21/93/22/329219322.db2.gz ZHQBDFUDNPYIQU-IIAWOOMASA-N 1 1 295.354 2.300 20 10 CECDMO C[C@H]([NH2+][C@@H]1CCCC[C@H]1O)c1ccc(F)cc1O ZINC000186801572 329349205 /nfs/dbraw/zinc/34/92/05/329349205.db2.gz PAKIPIQDDAGNOZ-ZWKOPEQDSA-N 1 1 253.317 2.485 20 10 CECDMO C[C@@H]1CN2CCCC[C@@H]2C[N@H+]1Cc1ccccc1O ZINC000211568715 333091415 /nfs/dbraw/zinc/09/14/15/333091415.db2.gz CBSUAOHFZPUPPT-UKRRQHHQSA-N 1 1 260.381 2.451 20 10 CECDMO C[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1cccc(F)c1O ZINC000252778044 334392374 /nfs/dbraw/zinc/39/23/74/334392374.db2.gz QRWBOWLVPZGMEJ-AAEUAGOBSA-N 1 1 264.344 2.200 20 10 CECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC[C@@H](C)CCO)c1 ZINC000297284346 534231962 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C[C@H]1[C@H]([NH+]2CCCC2)CCN1Cc1ccccc1O ZINC000289925655 525106826 /nfs/dbraw/zinc/10/68/26/525106826.db2.gz WAPAWFKKSZUNND-DZGCQCFKSA-N 1 1 260.381 2.451 20 10 CECDMO C[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCN3C)CCN1C ZINC000157680437 525443360 /nfs/dbraw/zinc/44/33/60/525443360.db2.gz ADBLIDFOSXVYOJ-CZUORRHYSA-N 1 1 273.424 2.251 20 10 CECDMO C[C@@H]([NH2+][C@@H](C)c1ncnn1C)c1ccc(N(C)C)cc1 ZINC000276592860 525624427 /nfs/dbraw/zinc/62/44/27/525624427.db2.gz JKYVVSXEUHZQDE-NEPJUHHUSA-N 1 1 273.384 2.293 20 10 CECDMO CN(C)c1cc(NC(=O)C2=CC(=O)CS2)cc[nH+]1 ZINC000748509722 575188267 /nfs/dbraw/zinc/18/82/67/575188267.db2.gz HIOAWECTWZGVGC-UHFFFAOYSA-N 1 1 263.322 2.167 20 10 CECDMO CC[C@]1(C)C[N@H+](Cc2cc(OC)c(OC)cc2O)CCO1 ZINC000190326907 624987141 /nfs/dbraw/zinc/98/71/41/624987141.db2.gz ZDJMDKFDDUGOJS-MRXNPFEDSA-N 1 1 295.379 2.410 20 10 CECDMO CC[C@]1(C)C[N@@H+](Cc2cc(OC)c(OC)cc2O)CCO1 ZINC000190326907 624987143 /nfs/dbraw/zinc/98/71/43/624987143.db2.gz ZDJMDKFDDUGOJS-MRXNPFEDSA-N 1 1 295.379 2.410 20 10 CECDMO C[C@H]([NH3+])[C@@H](NCCc1ccc(N)cc1)c1ccccc1 ZINC000925692502 628510414 /nfs/dbraw/zinc/51/04/14/628510414.db2.gz LPCYNFBNMXSUTP-SUMWQHHRSA-N 1 1 269.392 2.489 20 10 CECDMO Oc1c(F)cc(F)cc1CN1CC[NH+](CC2CC2)CC1 ZINC000893962568 629059150 /nfs/dbraw/zinc/05/91/50/629059150.db2.gz NHCYXEDEISBOHV-UHFFFAOYSA-N 1 1 282.334 2.198 20 10 CECDMO Cc1cccc(O)c1C[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000877528299 629179714 /nfs/dbraw/zinc/17/97/14/629179714.db2.gz WWDGHWCBDPWJAQ-NSHDSACASA-N 1 1 263.259 2.056 20 10 CECDMO COc1cc(C)cc(CN[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1O ZINC000894181063 629195630 /nfs/dbraw/zinc/19/56/30/629195630.db2.gz PAACHJLQFBUVAO-GJZGRUSLSA-N 1 1 290.407 2.426 20 10 CECDMO COc1cc(C)cc(CN[C@H]2CC[N@H+]3CCCC[C@@H]23)c1O ZINC000894181063 629195632 /nfs/dbraw/zinc/19/56/32/629195632.db2.gz PAACHJLQFBUVAO-GJZGRUSLSA-N 1 1 290.407 2.426 20 10 CECDMO COc1cc(C)cc(CN[C@H]2CC[N@@H+]3CCCC[C@H]23)c1O ZINC000894181067 629195702 /nfs/dbraw/zinc/19/57/02/629195702.db2.gz PAACHJLQFBUVAO-LSDHHAIUSA-N 1 1 290.407 2.426 20 10 CECDMO COc1cc(C)cc(CN[C@H]2CC[N@H+]3CCCC[C@H]23)c1O ZINC000894181067 629195706 /nfs/dbraw/zinc/19/57/06/629195706.db2.gz PAACHJLQFBUVAO-LSDHHAIUSA-N 1 1 290.407 2.426 20 10 CECDMO COc1ccc(N2CCC([NH2+]Cc3c[nH]cn3)CC2)cc1 ZINC000894216192 629231626 /nfs/dbraw/zinc/23/16/26/629231626.db2.gz JRYFRNDJMYSFDP-UHFFFAOYSA-N 1 1 286.379 2.177 20 10 CECDMO COc1ccc(C[N@H+](C)[C@H]2C[C@@H](OC)C2)c(O)c1OC ZINC000894398251 629431210 /nfs/dbraw/zinc/43/12/10/629431210.db2.gz RWMZDYIRYYHIKS-TXEJJXNPSA-N 1 1 281.352 2.019 20 10 CECDMO CCOC(=O)[C@H]1CCC[N@@H+]1Cc1cc(C)cc(OC)c1O ZINC000894470573 629480720 /nfs/dbraw/zinc/48/07/20/629480720.db2.gz NICLJDGQEYERAV-CYBMUJFWSA-N 1 1 293.363 2.237 20 10 CECDMO CCOC(=O)[C@H]1CCC[N@H+]1Cc1cc(C)cc(OC)c1O ZINC000894470573 629480721 /nfs/dbraw/zinc/48/07/21/629480721.db2.gz NICLJDGQEYERAV-CYBMUJFWSA-N 1 1 293.363 2.237 20 10 CECDMO COc1cc(C)cc(C[N@H+]2CCC[C@H]2CCO)c1O ZINC000894499185 629494277 /nfs/dbraw/zinc/49/42/77/629494277.db2.gz GDTHSWXDKZQKSE-ZDUSSCGKSA-N 1 1 265.353 2.056 20 10 CECDMO Cc1nnc([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2C)[nH]1 ZINC000894779440 629635392 /nfs/dbraw/zinc/63/53/92/629635392.db2.gz YNXLEWIGZOBOBN-LLVKDONJSA-N 1 1 273.384 2.338 20 10 CECDMO CC1(C)[C@@H](O)CC[N@@H+]1Cc1cc(F)cc(F)c1O ZINC000894816416 629650542 /nfs/dbraw/zinc/65/05/42/629650542.db2.gz VFLNNNGIJXJTFT-NSHDSACASA-N 1 1 257.280 2.016 20 10 CECDMO CC1(C)[C@@H](O)CC[N@H+]1Cc1cc(F)cc(F)c1O ZINC000894816416 629650544 /nfs/dbraw/zinc/65/05/44/629650544.db2.gz VFLNNNGIJXJTFT-NSHDSACASA-N 1 1 257.280 2.016 20 10 CECDMO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)c1cnn(C)n1 ZINC000925082045 629662448 /nfs/dbraw/zinc/66/24/48/629662448.db2.gz TXJKGVDDTLPSDM-LBPRGKRZSA-N 1 1 273.384 2.040 20 10 CECDMO Oc1cc2c(cc1C[N@H+]1C[C@@H]3CCC[C@@H]3C1)[C@H](O)CO2 ZINC000902654438 634759640 /nfs/dbraw/zinc/75/96/40/634759640.db2.gz MIJNPPHXCUEMKI-JRPNMDOOSA-N 1 1 275.348 2.050 20 10 CECDMO COc1cc(C)cc(C[N@H+]2CC[C@@H](CCCO)C2)c1O ZINC000894956736 629766876 /nfs/dbraw/zinc/76/68/76/629766876.db2.gz LAOZJFPFFQFHMQ-CYBMUJFWSA-N 1 1 279.380 2.304 20 10 CECDMO Cc1nnc([C@H]2CC[N@@H+](Cc3cc(Cl)ccc3O)C2)[nH]1 ZINC000895007514 629799239 /nfs/dbraw/zinc/79/92/39/629799239.db2.gz JTALZXLTVCZJIB-JTQLQIEISA-N 1 1 292.770 2.462 20 10 CECDMO Cc1n[nH]c([C@H]2CC[N@H+](Cc3cc(Cl)ccc3O)C2)n1 ZINC000895007514 629799241 /nfs/dbraw/zinc/79/92/41/629799241.db2.gz JTALZXLTVCZJIB-JTQLQIEISA-N 1 1 292.770 2.462 20 10 CECDMO Cc1n[nH]c([C@H]2CC[N@@H+](Cc3cc(Cl)ccc3O)C2)n1 ZINC000895007514 629799245 /nfs/dbraw/zinc/79/92/45/629799245.db2.gz JTALZXLTVCZJIB-JTQLQIEISA-N 1 1 292.770 2.462 20 10 CECDMO COc1ccc(C[N@@H+]2CCC[C@H](F)C2)c(O)c1OC ZINC000895192062 630022531 /nfs/dbraw/zinc/02/25/31/630022531.db2.gz WYJLOKAIIXFUGY-NSHDSACASA-N 1 1 269.316 2.343 20 10 CECDMO COc1ccc(C[N@H+]2CCC[C@H](F)C2)c(O)c1OC ZINC000895192062 630022536 /nfs/dbraw/zinc/02/25/36/630022536.db2.gz WYJLOKAIIXFUGY-NSHDSACASA-N 1 1 269.316 2.343 20 10 CECDMO Cc1cccc(C[N@H+]2CC[C@@](CO)(C(F)(F)F)C2)c1O ZINC000895836559 630371640 /nfs/dbraw/zinc/37/16/40/630371640.db2.gz MMFLQYZBNGQGKX-CYBMUJFWSA-N 1 1 289.297 2.447 20 10 CECDMO Cc1cccc(C[N@H+]2[C@H](C)C(=O)N(C)[C@H](C)[C@@H]2C)c1O ZINC000895919259 630403089 /nfs/dbraw/zinc/40/30/89/630403089.db2.gz DZTKFHKSXWQRBO-FRRDWIJNSA-N 1 1 276.380 2.140 20 10 CECDMO COc1ccc(C[N@H+]2CC[C@@H](C(C)(C)O)C2)c(O)c1OC ZINC000895953759 630417362 /nfs/dbraw/zinc/41/73/62/630417362.db2.gz PRBDCBIUPWMROR-GFCCVEGCSA-N 1 1 295.379 2.002 20 10 CECDMO COC(=O)C[C@@H]1C[N@@H+](Cc2ccc(C)cc2O)C[C@H]1C ZINC000896470452 630569721 /nfs/dbraw/zinc/56/97/21/630569721.db2.gz RIBSXCAQWXTILB-TZMCWYRMSA-N 1 1 277.364 2.332 20 10 CECDMO COc1ccc(O)c(C[NH2+][C@@H](c2ncccn2)C2CC2)c1 ZINC000896598993 630610235 /nfs/dbraw/zinc/61/02/35/630610235.db2.gz NCTKJFHTHGBUKG-OAHLLOKOSA-N 1 1 285.347 2.432 20 10 CECDMO C[C@@H]1COC[C@H]1[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000896735311 630652419 /nfs/dbraw/zinc/65/24/19/630652419.db2.gz ZJNQTGPPAOYSEZ-RDDDGLTNSA-N 1 1 259.708 2.309 20 10 CECDMO CCn1cnc2c1CC[N@H+](Cc1c(C)cccc1O)C2 ZINC000897334456 631135524 /nfs/dbraw/zinc/13/55/24/631135524.db2.gz UQSZKWLMYPAGGK-UHFFFAOYSA-N 1 1 271.364 2.475 20 10 CECDMO CCn1cnc2c1CC[N@@H+](Cc1c(C)cccc1O)C2 ZINC000897334456 631135527 /nfs/dbraw/zinc/13/55/27/631135527.db2.gz UQSZKWLMYPAGGK-UHFFFAOYSA-N 1 1 271.364 2.475 20 10 CECDMO CCOc1ccc(O)c(C[N@@H+]2CCOCC23CC3)c1 ZINC000802658467 631441797 /nfs/dbraw/zinc/44/17/97/631441797.db2.gz CZOAQAXPOLQFPP-UHFFFAOYSA-N 1 1 263.337 2.156 20 10 CECDMO CCOc1ccc(O)c(C[N@H+]2CCOCC23CC3)c1 ZINC000802658467 631441800 /nfs/dbraw/zinc/44/18/00/631441800.db2.gz CZOAQAXPOLQFPP-UHFFFAOYSA-N 1 1 263.337 2.156 20 10 CECDMO CCN(C)c1ccc([C@H](C)[NH2+]Cc2cnn(C)n2)cc1 ZINC000806165213 631721928 /nfs/dbraw/zinc/72/19/28/631721928.db2.gz DVHGVEURPFWWGD-LBPRGKRZSA-N 1 1 273.384 2.122 20 10 CECDMO C[N@H+]1CCCC[C@@H]1CCC(=O)NCc1ccccc1O ZINC000806717508 631768283 /nfs/dbraw/zinc/76/82/83/631768283.db2.gz IMLQAJXWAMGYLA-CQSZACIVSA-N 1 1 276.380 2.273 20 10 CECDMO Cc1cc(O)c(C[N@H+]2C[C@@H]3CCC[C@]3(C(N)=O)C2)cc1C ZINC000897623358 631829496 /nfs/dbraw/zinc/82/94/96/631829496.db2.gz CYGDLSZQDOSTDQ-YOEHRIQHSA-N 1 1 288.391 2.096 20 10 CECDMO CCOC1CC([N@@H+](C)Cc2c(O)cccc2OC)C1 ZINC000809773477 632144434 /nfs/dbraw/zinc/14/44/34/632144434.db2.gz DJAXYFNMBTXQFR-UHFFFAOYSA-N 1 1 265.353 2.400 20 10 CECDMO CC(=O)NCC[C@H]1CCC[N@@H+](Cc2cc(C)ccc2O)C1 ZINC000809778158 632144643 /nfs/dbraw/zinc/14/46/43/632144643.db2.gz LBFQDFFNHQNYHA-OAHLLOKOSA-N 1 1 290.407 2.439 20 10 CECDMO COc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)c1O ZINC000322848867 632245399 /nfs/dbraw/zinc/24/53/99/632245399.db2.gz OISSSAUTMAODOZ-AGUYFDCRSA-N 1 1 276.380 2.116 20 10 CECDMO CCO[C@H](CN[C@H](C)c1ccc(N(C)C)cc1)C[NH+](C)C ZINC000926959244 632386206 /nfs/dbraw/zinc/38/62/06/632386206.db2.gz AOUJNJBYVSBQHB-RHSMWYFYSA-N 1 1 293.455 2.370 20 10 CECDMO CCO[C@@H](CN[C@@H](C)c1cccc(OC)c1O)C[NH+](C)C ZINC000926964309 632392604 /nfs/dbraw/zinc/39/26/04/632392604.db2.gz WYDQZNBCEIOSEU-STQMWFEESA-N 1 1 296.411 2.018 20 10 CECDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)C1=CC(=O)CS1 ZINC000811583511 632403780 /nfs/dbraw/zinc/40/37/80/632403780.db2.gz LBAARMLLGVZNHO-JTQLQIEISA-N 1 1 270.398 2.304 20 10 CECDMO CC[C@@H]1C(=O)NCCC[N@H+]1Cc1cc(Cl)ccc1O ZINC000898541798 632532022 /nfs/dbraw/zinc/53/20/22/632532022.db2.gz PIBUCFILIBMYDU-GFCCVEGCSA-N 1 1 282.771 2.146 20 10 CECDMO CC[C@@H]1C(=O)NCCC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000898541798 632532027 /nfs/dbraw/zinc/53/20/27/632532027.db2.gz PIBUCFILIBMYDU-GFCCVEGCSA-N 1 1 282.771 2.146 20 10 CECDMO CCOc1ccc(C[N@@H+]2CC[C@@]3(CCN(C)C3)C2)c(O)c1 ZINC000814178080 632800649 /nfs/dbraw/zinc/80/06/49/632800649.db2.gz BDIADBRDGCSSPR-QGZVFWFLSA-N 1 1 290.407 2.319 20 10 CECDMO CCOc1ccc(C[N@H+]2CC[C@@]3(CCN(C)C3)C2)c(O)c1 ZINC000814178080 632800654 /nfs/dbraw/zinc/80/06/54/632800654.db2.gz BDIADBRDGCSSPR-QGZVFWFLSA-N 1 1 290.407 2.319 20 10 CECDMO Cc1cc(C[N@H+]2CCC[C@]2(C)CO)ccc1N(C)C ZINC000815093033 632956923 /nfs/dbraw/zinc/95/69/23/632956923.db2.gz ZTBQAWFDQRBNHQ-MRXNPFEDSA-N 1 1 262.397 2.408 20 10 CECDMO Cn1ncc(CCC[NH2+]Cc2c(O)ccc(Cl)c2F)n1 ZINC000815145315 632971734 /nfs/dbraw/zinc/97/17/34/632971734.db2.gz RPWFHSAGAQUKIC-UHFFFAOYSA-N 1 1 298.749 2.036 20 10 CECDMO C[C@@H]1C[N@H+](Cc2cc(Cl)c(F)cc2O)CC[C@H]1O ZINC000816574987 633416077 /nfs/dbraw/zinc/41/60/77/633416077.db2.gz YQQODRUZYAVXDW-PRHODGIISA-N 1 1 273.735 2.387 20 10 CECDMO C[C@@H]1C[N@@H+](Cc2cc(Cl)c(F)cc2O)CC[C@H]1O ZINC000816574987 633416080 /nfs/dbraw/zinc/41/60/80/633416080.db2.gz YQQODRUZYAVXDW-PRHODGIISA-N 1 1 273.735 2.387 20 10 CECDMO COc1ccc(O)c(C[N@H+]2CCC[C@@H](CCO)CC2)c1 ZINC000817419912 633656329 /nfs/dbraw/zinc/65/63/29/633656329.db2.gz ZNANWCDAOBFLGB-CYBMUJFWSA-N 1 1 279.380 2.385 20 10 CECDMO C[C@@H]([NH2+]CCC[NH3+])c1ccc(Br)cc1[O-] ZINC000817938004 633788630 /nfs/dbraw/zinc/78/86/30/633788630.db2.gz BDODQYITJZATOA-MRVPVSSYSA-N 1 1 273.174 2.154 20 10 CECDMO C[C@H]([NH2+]CCC[NH3+])c1ccc(Br)cc1[O-] ZINC000817938005 633789167 /nfs/dbraw/zinc/78/91/67/633789167.db2.gz BDODQYITJZATOA-QMMMGPOBSA-N 1 1 273.174 2.154 20 10 CECDMO CN(C)c1ccc([C@H](N)C[NH2+][C@@H]2CCCc3n[nH]cc32)cc1 ZINC000817941815 633789434 /nfs/dbraw/zinc/78/94/34/633789434.db2.gz LBBIIRQQCUUQCN-HZPDHXFCSA-N 1 1 299.422 2.143 20 10 CECDMO C[C@H](NC[C@@H]1C[C@H](F)C[NH2+]1)c1ccc(N(C)C)cc1 ZINC000817976387 633819057 /nfs/dbraw/zinc/81/90/57/633819057.db2.gz KZMLFDAJMPGDEB-UBHSHLNASA-N 1 1 265.376 2.103 20 10 CECDMO C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(Br)cc1[O-] ZINC000817977281 633819738 /nfs/dbraw/zinc/81/97/38/633819738.db2.gz GBZZKCBGNHJJPV-XDRUHAPNSA-N 1 1 297.196 2.023 20 10 CECDMO CC[C@H](NC[C@H]1C[NH2+]CCCO1)c1ccc(C)cc1O ZINC000817982467 633824530 /nfs/dbraw/zinc/82/45/30/633824530.db2.gz SSIJGZIHVRKEEZ-HIFRSBDPSA-N 1 1 278.396 2.120 20 10 CECDMO Cc1cc(C)c([C@@H](C)NC[C@@H]2C[NH2+]CCCO2)c(O)c1 ZINC000817981906 633824778 /nfs/dbraw/zinc/82/47/78/633824778.db2.gz OIUGOSWZPSSULL-KGLIPLIRSA-N 1 1 278.396 2.038 20 10 CECDMO Cc1cc(NC(=O)c2cccc(O)c2O)cn2cc[nH+]c12 ZINC000818043413 633847681 /nfs/dbraw/zinc/84/76/81/633847681.db2.gz DGFLNYBLSNAPCP-UHFFFAOYSA-N 1 1 283.287 2.306 20 10 CECDMO CCOc1ccc(O)c(C[NH2+]Cc2nn(CC)nc2C)c1 ZINC000818221605 633887788 /nfs/dbraw/zinc/88/77/88/633887788.db2.gz QLRPHDIMUWDREU-UHFFFAOYSA-N 1 1 290.367 2.001 20 10 CECDMO Cc1cc(C[N@H+](C)C2(CN)CCOCC2)ccc1N(C)C ZINC000903809613 635283513 /nfs/dbraw/zinc/28/35/13/635283513.db2.gz HPGUGCSYARWQLS-UHFFFAOYSA-N 1 1 291.439 2.001 20 10 CECDMO Cc1cc(C[N@@H+](C)C2(CN)CCOCC2)ccc1N(C)C ZINC000903809613 635283516 /nfs/dbraw/zinc/28/35/16/635283516.db2.gz HPGUGCSYARWQLS-UHFFFAOYSA-N 1 1 291.439 2.001 20 10 CECDMO C[N@H+]1CC[C@@H](CC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000824213513 635376718 /nfs/dbraw/zinc/37/67/18/635376718.db2.gz QBUAHUAXAFFAPH-JTQLQIEISA-N 1 1 282.771 2.004 20 10 CECDMO C[N@H+]1CCCC[C@H]1C(=O)NCc1cc(Cl)ccc1O ZINC000824212966 635377008 /nfs/dbraw/zinc/37/70/08/635377008.db2.gz DUIZHHJUSYAGCY-LBPRGKRZSA-N 1 1 282.771 2.146 20 10 CECDMO CCOc1cccc(CNCc2cc(N)cc[nH+]2)c1O ZINC000903950180 635383303 /nfs/dbraw/zinc/38/33/03/635383303.db2.gz JRQWOGXUNWICLH-UHFFFAOYSA-N 1 1 273.336 2.058 20 10 CECDMO Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@@H](N)C(C)(C)C1 ZINC000903987040 635405322 /nfs/dbraw/zinc/40/53/22/635405322.db2.gz XGYPUDWTTHRHAK-OAHLLOKOSA-N 1 1 261.413 2.230 20 10 CECDMO Cc1cc(N(C)C)ccc1C[N@H+]1C[C@@H](N)C(C)(C)C1 ZINC000903987040 635405329 /nfs/dbraw/zinc/40/53/29/635405329.db2.gz XGYPUDWTTHRHAK-OAHLLOKOSA-N 1 1 261.413 2.230 20 10 CECDMO CCNC(=O)C[N@@H+](CC)Cc1cc(Cl)c(C)cc1O ZINC000824529083 635443594 /nfs/dbraw/zinc/44/35/94/635443594.db2.gz HFAIEKKZTRHNQN-UHFFFAOYSA-N 1 1 284.787 2.312 20 10 CECDMO CC[C@@H](CO)[N@@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000824533867 635444280 /nfs/dbraw/zinc/44/42/80/635444280.db2.gz RHIWEWCVVGVQKU-LBPRGKRZSA-N 1 1 254.349 2.094 20 10 CECDMO Cc1cccc(C[N@H+]2C[C@H](O)C[C@H]2[C@H]2CCCOC2)c1O ZINC000824653946 635471211 /nfs/dbraw/zinc/47/12/11/635471211.db2.gz JSDVBNNLCRPBMJ-XHSDSOJGSA-N 1 1 291.391 2.062 20 10 CECDMO COc1cccc(C[N@@H+]2CC[C@H](OC)[C@H](C)C2)c1O ZINC000824814716 635503102 /nfs/dbraw/zinc/50/31/02/635503102.db2.gz DUNRWSBJLLUGNF-YPMHNXCESA-N 1 1 265.353 2.258 20 10 CECDMO Oc1cc2c(cc1C[N@H+]1CCC[C@@]3(CCOC3)C1)OCO2 ZINC000825134039 635575967 /nfs/dbraw/zinc/57/59/67/635575967.db2.gz SYAOGJGBUXVXPE-MRXNPFEDSA-N 1 1 291.347 2.123 20 10 CECDMO [NH3+]CC[C@@H]1CC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000904405118 635612187 /nfs/dbraw/zinc/61/21/87/635612187.db2.gz DLNNLZDHFOCRPL-SNVBAGLBSA-N 1 1 299.212 2.325 20 10 CECDMO CC1(C)C[NH2+]C[C@H]1NCc1cc(Cl)cc(F)c1O ZINC000904464245 635636975 /nfs/dbraw/zinc/63/69/75/635636975.db2.gz XRWWWQNXYADOCR-LLVKDONJSA-N 1 1 272.751 2.272 20 10 CECDMO COCCC[N@@H+](CCO)Cc1cc(Cl)c(C)cc1O ZINC000825628994 635681200 /nfs/dbraw/zinc/68/12/00/635681200.db2.gz OVQKYMAADMISPB-UHFFFAOYSA-N 1 1 287.787 2.185 20 10 CECDMO Cc1cc(O)c(C[N@H+](CCO)[C@@H]2CCO[C@@H]2C)cc1Cl ZINC000826096980 635760933 /nfs/dbraw/zinc/76/09/33/635760933.db2.gz KRSAEOYARMCVQM-BXUZGUMPSA-N 1 1 299.798 2.326 20 10 CECDMO COc1cccc(O)c1C[N@H+]1CCO[C@](C)(C2CC2)C1 ZINC000826878327 635870042 /nfs/dbraw/zinc/87/00/42/635870042.db2.gz WYTHGTHTNOLESP-INIZCTEOSA-N 1 1 277.364 2.402 20 10 CECDMO CO[C@]1(CO)CCC[N@@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000826952975 636170443 /nfs/dbraw/zinc/17/04/43/636170443.db2.gz YFSDSDKQQZYGAH-OAHLLOKOSA-N 1 1 299.798 2.327 20 10 CECDMO O=C1OCCN1[C@H]1CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000827001409 636185610 /nfs/dbraw/zinc/18/56/10/636185610.db2.gz VUFFEXUJTFCRMZ-JTQLQIEISA-N 1 1 296.754 2.072 20 10 CECDMO Cc1cc(O)c(C[N@@H+](C)C[C@H]2COCCO2)cc1Cl ZINC000827139806 636233496 /nfs/dbraw/zinc/23/34/96/636233496.db2.gz FMDPJSWQOQLBDN-LBPRGKRZSA-N 1 1 285.771 2.201 20 10 CECDMO CCOc1cccc(C[N@H+]2C[C@H]3COC[C@]3(C)C2)c1O ZINC000827282797 636280048 /nfs/dbraw/zinc/28/00/48/636280048.db2.gz NICJETHUWHXDEM-BBRMVZONSA-N 1 1 277.364 2.259 20 10 CECDMO CCOc1cccc(C[N@H+]2C[C@@H]3COC[C@@]3(C)C2)c1O ZINC000827282801 636280101 /nfs/dbraw/zinc/28/01/01/636280101.db2.gz NICJETHUWHXDEM-CZUORRHYSA-N 1 1 277.364 2.259 20 10 CECDMO CCOc1ccc(O)c(C[N@H+]2C[C@H](C)[C@@](C)(CO)C2)c1 ZINC000827699837 636398203 /nfs/dbraw/zinc/39/82/03/636398203.db2.gz MTPGZEOVMKMTFV-BLLLJJGKSA-N 1 1 279.380 2.241 20 10 CECDMO CN(C)c1ccc(CNC2CC([NH3+])C2)c(C(F)(F)F)c1 ZINC000906510852 636762246 /nfs/dbraw/zinc/76/22/46/636762246.db2.gz MVIIKWFNGFCYSG-UHFFFAOYSA-N 1 1 287.329 2.351 20 10 CECDMO COC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(C)cc1O ZINC000876554277 650322869 /nfs/dbraw/zinc/32/28/69/650322869.db2.gz IMNINAMSUOXSDU-ZDUSSCGKSA-N 1 1 263.337 2.228 20 10 CECDMO COC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(C)cc1O ZINC000876554277 650322873 /nfs/dbraw/zinc/32/28/73/650322873.db2.gz IMNINAMSUOXSDU-ZDUSSCGKSA-N 1 1 263.337 2.228 20 10 CECDMO CCC[N@H+](CC(=O)OCC)Cc1c(C)cccc1O ZINC000876630769 650367656 /nfs/dbraw/zinc/36/76/56/650367656.db2.gz KGYSFGUGRQSKDJ-UHFFFAOYSA-N 1 1 265.353 2.476 20 10 CECDMO CCC[N@@H+](CC(=O)OCC)Cc1c(C)cccc1O ZINC000876630769 650367658 /nfs/dbraw/zinc/36/76/58/650367658.db2.gz KGYSFGUGRQSKDJ-UHFFFAOYSA-N 1 1 265.353 2.476 20 10 CECDMO C[C@@H]([NH2+]C[C@@H]1CCCCN1CCO)c1ccc(F)cc1O ZINC000834849347 637969877 /nfs/dbraw/zinc/96/98/77/637969877.db2.gz BBCHMWGWVLHONS-OCCSQVGLSA-N 1 1 296.386 2.029 20 10 CECDMO CO[C@H]1CC[N@@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835028506 638031000 /nfs/dbraw/zinc/03/10/00/638031000.db2.gz KVDDAKLRBVPNML-APHBUQMISA-N 1 1 260.381 2.487 20 10 CECDMO CN(C)c1ccc(/C=C\CNCC[NH+]2CCCC2)cc1 ZINC000835043044 638034779 /nfs/dbraw/zinc/03/47/79/638034779.db2.gz OKLHIKIEDMIYRS-WAYWQWQTSA-N 1 1 273.424 2.451 20 10 CECDMO CN(C)c1ccc(/C=C\C[N@@H+](C)CCCCO)cc1 ZINC000835049494 638038787 /nfs/dbraw/zinc/03/87/87/638038787.db2.gz GKHOCWVJUGSHGA-SREVYHEPSA-N 1 1 262.397 2.470 20 10 CECDMO C[C@@H]1C[C@H](O)C[N@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC000835050629 638039500 /nfs/dbraw/zinc/03/95/00/638039500.db2.gz QQEULYGWFKFGEF-DUIDPNDXSA-N 1 1 260.381 2.221 20 10 CECDMO C[C@@H]1C[C@H](O)C[N@@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835054036 638041196 /nfs/dbraw/zinc/04/11/96/638041196.db2.gz GVSMSNYHIYLSNI-DSLFPGPSSA-N 1 1 274.408 2.469 20 10 CECDMO Cc1cccc(O)c1C[N@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000876715136 650408469 /nfs/dbraw/zinc/40/84/69/650408469.db2.gz JLEHGVVYQUZWNV-CQSZACIVSA-N 1 1 288.391 2.287 20 10 CECDMO Cc1ccc(C[N@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)c(O)c1 ZINC000876806930 650440648 /nfs/dbraw/zinc/44/06/48/650440648.db2.gz WHDYAVMKKBNUQC-JKSUJKDBSA-N 1 1 277.364 2.080 20 10 CECDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCCC[C@@H]1CC(N)=O ZINC000840911906 639582634 /nfs/dbraw/zinc/58/26/34/639582634.db2.gz CKGSCMMNRFWTFA-MRXNPFEDSA-N 1 1 289.423 2.291 20 10 CECDMO Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@H](CN(C)C)C1 ZINC000840915581 639584352 /nfs/dbraw/zinc/58/43/52/639584352.db2.gz RETFAQDWXMBZCV-OAHLLOKOSA-N 1 1 275.440 2.445 20 10 CECDMO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H](CN(C)C)C1 ZINC000840915581 639584359 /nfs/dbraw/zinc/58/43/59/639584359.db2.gz RETFAQDWXMBZCV-OAHLLOKOSA-N 1 1 275.440 2.445 20 10 CECDMO Cc1cc(N(C)C)ccc1CN1CC[C@H](C[NH+](C)C)C1 ZINC000840915581 639584363 /nfs/dbraw/zinc/58/43/63/639584363.db2.gz RETFAQDWXMBZCV-OAHLLOKOSA-N 1 1 275.440 2.445 20 10 CECDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCNC(=O)[C@@H]1C(C)C ZINC000840915017 639584424 /nfs/dbraw/zinc/58/44/24/639584424.db2.gz ZADCHUBGMXVOEH-INIZCTEOSA-N 1 1 289.423 2.017 20 10 CECDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCSC[C@H]1CCO ZINC000840919836 639585347 /nfs/dbraw/zinc/58/53/47/639585347.db2.gz POBXYGJWLKMEEL-MRXNPFEDSA-N 1 1 294.464 2.361 20 10 CECDMO Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000840938202 639592838 /nfs/dbraw/zinc/59/28/38/639592838.db2.gz LTLUDTHOGDUNBF-BBRMVZONSA-N 1 1 262.397 2.264 20 10 CECDMO CCN1CCC[N@@H+](Cc2ccc(N(C)C)cc2C)CC1=O ZINC000840942334 639594939 /nfs/dbraw/zinc/59/49/39/639594939.db2.gz ZMDMFWIDASAYLT-UHFFFAOYSA-N 1 1 289.423 2.115 20 10 CECDMO Cc1ncc(C[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)s1 ZINC000841042495 639629667 /nfs/dbraw/zinc/62/96/67/639629667.db2.gz KVELKTKLGQVXLY-HNNXBMFYSA-N 1 1 290.436 2.307 20 10 CECDMO COc1cccc(CNCC2([NH3+])CCCCC2)c1O ZINC000841039249 639629826 /nfs/dbraw/zinc/62/98/26/639629826.db2.gz GZYYKVXPHGRFIN-UHFFFAOYSA-N 1 1 264.369 2.152 20 10 CECDMO COc1cc(Cl)cc(C[NH2+][C@H]2CNCC[C@H]2C)c1O ZINC000841059174 639636813 /nfs/dbraw/zinc/63/68/13/639636813.db2.gz LZRFHCVFRABZOR-SKDRFNHKSA-N 1 1 284.787 2.142 20 10 CECDMO C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])CC[NH2+]1 ZINC000841061851 639638552 /nfs/dbraw/zinc/63/85/52/639638552.db2.gz OARFNGNAQRTRJH-BXKDBHETSA-N 1 1 254.761 2.276 20 10 CECDMO F[C@@H]1C[NH2+][C@H](CNCc2ccc(N3CCCCC3)cc2)C1 ZINC000841079650 639648388 /nfs/dbraw/zinc/64/83/88/639648388.db2.gz NZKSBJZQTYGKOF-HOTGVXAUSA-N 1 1 291.414 2.467 20 10 CECDMO [O-]c1cccc(Cl)c1C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000841081162 639649503 /nfs/dbraw/zinc/64/95/03/639649503.db2.gz XDXDTXKSJNYKEI-CYBMUJFWSA-N 1 1 266.772 2.277 20 10 CECDMO C[C@H]([NH2+][C@H]1C[C@@H](O)C1(C)C)c1ccc(F)cc1O ZINC000228848290 639662424 /nfs/dbraw/zinc/66/24/24/639662424.db2.gz FZTFEFUXECSAGL-AQUOVQTQSA-N 1 1 253.317 2.341 20 10 CECDMO COc1cc(Cl)cc(C[N@H+](C)CC(C)(C)C[NH3+])c1[O-] ZINC000229104385 639676767 /nfs/dbraw/zinc/67/67/67/639676767.db2.gz MDAJUURFWBPAJF-UHFFFAOYSA-N 1 1 286.803 2.471 20 10 CECDMO COc1cc(Cl)cc(C[N@@H+](C)CC(C)(C)C[NH3+])c1[O-] ZINC000229104385 639676769 /nfs/dbraw/zinc/67/67/69/639676769.db2.gz MDAJUURFWBPAJF-UHFFFAOYSA-N 1 1 286.803 2.471 20 10 CECDMO Cc1[nH+]ccn1CCCC(=O)N(C)c1ccc(N)cc1 ZINC000877077798 650561929 /nfs/dbraw/zinc/56/19/29/650561929.db2.gz UTTMYXCDBURWPD-UHFFFAOYSA-N 1 1 272.352 2.217 20 10 CECDMO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H](C)[C@@H]2CN)c1 ZINC000843051751 640254789 /nfs/dbraw/zinc/25/47/89/640254789.db2.gz LJUHNVOYJRBRIY-DOMZBBRYSA-N 1 1 278.396 2.350 20 10 CECDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@@H](C)[C@@H]2CN)c1 ZINC000843051751 640254790 /nfs/dbraw/zinc/25/47/90/640254790.db2.gz LJUHNVOYJRBRIY-DOMZBBRYSA-N 1 1 278.396 2.350 20 10 CECDMO C[C@@H]1[NH2+]CCN(Cc2cc(Cl)cc(F)c2O)[C@H]1C ZINC000843056846 640258858 /nfs/dbraw/zinc/25/88/58/640258858.db2.gz AUHINIGQPNBLSY-IUCAKERBSA-N 1 1 272.751 2.367 20 10 CECDMO C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000843056878 640260180 /nfs/dbraw/zinc/26/01/80/640260180.db2.gz BIJRZTCMVKMMQT-BDAKNGLRSA-N 1 1 272.751 2.354 20 10 CECDMO COc1cc(O)c(CN2CCCC[C@H]2CC[NH3+])cc1OC ZINC000843123512 640290587 /nfs/dbraw/zinc/29/05/87/640290587.db2.gz LCPRLXVBDZRNOU-ZDUSSCGKSA-N 1 1 294.395 2.113 20 10 CECDMO Cc1cc(N(C)C)ccc1C[N@@H+]1CCNC[C@@](C)(F)C1 ZINC000843125262 640292301 /nfs/dbraw/zinc/29/23/01/640292301.db2.gz QCDUTWJWKMUBHM-MRXNPFEDSA-N 1 1 279.403 2.194 20 10 CECDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCNC[C@@](C)(F)C1 ZINC000843125262 640292304 /nfs/dbraw/zinc/29/23/04/640292304.db2.gz QCDUTWJWKMUBHM-MRXNPFEDSA-N 1 1 279.403 2.194 20 10 CECDMO COc1ccc(O)c(C[N@H+]2CCOC[C@@H]2C2CCC2)c1 ZINC000843427960 640427062 /nfs/dbraw/zinc/42/70/62/640427062.db2.gz DSYJJFPNRFWJCG-OAHLLOKOSA-N 1 1 277.364 2.402 20 10 CECDMO CC[C@H](C(=O)OC)[N@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844399458 640708145 /nfs/dbraw/zinc/70/81/45/640708145.db2.gz KDPCRJLBUAINLQ-OAHLLOKOSA-N 1 1 294.395 2.015 20 10 CECDMO CC[C@H](C(=O)OC)[N@@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844399458 640708148 /nfs/dbraw/zinc/70/81/48/640708148.db2.gz KDPCRJLBUAINLQ-OAHLLOKOSA-N 1 1 294.395 2.015 20 10 CECDMO CC(C)C[N@H+](C)CCCNCc1cc2c(cc1O)OCO2 ZINC000845996753 641146689 /nfs/dbraw/zinc/14/66/89/641146689.db2.gz RGNWJVMNSIZIJY-UHFFFAOYSA-N 1 1 294.395 2.188 20 10 CECDMO CC(C)C[N@@H+](C)CCCNCc1cc2c(cc1O)OCO2 ZINC000845996753 641146696 /nfs/dbraw/zinc/14/66/96/641146696.db2.gz RGNWJVMNSIZIJY-UHFFFAOYSA-N 1 1 294.395 2.188 20 10 CECDMO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)C2(CCC2)CO1 ZINC000846067854 641171545 /nfs/dbraw/zinc/17/15/45/641171545.db2.gz ZCNHMWKIFDBCLT-LLVKDONJSA-N 1 1 291.347 2.264 20 10 CECDMO C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)C2(CCC2)CO1 ZINC000846067854 641171548 /nfs/dbraw/zinc/17/15/48/641171548.db2.gz ZCNHMWKIFDBCLT-LLVKDONJSA-N 1 1 291.347 2.264 20 10 CECDMO C[NH+](C)C(C)(C)CNCc1ccc2c(c1)CCCO2 ZINC000921475685 641290467 /nfs/dbraw/zinc/29/04/67/641290467.db2.gz GCBPKKGXKQUNEP-UHFFFAOYSA-N 1 1 262.397 2.441 20 10 CECDMO CCN(CC)c1ccc(CNC(=O)CC(F)(F)C[NH3+])cc1 ZINC000846673365 641385466 /nfs/dbraw/zinc/38/54/66/641385466.db2.gz RRTYGVWRAQOKHC-UHFFFAOYSA-N 1 1 299.365 2.133 20 10 CECDMO NC(=O)C[N@H+](Cc1ccccc1)Cc1cc(F)ccc1O ZINC000180141954 641422475 /nfs/dbraw/zinc/42/24/75/641422475.db2.gz VKLLBPACFLXHGO-UHFFFAOYSA-N 1 1 288.322 2.019 20 10 CECDMO NC(=O)C[N@@H+](Cc1ccccc1)Cc1cc(F)ccc1O ZINC000180141954 641422479 /nfs/dbraw/zinc/42/24/79/641422479.db2.gz VKLLBPACFLXHGO-UHFFFAOYSA-N 1 1 288.322 2.019 20 10 CECDMO C[C@H]([NH2+]CCc1ccnn1C)c1ccc(F)cc1O ZINC000184009310 641827464 /nfs/dbraw/zinc/82/74/64/641827464.db2.gz RPWYBVPFHIQPGS-JTQLQIEISA-N 1 1 263.316 2.158 20 10 CECDMO O=C(N[C@H]1CCC[N@H+]2CCCC[C@@H]12)C1=CC(=O)CS1 ZINC000848392139 641975279 /nfs/dbraw/zinc/97/52/79/641975279.db2.gz VIJOFVITTRAPGC-RYUDHWBXSA-N 1 1 280.393 2.200 20 10 CECDMO C[C@@H]([NH2+]C[C@@H]1CN(C2CC2)C(=O)O1)c1ccc(F)cc1O ZINC000848569127 642058556 /nfs/dbraw/zinc/05/85/56/642058556.db2.gz CDTHTLSARJDQON-BXKDBHETSA-N 1 1 294.326 2.165 20 10 CECDMO C[NH+]1CCN(c2ccc(CNCc3ccccn3)cc2)CC1 ZINC000107797401 642103246 /nfs/dbraw/zinc/10/32/46/642103246.db2.gz WKVFYDPSSXULRK-UHFFFAOYSA-N 1 1 296.418 2.123 20 10 CECDMO COc1cc(O)c(C[N@H+]2C[C@H](C)[C@@H]2C)cc1OC ZINC000816648689 642162029 /nfs/dbraw/zinc/16/20/29/642162029.db2.gz NOZVOTPBVISFNM-UWVGGRQHSA-N 1 1 251.326 2.250 20 10 CECDMO CCOC(=O)C[N@H+](CC)Cc1cccc(CC)c1O ZINC000848882940 642168966 /nfs/dbraw/zinc/16/89/66/642168966.db2.gz DRNGHYWXVBQVPT-UHFFFAOYSA-N 1 1 265.353 2.340 20 10 CECDMO CCOC(=O)C[N@@H+](CC)Cc1cccc(CC)c1O ZINC000848882940 642168969 /nfs/dbraw/zinc/16/89/69/642168969.db2.gz DRNGHYWXVBQVPT-UHFFFAOYSA-N 1 1 265.353 2.340 20 10 CECDMO CCc1cccc(C[N@H+](C)[C@@H](C)CS(=O)(=O)CC)c1O ZINC000848885890 642170773 /nfs/dbraw/zinc/17/07/73/642170773.db2.gz BYWLCTVAORGNOC-LBPRGKRZSA-N 1 1 299.436 2.210 20 10 CECDMO CCc1cccc(C[N@@H+](C)[C@@H](C)CS(=O)(=O)CC)c1O ZINC000848885890 642170774 /nfs/dbraw/zinc/17/07/74/642170774.db2.gz BYWLCTVAORGNOC-LBPRGKRZSA-N 1 1 299.436 2.210 20 10 CECDMO CCc1cccc(C[N@H+](CC)Cc2cn(C)nn2)c1O ZINC000848901755 642179926 /nfs/dbraw/zinc/17/99/26/642179926.db2.gz BODDJGOWXQDVBK-UHFFFAOYSA-N 1 1 274.368 2.105 20 10 CECDMO CCc1cccc(C[N@@H+](CC)Cc2cn(C)nn2)c1O ZINC000848901755 642179932 /nfs/dbraw/zinc/17/99/32/642179932.db2.gz BODDJGOWXQDVBK-UHFFFAOYSA-N 1 1 274.368 2.105 20 10 CECDMO CCc1cccc(C[NH+]2C[C@H](C)S(=O)[C@@H](C)C2)c1O ZINC000848905468 642182565 /nfs/dbraw/zinc/18/25/65/642182565.db2.gz IBKUNVIVORYZJV-RYUDHWBXSA-N 1 1 281.421 2.296 20 10 CECDMO CCc1cccc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)c1O ZINC000848905805 642183234 /nfs/dbraw/zinc/18/32/34/642183234.db2.gz OKRVOMPNYNQXHA-QEJZJMRPSA-N 1 1 288.391 2.040 20 10 CECDMO CCc1cccc(C[N@@H+](CCOC)[C@H]2CCOC2)c1O ZINC000848906941 642183984 /nfs/dbraw/zinc/18/39/84/642183984.db2.gz FLJMYJJLZWJKKY-HNNXBMFYSA-N 1 1 279.380 2.192 20 10 CECDMO C[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1nnc2n1CCC2 ZINC000921521331 642187978 /nfs/dbraw/zinc/18/79/78/642187978.db2.gz XMNWYBWWSXDDEH-LBPRGKRZSA-N 1 1 298.390 2.400 20 10 CECDMO C[C@@H](O)C[N@@H+](Cc1cc(Cl)ccc1O)C1CC1 ZINC000848928836 642198806 /nfs/dbraw/zinc/19/88/06/642198806.db2.gz PBTCRSWFHGNEEV-SECBINFHSA-N 1 1 255.745 2.391 20 10 CECDMO Cc1ccc(C[NH2+]Cc2ncnn2C(C)(C)C)c(O)c1 ZINC000877501420 650753759 /nfs/dbraw/zinc/75/37/59/650753759.db2.gz OYKSDFSUOCPIJK-UHFFFAOYSA-N 1 1 274.368 2.337 20 10 CECDMO Cc1cccc(O)c1C[NH2+]Cc1nn(C)cc1Cl ZINC000877564807 650791349 /nfs/dbraw/zinc/79/13/49/650791349.db2.gz LSZJRSWMMKLDEP-UHFFFAOYSA-N 1 1 265.744 2.377 20 10 CECDMO Cc1ccc(C[N@H+]2CCCC[C@@H]2CS(C)(=O)=O)c(O)c1 ZINC000877568640 650793281 /nfs/dbraw/zinc/79/32/81/650793281.db2.gz TVQFBVOIMJBHBP-CQSZACIVSA-N 1 1 297.420 2.100 20 10 CECDMO Cc1cccc(O)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000877570434 650794284 /nfs/dbraw/zinc/79/42/84/650794284.db2.gz NBRGFRIAQIUODM-AGUYFDCRSA-N 1 1 260.381 2.415 20 10 CECDMO Cc1cccc(O)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000877570434 650794285 /nfs/dbraw/zinc/79/42/85/650794285.db2.gz NBRGFRIAQIUODM-AGUYFDCRSA-N 1 1 260.381 2.415 20 10 CECDMO Cc1ccc(C[N@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)c(O)c1 ZINC000877572351 650795176 /nfs/dbraw/zinc/79/51/76/650795176.db2.gz POSWPTJTBBYQKD-WCQYABFASA-N 1 1 289.297 2.446 20 10 CECDMO C[N@H+](CC(=O)Nc1ccccc1)Cc1ccccc1O ZINC000109771932 642925209 /nfs/dbraw/zinc/92/52/09/642925209.db2.gz GRGFBYJROMZEOA-UHFFFAOYSA-N 1 1 270.332 2.463 20 10 CECDMO C[N@@H+](CC(=O)Nc1ccccc1)Cc1ccccc1O ZINC000109771932 642925214 /nfs/dbraw/zinc/92/52/14/642925214.db2.gz GRGFBYJROMZEOA-UHFFFAOYSA-N 1 1 270.332 2.463 20 10 CECDMO C[N@@H+](Cc1cc(=O)n2ccccc2n1)Cc1ccccc1O ZINC000109772867 642926183 /nfs/dbraw/zinc/92/61/83/642926183.db2.gz ZYSLATKOFWTDIO-UHFFFAOYSA-N 1 1 295.342 2.032 20 10 CECDMO C[C@@H]([NH2+]CC1(CO)CCC1)c1ccc(F)cc1O ZINC000186547002 643144290 /nfs/dbraw/zinc/14/42/90/643144290.db2.gz WNZNJVMHASNRGU-SNVBAGLBSA-N 1 1 253.317 2.345 20 10 CECDMO Cc1cc(CC[NH2+]Cc2cc(F)cc(F)c2O)nn1C ZINC000922687039 643203124 /nfs/dbraw/zinc/20/31/24/643203124.db2.gz MFSAXTJNGIYCHT-UHFFFAOYSA-N 1 1 281.306 2.045 20 10 CECDMO Cc1cccc(O)c1C[N@H+]1CCC[C@](O)(C2CC2)C1 ZINC000877629338 650822532 /nfs/dbraw/zinc/82/25/32/650822532.db2.gz TXMSDVDUXIKXGN-MRXNPFEDSA-N 1 1 261.365 2.438 20 10 CECDMO Cc1ccc(C[N@H+]2CCC[C@@](O)(C3CC3)C2)c(O)c1 ZINC000877629576 650822635 /nfs/dbraw/zinc/82/26/35/650822635.db2.gz VYYSQCRUTAZZFE-INIZCTEOSA-N 1 1 261.365 2.438 20 10 CECDMO Cc1cccc(O)c1C[N@H+]1CCO[C@H](CCF)C1 ZINC000877657035 650837264 /nfs/dbraw/zinc/83/72/64/650837264.db2.gz FUVNZCCTSXUOFJ-GFCCVEGCSA-N 1 1 253.317 2.261 20 10 CECDMO CN(C)c1ccc(C[N@H+]2CCC[C@@](O)(C3CC3)C2)cc1 ZINC000852502082 643447174 /nfs/dbraw/zinc/44/71/74/643447174.db2.gz ZJHRRNMIPRLEST-KRWDZBQOSA-N 1 1 274.408 2.490 20 10 CECDMO Oc1cc(F)c(Cl)cc1C[NH2+]CC[C@@H](O)C(F)F ZINC000877677164 650845601 /nfs/dbraw/zinc/84/56/01/650845601.db2.gz NNFFAJHDJHXZQT-SECBINFHSA-N 1 1 283.677 2.290 20 10 CECDMO CC[C@@]1(O)CCC[N@@H+](Cc2cccc(OC)c2O)C1 ZINC000877691698 650853135 /nfs/dbraw/zinc/85/31/35/650853135.db2.gz SRBSERKBYNHHTO-OAHLLOKOSA-N 1 1 265.353 2.138 20 10 CECDMO Cc1cc(CN2CC[C@H]([NH3+])C[C@H]2C)ccc1N(C)C ZINC000923392225 643691433 /nfs/dbraw/zinc/69/14/33/643691433.db2.gz ITRCPSYPQKBMEU-HIFRSBDPSA-N 1 1 261.413 2.373 20 10 CECDMO Cn1nnc2cc(C[N@H+]3Cc4cccc(O)c4C3)ccc21 ZINC000877703143 650859192 /nfs/dbraw/zinc/85/91/92/650859192.db2.gz SZZCMERJRCQJOA-UHFFFAOYSA-N 1 1 280.331 2.190 20 10 CECDMO C[N@H+]1CC[C@H]2CN(Cc3cc(F)ccc3O)CC[C@@H]21 ZINC000877740973 650883837 /nfs/dbraw/zinc/88/38/37/650883837.db2.gz LQCKYKDOHHGJFE-FZMZJTMJSA-N 1 1 264.344 2.057 20 10 CECDMO COc1ccc(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(O)c1 ZINC000112017209 644014978 /nfs/dbraw/zinc/01/49/78/644014978.db2.gz KPODXWJHSJXVKY-UONOGXRCSA-N 1 1 276.380 2.117 20 10 CECDMO COc1ccc(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)c(O)c1 ZINC000112017209 644014982 /nfs/dbraw/zinc/01/49/82/644014982.db2.gz KPODXWJHSJXVKY-UONOGXRCSA-N 1 1 276.380 2.117 20 10 CECDMO COc1ccc(O)c(CN2CC[N@@H+](C)[C@@H](C(C)C)C2)c1 ZINC000877751243 650893245 /nfs/dbraw/zinc/89/32/45/650893245.db2.gz ZPIXILFBCRGALP-OAHLLOKOSA-N 1 1 278.396 2.173 20 10 CECDMO COc1ccc(O)c(C[N@@H+]2CCN(C)[C@@H](C(C)C)C2)c1 ZINC000877751243 650893249 /nfs/dbraw/zinc/89/32/49/650893249.db2.gz ZPIXILFBCRGALP-OAHLLOKOSA-N 1 1 278.396 2.173 20 10 CECDMO COc1ccc(O)c(C[N@H+]2CCN(C)[C@@H](C(C)C)C2)c1 ZINC000877751243 650893254 /nfs/dbraw/zinc/89/32/54/650893254.db2.gz ZPIXILFBCRGALP-OAHLLOKOSA-N 1 1 278.396 2.173 20 10 CECDMO COc1cc(O)c(C[N@H+]2C[C@H](O)CC(C)(C)C2)cc1OC ZINC000877752156 650895981 /nfs/dbraw/zinc/89/59/81/650895981.db2.gz NWQZHSDYXKDSJB-GFCCVEGCSA-N 1 1 295.379 2.002 20 10 CECDMO COCc1cc(C[NH2+][C@@H](C)c2ccccc2O)no1 ZINC000877758015 650900120 /nfs/dbraw/zinc/90/01/20/650900120.db2.gz DAGWLSQCYUMMCB-JTQLQIEISA-N 1 1 262.309 2.377 20 10 CECDMO CCOc1ccc(O)c(C[N@H+]2CC[C@H](C)[C@@H](CO)C2)c1 ZINC000857061140 644806252 /nfs/dbraw/zinc/80/62/52/644806252.db2.gz KPPBDYZPACLYJW-GXTWGEPZSA-N 1 1 279.380 2.241 20 10 CECDMO CN(C)c1cc(F)c(CNC[C@H]2CCC[N@@H+](C)C2)cc1F ZINC000858132193 645070573 /nfs/dbraw/zinc/07/05/73/645070573.db2.gz VZURBURXGJJFMY-GFCCVEGCSA-N 1 1 297.393 2.462 20 10 CECDMO CCNC(=O)C(C)(C)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858175218 645080091 /nfs/dbraw/zinc/08/00/91/645080091.db2.gz JKLHNEIFIRHLGS-UHFFFAOYSA-N 1 1 299.365 2.035 20 10 CECDMO C[C@@H]([NH2+]CCC1(C)OCCO1)c1cc(F)cc(F)c1O ZINC000760890821 645207637 /nfs/dbraw/zinc/20/76/37/645207637.db2.gz BYMKIGNSMMKHPH-SECBINFHSA-N 1 1 287.306 2.474 20 10 CECDMO CCOc1ccc(C[N@@H+](C)CC2(O)CCC2)c(O)c1 ZINC000761220833 645258912 /nfs/dbraw/zinc/25/89/12/645258912.db2.gz YUZFTFKWIQXJOF-UHFFFAOYSA-N 1 1 265.353 2.138 20 10 CECDMO CN(C)c1ccc(C[N@@H+](CCc2cn(C)nn2)C2CC2)cc1 ZINC000859082134 645354086 /nfs/dbraw/zinc/35/40/86/645354086.db2.gz OODOSFKFJQIHQW-UHFFFAOYSA-N 1 1 299.422 2.088 20 10 CECDMO Cc1cccc(C[N@@H+]2CC[C@@H](C)[S@](=O)CC2)c1O ZINC000763491061 645550923 /nfs/dbraw/zinc/55/09/23/645550923.db2.gz MKLUAOLWNWGYEE-KZULUSFZSA-N 1 1 267.394 2.044 20 10 CECDMO C[C@@H](CO)C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000766920975 645937333 /nfs/dbraw/zinc/93/73/33/645937333.db2.gz WUICVIPUOWCRAS-UKRRQHHQSA-N 1 1 279.380 2.002 20 10 CECDMO CCOc1ccc(C[N@H+]2CCC[C@@H](C(=O)OC)C2)c(O)c1 ZINC000768231546 646099069 /nfs/dbraw/zinc/09/90/69/646099069.db2.gz VWCGEQNMOBYWFS-CYBMUJFWSA-N 1 1 293.363 2.176 20 10 CECDMO COc1cc(C[N@@H+]2CCC[C@H](N(C)C)C2)c(O)cc1C ZINC000768446386 646124296 /nfs/dbraw/zinc/12/42/96/646124296.db2.gz NOFGUVBOHGNCJR-AWEZNQCLSA-N 1 1 278.396 2.235 20 10 CECDMO COc1cc(C[N@H+]2CCC[C@H](N(C)C)C2)c(O)cc1C ZINC000768446386 646124301 /nfs/dbraw/zinc/12/43/01/646124301.db2.gz NOFGUVBOHGNCJR-AWEZNQCLSA-N 1 1 278.396 2.235 20 10 CECDMO COC(=O)[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000768462033 646126787 /nfs/dbraw/zinc/12/67/87/646126787.db2.gz ZXHOXVUSMSETRH-VIFPVBQESA-N 1 1 269.728 2.041 20 10 CECDMO COc1cc(O)c(C[N@H+]2CCCOC[C@@H]2C)cc1OC ZINC000768462939 646127052 /nfs/dbraw/zinc/12/70/52/646127052.db2.gz OZXQJNNKIPHMGF-NSHDSACASA-N 1 1 281.352 2.020 20 10 CECDMO CC[C@@H]1C[C@H](C)C[N@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000768464966 646127739 /nfs/dbraw/zinc/12/77/39/646127739.db2.gz CYFPAXZRQTYXBI-JVLSTEMRSA-N 1 1 277.364 2.438 20 10 CECDMO CC[C@H]1C[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)CCS1 ZINC000768465620 646128401 /nfs/dbraw/zinc/12/84/01/646128401.db2.gz JCRAVYHGFYBPGT-SMDDNHRTSA-N 1 1 295.404 2.145 20 10 CECDMO CO[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000768464450 646128620 /nfs/dbraw/zinc/12/86/20/646128620.db2.gz RUQOQPCOMIQUBH-OAHLLOKOSA-N 1 1 261.365 2.492 20 10 CECDMO CCOCC[N@@H+](CC)Cc1c(O)cccc1OC ZINC000769138906 646214008 /nfs/dbraw/zinc/21/40/08/646214008.db2.gz CMVZEKQDZVFSSI-UHFFFAOYSA-N 1 1 253.342 2.259 20 10 CECDMO COc1cccc(O)c1C[N@H+]1CCCO[C@@H](C)C1 ZINC000769318099 646243931 /nfs/dbraw/zinc/24/39/31/646243931.db2.gz INRCQAYWEVZYMC-NSHDSACASA-N 1 1 251.326 2.012 20 10 CECDMO CCOc1cccc(C[N@H+]2CCSC[C@@H]2CCO)c1O ZINC000770305714 646377953 /nfs/dbraw/zinc/37/79/53/646377953.db2.gz JIYZEODFKBBEHM-ZDUSSCGKSA-N 1 1 297.420 2.091 20 10 CECDMO C[C@H]1CC[N@@H+](Cc2cc(F)c(N(C)C)cc2F)C[C@H]1CO ZINC000862425495 646455926 /nfs/dbraw/zinc/45/59/26/646455926.db2.gz YEBQUKAOYPJWKF-AAEUAGOBSA-N 1 1 298.377 2.481 20 10 CECDMO C[C@H]1CC[N@@H+](Cc2cc(F)c(N(C)C)cc2F)C[C@@H]1CO ZINC000862425497 646456713 /nfs/dbraw/zinc/45/67/13/646456713.db2.gz YEBQUKAOYPJWKF-WCQYABFASA-N 1 1 298.377 2.481 20 10 CECDMO CCN(CC)c1ccc(C[N@@H+](C)[C@@]2(CO)CCOC2)cc1 ZINC000862426802 646456745 /nfs/dbraw/zinc/45/67/45/646456745.db2.gz OZEHLOLRKYVASA-QGZVFWFLSA-N 1 1 292.423 2.116 20 10 CECDMO CCOc1cccc(C[N@@H+](C)CC2(C)COC2)c1O ZINC000862477601 646473353 /nfs/dbraw/zinc/47/33/53/646473353.db2.gz NZGJCENQHTYJPC-UHFFFAOYSA-N 1 1 265.353 2.259 20 10 CECDMO CCOc1ccc(O)c(C[N@H+]2CCO[C@@](C)(COC)C2)c1 ZINC000862552374 646496617 /nfs/dbraw/zinc/49/66/17/646496617.db2.gz XGHGPRKGRGYEJN-MRXNPFEDSA-N 1 1 295.379 2.028 20 10 CECDMO CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](CCO)C2CC2)c1O ZINC000771796245 646551608 /nfs/dbraw/zinc/55/16/08/646551608.db2.gz PQJZFKWDTIAMTO-AWEZNQCLSA-N 1 1 297.782 2.499 20 10 CECDMO CC[N@H+]1CCCC[C@H]1C(=O)NCc1cc(C)ccc1O ZINC000862758974 646558897 /nfs/dbraw/zinc/55/88/97/646558897.db2.gz RPZLKGNUUGORCR-AWEZNQCLSA-N 1 1 276.380 2.191 20 10 CECDMO CCO[C@@H]1CCC[N@@H+](Cc2c(O)cccc2OC)C1 ZINC000771935085 646572984 /nfs/dbraw/zinc/57/29/84/646572984.db2.gz KTWSIRJLSPGUBZ-GFCCVEGCSA-N 1 1 265.353 2.402 20 10 CECDMO CC[C@@H]1[NH2+]CC[C@H]1NCc1cc(Cl)cc(F)c1O ZINC000863481387 646739239 /nfs/dbraw/zinc/73/92/39/646739239.db2.gz GFIRVRTZAJZUDA-NWDGAFQWSA-N 1 1 272.751 2.415 20 10 CECDMO CCN(C)c1ccc(C[N@@H+](C)C[C@@H](C)C(=O)OC)cc1 ZINC000773728547 646770374 /nfs/dbraw/zinc/77/03/74/646770374.db2.gz DAUNONBCOULGRR-CYBMUJFWSA-N 1 1 278.396 2.384 20 10 CECDMO CCN(C)c1ccc(C[N@H+]2CC[C@H](C(=O)OC)C2)cc1 ZINC000773729340 646770511 /nfs/dbraw/zinc/77/05/11/646770511.db2.gz JJBLVBHRHIUPAW-AWEZNQCLSA-N 1 1 276.380 2.138 20 10 CECDMO C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C)c1ccc(N(C)C)cc1 ZINC000775402508 646950300 /nfs/dbraw/zinc/95/03/00/646950300.db2.gz DUDLSUAQDJCDGF-XJKSGUPXSA-N 1 1 289.423 2.414 20 10 CECDMO COC(=O)C(C)(C)[N@H+](C)Cc1cccc(C)c1O ZINC000775674636 646979350 /nfs/dbraw/zinc/97/93/50/646979350.db2.gz HBFABYZJUNNGGI-UHFFFAOYSA-N 1 1 251.326 2.084 20 10 CECDMO COC(=O)C(C)(C)[N@@H+](C)Cc1cccc(C)c1O ZINC000775674636 646979351 /nfs/dbraw/zinc/97/93/51/646979351.db2.gz HBFABYZJUNNGGI-UHFFFAOYSA-N 1 1 251.326 2.084 20 10 CECDMO CCOc1ccc(O)c(C[N@H+]2CCN(C)[C@H](C)[C@H]2C)c1 ZINC000775985713 647013186 /nfs/dbraw/zinc/01/31/86/647013186.db2.gz NEYIFYGBNAPILA-CHWSQXEVSA-N 1 1 278.396 2.315 20 10 CECDMO CCOc1ccc(O)c(CN2CC[N@H+](C)[C@H](C)[C@H]2C)c1 ZINC000775985713 647013188 /nfs/dbraw/zinc/01/31/88/647013188.db2.gz NEYIFYGBNAPILA-CHWSQXEVSA-N 1 1 278.396 2.315 20 10 CECDMO CCOc1ccc(O)c(CN2CC[N@@H+](C)[C@H](C)[C@H]2C)c1 ZINC000775985713 647013191 /nfs/dbraw/zinc/01/31/91/647013191.db2.gz NEYIFYGBNAPILA-CHWSQXEVSA-N 1 1 278.396 2.315 20 10 CECDMO COc1cccc(O)c1C[N@@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000779152976 647292678 /nfs/dbraw/zinc/29/26/78/647292678.db2.gz IQENZDYLVIXXGS-JSGCOSHPSA-N 1 1 279.380 2.384 20 10 CECDMO CCOc1cccc(C[N@H+]2CCC[C@H]2CCO)c1O ZINC000779203148 647298258 /nfs/dbraw/zinc/29/82/58/647298258.db2.gz ZSIJFNOIASWLRP-ZDUSSCGKSA-N 1 1 265.353 2.138 20 10 CECDMO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1O)[C@H](O)C(F)(F)F ZINC000866463180 647795230 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CECDMO CC(=O)[C@@H]1CC[N@@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001142531480 816682596 /nfs/dbraw/zinc/68/25/96/816682596.db2.gz YOQRBJXUTJZCSK-SECBINFHSA-N 1 1 255.264 2.081 20 10 CECDMO COC(=O)[C@@H]1CCC[N@@H+](Cc2cc(C)ccc2O)C1 ZINC000123253512 365635536 /nfs/dbraw/zinc/63/55/36/365635536.db2.gz FLSPEXHJZMOSSA-GFCCVEGCSA-N 1 1 263.337 2.086 20 10 CECDMO COc1ccc(N2CCC[N@@H+](Cc3ccno3)CC2)cc1 ZINC000077234922 343913190 /nfs/dbraw/zinc/91/31/90/343913190.db2.gz OLXMUQSJJCBDOC-UHFFFAOYSA-N 1 1 287.363 2.396 20 10 CECDMO CC(=O)c1cc(Cl)cc(C[N@H+](C)C[C@@H](C)O)c1O ZINC000051822183 362441097 /nfs/dbraw/zinc/44/10/97/362441097.db2.gz AXJYQAFYFWRKFQ-MRVPVSSYSA-N 1 1 271.744 2.061 20 10 CECDMO Cc1cccc(C[N@@H+]2CC[C@@H](Cc3cnn(C)c3)C2)c1O ZINC000362044176 344809298 /nfs/dbraw/zinc/80/92/98/344809298.db2.gz HGJHLSUCRQCOLY-AWEZNQCLSA-N 1 1 285.391 2.499 20 10 CECDMO COC[C@@H](C)[N@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000075643588 363480212 /nfs/dbraw/zinc/48/02/12/363480212.db2.gz OVSHETRLXUDSEI-CQSZACIVSA-N 1 1 278.396 2.242 20 10 CECDMO OC[C@H]1CCC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000154597425 366780292 /nfs/dbraw/zinc/78/02/92/366780292.db2.gz ADIQKCAZCFJNSG-JTQLQIEISA-N 1 1 255.745 2.250 20 10 CECDMO COc1cccc(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)c1O ZINC000093506641 364193563 /nfs/dbraw/zinc/19/35/63/364193563.db2.gz KORRKFBCILBXLX-OCCSQVGLSA-N 1 1 277.364 2.402 20 10 CECDMO CC(C)C[C@@H]1COCC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000113924298 364918018 /nfs/dbraw/zinc/91/80/18/364918018.db2.gz FIKMXSUPCWRFES-CYBMUJFWSA-N 1 1 293.363 2.368 20 10 CECDMO Oc1c(F)cccc1CN1CCC[N@H+]2CCC[C@@H]2C1 ZINC000160235743 366986214 /nfs/dbraw/zinc/98/62/14/366986214.db2.gz DVCAGIYYYGPJCU-CYBMUJFWSA-N 1 1 264.344 2.201 20 10 CECDMO COCCOC[C@@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000180215670 368373388 /nfs/dbraw/zinc/37/33/88/368373388.db2.gz XSYTYCWGCYJQKC-GFCCVEGCSA-N 1 1 283.343 2.016 20 10 CECDMO COCC1=CC[N@@H+](Cc2cc(F)ccc2O)CC1 ZINC000187616620 369188914 /nfs/dbraw/zinc/18/89/14/369188914.db2.gz NFLKMNKZFBFRQE-UHFFFAOYSA-N 1 1 251.301 2.310 20 10 CECDMO CC[N@H+](CCCN(C)C)Cc1cc(C)ccc1O ZINC000230744837 370466303 /nfs/dbraw/zinc/46/63/03/370466303.db2.gz SDPRDIOWWSPLOH-UHFFFAOYSA-N 1 1 250.386 2.474 20 10 CECDMO CC[N@@H+](CCCN(C)C)Cc1cc(C)ccc1O ZINC000230744837 370466306 /nfs/dbraw/zinc/46/63/06/370466306.db2.gz SDPRDIOWWSPLOH-UHFFFAOYSA-N 1 1 250.386 2.474 20 10 CECDMO CCCOc1ccc(C[N@@H+](CCO)C(C)C)c(O)c1 ZINC000271018858 373070537 /nfs/dbraw/zinc/07/05/37/373070537.db2.gz APJONFVKSSBGRY-UHFFFAOYSA-N 1 1 267.369 2.384 20 10 CECDMO COc1ccc(O)c([C@H](C)[N@H+]2CCOC[C@@H](C)C2)c1 ZINC000366774298 373122683 /nfs/dbraw/zinc/12/26/83/373122683.db2.gz QMBPUTAQYWHSLM-RYUDHWBXSA-N 1 1 265.353 2.430 20 10 CECDMO Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](CO)C2)c1O ZINC000271714469 373198185 /nfs/dbraw/zinc/19/81/85/373198185.db2.gz HUAGDXPADYLRPR-SNVBAGLBSA-N 1 1 255.745 2.168 20 10 CECDMO CCOCCOC1C[NH+](Cc2cc(C)c(C)cc2O)C1 ZINC000272369020 373452017 /nfs/dbraw/zinc/45/20/17/373452017.db2.gz BBUGZLRESQHOBH-UHFFFAOYSA-N 1 1 279.380 2.246 20 10 CECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCC[C@H]2O)c1 ZINC000273359367 373753068 /nfs/dbraw/zinc/75/30/68/373753068.db2.gz AEBBDKCEVHSEHU-PSOPSSQASA-N 1 1 293.363 2.133 20 10 CECDMO CCC(O)(CC)C[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000273594072 373767105 /nfs/dbraw/zinc/76/71/05/373767105.db2.gz PZJXCVQCRKRHJG-NSHDSACASA-N 1 1 295.379 2.381 20 10 CECDMO C[N@@H+](CCC[NH+]1CCCC1)Cc1cccc(F)c1[O-] ZINC000281324081 375370852 /nfs/dbraw/zinc/37/08/52/375370852.db2.gz RKJLGXFYCYQBCR-UHFFFAOYSA-N 1 1 266.360 2.449 20 10 CECDMO C[C@H]([NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)c1ccc(F)cc1O ZINC000284327061 375827843 /nfs/dbraw/zinc/82/78/43/375827843.db2.gz KKUGSJOWIMBTJX-NVBFEUDRSA-N 1 1 299.386 2.340 20 10 CECDMO CCCC[N@H+](C)C[C@H](C)NCc1cc2c(cc1O)OCO2 ZINC000288708003 376381950 /nfs/dbraw/zinc/38/19/50/376381950.db2.gz ZCAQLNPFXUZLJV-LBPRGKRZSA-N 1 1 294.395 2.331 20 10 CECDMO CCCC[N@@H+](C)C[C@H](C)NCc1cc2c(cc1O)OCO2 ZINC000288708003 376381956 /nfs/dbraw/zinc/38/19/56/376381956.db2.gz ZCAQLNPFXUZLJV-LBPRGKRZSA-N 1 1 294.395 2.331 20 10 CECDMO CCN(CC)c1ccc(C[N@@H+](C)[C@H](C)CO)cc1F ZINC000289176399 376389446 /nfs/dbraw/zinc/38/94/46/376389446.db2.gz ABEWAOFJCWLBOV-GFCCVEGCSA-N 1 1 268.376 2.485 20 10 CECDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@@H](O)CC2)c1 ZINC000294114384 377909502 /nfs/dbraw/zinc/90/95/02/377909502.db2.gz SUSMCAPXALMXKS-CYBMUJFWSA-N 1 1 265.353 2.138 20 10 CECDMO C[C@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2O)[C@@H]1CO ZINC000294776918 378018634 /nfs/dbraw/zinc/01/86/34/378018634.db2.gz UDLXFKWUZKPUGS-QPUJVOFHSA-N 1 1 273.735 2.387 20 10 CECDMO C[C@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2O)[C@@H]1CO ZINC000294776918 378018638 /nfs/dbraw/zinc/01/86/38/378018638.db2.gz UDLXFKWUZKPUGS-QPUJVOFHSA-N 1 1 273.735 2.387 20 10 CECDMO CCN(CC)c1ccc(C[N@@H+](CCO)CCOC)cc1F ZINC000093005768 394665114 /nfs/dbraw/zinc/66/51/14/394665114.db2.gz PITODXFYTVKYTH-UHFFFAOYSA-N 1 1 298.402 2.113 20 10 CECDMO CC[N@H+]1CCCC[C@H]1C(=O)N(C)Cc1ccccc1O ZINC000104853222 394721081 /nfs/dbraw/zinc/72/10/81/394721081.db2.gz IPBBBWZWOJVYLB-AWEZNQCLSA-N 1 1 276.380 2.225 20 10 CECDMO CCC[N@@H+](CC(=O)N(C)C)Cc1ccc(N(C)C)c(F)c1 ZINC000130647967 394893115 /nfs/dbraw/zinc/89/31/15/394893115.db2.gz BNKZZPBZNSBCKB-UHFFFAOYSA-N 1 1 295.402 2.192 20 10 CECDMO COc1cccc(C[N@H+]2CCO[C@H]3CCC[C@@H]32)c1O ZINC000132770020 394936790 /nfs/dbraw/zinc/93/67/90/394936790.db2.gz YHKJPXVBHSRNLB-STQMWFEESA-N 1 1 263.337 2.154 20 10 CECDMO CO[C@H](C)C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000182333866 395239144 /nfs/dbraw/zinc/23/91/44/395239144.db2.gz IYWJLRSLMXSZHH-HIFRSBDPSA-N 1 1 279.380 2.408 20 10 CECDMO C[C@@H]1CCC[C@@H](CO)[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000193439805 395408342 /nfs/dbraw/zinc/40/83/42/395408342.db2.gz NFULROIQMQAFPB-CJNGLKHVSA-N 1 1 262.397 2.488 20 10 CECDMO CC[N@H+]1CCCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000155370266 261101327 /nfs/dbraw/zinc/10/13/27/261101327.db2.gz DDCLKQBPNIUBEM-UHFFFAOYSA-N 1 1 261.413 2.280 20 10 CECDMO CCN1CCC[N@H+](Cc2ccc(N(C)C)cc2)CC1 ZINC000155370266 261101328 /nfs/dbraw/zinc/10/13/28/261101328.db2.gz DDCLKQBPNIUBEM-UHFFFAOYSA-N 1 1 261.413 2.280 20 10 CECDMO CCN1CCC[N@@H+](Cc2ccc(N(C)C)cc2)CC1 ZINC000155370266 261101329 /nfs/dbraw/zinc/10/13/29/261101329.db2.gz DDCLKQBPNIUBEM-UHFFFAOYSA-N 1 1 261.413 2.280 20 10 CECDMO CCC[C@H]1C[N@H+](Cc2cc(OC)c(OC)cc2O)CCO1 ZINC000160508266 261216058 /nfs/dbraw/zinc/21/60/58/261216058.db2.gz SUAZNUMZNKQCIS-ZDUSSCGKSA-N 1 1 295.379 2.410 20 10 CECDMO CCC[C@H]1C[N@@H+](Cc2cc(OC)c(OC)cc2O)CCO1 ZINC000160508266 261216060 /nfs/dbraw/zinc/21/60/60/261216060.db2.gz SUAZNUMZNKQCIS-ZDUSSCGKSA-N 1 1 295.379 2.410 20 10 CECDMO COc1ccc(O)c(C[N@H+]2CCC[C@]23CCOC3)c1 ZINC000311738965 262340216 /nfs/dbraw/zinc/34/02/16/262340216.db2.gz AZEBJCQABNAVEP-OAHLLOKOSA-N 1 1 263.337 2.156 20 10 CECDMO CCOc1cccc(C[N@@H+](C)[C@@H]2CCC[C@H]2O)c1O ZINC000289756006 263111769 /nfs/dbraw/zinc/11/17/69/263111769.db2.gz QVZOPEMRAMPYDG-CHWSQXEVSA-N 1 1 265.353 2.136 20 10 CECDMO CC[C@H]1C[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C[C@@H]1O ZINC000294148592 265000440 /nfs/dbraw/zinc/00/04/40/265000440.db2.gz HWRJLWMOYKWSPW-SDBXPKJASA-N 1 1 273.735 2.387 20 10 CECDMO CC[C@H]1C[N@H+](Cc2cc(Cl)c(F)cc2O)C[C@@H]1O ZINC000294148592 265000445 /nfs/dbraw/zinc/00/04/45/265000445.db2.gz HWRJLWMOYKWSPW-SDBXPKJASA-N 1 1 273.735 2.387 20 10 CECDMO COc1cc(O)c(C[N@H+]2CCOCC[C@@H]2C)cc1OC ZINC000367684348 267108716 /nfs/dbraw/zinc/10/87/16/267108716.db2.gz MZNSGAUFCOVCNJ-NSHDSACASA-N 1 1 281.352 2.020 20 10 CECDMO CC[C@H](c1ccccc1O)[N@H+]1C[C@H](F)C[C@@H]1CO ZINC000368041617 267140954 /nfs/dbraw/zinc/14/09/54/267140954.db2.gz UQHMMJKPLBSSGX-NQBHXWOUSA-N 1 1 253.317 2.248 20 10 CECDMO CN1CCc2cc(C[NH2+][C@H]3CCc4[nH]cnc4C3)ccc21 ZINC000368091846 267145383 /nfs/dbraw/zinc/14/53/83/267145383.db2.gz YAHFCXOXIMADIW-AWEZNQCLSA-N 1 1 282.391 2.049 20 10 CECDMO C[C@@H]1CCOCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000368593792 267189681 /nfs/dbraw/zinc/18/96/81/267189681.db2.gz PUNCLWQTLGJHJL-OAHLLOKOSA-N 1 1 290.407 2.134 20 10 CECDMO COc1ccc(O)c([C@@H](C)[N@@H+]2CCc3c(ncn3C)C2)c1 ZINC000368878413 267210717 /nfs/dbraw/zinc/21/07/17/267210717.db2.gz CTDXIDFOJBRBSZ-LLVKDONJSA-N 1 1 287.363 2.254 20 10 CECDMO COc1ccc(O)c([C@@H](C)[N@H+]2CCc3c(ncn3C)C2)c1 ZINC000368878413 267210719 /nfs/dbraw/zinc/21/07/19/267210719.db2.gz CTDXIDFOJBRBSZ-LLVKDONJSA-N 1 1 287.363 2.254 20 10 CECDMO Oc1cc2c(cc1C[N@H+]1CC[C@H](C3CC3)C1)OCO2 ZINC000371259746 267379028 /nfs/dbraw/zinc/37/90/28/267379028.db2.gz VBFYPFFOGBAOSH-NSHDSACASA-N 1 1 261.321 2.353 20 10 CECDMO Oc1cc2c(cc1C[N@H+]1CC[C@@H](C3CC3)C1)OCO2 ZINC000371259745 267379493 /nfs/dbraw/zinc/37/94/93/267379493.db2.gz VBFYPFFOGBAOSH-LLVKDONJSA-N 1 1 261.321 2.353 20 10 CECDMO Cc1ccc(O)c(C[N@H+]2CCC[C@@H](c3nnc[nH]3)C2)c1 ZINC000371331693 267391580 /nfs/dbraw/zinc/39/15/80/267391580.db2.gz JYXOWFUVWKOBSJ-GFCCVEGCSA-N 1 1 272.352 2.198 20 10 CECDMO COc1ccc(O)c(C[N@@H+]2CC[C@H](N3CCCCC3)C2)c1 ZINC000134121453 274114842 /nfs/dbraw/zinc/11/48/42/274114842.db2.gz OLTLCDOUODBJIU-HNNXBMFYSA-N 1 1 290.407 2.461 20 10 CECDMO COc1ccc(O)c(C[N@H+]2CC[C@H](N3CCCCC3)C2)c1 ZINC000134121453 274114843 /nfs/dbraw/zinc/11/48/43/274114843.db2.gz OLTLCDOUODBJIU-HNNXBMFYSA-N 1 1 290.407 2.461 20 10 CECDMO CCC[C@]1(C)C(=O)NCC[N@@H+]1Cc1cccc(C)c1O ZINC000189040194 276052823 /nfs/dbraw/zinc/05/28/23/276052823.db2.gz PPBJFDANGPOQBT-MRXNPFEDSA-N 1 1 276.380 2.191 20 10 CECDMO CC(C)[C@H](O)C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000283855490 280346083 /nfs/dbraw/zinc/34/60/83/280346083.db2.gz HRHDFIYDGBFTBM-NVXWUHKLSA-N 1 1 293.407 2.390 20 10 CECDMO Cc1cc(O)c(C[N@@H+]2CC[S@@](=O)CC[C@@H]2C)cc1C ZINC000377305708 329010632 /nfs/dbraw/zinc/01/06/32/329010632.db2.gz MPOZBEMUNUWVFF-DJJJIMSYSA-N 1 1 281.421 2.352 20 10 CECDMO CC[C@H](c1ccccc1O)[N@H+]1CCCN(C)C(=O)C1 ZINC000377713998 329026659 /nfs/dbraw/zinc/02/66/59/329026659.db2.gz CWXMMYOCWXHIBK-CYBMUJFWSA-N 1 1 262.353 2.007 20 10 CECDMO COC(=O)[C@H]1CCCCC[N@H+]1Cc1ccccc1O ZINC000360020602 329070074 /nfs/dbraw/zinc/07/00/74/329070074.db2.gz VBBUSTCZADCLRS-CYBMUJFWSA-N 1 1 263.337 2.310 20 10 CECDMO CCn1ncc(C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)n1 ZINC000527922431 330295947 /nfs/dbraw/zinc/29/59/47/330295947.db2.gz GIGFOFMCJJMEQM-SKDRFNHKSA-N 1 1 290.342 2.481 20 10 CECDMO COc1ccc(O)c(C[N@H+]2CCC[C@](C)(OC)C2)c1 ZINC000230299787 333316117 /nfs/dbraw/zinc/31/61/17/333316117.db2.gz NFJBADFMTVTPCC-HNNXBMFYSA-N 1 1 265.353 2.402 20 10 CECDMO Cc1ccc(O)c(C[N@H+]2CC[C@H](N3CCCC3)C2)c1 ZINC000133943018 334074015 /nfs/dbraw/zinc/07/40/15/334074015.db2.gz XEKIGIOASHTNML-HNNXBMFYSA-N 1 1 260.381 2.371 20 10 CECDMO Cc1ccc(O)c(CN2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000133943018 334074016 /nfs/dbraw/zinc/07/40/16/334074016.db2.gz XEKIGIOASHTNML-HNNXBMFYSA-N 1 1 260.381 2.371 20 10 CECDMO CCCC[N@@H+](CCCO)Cc1cc2c(cc1O)OCO2 ZINC000289466242 520506404 /nfs/dbraw/zinc/50/64/04/520506404.db2.gz OYQRKFZTZLUEAC-UHFFFAOYSA-N 1 1 281.352 2.105 20 10 CECDMO CCOc1cccc(C[N@@H+]2CC[C@H](C)[S@@](=O)CC2)c1O ZINC000277725612 521345427 /nfs/dbraw/zinc/34/54/27/521345427.db2.gz SSPXCNRSHWQRSV-YUNKPMOVSA-N 1 1 297.420 2.134 20 10 CECDMO CCOc1cccc(C[N@H+]2CC[C@H](C)[S@@](=O)CC2)c1O ZINC000277725612 521345430 /nfs/dbraw/zinc/34/54/30/521345430.db2.gz SSPXCNRSHWQRSV-YUNKPMOVSA-N 1 1 297.420 2.134 20 10 CECDMO COc1c(O)c(C[NH2+][C@@H]2CC2(C)C)ccc1[N+](=O)[O-] ZINC000278634283 521878401 /nfs/dbraw/zinc/87/84/01/521878401.db2.gz HGCRJPNAYUDBKC-SNVBAGLBSA-N 1 1 266.297 2.197 20 10 CECDMO COc1c(O)c(C[NH2+]C[C@@H](C)SC)ccc1[N+](=O)[O-] ZINC000278548902 521879293 /nfs/dbraw/zinc/87/92/93/521879293.db2.gz YTIANUQEQLAKSK-MRVPVSSYSA-N 1 1 286.353 2.150 20 10 CECDMO COC[C@@H]1C[N@H+](Cc2c(O)cccc2Cl)C[C@@H](C)O1 ZINC000275876568 522508511 /nfs/dbraw/zinc/50/85/11/522508511.db2.gz ATGVBTCDJBRBAD-MNOVXSKESA-N 1 1 285.771 2.281 20 10 CECDMO COC[C@@H]1C[N@@H+](Cc2c(O)cccc2Cl)C[C@@H](C)O1 ZINC000275876568 522508519 /nfs/dbraw/zinc/50/85/19/522508519.db2.gz ATGVBTCDJBRBAD-MNOVXSKESA-N 1 1 285.771 2.281 20 10 CECDMO CC[C@@H]([NH2+]Cc1ncn(C)n1)c1ccc(C)cc1O ZINC000280269150 522896502 /nfs/dbraw/zinc/89/65/02/522896502.db2.gz XTQQBYSEMVMVCG-GFCCVEGCSA-N 1 1 260.341 2.070 20 10 CECDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)Cc1ccc(N)cc1 ZINC000237032162 523025745 /nfs/dbraw/zinc/02/57/45/523025745.db2.gz XJHRJGCOQVBULO-INIZCTEOSA-N 1 1 289.423 2.192 20 10 CECDMO CC[C@@H]1C[N@H+](Cc2ccccc2O)C[C@H](C)[S@@]1=O ZINC000289586373 523456873 /nfs/dbraw/zinc/45/68/73/523456873.db2.gz KFAVSSOQVPJPMO-WHWRDJHUSA-N 1 1 267.394 2.124 20 10 CECDMO CC[C@@H]1C[N@@H+](Cc2ccccc2O)C[C@H](C)[S@@]1=O ZINC000289586373 523456882 /nfs/dbraw/zinc/45/68/82/523456882.db2.gz KFAVSSOQVPJPMO-WHWRDJHUSA-N 1 1 267.394 2.124 20 10 CECDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1Cc1ccccc1O ZINC000278666492 524924799 /nfs/dbraw/zinc/92/47/99/524924799.db2.gz MZWQTSNCRQSSEE-CQSZACIVSA-N 1 1 290.407 2.077 20 10 CECDMO C[C@@H]1CN(C2CCOCC2)CC[N@@H+]1Cc1ccccc1O ZINC000278666492 524924808 /nfs/dbraw/zinc/92/48/08/524924808.db2.gz MZWQTSNCRQSSEE-CQSZACIVSA-N 1 1 290.407 2.077 20 10 CECDMO C[C@@H]1CN(C2CCOCC2)CC[N@H+]1Cc1ccccc1O ZINC000278666492 524924820 /nfs/dbraw/zinc/92/48/20/524924820.db2.gz MZWQTSNCRQSSEE-CQSZACIVSA-N 1 1 290.407 2.077 20 10 CECDMO Cc1ccc(O)c(C[N@H+]2CCO[C@]3(CCO[C@@H]3C)C2)c1 ZINC000279709357 525341523 /nfs/dbraw/zinc/34/15/23/525341523.db2.gz SHXYKRFMWVMQMO-CZUORRHYSA-N 1 1 277.364 2.080 20 10 CECDMO COc1cccc(C[N@@H+]2CCOC[C@H]2CC(F)F)c1O ZINC000289599705 525948082 /nfs/dbraw/zinc/94/80/82/525948082.db2.gz KTFKZWAHFWFBOJ-LLVKDONJSA-N 1 1 287.306 2.257 20 10 CECDMO COc1cccc(C[N@H+]2CCOC[C@H]2CC(F)F)c1O ZINC000289599705 525948089 /nfs/dbraw/zinc/94/80/89/525948089.db2.gz KTFKZWAHFWFBOJ-LLVKDONJSA-N 1 1 287.306 2.257 20 10 CECDMO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3O)C2)c1 ZINC000290374992 526267047 /nfs/dbraw/zinc/26/70/47/526267047.db2.gz ATDKUZCUZFPXAI-CQSZACIVSA-N 1 1 257.337 2.344 20 10 CECDMO Cc1cnn([C@H]2CC[N@@H+](Cc3cc(F)ccc3O)C2)c1 ZINC000290822778 526268979 /nfs/dbraw/zinc/26/89/79/526268979.db2.gz GYWJSNGDVHIWPC-AWEZNQCLSA-N 1 1 275.327 2.483 20 10 CECDMO OC[C@H]1[C@@H]2C[N@@H+](Cc3ccc(N4CCCCC4)cc3)C[C@H]12 ZINC000367838353 527624936 /nfs/dbraw/zinc/62/49/36/527624936.db2.gz CVSRNLMQAIWGHQ-PIIMJCKOSA-N 1 1 286.419 2.347 20 10 CECDMO CCOc1cccc(C[NH2+][C@H](C)c2nc(C)no2)c1O ZINC000729684759 574490638 /nfs/dbraw/zinc/49/06/38/574490638.db2.gz VTGHDJLCTLHKEG-SECBINFHSA-N 1 1 277.324 2.333 20 10 CECDMO CCC[N@@H+]1CC[C@@H](NCc2ccc(N(C)C)cc2)C1 ZINC000328166559 627864446 /nfs/dbraw/zinc/86/44/46/627864446.db2.gz IZNNOMGFERTLEZ-OAHLLOKOSA-N 1 1 261.413 2.327 20 10 CECDMO CCC[N@H+]1CC[C@@H](NCc2ccc(N(C)C)cc2)C1 ZINC000328166559 627864452 /nfs/dbraw/zinc/86/44/52/627864452.db2.gz IZNNOMGFERTLEZ-OAHLLOKOSA-N 1 1 261.413 2.327 20 10 CECDMO CCOC(=O)C[N@H+](CC)Cc1cc(C)c(C)cc1O ZINC000092399520 628281371 /nfs/dbraw/zinc/28/13/71/628281371.db2.gz XTRYSQPIFAQUEM-UHFFFAOYSA-N 1 1 265.353 2.394 20 10 CECDMO CCOC(=O)C[N@@H+](CC)Cc1cc(C)c(C)cc1O ZINC000092399520 628281372 /nfs/dbraw/zinc/28/13/72/628281372.db2.gz XTRYSQPIFAQUEM-UHFFFAOYSA-N 1 1 265.353 2.394 20 10 CECDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H](CCC(N)=O)C2)cc1 ZINC000092659882 628498017 /nfs/dbraw/zinc/49/80/17/628498017.db2.gz GVENZOCDWRQCRX-AWEZNQCLSA-N 1 1 289.423 2.230 20 10 CECDMO Cc1cc(O)c(C[N@H+]2C[C@@H]3C[C@]3(CO)C2)c(Cl)c1 ZINC000840938868 628757513 /nfs/dbraw/zinc/75/75/13/628757513.db2.gz IQSIDJAVXMMKCB-IINYFYTJSA-N 1 1 267.756 2.168 20 10 CECDMO COC(=O)[C@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2C)[C@H]1C ZINC000840942212 628790515 /nfs/dbraw/zinc/79/05/15/628790515.db2.gz VPAOFGRSNZJORA-BBRMVZONSA-N 1 1 290.407 2.444 20 10 CECDMO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000893867256 629021713 /nfs/dbraw/zinc/02/17/13/629021713.db2.gz TWRFHKGCBDTIIE-SNVBAGLBSA-N 1 1 299.317 2.446 20 10 CECDMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000893867256 629021714 /nfs/dbraw/zinc/02/17/14/629021714.db2.gz TWRFHKGCBDTIIE-SNVBAGLBSA-N 1 1 299.317 2.446 20 10 CECDMO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]Cc1cc(F)cc(F)c1O ZINC000894454713 629468910 /nfs/dbraw/zinc/46/89/10/629468910.db2.gz VGLZTTZSXDSPRM-RKDXNWHRSA-N 1 1 287.306 2.348 20 10 CECDMO CCOC(=O)C1(C[NH2+]Cc2cc(F)cc(F)c2O)CC1 ZINC000894479439 629485703 /nfs/dbraw/zinc/48/57/03/629485703.db2.gz IPMHXSMEICDZAV-UHFFFAOYSA-N 1 1 285.290 2.103 20 10 CECDMO C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1cc(F)cc(F)c1O ZINC000895033815 629807073 /nfs/dbraw/zinc/80/70/73/629807073.db2.gz KLMSAFJZYVNVNK-KCJUWKMLSA-N 1 1 257.280 2.016 20 10 CECDMO C[C@@H]1CC[C@H](O)C[N@H+]1Cc1cc(F)cc(F)c1O ZINC000895033815 629807076 /nfs/dbraw/zinc/80/70/76/629807076.db2.gz KLMSAFJZYVNVNK-KCJUWKMLSA-N 1 1 257.280 2.016 20 10 CECDMO C[N@@H+]1C[C@@H]2CCCN(Cc3cc(F)cc(F)c3O)[C@@H]2C1 ZINC000895055699 629828980 /nfs/dbraw/zinc/82/89/80/629828980.db2.gz VRQFTTHZWWYROZ-IINYFYTJSA-N 1 1 282.334 2.196 20 10 CECDMO C[N@H+]1C[C@@H]2CCCN(Cc3cc(F)cc(F)c3O)[C@@H]2C1 ZINC000895055699 629828984 /nfs/dbraw/zinc/82/89/84/629828984.db2.gz VRQFTTHZWWYROZ-IINYFYTJSA-N 1 1 282.334 2.196 20 10 CECDMO CC[N@H+]1CCN(Cc2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC000796316769 629842615 /nfs/dbraw/zinc/84/26/15/629842615.db2.gz PETLCGFDHLCRHT-AWEZNQCLSA-N 1 1 261.413 2.279 20 10 CECDMO CCN1CC[N@H+](Cc2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC000796316769 629842630 /nfs/dbraw/zinc/84/26/30/629842630.db2.gz PETLCGFDHLCRHT-AWEZNQCLSA-N 1 1 261.413 2.279 20 10 CECDMO CCN1CC[N@@H+](Cc2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC000796316769 629842632 /nfs/dbraw/zinc/84/26/32/629842632.db2.gz PETLCGFDHLCRHT-AWEZNQCLSA-N 1 1 261.413 2.279 20 10 CECDMO CC[C@H]([NH2+]CCN1CCC1)c1ccc(F)cc1O ZINC000796838903 630032969 /nfs/dbraw/zinc/03/29/69/630032969.db2.gz FCJPYDZPXZTFER-ZDUSSCGKSA-N 1 1 252.333 2.278 20 10 CECDMO COc1cc(C)cc(C[NH2+][C@H]2C[C@@H](C)n3ncnc32)c1O ZINC000895232049 630044036 /nfs/dbraw/zinc/04/40/36/630044036.db2.gz XWLKMOALRJIEEZ-PWSUYJOCSA-N 1 1 288.351 2.096 20 10 CECDMO CC[C@@H]([NH2+][C@@H](CO)C1CCOCC1)c1ccc(F)cc1O ZINC000796935884 630074578 /nfs/dbraw/zinc/07/45/78/630074578.db2.gz GYSHUXAUACCRBB-CABCVRRESA-N 1 1 297.370 2.360 20 10 CECDMO CC[C@@H]([NH2+]Cc1cc(C(N)=O)co1)c1ccc(F)cc1O ZINC000796954875 630082844 /nfs/dbraw/zinc/08/28/44/630082844.db2.gz RAVVNWPVEVAEKF-CYBMUJFWSA-N 1 1 292.310 2.464 20 10 CECDMO OC[C@]1(C(F)(F)F)CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000895835397 630371607 /nfs/dbraw/zinc/37/16/07/630371607.db2.gz CFGVAVHXYJEGNI-LBPRGKRZSA-N 1 1 293.260 2.278 20 10 CECDMO Cc1ccc(C[N@H+]2[C@H](C)C(=O)N(C)[C@@H](C)[C@H]2C)c(O)c1 ZINC000895923592 630404911 /nfs/dbraw/zinc/40/49/11/630404911.db2.gz WZKKJAPNBFMTAW-YNEHKIRRSA-N 1 1 276.380 2.140 20 10 CECDMO COC(=O)C(C)(C)CC[NH2+]Cc1c(O)cccc1F ZINC000896638593 630621989 /nfs/dbraw/zinc/62/19/89/630621989.db2.gz WCHVLAJFOFYAEI-UHFFFAOYSA-N 1 1 269.316 2.210 20 10 CECDMO CCOC(=O)[C@H]1CC[N@@H+](Cc2ccc(OCC)cc2O)C1 ZINC000896962002 630844872 /nfs/dbraw/zinc/84/48/72/630844872.db2.gz HJORTIPBFCCUDL-ZDUSSCGKSA-N 1 1 293.363 2.176 20 10 CECDMO CCOC(=O)[C@H]1CC[N@@H+](Cc2cc(OCC)ccc2O)C1 ZINC000896962948 630846221 /nfs/dbraw/zinc/84/62/21/630846221.db2.gz UHBKIDBVLHRNCD-LBPRGKRZSA-N 1 1 293.363 2.176 20 10 CECDMO COCCO[C@H]1CCC[N@@H+](Cc2cc(C)ccc2O)C1 ZINC000802653031 631440903 /nfs/dbraw/zinc/44/09/03/631440903.db2.gz NMNXCYGFKCNHCT-HNNXBMFYSA-N 1 1 279.380 2.328 20 10 CECDMO Cc1cccc(C[N@H+]2CCO[C@@H](c3ccnn3C)C2)c1O ZINC000897558428 631780185 /nfs/dbraw/zinc/78/01/85/631780185.db2.gz HYYVTOKJFDAUQY-OAHLLOKOSA-N 1 1 287.363 2.008 20 10 CECDMO CC[C@H]1CN(C)CC[N@H+]1Cc1c(O)ccc2ccncc21 ZINC000840091772 631835293 /nfs/dbraw/zinc/83/52/93/631835293.db2.gz OIGRJSATHFIKLV-AWEZNQCLSA-N 1 1 285.391 2.466 20 10 CECDMO Oc1cc2c(cc1C[N@@H+]1CCO[C@H](C3CCC3)C1)OCO2 ZINC000840176944 632090895 /nfs/dbraw/zinc/09/08/95/632090895.db2.gz UOBQNFHUPUXXDD-INIZCTEOSA-N 1 1 291.347 2.122 20 10 CECDMO Oc1cc2c(cc1C[N@H+]1CCO[C@H](C3CCC3)C1)OCO2 ZINC000840176944 632090904 /nfs/dbraw/zinc/09/09/04/632090904.db2.gz UOBQNFHUPUXXDD-INIZCTEOSA-N 1 1 291.347 2.122 20 10 CECDMO CN(C)C(=O)[C@@H]1CC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000840177783 632092411 /nfs/dbraw/zinc/09/24/11/632092411.db2.gz LQKSDRUEFNEZOM-CQSZACIVSA-N 1 1 298.386 2.456 20 10 CECDMO Cc1cc(O)c(C[N@H+](C)[C@H](CO)COC(C)C)cc1C ZINC000809768335 632143026 /nfs/dbraw/zinc/14/30/26/632143026.db2.gz IFTPHYDDRXCFQP-OAHLLOKOSA-N 1 1 281.396 2.227 20 10 CECDMO CCOCc1cc(CN[C@@H]2CC[NH2+]C[C@@H]2C)ccc1OC ZINC000841063159 632372758 /nfs/dbraw/zinc/37/27/58/632372758.db2.gz FDICYUWIMJMJQR-XJKSGUPXSA-N 1 1 292.423 2.319 20 10 CECDMO CCOc1ccc(C[NH+]2CC(O)(c3ccccc3)C2)c(O)c1 ZINC000811508932 632393542 /nfs/dbraw/zinc/39/35/42/632393542.db2.gz LMHHQNSPEYWPSS-UHFFFAOYSA-N 1 1 299.370 2.494 20 10 CECDMO COc1cc(O)c(CN[C@@H](C)C[N@H+](C)C(C)C)cc1OC ZINC000811512556 632393567 /nfs/dbraw/zinc/39/35/67/632393567.db2.gz OWIZCBSHQWVWHO-LBPRGKRZSA-N 1 1 296.411 2.228 20 10 CECDMO COc1cc(O)c(CN[C@@H](C)C[N@@H+](C)C(C)C)cc1OC ZINC000811512556 632393569 /nfs/dbraw/zinc/39/35/69/632393569.db2.gz OWIZCBSHQWVWHO-LBPRGKRZSA-N 1 1 296.411 2.228 20 10 CECDMO C[N@H+]1C[C@H]2[C@@H](CCN2Cc2cc(Cl)cc(F)c2O)C1 ZINC000814173732 632799119 /nfs/dbraw/zinc/79/91/19/632799119.db2.gz PDIKVPZTVMTXSL-ZANVPECISA-N 1 1 284.762 2.321 20 10 CECDMO C[N@@H+]1C[C@H]2[C@@H](CCN2Cc2cc(Cl)cc(F)c2O)C1 ZINC000814173732 632799126 /nfs/dbraw/zinc/79/91/26/632799126.db2.gz PDIKVPZTVMTXSL-ZANVPECISA-N 1 1 284.762 2.321 20 10 CECDMO Cc1cc(C[N@H+]2CCCC[C@@H]2CO)ccc1N(C)C ZINC000815017723 632950165 /nfs/dbraw/zinc/95/01/65/632950165.db2.gz UGKMLNBQBOGGJQ-OAHLLOKOSA-N 1 1 262.397 2.408 20 10 CECDMO CCOC(=O)C[N@H+](CC)Cc1ccc(N(C)C)c(C)c1 ZINC000815024758 632950287 /nfs/dbraw/zinc/95/02/87/632950287.db2.gz MDWRXTMMOFINQM-UHFFFAOYSA-N 1 1 278.396 2.446 20 10 CECDMO CCOC(=O)C[N@@H+](CC)Cc1ccc(N(C)C)c(C)c1 ZINC000815024758 632950292 /nfs/dbraw/zinc/95/02/92/632950292.db2.gz MDWRXTMMOFINQM-UHFFFAOYSA-N 1 1 278.396 2.446 20 10 CECDMO Cc1cc(C[N@H+]2CCCC[C@]2(C)C(N)=O)ccc1N(C)C ZINC000815092587 632957140 /nfs/dbraw/zinc/95/71/40/632957140.db2.gz LRCNDCBMSLWCJE-QGZVFWFLSA-N 1 1 289.423 2.291 20 10 CECDMO Cc1cc(C[N@H+]2CC[C@H](O)[C@H](C)C2)ccc1N(C)C ZINC000815096661 632958012 /nfs/dbraw/zinc/95/80/12/632958012.db2.gz UIZKBPIGNZDNQQ-CJNGLKHVSA-N 1 1 262.397 2.264 20 10 CECDMO CCN(C)c1ccc(C[N@@H+](CC)[C@H](C)CO)cc1 ZINC000815121166 632962989 /nfs/dbraw/zinc/96/29/89/632962989.db2.gz RPDOZHUMBAMMIE-CYBMUJFWSA-N 1 1 250.386 2.345 20 10 CECDMO C[S@](=O)CCC[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816552674 633411307 /nfs/dbraw/zinc/41/13/07/633411307.db2.gz SJJRPATXOWLYBC-KRWDZBQOSA-N 1 1 279.764 2.043 20 10 CECDMO OC[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2O)CC1 ZINC000816665363 633459987 /nfs/dbraw/zinc/45/99/87/633459987.db2.gz DLGFCBURLPWHTA-LLVKDONJSA-N 1 1 253.317 2.126 20 10 CECDMO CCOc1ccc(O)c(C[N@@H+]2C[C@H](CO)C[C@H](C)C2)c1 ZINC000817412922 633652302 /nfs/dbraw/zinc/65/23/02/633652302.db2.gz QZCRPWYOCPIYDS-QWHCGFSZSA-N 1 1 279.380 2.241 20 10 CECDMO CC(=O)N[C@@H]1CC[N@@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000817414311 633652837 /nfs/dbraw/zinc/65/28/37/633652837.db2.gz FIGXJLWSZXEWPN-LLVKDONJSA-N 1 1 282.771 2.064 20 10 CECDMO CC(=O)N[C@H]1CC[N@@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000817414315 633653367 /nfs/dbraw/zinc/65/33/67/633653367.db2.gz FIGXJLWSZXEWPN-NSHDSACASA-N 1 1 282.771 2.064 20 10 CECDMO CC(=O)N[C@H]1CC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000817415708 633655207 /nfs/dbraw/zinc/65/52/07/633655207.db2.gz XBYWZJIOELJOEF-HNNXBMFYSA-N 1 1 284.359 2.256 20 10 CECDMO C[C@H](NC[C@@H]1CCC[NH2+]1)c1cc(F)cc(F)c1O ZINC000817951455 633795918 /nfs/dbraw/zinc/79/59/18/633795918.db2.gz FWHSMABJBPFFFD-WPRPVWTQSA-N 1 1 256.296 2.073 20 10 CECDMO C[C@H]([NH2+]CCNC1CC1)c1cc(Cl)ccc1O ZINC000817954556 633798785 /nfs/dbraw/zinc/79/87/85/633798785.db2.gz YQGRBIPXGUKOKJ-VIFPVBQESA-N 1 1 254.761 2.448 20 10 CECDMO C[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1ccc(Br)cc1[O-] ZINC000817963017 633804537 /nfs/dbraw/zinc/80/45/37/633804537.db2.gz QFUTXYMEFYOXBG-DTWKUNHWSA-N 1 1 287.201 2.400 20 10 CECDMO C[C@@H]([NH2+]CC1C[NH2+]C1)c1cc(Br)ccc1[O-] ZINC000817965332 633807089 /nfs/dbraw/zinc/80/70/89/633807089.db2.gz OMOWXBYTZPQBHZ-MRVPVSSYSA-N 1 1 285.185 2.025 20 10 CECDMO CC[C@H]([NH2+]CC1C[NH2+]C1)c1cc(Cl)ccc1[O-] ZINC000817965655 633808141 /nfs/dbraw/zinc/80/81/41/633808141.db2.gz SSSSFBXIAVCFFB-LBPRGKRZSA-N 1 1 254.761 2.306 20 10 CECDMO CC[C@@H](NCC(F)(F)C[NH3+])c1ccc(N(C)C)cc1 ZINC000817965537 633808442 /nfs/dbraw/zinc/80/84/42/633808442.db2.gz ADUDVHJNMNEYHN-CYBMUJFWSA-N 1 1 271.355 2.387 20 10 CECDMO C[C@@H]1C[C@H](NC[C@@H]2C[C@H](F)C[NH2+]2)c2c1c(F)ccc2O ZINC000817977068 633819971 /nfs/dbraw/zinc/81/99/71/633819971.db2.gz ZXVCZBRIISPTSD-WDCWCFNPSA-N 1 1 282.334 2.369 20 10 CECDMO O=C(NCc1ccccc1O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000901125510 633955458 /nfs/dbraw/zinc/95/54/58/633955458.db2.gz YESIKYUBAGGYHU-UONOGXRCSA-N 1 1 274.364 2.025 20 10 CECDMO CCOC(=O)C[N@@H+](Cc1ccccc1O)C[C@H](C)COC ZINC000822512019 634934138 /nfs/dbraw/zinc/93/41/38/634934138.db2.gz RVWIJKONBLOJBP-ZDUSSCGKSA-N 1 1 295.379 2.040 20 10 CECDMO CCOC(=O)C[N@H+](Cc1ccccc1O)C[C@H](C)COC ZINC000822512019 634934142 /nfs/dbraw/zinc/93/41/42/634934142.db2.gz RVWIJKONBLOJBP-ZDUSSCGKSA-N 1 1 295.379 2.040 20 10 CECDMO [O-]c1c(F)cccc1C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903960151 635369154 /nfs/dbraw/zinc/36/91/54/635369154.db2.gz YBSAZTRCQFASBA-INIZCTEOSA-N 1 1 278.371 2.497 20 10 CECDMO C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000903974806 635392698 /nfs/dbraw/zinc/39/26/98/635392698.db2.gz SXOSFPGFTRONRV-GHMZBOCLSA-N 1 1 268.788 2.381 20 10 CECDMO CCC[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O)OC ZINC000824543201 635447680 /nfs/dbraw/zinc/44/76/80/635447680.db2.gz GOXSCXMMVZYPOB-LLVKDONJSA-N 1 1 298.339 2.214 20 10 CECDMO C[C@H]1C[NH2+]CC[C@@H]1NCc1ccc2c(c1)CCCO2 ZINC000904356335 635587973 /nfs/dbraw/zinc/58/79/73/635587973.db2.gz VZXUYUPFAIISEI-WFASDCNBSA-N 1 1 260.381 2.099 20 10 CECDMO C[C@@H]1C[C@H](O)C[N@@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000825312964 635612212 /nfs/dbraw/zinc/61/22/12/635612212.db2.gz ZQSWTXRAJYKZEM-YPMHNXCESA-N 1 1 266.360 2.094 20 10 CECDMO CCOc1cccc(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)c1O ZINC000904411532 635619241 /nfs/dbraw/zinc/61/92/41/635619241.db2.gz LZDJPEGEHMCJTQ-OLZOCXBDSA-N 1 1 278.396 2.208 20 10 CECDMO COc1cc(Cl)cc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)c1O ZINC000904411639 635619592 /nfs/dbraw/zinc/61/95/92/635619592.db2.gz ONWKCBXXRSDYTD-QWRGUYRKSA-N 1 1 298.814 2.471 20 10 CECDMO COc1ccc(O)c(CN(C)[C@H]2CC[N@H+](C(C)C)C2)c1 ZINC000825338960 635620494 /nfs/dbraw/zinc/62/04/94/635620494.db2.gz XDBGBZBQMPSQIP-AWEZNQCLSA-N 1 1 278.396 2.315 20 10 CECDMO COc1ccc(O)c(C[N@H+](C)[C@H]2CCN(C(C)C)C2)c1 ZINC000825338960 635620499 /nfs/dbraw/zinc/62/04/99/635620499.db2.gz XDBGBZBQMPSQIP-AWEZNQCLSA-N 1 1 278.396 2.315 20 10 CECDMO COc1ccc(O)c(C[N@@H+](C)[C@H]2CCN(C(C)C)C2)c1 ZINC000825338960 635620502 /nfs/dbraw/zinc/62/05/02/635620502.db2.gz XDBGBZBQMPSQIP-AWEZNQCLSA-N 1 1 278.396 2.315 20 10 CECDMO CO[C@@]1(CO)CCC[N@@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000826952049 636170253 /nfs/dbraw/zinc/17/02/53/636170253.db2.gz FNNRKXFUQRKJNP-HNNXBMFYSA-N 1 1 299.798 2.327 20 10 CECDMO CN(C)c1ccc(C[N@H+]2C[C@H]3COC[C@@]3(C)C2)cc1F ZINC000827279941 636278383 /nfs/dbraw/zinc/27/83/83/636278383.db2.gz CAHGDDRLCWWXEV-XJKSGUPXSA-N 1 1 278.371 2.360 20 10 CECDMO CCOc1cccc(C[N@@H+](C)C2(CO)CCC2)c1O ZINC000827903812 636456880 /nfs/dbraw/zinc/45/68/80/636456880.db2.gz PTJLRXMGBCYGBH-UHFFFAOYSA-N 1 1 265.353 2.138 20 10 CECDMO CCCC[N@H+](Cc1ccccc1O)C[C@@H](C)S(C)(=O)=O ZINC000829516038 636873333 /nfs/dbraw/zinc/87/33/33/636873333.db2.gz NWQXABANFLXEIE-CYBMUJFWSA-N 1 1 299.436 2.427 20 10 CECDMO [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2c([O-])cccc2Cl)C1 ZINC000841084975 637257001 /nfs/dbraw/zinc/25/70/01/637257001.db2.gz RCQLMGGVADRJTK-ZJUUUORDSA-N 1 1 254.761 2.263 20 10 CECDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)c1c(F)ccc(O)c1O ZINC000832274380 637531263 /nfs/dbraw/zinc/53/12/63/637531263.db2.gz ZHCIQDASRBHPLL-JTQLQIEISA-N 1 1 298.358 2.087 20 10 CECDMO CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2c(C)cccc2O)C1 ZINC000876580114 650344631 /nfs/dbraw/zinc/34/46/31/650344631.db2.gz GBADWPSKJFVLDK-CYBMUJFWSA-N 1 1 292.379 2.411 20 10 CECDMO CN(C)c1ccc(/C=C\C[N@@H+]2CCCC[C@@H]2C(N)=O)cc1 ZINC000835025336 638028911 /nfs/dbraw/zinc/02/89/11/638028911.db2.gz IFEPDFICNVNFII-OGZRUICASA-N 1 1 287.407 2.106 20 10 CECDMO CN(C)c1ccc(/C=C\C[N@H+]2CCCC[C@@H]2C(N)=O)cc1 ZINC000835025336 638028916 /nfs/dbraw/zinc/02/89/16/638028916.db2.gz IFEPDFICNVNFII-OGZRUICASA-N 1 1 287.407 2.106 20 10 CECDMO CCn1cnnc1C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835036245 638032811 /nfs/dbraw/zinc/03/28/11/638032811.db2.gz PCFUBUFQCKGQHM-AATRIKPKSA-N 1 1 285.395 2.167 20 10 CECDMO CN(C)c1ccc(/C=C/C[N@H+]2CC[C@@](O)(C(F)F)C2)cc1 ZINC000835053106 638040625 /nfs/dbraw/zinc/04/06/25/638040625.db2.gz BCQIUEOFUJYESF-CWDCEQMOSA-N 1 1 296.361 2.468 20 10 CECDMO COc1cc(C)cc(C[N@@H+](C)C[C@H]2CCCO2)c1O ZINC000164355355 639364696 /nfs/dbraw/zinc/36/46/96/639364696.db2.gz JXVWGNWRGGWTCX-CYBMUJFWSA-N 1 1 265.353 2.320 20 10 CECDMO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H](C)C[C@H]1C(N)=O ZINC000840939076 639592991 /nfs/dbraw/zinc/59/29/91/639592991.db2.gz KFBUKRQVGVKLLK-WBMJQRKESA-N 1 1 289.423 2.147 20 10 CECDMO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[S@](=O)C[C@@H](C)C1 ZINC000840942152 639595449 /nfs/dbraw/zinc/59/54/49/639595449.db2.gz UHXDWIIHMMMAFR-RBZFPXEDSA-N 1 1 294.464 2.261 20 10 CECDMO Cc1cc(N(C)C)ccc1C[N@H+]1CC[S@](=O)C[C@@H](C)C1 ZINC000840942152 639595454 /nfs/dbraw/zinc/59/54/54/639595454.db2.gz UHXDWIIHMMMAFR-RBZFPXEDSA-N 1 1 294.464 2.261 20 10 CECDMO COc1ccc(C[NH2+][C@@H](CN)CC(C)C)cc1C ZINC000841037649 639628556 /nfs/dbraw/zinc/62/85/56/639628556.db2.gz BXUNBNFGLCRBRH-CQSZACIVSA-N 1 1 250.386 2.467 20 10 CECDMO CCN(CC)c1ccc(CNCCC[NH2+]C)cc1F ZINC000841043618 639630918 /nfs/dbraw/zinc/63/09/18/639630918.db2.gz YCOIKUPJLKZLHW-UHFFFAOYSA-N 1 1 267.392 2.371 20 10 CECDMO Cc1cc(N(C)C)ccc1CN[C@H]1CC[NH2+][C@@H](C)C1 ZINC000841062536 639637827 /nfs/dbraw/zinc/63/78/27/639637827.db2.gz MQVXTKATEMGYLI-ZFWWWQNUSA-N 1 1 261.413 2.291 20 10 CECDMO Cc1cc(N(C)C)ccc1CN[C@H]1CC[NH2+]C[C@@H]1C ZINC000841064640 639639161 /nfs/dbraw/zinc/63/91/61/639639161.db2.gz RQXMBGDGNGCNPK-BBRMVZONSA-N 1 1 261.413 2.149 20 10 CECDMO COc1ccc(CN[C@H]2CC[NH2+]CC2(C)C)cc1C ZINC000841073667 639643613 /nfs/dbraw/zinc/64/36/13/639643613.db2.gz VVRYXEOPIYJGIH-HNNXBMFYSA-N 1 1 262.397 2.481 20 10 CECDMO CC1(C)[NH2+]CC[C@@H]1NCc1cc(Cl)cc(F)c1O ZINC000841085582 639651785 /nfs/dbraw/zinc/65/17/85/639651785.db2.gz HNUAQTUOUOOWKH-NSHDSACASA-N 1 1 272.751 2.415 20 10 CECDMO COc1ccc(C[NH2+][C@H](CN)C(C)(C)C)cc1C ZINC000841087329 639652395 /nfs/dbraw/zinc/65/23/95/639652395.db2.gz JWJYECRKPUHHGQ-CQSZACIVSA-N 1 1 250.386 2.467 20 10 CECDMO CN(C)c1ccc(/C=C\C[N@H+]2CCC[C@@H](O)C2)cc1 ZINC000229474851 639702851 /nfs/dbraw/zinc/70/28/51/639702851.db2.gz PMTNCRHDKNOHNZ-OICCZTGUSA-N 1 1 260.381 2.223 20 10 CECDMO C[C@@H]([NH2+][C@H]1CCN(C2CC2)C1)c1ccc(F)cc1O ZINC000062748346 639783596 /nfs/dbraw/zinc/78/35/96/639783596.db2.gz JNJXXXNIAKGKPL-PWSUYJOCSA-N 1 1 264.344 2.419 20 10 CECDMO CC(=O)NCCC[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841744216 639855434 /nfs/dbraw/zinc/85/54/34/639855434.db2.gz MWEVGTTZFHEODS-SECBINFHSA-N 1 1 270.760 2.222 20 10 CECDMO COCCCC[N@@H+](C)Cc1c(O)cccc1OC ZINC000841893223 639901570 /nfs/dbraw/zinc/90/15/70/639901570.db2.gz BWRSVSCINANUBD-UHFFFAOYSA-N 1 1 253.342 2.259 20 10 CECDMO C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000843045247 640251261 /nfs/dbraw/zinc/25/12/61/640251261.db2.gz SNGYTCRIZDQYJS-LLVKDONJSA-N 1 1 268.788 2.477 20 10 CECDMO C[C@@H]1CN(Cc2cccc(Cl)c2O)C[C@H](C)[NH2+]1 ZINC000843049381 640253855 /nfs/dbraw/zinc/25/38/55/640253855.db2.gz MOBILTUDXAGZNC-AOOOYVTPSA-N 1 1 254.761 2.228 20 10 CECDMO Cc1ccc(C[NH2+][C@@H]2CCc3cn[nH]c3C2)c(O)c1 ZINC000877084855 650565459 /nfs/dbraw/zinc/56/54/59/650565459.db2.gz ONJSRBJDMMNNQM-CYBMUJFWSA-N 1 1 257.337 2.071 20 10 CECDMO C[C@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])CC[C@@H]1[NH3+] ZINC000843052026 640255358 /nfs/dbraw/zinc/25/53/58/640255358.db2.gz OROTUMJYBITVGJ-CABZTGNLSA-N 1 1 254.761 2.215 20 10 CECDMO C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000843056880 640259972 /nfs/dbraw/zinc/25/99/72/640259972.db2.gz BIJRZTCMVKMMQT-IUCAKERBSA-N 1 1 272.751 2.354 20 10 CECDMO Cc1cc(N(C)C)ccc1C[N@H+]1[C@H](C)CNC[C@@H]1C ZINC000843066695 640265846 /nfs/dbraw/zinc/26/58/46/640265846.db2.gz FCMWRMYTZBQUKC-OKILXGFUSA-N 1 1 261.413 2.243 20 10 CECDMO Cc1cc(N(C)C)ccc1C[N@@H+]1[C@H](C)CNC[C@@H]1C ZINC000843066695 640265850 /nfs/dbraw/zinc/26/58/50/640265850.db2.gz FCMWRMYTZBQUKC-OKILXGFUSA-N 1 1 261.413 2.243 20 10 CECDMO C[C@@H]1C[NH2+][C@@H](C)CN1Cc1cc(Cl)cc(F)c1O ZINC000843119947 640289646 /nfs/dbraw/zinc/28/96/46/640289646.db2.gz QBYKJINNIZLXOJ-DTWKUNHWSA-N 1 1 272.751 2.367 20 10 CECDMO C[C@@]1(F)C[NH2+]CCN(Cc2cc(Cl)cc(F)c2O)C1 ZINC000843125624 640291670 /nfs/dbraw/zinc/29/16/70/640291670.db2.gz ZFCBDWFUULXEQC-CYBMUJFWSA-N 1 1 290.741 2.318 20 10 CECDMO Oc1ccc(F)cc1C[N@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000843414774 640419051 /nfs/dbraw/zinc/41/90/51/640419051.db2.gz MPZANZJVLJWCCK-CYBMUJFWSA-N 1 1 288.326 2.008 20 10 CECDMO COc1cc(O)c(C[N@H+]2CCC[C@@H]2C(C)(C)O)cc1OC ZINC000154419686 640892216 /nfs/dbraw/zinc/89/22/16/640892216.db2.gz IUDRXFYHFCUNIM-OAHLLOKOSA-N 1 1 295.379 2.145 20 10 CECDMO C[C@H](CCO)[N@@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC000846110603 641185921 /nfs/dbraw/zinc/18/59/21/641185921.db2.gz IVVXOVKCSBEUMF-GEXIGZQTSA-N 1 1 262.397 2.469 20 10 CECDMO Cc1cccc(C[N@H+]2CC(C)(C)O[C@@H]3COC[C@H]32)c1O ZINC000846117773 641191089 /nfs/dbraw/zinc/19/10/89/641191089.db2.gz GQOFULKHIWEQRE-ZIAGYGMSSA-N 1 1 277.364 2.079 20 10 CECDMO CCOc1ccc(O)c(CN2CC[C@H]([NH3+])C[C@@H]2C)c1 ZINC000846698514 641400566 /nfs/dbraw/zinc/40/05/66/641400566.db2.gz IHEOOZHPALTUAG-AAEUAGOBSA-N 1 1 264.369 2.103 20 10 CECDMO C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000846705017 641403008 /nfs/dbraw/zinc/40/30/08/641403008.db2.gz WZOWGWHRAWIQKN-MWLCHTKSSA-N 1 1 254.761 2.357 20 10 CECDMO CCN(C)c1ccc(C[N@@H+](C)[C@H]2CCC(=O)N(C)C2)cc1 ZINC000846921292 641484558 /nfs/dbraw/zinc/48/45/58/641484558.db2.gz RRLJIWISUIVMQL-INIZCTEOSA-N 1 1 289.423 2.195 20 10 CECDMO C[C@@H]1CC[N@@H+](CC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000848242374 641932743 /nfs/dbraw/zinc/93/27/43/641932743.db2.gz DLSXFBIJAXYXAX-SNVBAGLBSA-N 1 1 282.771 2.004 20 10 CECDMO CN(C)c1ccc(CNCCC[NH+]2CCC2)cc1F ZINC000848546046 642046476 /nfs/dbraw/zinc/04/64/76/642046476.db2.gz QHEALEJBWYHOBO-UHFFFAOYSA-N 1 1 265.376 2.077 20 10 CECDMO Nc1ccc(NC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000848594375 642072243 /nfs/dbraw/zinc/07/22/43/642072243.db2.gz JZRLPTXAOKWIOV-HUUCEWRRSA-N 1 1 288.395 2.407 20 10 CECDMO Cc1ccc(O)c(C[N@H+]2CCSC[C@@H]2CCO)c1 ZINC000770305939 642154434 /nfs/dbraw/zinc/15/44/34/642154434.db2.gz WUWKRBHVFLHWEB-ZDUSSCGKSA-N 1 1 267.394 2.000 20 10 CECDMO CCc1cccc(C[N@H+]2C[C@H](C(N)=O)CC[C@@H]2C)c1O ZINC000848881218 642168555 /nfs/dbraw/zinc/16/85/55/642168555.db2.gz LZQLKBTWZJPJGU-SMDDNHRTSA-N 1 1 276.380 2.040 20 10 CECDMO CCc1cccc(C[N@@H+]2CCN(C(C)C)C(=O)C2)c1O ZINC000848902224 642180243 /nfs/dbraw/zinc/18/02/43/642180243.db2.gz MENITLKDZUKRLS-UHFFFAOYSA-N 1 1 276.380 2.007 20 10 CECDMO CCc1cccc(C[N@H+]2CCN(C(C)C)C(=O)C2)c1O ZINC000848902224 642180247 /nfs/dbraw/zinc/18/02/47/642180247.db2.gz MENITLKDZUKRLS-UHFFFAOYSA-N 1 1 276.380 2.007 20 10 CECDMO CCc1cccc(C[N@H+]2CCN(C)[C@@H](C)[C@H]2C)c1O ZINC000848904440 642181427 /nfs/dbraw/zinc/18/14/27/642181427.db2.gz UBYXPMVYOVFWEM-QWHCGFSZSA-N 1 1 262.397 2.479 20 10 CECDMO CCc1cccc(CN2CC[N@H+](C)[C@@H](C)[C@H]2C)c1O ZINC000848904440 642181432 /nfs/dbraw/zinc/18/14/32/642181432.db2.gz UBYXPMVYOVFWEM-QWHCGFSZSA-N 1 1 262.397 2.479 20 10 CECDMO CCc1cccc(CN2CC[N@@H+](C)[C@@H](C)[C@H]2C)c1O ZINC000848904440 642181436 /nfs/dbraw/zinc/18/14/36/642181436.db2.gz UBYXPMVYOVFWEM-QWHCGFSZSA-N 1 1 262.397 2.479 20 10 CECDMO CCc1cccc(C[N@H+]2CCN(C)[C@H](C)[C@@H]2C)c1O ZINC000848904439 642182003 /nfs/dbraw/zinc/18/20/03/642182003.db2.gz UBYXPMVYOVFWEM-OLZOCXBDSA-N 1 1 262.397 2.479 20 10 CECDMO CCc1cccc(CN2CC[N@H+](C)[C@H](C)[C@@H]2C)c1O ZINC000848904439 642182008 /nfs/dbraw/zinc/18/20/08/642182008.db2.gz UBYXPMVYOVFWEM-OLZOCXBDSA-N 1 1 262.397 2.479 20 10 CECDMO CCc1cccc(CN2CC[N@@H+](C)[C@H](C)[C@@H]2C)c1O ZINC000848904439 642182012 /nfs/dbraw/zinc/18/20/12/642182012.db2.gz UBYXPMVYOVFWEM-OLZOCXBDSA-N 1 1 262.397 2.479 20 10 CECDMO COc1ccc(N2CC[C@@H](NC[C@H]([NH3+])CC(C)C)C2)cc1 ZINC000849350319 642341039 /nfs/dbraw/zinc/34/10/39/642341039.db2.gz NPABNJXOCIWEJP-HUUCEWRRSA-N 1 1 291.439 2.237 20 10 CECDMO COc1ccc(N2CC[C@@H]([NH2+]C[C@H](N)CC(C)C)C2)cc1 ZINC000849350319 642341042 /nfs/dbraw/zinc/34/10/42/642341042.db2.gz NPABNJXOCIWEJP-HUUCEWRRSA-N 1 1 291.439 2.237 20 10 CECDMO Cc1cc(Br)c(O)c(C[NH2+]C[C@@H]2CCN2C)c1 ZINC000922575982 643135435 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CCOC(=O)[C@@H](C)[C@H](C)[NH2+]Cc1cc(F)cc(F)c1O ZINC000894454712 629468479 /nfs/dbraw/zinc/46/84/79/629468479.db2.gz VGLZTTZSXDSPRM-IUCAKERBSA-N 1 1 287.306 2.348 20 10 CECDMO CC[C@]1(O)CC[N@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000894504603 629500531 /nfs/dbraw/zinc/50/05/31/629500531.db2.gz PWGPPTOZJAVJRH-ZDUSSCGKSA-N 1 1 257.280 2.017 20 10 CECDMO CC[C@]1(O)CC[N@@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000894504603 629500537 /nfs/dbraw/zinc/50/05/37/629500537.db2.gz PWGPPTOZJAVJRH-ZDUSSCGKSA-N 1 1 257.280 2.017 20 10 CECDMO CCOc1ccc(O)c(C[NH2+][C@H](C)c2nnc(C)[nH]2)c1 ZINC000894771417 629625841 /nfs/dbraw/zinc/62/58/41/629625841.db2.gz IJSZORDIGSPGQF-SECBINFHSA-N 1 1 276.340 2.068 20 10 CECDMO Cc1nnc([C@@H]2CC[N@H+](Cc3ccc(N(C)C)cc3C)C2)[nH]1 ZINC000895012961 629796103 /nfs/dbraw/zinc/79/61/03/629796103.db2.gz QEIOIPLNPOHANV-OAHLLOKOSA-N 1 1 299.422 2.477 20 10 CECDMO Cc1n[nH]c([C@@H]2CC[N@@H+](Cc3ccc(N(C)C)cc3C)C2)n1 ZINC000895012961 629796106 /nfs/dbraw/zinc/79/61/06/629796106.db2.gz QEIOIPLNPOHANV-OAHLLOKOSA-N 1 1 299.422 2.477 20 10 CECDMO Cc1n[nH]c([C@@H]2CC[N@H+](Cc3ccc(N(C)C)cc3C)C2)n1 ZINC000895012961 629796108 /nfs/dbraw/zinc/79/61/08/629796108.db2.gz QEIOIPLNPOHANV-OAHLLOKOSA-N 1 1 299.422 2.477 20 10 CECDMO Cc1nc([C@@H]2CC[N@@H+](Cc3ccc(N(C)C)cc3C)C2)n[nH]1 ZINC000895012961 629796115 /nfs/dbraw/zinc/79/61/15/629796115.db2.gz QEIOIPLNPOHANV-OAHLLOKOSA-N 1 1 299.422 2.477 20 10 CECDMO Cc1nc([C@@H]2CC[N@H+](Cc3ccc(N(C)C)cc3C)C2)n[nH]1 ZINC000895012961 629796121 /nfs/dbraw/zinc/79/61/21/629796121.db2.gz QEIOIPLNPOHANV-OAHLLOKOSA-N 1 1 299.422 2.477 20 10 CECDMO COc1ccc(C[N@H+]2CC[C@@H](OC(C)C)C2)c(O)c1OC ZINC000895083655 629872959 /nfs/dbraw/zinc/87/29/59/629872959.db2.gz VZJOVVXAQLSECJ-CYBMUJFWSA-N 1 1 295.379 2.409 20 10 CECDMO C[C@H]1CC[N@H+](Cc2cc(F)cc(F)c2O)C[C@H]1CO ZINC000895380534 630147725 /nfs/dbraw/zinc/14/77/25/630147725.db2.gz ZGHYPYHGHLVFFM-ONGXEEELSA-N 1 1 271.307 2.121 20 10 CECDMO C[C@H]1CC[N@@H+](Cc2cc(F)cc(F)c2O)C[C@H]1CO ZINC000895380534 630147729 /nfs/dbraw/zinc/14/77/29/630147729.db2.gz ZGHYPYHGHLVFFM-ONGXEEELSA-N 1 1 271.307 2.121 20 10 CECDMO CC1([NH+]2CCC2)CCN(Cc2ccccc2O)CC1 ZINC000895671055 630300912 /nfs/dbraw/zinc/30/09/12/630300912.db2.gz MQFPKHFXMSJPEU-UHFFFAOYSA-N 1 1 260.381 2.452 20 10 CECDMO COc1ccc(O)c(C[N@H+]2C[C@@H]3CSC[C@@H]3C2)c1 ZINC000895779187 630342496 /nfs/dbraw/zinc/34/24/96/630342496.db2.gz NBMYBUDJJCLDOJ-TXEJJXNPSA-N 1 1 265.378 2.196 20 10 CECDMO CN(C)c1ccc(C[N@H+]2CC[C@H](C3OCCO3)C2)cc1F ZINC000896385312 630548828 /nfs/dbraw/zinc/54/88/28/630548828.db2.gz QTVGNZGRLMKGDU-ZDUSSCGKSA-N 1 1 294.370 2.087 20 10 CECDMO C[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1cn(C)nn1 ZINC000902779237 634824109 /nfs/dbraw/zinc/82/41/09/634824109.db2.gz PCKSRHORZOQXBU-LBPRGKRZSA-N 1 1 285.395 2.048 20 10 CECDMO COC[C@@H](CC1CCOCC1)[NH2+]Cc1c(O)cccc1F ZINC000896637669 630620479 /nfs/dbraw/zinc/62/04/79/630620479.db2.gz LGBIRNBILUHYHB-CYBMUJFWSA-N 1 1 297.370 2.453 20 10 CECDMO COc1ncc(C[NH2+]Cc2c(O)cccc2F)s1 ZINC000896637934 630621594 /nfs/dbraw/zinc/62/15/94/630621594.db2.gz MDPXJTCZKRQDBM-UHFFFAOYSA-N 1 1 268.313 2.286 20 10 CECDMO CCc1ncc(C[NH2+]Cc2c(O)cccc2F)cn1 ZINC000896639594 630622407 /nfs/dbraw/zinc/62/24/07/630622407.db2.gz WWXPRLGYAAIXHX-UHFFFAOYSA-N 1 1 261.300 2.174 20 10 CECDMO CC[N@@H+](CCC(N)=O)Cc1c(O)cc(C)cc1Cl ZINC000896709352 630646165 /nfs/dbraw/zinc/64/61/65/630646165.db2.gz CTHAYADVLPOEGM-UHFFFAOYSA-N 1 1 270.760 2.051 20 10 CECDMO COCCO[C@@H]1CCC[N@@H+](Cc2cc(OC)ccc2O)C1 ZINC000802652120 631440251 /nfs/dbraw/zinc/44/02/51/631440251.db2.gz LZFPZMPOMFYFEP-OAHLLOKOSA-N 1 1 295.379 2.028 20 10 CECDMO C[C@H](NC(=O)NCC[N@H+]1CC[C@H](C)C1)c1ccccc1O ZINC000897468880 631534020 /nfs/dbraw/zinc/53/40/20/631534020.db2.gz ASBMYYCYSBDKGR-STQMWFEESA-N 1 1 291.395 2.094 20 10 CECDMO CC[C@@H]1CN(C)CC[N@H+]1Cc1cc2c(cc1O)CCC2 ZINC000840094764 631840723 /nfs/dbraw/zinc/84/07/23/631840723.db2.gz WFJFAKQMBQHIJM-MRXNPFEDSA-N 1 1 274.408 2.407 20 10 CECDMO CC[C@@H]1C[N@H+](C)CCN1Cc1cc2c(cc1O)CCC2 ZINC000840094764 631840729 /nfs/dbraw/zinc/84/07/29/631840729.db2.gz WFJFAKQMBQHIJM-MRXNPFEDSA-N 1 1 274.408 2.407 20 10 CECDMO CC[C@@H]1C[N@@H+](C)CCN1Cc1cc2c(cc1O)CCC2 ZINC000840094764 631840732 /nfs/dbraw/zinc/84/07/32/631840732.db2.gz WFJFAKQMBQHIJM-MRXNPFEDSA-N 1 1 274.408 2.407 20 10 CECDMO C[C@@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)C[C@@H]1O ZINC000897685589 631867957 /nfs/dbraw/zinc/86/79/57/631867957.db2.gz OPIFTRBYZGVTAF-PBHICJAKSA-N 1 1 274.408 2.490 20 10 CECDMO Cc1cc(O)c(C[N@@H+]2CCO[C@@H](CF)C2)cc1C ZINC000840171063 632079868 /nfs/dbraw/zinc/07/98/68/632079868.db2.gz FISKPDDZGGVHLP-ZDUSSCGKSA-N 1 1 253.317 2.179 20 10 CECDMO Cc1cc(O)c(C[N@H+]2CCO[C@@H](CF)C2)cc1C ZINC000840171063 632079871 /nfs/dbraw/zinc/07/98/71/632079871.db2.gz FISKPDDZGGVHLP-ZDUSSCGKSA-N 1 1 253.317 2.179 20 10 CECDMO COc1cc(O)c(C[N@@H+](C)[C@H]2CCCOC2)cc1OC ZINC000809692705 632128152 /nfs/dbraw/zinc/12/81/52/632128152.db2.gz FCUXEPPGVOSWMI-LBPRGKRZSA-N 1 1 281.352 2.020 20 10 CECDMO COc1cccc(O)c1C[N@@H+](CCN(C)C)CC(C)C ZINC000809729818 632132397 /nfs/dbraw/zinc/13/23/97/632132397.db2.gz OPPCJCOOLPNXGX-UHFFFAOYSA-N 1 1 280.412 2.420 20 10 CECDMO COc1cccc(O)c1CN(CC[NH+](C)C)CC(C)C ZINC000809729818 632132399 /nfs/dbraw/zinc/13/23/99/632132399.db2.gz OPPCJCOOLPNXGX-UHFFFAOYSA-N 1 1 280.412 2.420 20 10 CECDMO CC[C@H]1C(=O)NCCC[N@@H+]1Cc1ccc(N(C)C)cc1C ZINC000898559036 632538113 /nfs/dbraw/zinc/53/81/13/632538113.db2.gz FVOGRXDLOUVIJO-INIZCTEOSA-N 1 1 289.423 2.162 20 10 CECDMO OC[C@H]1C[N@@H+](Cc2cc(Cl)ccc2O)CCC1(F)F ZINC000812775024 632575433 /nfs/dbraw/zinc/57/54/33/632575433.db2.gz CLGDLQIVPRKZRR-SNVBAGLBSA-N 1 1 291.725 2.495 20 10 CECDMO COc1cccc(O)c1C[N@H+]1CC[C@H](n2cccn2)C1 ZINC000812780854 632576870 /nfs/dbraw/zinc/57/68/70/632576870.db2.gz VPYJZXVBZHFQLQ-LBPRGKRZSA-N 1 1 273.336 2.044 20 10 CECDMO COc1cc(Cl)cc(CN2CC[C@H]3C[N@@H+](C)C[C@@H]32)c1O ZINC000814172893 632797838 /nfs/dbraw/zinc/79/78/38/632797838.db2.gz CTZLYCAHPNIHJV-GWCFXTLKSA-N 1 1 296.798 2.190 20 10 CECDMO C[N@H+]1C[C@H]2[C@@H](CCN2Cc2c(O)ccc(Cl)c2F)C1 ZINC000814173942 632801301 /nfs/dbraw/zinc/80/13/01/632801301.db2.gz TVURJFXIDPQTCX-CABZTGNLSA-N 1 1 284.762 2.321 20 10 CECDMO C[N@@H+]1C[C@H]2[C@@H](CCN2Cc2c(O)ccc(Cl)c2F)C1 ZINC000814173942 632801304 /nfs/dbraw/zinc/80/13/04/632801304.db2.gz TVURJFXIDPQTCX-CABZTGNLSA-N 1 1 284.762 2.321 20 10 CECDMO CCOc1ccc(C[N@H+](C)[C@@H]2CC(C)(C)OC2=O)c(O)c1 ZINC000814181130 632802255 /nfs/dbraw/zinc/80/22/55/632802255.db2.gz WBLIKEDTRAOJMX-CYBMUJFWSA-N 1 1 293.363 2.317 20 10 CECDMO CCOc1ccc(C[N@@H+](C)[C@@H]2CC(C)(C)OC2=O)c(O)c1 ZINC000814181130 632802259 /nfs/dbraw/zinc/80/22/59/632802259.db2.gz WBLIKEDTRAOJMX-CYBMUJFWSA-N 1 1 293.363 2.317 20 10 CECDMO CC(C)[C@@H](O)C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816550083 633410784 /nfs/dbraw/zinc/41/07/84/633410784.db2.gz HZNLQVOULUIEMU-LBPRGKRZSA-N 1 1 261.724 2.291 20 10 CECDMO C[C@](O)(C[NH2+]Cc1cc(Cl)c(F)cc1O)C1CC1 ZINC000816549841 633411420 /nfs/dbraw/zinc/41/14/20/633411420.db2.gz ZWJFYVKPVOAXIN-ZDUSSCGKSA-N 1 1 273.735 2.435 20 10 CECDMO OCC1(C[NH2+]Cc2cc(Cl)c(F)cc2O)CCC1 ZINC000816567495 633413869 /nfs/dbraw/zinc/41/38/69/633413869.db2.gz CDABIYOQJGUTCD-UHFFFAOYSA-N 1 1 273.735 2.437 20 10 CECDMO C[C@@H]([NH2+]CC[NH3+])c1cc(Br)cc(Cl)c1[O-] ZINC000817934984 633787854 /nfs/dbraw/zinc/78/78/54/633787854.db2.gz RZJUZTGLYHQTMY-ZCFIWIBFSA-N 1 1 293.592 2.417 20 10 CECDMO C[C@H]1C[C@@H](NCC(C)(C)[NH3+])c2c1c(F)ccc2O ZINC000817960279 633802463 /nfs/dbraw/zinc/80/24/63/633802463.db2.gz LNJFZNVVJKFKTE-WCBMZHEXSA-N 1 1 252.333 2.407 20 10 CECDMO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CNCC[C@H]2C)c1 ZINC000817968998 633812219 /nfs/dbraw/zinc/81/22/19/633812219.db2.gz OVLWZZJZJJKZPK-SUNKGSAMSA-N 1 1 264.369 2.049 20 10 CECDMO C[C@@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cc(Br)ccc1O ZINC000817977859 633821764 /nfs/dbraw/zinc/82/17/64/633821764.db2.gz QTOTUGNFDGUUPP-XDRUHAPNSA-N 1 1 297.196 2.023 20 10 CECDMO CCn1nc(C)c(C[NH2+]Cc2cc(Cl)ccc2O)n1 ZINC000818221678 633887772 /nfs/dbraw/zinc/88/77/72/633887772.db2.gz SBNCTSHHWFYVBE-UHFFFAOYSA-N 1 1 280.759 2.255 20 10 CECDMO COc1ccc(N(C)Cc2c[nH+]c(N(C)C)n2C)cc1F ZINC000822469596 634925745 /nfs/dbraw/zinc/92/57/45/634925745.db2.gz AQLOVFUNNZFSPY-UHFFFAOYSA-N 1 1 292.358 2.270 20 10 CECDMO CCOc1cccc(CN2CCC[C@H]3C[N@@H+](C)C[C@H]32)c1O ZINC000822521312 634936361 /nfs/dbraw/zinc/93/63/61/634936361.db2.gz ZYODXEQSAQXPFZ-DZGCQCFKSA-N 1 1 290.407 2.317 20 10 CECDMO CCOc1cccc(C[N@@H+]2CCC[C@H]3CN(C)C[C@H]32)c1O ZINC000822521312 634936363 /nfs/dbraw/zinc/93/63/63/634936363.db2.gz ZYODXEQSAQXPFZ-DZGCQCFKSA-N 1 1 290.407 2.317 20 10 CECDMO CCOc1cccc(C[N@H+]2CCC[C@H]3CN(C)C[C@H]32)c1O ZINC000822521312 634936366 /nfs/dbraw/zinc/93/63/66/634936366.db2.gz ZYODXEQSAQXPFZ-DZGCQCFKSA-N 1 1 290.407 2.317 20 10 CECDMO COc1c(O)c(C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000822539931 634939574 /nfs/dbraw/zinc/93/95/74/634939574.db2.gz QZXPXKRGILBLLO-JGPRNRPPSA-N 1 1 278.308 2.197 20 10 CECDMO Cc1cccc(C[NH2+]C[C@@H]2CNCCC2(F)F)c1O ZINC000903954873 635389279 /nfs/dbraw/zinc/38/92/79/635389279.db2.gz HMRHYKRBMXCORS-LBPRGKRZSA-N 1 1 270.323 2.035 20 10 CECDMO [NH3+][C@@H]1CN(Cc2cccc(Cl)c2O)C[C@H]1C(F)(F)F ZINC000903982157 635396821 /nfs/dbraw/zinc/39/68/21/635396821.db2.gz MDDCUPDIGPMWGG-PSASIEDQSA-N 1 1 294.704 2.367 20 10 CECDMO Oc1ccc(Cl)cc1C[N@H+](C1CC1)C1COC1 ZINC000824472320 635434164 /nfs/dbraw/zinc/43/41/64/635434164.db2.gz PTWOYYRYOYXCMC-UHFFFAOYSA-N 1 1 253.729 2.409 20 10 CECDMO Oc1ccc(Cl)cc1C[N@@H+](C1CC1)C1COC1 ZINC000824472320 635434166 /nfs/dbraw/zinc/43/41/66/635434166.db2.gz PTWOYYRYOYXCMC-UHFFFAOYSA-N 1 1 253.729 2.409 20 10 CECDMO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)c(C)cc1O ZINC000824560983 635451884 /nfs/dbraw/zinc/45/18/84/635451884.db2.gz NSQFUWVIFRKDLZ-ZDUSSCGKSA-N 1 1 296.798 2.455 20 10 CECDMO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1cc(Cl)c(C)cc1O ZINC000824560983 635451888 /nfs/dbraw/zinc/45/18/88/635451888.db2.gz NSQFUWVIFRKDLZ-ZDUSSCGKSA-N 1 1 296.798 2.455 20 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2.268 20 10 CECDMO Oc1cc(F)c(Cl)cc1C[N@@H+]1CCC2(COC2)C1 ZINC000827646056 636375200 /nfs/dbraw/zinc/37/52/00/636375200.db2.gz YVJVOSYKDYCLMR-UHFFFAOYSA-N 1 1 271.719 2.407 20 10 CECDMO Oc1cc(F)c(Cl)cc1C[N@H+]1CCC2(COC2)C1 ZINC000827646056 636375207 /nfs/dbraw/zinc/37/52/07/636375207.db2.gz YVJVOSYKDYCLMR-UHFFFAOYSA-N 1 1 271.719 2.407 20 10 CECDMO CCc1cccc(C[N@H+]2C[C@@H](C)[C@@](C)(CO)C2)c1O ZINC000827692273 636392849 /nfs/dbraw/zinc/39/28/49/636392849.db2.gz HDBRHZKIJXUARZ-MLGOLLRUSA-N 1 1 263.381 2.405 20 10 CECDMO COc1cc(C[N@H+]2CCO[C@@H](C)CC2)c(O)cc1C ZINC000905743624 636429608 /nfs/dbraw/zinc/42/96/08/636429608.db2.gz XKWKAMDGAOPANJ-LBPRGKRZSA-N 1 1 265.353 2.320 20 10 CECDMO CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)c1ccccc1O ZINC000827930890 636462563 /nfs/dbraw/zinc/46/25/63/636462563.db2.gz TUHZYIGPAYGJJU-OCCSQVGLSA-N 1 1 276.380 2.444 20 10 CECDMO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cn(C3CC3)nn2)c1 ZINC000906287519 636687777 /nfs/dbraw/zinc/68/77/77/636687777.db2.gz 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/nfs/dbraw/zinc/55/11/26/639551126.db2.gz GORHWXPCSBIHCA-LLVKDONJSA-N 1 1 258.321 2.161 20 10 CECDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCSC[C@@H]1CCO ZINC000840919835 639585632 /nfs/dbraw/zinc/58/56/32/639585632.db2.gz POBXYGJWLKMEEL-INIZCTEOSA-N 1 1 294.464 2.361 20 10 CECDMO CC[N@@H+](CCOCCO)Cc1c(O)cc(C)cc1Cl ZINC000840943140 639595093 /nfs/dbraw/zinc/59/50/93/639595093.db2.gz VPBVSNGBYFSJLV-UHFFFAOYSA-N 1 1 287.787 2.185 20 10 CECDMO Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@@H](O)C1(C)C ZINC000840948760 639598128 /nfs/dbraw/zinc/59/81/28/639598128.db2.gz XLYRZWCPXXIZSW-OAHLLOKOSA-N 1 1 262.397 2.406 20 10 CECDMO COC(=O)[C@@]1(C)CCC[N@H+](Cc2cccc(F)c2O)C1 ZINC000840974652 639606312 /nfs/dbraw/zinc/60/63/12/639606312.db2.gz DMZZFZCQPCVFPF-HNNXBMFYSA-N 1 1 281.327 2.306 20 10 CECDMO COC(=O)[C@@]1(C)CCC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000840974652 639606319 /nfs/dbraw/zinc/60/63/19/639606319.db2.gz DMZZFZCQPCVFPF-HNNXBMFYSA-N 1 1 281.327 2.306 20 10 CECDMO CCOc1ccc(C[N@H+]2CCC[C@@H](CO)[C@H]2C)c(O)c1 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DGJOYHYZWLGFQF-WDEREUQCSA-N 1 1 280.343 2.068 20 10 CECDMO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCCC1)c1cc(F)cc(F)c1O ZINC000798936242 630954585 /nfs/dbraw/zinc/95/45/85/630954585.db2.gz ANMJJBCBUXDUEK-ZJUUUORDSA-N 1 1 298.333 2.332 20 10 CECDMO CC[N@@H+](CCC[NH3+])Cc1cc(Br)ccc1O ZINC000221636266 631458366 /nfs/dbraw/zinc/45/83/66/631458366.db2.gz CPSUYXPRGRCFMV-UHFFFAOYSA-N 1 1 287.201 2.325 20 10 CECDMO CC[N@H+](CCC[NH3+])Cc1cc(Br)ccc1[O-] ZINC000221636266 631458369 /nfs/dbraw/zinc/45/83/69/631458369.db2.gz CPSUYXPRGRCFMV-UHFFFAOYSA-N 1 1 287.201 2.325 20 10 CECDMO CC[N@@H+](CCC[NH3+])Cc1cc(Br)ccc1[O-] ZINC000221636266 631458376 /nfs/dbraw/zinc/45/83/76/631458376.db2.gz CPSUYXPRGRCFMV-UHFFFAOYSA-N 1 1 287.201 2.325 20 10 CECDMO C[N@H+]1CCCC[C@H]1CCC(=O)NCc1ccccc1O ZINC000806717507 631768461 /nfs/dbraw/zinc/76/84/61/631768461.db2.gz IMLQAJXWAMGYLA-AWEZNQCLSA-N 1 1 276.380 2.273 20 10 CECDMO COc1ccc(CN[C@H](C)[C@@H]2CCC[NH2+]C2)cc1C ZINC000841032848 631821750 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C[C@@H](NC[C@H]1CCC[NH2+]1)c1cc(F)cc(F)c1O ZINC000817951452 633796144 /nfs/dbraw/zinc/79/61/44/633796144.db2.gz FWHSMABJBPFFFD-PSASIEDQSA-N 1 1 256.296 2.073 20 10 CECDMO CC[C@@H](NCC[NH2+]CCOC)c1cc(Cl)ccc1O ZINC000817965500 633806128 /nfs/dbraw/zinc/80/61/28/633806128.db2.gz VUUURQOGQICLMV-CYBMUJFWSA-N 1 1 286.803 2.322 20 10 CECDMO C[C@H]1C[C@H]([NH2+][C@H]2CCCNC2)c2c1c(F)ccc2O ZINC000817965957 633808352 /nfs/dbraw/zinc/80/83/52/633808352.db2.gz XMPJMWMKSLIYNG-NHCYSSNCSA-N 1 1 264.344 2.421 20 10 CECDMO CC[C@H]([NH2+]C[C@@H]1C[C@H](F)CN1)c1ccc(F)cc1O ZINC000817976995 633819819 /nfs/dbraw/zinc/81/98/19/633819819.db2.gz YVGNRGXNWRFMBT-GVXVVHGQSA-N 1 1 270.323 2.272 20 10 CECDMO CC[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cc(Cl)ccc1[O-] ZINC000817977155 633820140 /nfs/dbraw/zinc/82/01/40/633820140.db2.gz CRKANRWQITYMRB-CZXHOFHRSA-N 1 1 266.772 2.304 20 10 CECDMO CC[C@@H](NC[C@H]1C[NH2+]CCCO1)c1ccc(C)cc1O ZINC000817982468 633825315 /nfs/dbraw/zinc/82/53/15/633825315.db2.gz SSIJGZIHVRKEEZ-UKRRQHHQSA-N 1 1 278.396 2.120 20 10 CECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H]2CC23CC3)c1 ZINC000818355329 633915066 /nfs/dbraw/zinc/91/50/66/633915066.db2.gz CSTWBCINOIROIB-NOZJJQNGSA-N 1 1 261.321 2.382 20 10 CECDMO COCC(C)(C)[NH+]1CCN(Cc2cc(C)ccc2O)CC1 ZINC000822498011 634930594 /nfs/dbraw/zinc/93/05/94/634930594.db2.gz SJCRLGYWHYFZGC-UHFFFAOYSA-N 1 1 292.423 2.243 20 10 CECDMO CC[C@H](CN1CCOCC1)[NH2+][C@H](C)c1c(O)cccc1F ZINC000903338048 635067840 /nfs/dbraw/zinc/06/78/40/635067840.db2.gz BDPZICQONKUCSN-CHWSQXEVSA-N 1 1 296.386 2.293 20 10 CECDMO C[C@@H]([NH2+]CC[C@H](O)C1CC1)c1ccc(F)cc1O ZINC000903406596 635101441 /nfs/dbraw/zinc/10/14/41/635101441.db2.gz JZMIYCNIWHVLJF-RNCFNFMXSA-N 1 1 253.317 2.343 20 10 CECDMO COc1cccc(O)c1C[N@H+]1CCN(C2CC2)C[C@H](C)C1 ZINC000824446223 635429354 /nfs/dbraw/zinc/42/93/54/635429354.db2.gz TWUHQLVMNQXEKX-CYBMUJFWSA-N 1 1 290.407 2.317 20 10 CECDMO COc1cccc(O)c1CN1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000824446223 635429359 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C[C@@H]([NH2+]CC1(CO)CCOCC1)c1ccc(Cl)cc1O ZINC000841751598 639858562 /nfs/dbraw/zinc/85/85/62/639858562.db2.gz NXEOMLTZJMNRKD-LLVKDONJSA-N 1 1 299.798 2.485 20 10 CECDMO C[C@@H]([NH2+]C[C@@H]1CCCNC1=O)c1ccc(Cl)cc1O ZINC000841756481 639859703 /nfs/dbraw/zinc/85/97/03/639859703.db2.gz VYIFTPNUDPAEQX-ZJUUUORDSA-N 1 1 282.771 2.222 20 10 CECDMO [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCC2(COC2)C1 ZINC000827644671 639985932 /nfs/dbraw/zinc/98/59/32/639985932.db2.gz QHDUBTYCEHJNFS-UHFFFAOYSA-N 1 1 271.719 2.407 20 10 CECDMO COc1ccc(O)c(CN(C2CC2)C2CC[NH2+]CC2)c1 ZINC000843043832 640250070 /nfs/dbraw/zinc/25/00/70/640250070.db2.gz JRVVVVCBRSXZCU-UHFFFAOYSA-N 1 1 276.380 2.117 20 10 CECDMO [O-]c1c(F)cccc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000843046350 640251510 /nfs/dbraw/zinc/25/15/10/640251510.db2.gz XCUASCRFQZALRG-WFASDCNBSA-N 1 1 278.371 2.495 20 10 CECDMO COc1cccc(O)c1CN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000843045445 640251528 /nfs/dbraw/zinc/25/15/28/640251528.db2.gz QQGVDPCZHGIWMU-UKRRQHHQSA-N 1 1 290.407 2.365 20 10 CECDMO [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cccc(F)c3[O-])C[C@@H]21 ZINC000843059282 640261203 /nfs/dbraw/zinc/26/12/03/640261203.db2.gz JBZZVXGKYFFZAD-VHRBIJSZSA-N 1 1 264.344 2.091 20 10 CECDMO COc1cccc(O)c1C[N@H+]1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000843115719 640286094 /nfs/dbraw/zinc/28/60/94/640286094.db2.gz PYZRGOZWCYIPLM-GOEBONIOSA-N 1 1 298.386 2.328 20 10 CECDMO COc1cccc(O)c1C[N@@H+]1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000843115719 640286101 /nfs/dbraw/zinc/28/61/01/640286101.db2.gz PYZRGOZWCYIPLM-GOEBONIOSA-N 1 1 298.386 2.328 20 10 CECDMO C[C@@H](CNC(=O)Cc1ccc(N)cc1)[N@H+]1CCCC[C@H]1C ZINC000844171219 640623312 /nfs/dbraw/zinc/62/33/12/640623312.db2.gz HABVOROWJKVLDT-KGLIPLIRSA-N 1 1 289.423 2.190 20 10 CECDMO O=C1CC[C@@H](C[N@H+](Cc2ccccc2O)C2CCCC2)N1 ZINC000844295409 640662417 /nfs/dbraw/zinc/66/24/17/640662417.db2.gz AVTWCFPRUQEYCY-AWEZNQCLSA-N 1 1 288.391 2.415 20 10 CECDMO CCOCCC[N@@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844402086 640708360 /nfs/dbraw/zinc/70/83/60/640708360.db2.gz UMDCNEKFODAWKW-UHFFFAOYSA-N 1 1 280.412 2.490 20 10 CECDMO Cc1cc(C[N@H+](C)[C@@H](C)CCO)ccc1N(C)C ZINC000844451600 640732757 /nfs/dbraw/zinc/73/27/57/640732757.db2.gz SOZKVMTUNQFUEF-ZDUSSCGKSA-N 1 1 250.386 2.264 20 10 CECDMO COc1ccc2c(c1)CCCN2CCC[NH+]1CCOCC1 ZINC000919880277 641090892 /nfs/dbraw/zinc/09/08/92/641090892.db2.gz AFEYIKGSTXMINN-UHFFFAOYSA-N 1 1 290.407 2.170 20 10 CECDMO CCC[C@H]1CNCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000107092182 641756748 /nfs/dbraw/zinc/75/67/48/641756748.db2.gz ZADFMKOYODUUMG-INIZCTEOSA-N 1 1 261.413 2.327 20 10 CECDMO CCC[C@H]1CNCC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000107092182 641756752 /nfs/dbraw/zinc/75/67/52/641756752.db2.gz ZADFMKOYODUUMG-INIZCTEOSA-N 1 1 261.413 2.327 20 10 CECDMO C[C@@H](NC(=O)C[NH+]1CC(C)(C)C1)c1ccc(N(C)C)cc1 ZINC000847762032 641763580 /nfs/dbraw/zinc/76/35/80/641763580.db2.gz XGOUTINWAJGPNP-CYBMUJFWSA-N 1 1 289.423 2.272 20 10 CECDMO CC(C)COC[C@@H](O)C[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000185116974 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OC[C@H]1CC[C@@H]([NH2+]Cc2cc(F)cc(F)c2O)CC1 ZINC000883039302 652340446 /nfs/dbraw/zinc/34/04/46/652340446.db2.gz KGSQOJPCJCYLAS-WVSHTKLVSA-N 1 1 271.307 2.311 20 10 CECDMO OC[C@H](C[NH2+]Cc1cc(F)cc(F)c1O)CC1CC1 ZINC000883175522 652389440 /nfs/dbraw/zinc/38/94/40/652389440.db2.gz JDBZPPREKLCQCZ-JTQLQIEISA-N 1 1 271.307 2.169 20 10 CECDMO CCO[C@@]1(C)C[C@H]1[NH2+]Cc1cc(F)cc(F)c1O ZINC000883188524 652394078 /nfs/dbraw/zinc/39/40/78/652394078.db2.gz LNGGMOFMBLIGFO-YPMHNXCESA-N 1 1 257.280 2.328 20 10 CECDMO CCc1ccc(NCCc2cc(O)c(O)cc2O)[nH+]c1 ZINC001168005977 805661314 /nfs/dbraw/zinc/66/13/14/805661314.db2.gz QEAKBPYEHMKEAW-UHFFFAOYSA-N 1 1 274.320 2.415 20 10 CECDMO CCC[N@H+](CC(=O)OCC)Cc1ccc(OC)cc1O ZINC000092380562 803523581 /nfs/dbraw/zinc/52/35/81/803523581.db2.gz KFAYFJXYWDZVOP-UHFFFAOYSA-N 1 1 281.352 2.176 20 10 CECDMO CCC[N@@H+](CC(=O)OCC)Cc1ccc(OC)cc1O ZINC000092380562 803523587 /nfs/dbraw/zinc/52/35/87/803523587.db2.gz KFAYFJXYWDZVOP-UHFFFAOYSA-N 1 1 281.352 2.176 20 10 CECDMO COc1cc(O)c(C[N@H+]2CC[C@](C)(O)[C@H](C)C2)c(OC)c1 ZINC001141032001 803669415 /nfs/dbraw/zinc/66/94/15/803669415.db2.gz PUMMTBJSHACRII-BZNIZROVSA-N 1 1 295.379 2.002 20 10 CECDMO CN1CCOc2cc(C[N@@H+]3CCOCC34CCC4)ccc21 ZINC001141144002 803748416 /nfs/dbraw/zinc/74/84/16/803748416.db2.gz RZZRYMSCEWGQOF-UHFFFAOYSA-N 1 1 288.391 2.270 20 10 CECDMO CN1CCOc2cc(C[N@H+]3CCOCC34CCC4)ccc21 ZINC001141144002 803748425 /nfs/dbraw/zinc/74/84/25/803748425.db2.gz RZZRYMSCEWGQOF-UHFFFAOYSA-N 1 1 288.391 2.270 20 10 CECDMO C[C@H]1C[N@@H+](Cc2cc(O)ccc2O)CCC[C@@]1(C)O ZINC001141156691 803758594 /nfs/dbraw/zinc/75/85/94/803758594.db2.gz QTOKHTWGYLOMMY-XHDPSFHLSA-N 1 1 265.353 2.081 20 10 CECDMO C[C@@H]([NH2+]Cc1cc(Cl)ccc1O)c1nncn1C ZINC000037017392 814984264 /nfs/dbraw/zinc/98/42/64/814984264.db2.gz QXMGXZSKWQNYIU-MRVPVSSYSA-N 1 1 266.732 2.025 20 10 CECDMO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CC1(N)CCOCC1 ZINC001118960203 815058594 /nfs/dbraw/zinc/05/85/94/815058594.db2.gz WARHOBZGLOIZGV-CHWSQXEVSA-N 1 1 290.407 2.346 20 10 CECDMO COc1ccc(O)c([C@@H](C)[NH2+]Cc2n[nH]cc2C)c1 ZINC000716484106 815131718 /nfs/dbraw/zinc/13/17/18/815131718.db2.gz SLYFIRPSEYVFGU-SNVBAGLBSA-N 1 1 261.325 2.283 20 10 CECDMO C[C@@H]1[C@H](CO)CC[N@@H+]1Cc1cc(F)c(Cl)cc1O ZINC001237933671 808265332 /nfs/dbraw/zinc/26/53/32/808265332.db2.gz FURFXGICJUEVLT-BDAKNGLRSA-N 1 1 273.735 2.387 20 10 CECDMO C[C@@H]1[C@H](CO)CC[N@H+]1Cc1cc(F)c(Cl)cc1O ZINC001237933671 808265336 /nfs/dbraw/zinc/26/53/36/808265336.db2.gz FURFXGICJUEVLT-BDAKNGLRSA-N 1 1 273.735 2.387 20 10 CECDMO CC(C)(C)NC(=O)CC[NH2+]Cc1cc(F)cc(F)c1O ZINC000708394287 809928522 /nfs/dbraw/zinc/92/85/22/809928522.db2.gz VELLDKSIZAHJQA-UHFFFAOYSA-N 1 1 286.322 2.065 20 10 CECDMO CCC[NH+]1CCN(Cc2cc(F)cc(F)c2O)CC1 ZINC000708402216 809930056 /nfs/dbraw/zinc/93/00/56/809930056.db2.gz VTDADACKVUIHHW-UHFFFAOYSA-N 1 1 270.323 2.198 20 10 CECDMO CC[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)C(C)(C)O ZINC000708505016 809943839 /nfs/dbraw/zinc/94/38/39/809943839.db2.gz WMSXTIBLGRNAQC-LLVKDONJSA-N 1 1 259.296 2.310 20 10 CECDMO C[C@H](CC(C)(C)O)[NH2+]Cc1cc(F)cc(F)c1O ZINC000708498013 809944407 /nfs/dbraw/zinc/94/44/07/809944407.db2.gz WKDAVYTUSREZGZ-MRVPVSSYSA-N 1 1 259.296 2.310 20 10 CECDMO OCC1([NH2+]Cc2cc(F)cc(F)c2O)CCCCC1 ZINC000708501806 809943664 /nfs/dbraw/zinc/94/36/64/809943664.db2.gz JJFJLLZHMJRGLW-UHFFFAOYSA-N 1 1 271.307 2.455 20 10 CECDMO C[C@@H]1C[C@H]([NH2+]Cc2cc(F)cc(F)c2O)[C@@H](C)O1 ZINC000708495828 809944370 /nfs/dbraw/zinc/94/43/70/809944370.db2.gz FRMZXTWVMUHMCJ-RWYTXXIDSA-N 1 1 257.280 2.326 20 10 CECDMO CC[N@@H+](Cc1ccccc1O)[C@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172181514 815331543 /nfs/dbraw/zinc/33/15/43/815331543.db2.gz XRONDFUNAXOQEG-LSDHHAIUSA-N 1 1 288.391 2.368 20 10 CECDMO C[C@H]1COC[C@@H]1[NH2+]Cc1cccc(Br)c1O ZINC000829430524 810870510 /nfs/dbraw/zinc/87/05/10/810870510.db2.gz CHTHGMQSMLTLML-KWQFWETISA-N 1 1 286.169 2.279 20 10 CECDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CCc3cccc(O)c3C2)C1 ZINC001169039854 811348937 /nfs/dbraw/zinc/34/89/37/811348937.db2.gz UWXVJXIZSLICMZ-AAEUAGOBSA-N 1 1 276.336 2.196 20 10 CECDMO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](NCc1ccc3c(c1)CCO3)C2 ZINC001169090163 811383243 /nfs/dbraw/zinc/38/32/43/811383243.db2.gz HYKDXXSLSFBOJH-PHZGNYQRSA-N 1 1 272.392 2.336 20 10 CECDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](NCc1ccc3c(c1)CCO3)C2 ZINC001169090163 811383255 /nfs/dbraw/zinc/38/32/55/811383255.db2.gz HYKDXXSLSFBOJH-PHZGNYQRSA-N 1 1 272.392 2.336 20 10 CECDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCc3cccc(O)c3C1)C2 ZINC001169153209 811413811 /nfs/dbraw/zinc/41/38/11/811413811.db2.gz HRMJRAJIJFUFBD-FICVDOATSA-N 1 1 272.392 2.376 20 10 CECDMO CN1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCc3cccc(O)c3C1)C2 ZINC001169153209 811413824 /nfs/dbraw/zinc/41/38/24/811413824.db2.gz HRMJRAJIJFUFBD-FICVDOATSA-N 1 1 272.392 2.376 20 10 CECDMO CN1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCc3cccc(O)c3C1)C2 ZINC001169153209 811413832 /nfs/dbraw/zinc/41/38/32/811413832.db2.gz HRMJRAJIJFUFBD-FICVDOATSA-N 1 1 272.392 2.376 20 10 CECDMO CCN(C)c1nc(NCc2ccc(O)c(O)c2)[nH+]cc1C ZINC001169993223 811862584 /nfs/dbraw/zinc/86/25/84/811862584.db2.gz IROYLSZSDHOHGX-UHFFFAOYSA-N 1 1 288.351 2.264 20 10 CECDMO Cc1nnc([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2)[nH]1 ZINC000392379253 813301887 /nfs/dbraw/zinc/30/18/87/813301887.db2.gz QREHIZBHSJVCGC-JTQLQIEISA-N 1 1 259.357 2.030 20 10 CECDMO Cc1nnc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)[nH]1 ZINC000392379236 813303128 /nfs/dbraw/zinc/30/31/28/813303128.db2.gz KLMAEHDNUQTZRI-SNVBAGLBSA-N 1 1 259.357 2.030 20 10 CECDMO COc1cccc(O)c1C[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC001116444089 814853403 /nfs/dbraw/zinc/85/34/03/814853403.db2.gz QDYJVIYBEUIIAG-WFASDCNBSA-N 1 1 277.364 2.402 20 10 CECDMO COC(=O)CC1CC[NH+](Cc2c(O)cccc2F)CC1 ZINC001137832681 815693433 /nfs/dbraw/zinc/69/34/33/815693433.db2.gz DIFAVHHVUIOADQ-UHFFFAOYSA-N 1 1 281.327 2.306 20 10 CECDMO CC(C)[C@H]1COCC[N@@H+]1Cc1cccc(F)c1O ZINC001138128331 815734772 /nfs/dbraw/zinc/73/47/72/815734772.db2.gz DCNWOZQDCPLVCL-CYBMUJFWSA-N 1 1 253.317 2.388 20 10 CECDMO CC(C)[C@H]1COCC[N@H+]1Cc1cccc(F)c1O ZINC001138128331 815734774 /nfs/dbraw/zinc/73/47/74/815734774.db2.gz DCNWOZQDCPLVCL-CYBMUJFWSA-N 1 1 253.317 2.388 20 10 CECDMO Cc1c(C[N@H+]2CCN3C(=O)CC[C@@H]3C2)c2ccccc2n1C ZINC001138258464 815755805 /nfs/dbraw/zinc/75/58/05/815755805.db2.gz SLTGRFINEPGBPG-CQSZACIVSA-N 1 1 297.402 2.293 20 10 CECDMO Cn1cnc2c1C[N@H+](Cc1ccc3c(c1)CCCN3C)CC2 ZINC001138359054 815775131 /nfs/dbraw/zinc/77/51/31/815775131.db2.gz IVYGDFPFWOEZDJ-UHFFFAOYSA-N 1 1 296.418 2.361 20 10 CECDMO Cn1cnc2c1C[N@@H+](Cc1ccc3c(c1)CCCN3C)CC2 ZINC001138359054 815775135 /nfs/dbraw/zinc/77/51/35/815775135.db2.gz IVYGDFPFWOEZDJ-UHFFFAOYSA-N 1 1 296.418 2.361 20 10 CECDMO CN(C)C[C@@]12C[C@@H]1C[N@H+](Cc1ccc3c(c1)CCCN3C)C2 ZINC001138359624 815777610 /nfs/dbraw/zinc/77/76/10/815777610.db2.gz WVQQFTOKXHQWRE-IEBWSBKVSA-N 1 1 299.462 2.453 20 10 CECDMO CN(C)C[C@@]12C[C@@H]1C[N@@H+](Cc1ccc3c(c1)CCCN3C)C2 ZINC001138359624 815777614 /nfs/dbraw/zinc/77/76/14/815777614.db2.gz WVQQFTOKXHQWRE-IEBWSBKVSA-N 1 1 299.462 2.453 20 10 CECDMO Cc1cc(C[N@H+]2CC[C@H]3OCC[C@H]32)ccc1N(C)C ZINC001139670052 816076015 /nfs/dbraw/zinc/07/60/15/816076015.db2.gz FTSSSRUPBRBKNI-HZPDHXFCSA-N 1 1 260.381 2.424 20 10 CECDMO CC[N@H+](Cc1ccc(N(C)C)c(C)c1)[C@@H](C)C(=O)OC ZINC001139674651 816078405 /nfs/dbraw/zinc/07/84/05/816078405.db2.gz ZTWCAFSTCWUKOZ-ZDUSSCGKSA-N 1 1 278.396 2.444 20 10 CECDMO CC[N@@H+](Cc1ccc(N(C)C)c(C)c1)[C@@H](C)C(=O)OC ZINC001139674651 816078408 /nfs/dbraw/zinc/07/84/08/816078408.db2.gz ZTWCAFSTCWUKOZ-ZDUSSCGKSA-N 1 1 278.396 2.444 20 10 CECDMO COC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc(F)ccc2O)C1 ZINC001140058200 816180688 /nfs/dbraw/zinc/18/06/88/816180688.db2.gz TWONACYFFTUZAO-GHMZBOCLSA-N 1 1 281.327 2.305 20 10 CECDMO O=C1CC[C@@]2(CCC[N@H+](Cc3cc(F)ccc3O)C2)O1 ZINC001140060304 816181692 /nfs/dbraw/zinc/18/16/92/816181692.db2.gz UTHQBNKTYHKBCI-OAHLLOKOSA-N 1 1 279.311 2.203 20 10 CECDMO CO[C@@H]1C[N@@H+](Cc2c(C)ccc(C)c2O)C[C@@H]1F ZINC001140178511 816204069 /nfs/dbraw/zinc/20/40/69/816204069.db2.gz NEEUPAOQJYWUJZ-QWHCGFSZSA-N 1 1 253.317 2.178 20 10 CECDMO C[C@@]1(CO)CC[N@@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140461147 816258688 /nfs/dbraw/zinc/25/86/88/816258688.db2.gz FKZJPQBGALHBGB-CYBMUJFWSA-N 1 1 255.745 2.250 20 10 CECDMO Oc1cc(Cl)ccc1C[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC001140462668 816261126 /nfs/dbraw/zinc/26/11/26/816261126.db2.gz LEVLBXJYMQDXNK-PHIMTYICSA-N 1 1 253.729 2.124 20 10 CECDMO Cc1cc(F)cc(C[N@@H+]2CC[C@](N)(C(F)(F)F)C2)c1O ZINC001206251466 816276258 /nfs/dbraw/zinc/27/62/58/816276258.db2.gz QJWOUDSMJIYLQJ-GFCCVEGCSA-N 1 1 292.276 2.305 20 10 CECDMO Cc1cc(F)cc(C[N@H+]2CC[C@](N)(C(F)(F)F)C2)c1O ZINC001206251466 816276263 /nfs/dbraw/zinc/27/62/63/816276263.db2.gz QJWOUDSMJIYLQJ-GFCCVEGCSA-N 1 1 292.276 2.305 20 10 CECDMO C[N@@H+]1CC[C@]2(CC[NH+](Cc3c([O-])cc(F)cc3F)C2)C1 ZINC001140584227 816293673 /nfs/dbraw/zinc/29/36/73/816293673.db2.gz JQXPWIHXLVQJIC-HNNXBMFYSA-N 1 1 282.334 2.198 20 10 CECDMO 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CCC[N@H+](Cc1ccccc1[O-])C[C@@H]1C[NH2+]C[C@H]1C ZINC000903432644 635115100 /nfs/dbraw/zinc/11/51/00/635115100.db2.gz IOGUSPMXVIDVJL-HIFRSBDPSA-N 1 1 262.397 2.460 20 10 CECDMO COc1nccnc1C[NH2+]Cc1ccc(N(C)C)cc1C ZINC000823847334 635289581 /nfs/dbraw/zinc/28/95/81/635289581.db2.gz LLSAXQPZHJITDY-UHFFFAOYSA-N 1 1 286.379 2.149 20 10 CECDMO COc1cccc(O)c1CN1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903959803 635368970 /nfs/dbraw/zinc/36/89/70/635368970.db2.gz OTLFABARUXBAEI-QGZVFWFLSA-N 1 1 290.407 2.366 20 10 CECDMO [O-]c1c(F)cccc1C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903960152 635369567 /nfs/dbraw/zinc/36/95/67/635369567.db2.gz YBSAZTRCQFASBA-MRXNPFEDSA-N 1 1 278.371 2.497 20 10 CECDMO CN(C)c1ccc(C[NH2+]Cc2cc(N)ccn2)cc1 ZINC000903950405 635383342 /nfs/dbraw/zinc/38/33/42/635383342.db2.gz NCIGVEOFXRWKNM-UHFFFAOYSA-N 1 1 256.353 2.020 20 10 CECDMO CCOc1ccc(O)c(C[N@H+]2CC[C@@H](CO)[C@H]2CC)c1 ZINC000824636527 635467922 /nfs/dbraw/zinc/46/79/22/635467922.db2.gz RPRDIJPATWRPTN-SWLSCSKDSA-N 1 1 279.380 2.384 20 10 CECDMO CC[C@H]1[C@@H](CO)CC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000824636817 635468133 /nfs/dbraw/zinc/46/81/33/635468133.db2.gz TYMBCOPWXBJLAA-ZBFHGGJFSA-N 1 1 262.397 2.345 20 10 CECDMO Cc1cc(O)c(C[N@@H+]2C[C@@H]3C[C@H]2C[S@]3=O)cc1Cl ZINC000826143295 635767305 /nfs/dbraw/zinc/76/73/05/635767305.db2.gz WPFRONVXCUQGFB-LDLUMPKVSA-N 1 1 285.796 2.059 20 10 CECDMO Cc1cc(O)c(C[N@H+]2C[C@@H]3C[C@H]2C[S@]3=O)cc1Cl ZINC000826143295 635767309 /nfs/dbraw/zinc/76/73/09/635767309.db2.gz WPFRONVXCUQGFB-LDLUMPKVSA-N 1 1 285.796 2.059 20 10 CECDMO Cc1cccc(C[N@H+]2CCc3nccnc3C2)c1O ZINC000827693145 636393953 /nfs/dbraw/zinc/39/39/53/636393953.db2.gz YUYAYMAKAWBMKT-UHFFFAOYSA-N 1 1 255.321 2.049 20 10 CECDMO CCN(CC)c1ccc(C[N@H+]2CCCN(C=O)CC2)cc1 ZINC000827877644 636449956 /nfs/dbraw/zinc/44/99/56/636449956.db2.gz RTEWKYCDZDCEGJ-UHFFFAOYSA-N 1 1 289.423 2.197 20 10 CECDMO CCOc1ccc(O)c(C[N@H+]2CCCc3n[nH]cc3C2)c1 ZINC000828014101 636486444 /nfs/dbraw/zinc/48/64/44/636486444.db2.gz UIKQKSBXQCVWIT-UHFFFAOYSA-N 1 1 287.363 2.462 20 10 CECDMO C[N@H+]1CCCC[C@@H]1CCC(=O)NCCc1ccc(N)cc1 ZINC000832659118 637636263 /nfs/dbraw/zinc/63/62/63/637636263.db2.gz MWPRKBRXPFJBMQ-MRXNPFEDSA-N 1 1 289.423 2.192 20 10 CECDMO CCOc1cccc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)c1O ZINC000841088093 637672965 /nfs/dbraw/zinc/67/29/65/637672965.db2.gz WUUZNOXCNJJEBV-ZDUSSCGKSA-N 1 1 266.385 2.254 20 10 CECDMO [O-]c1c(F)cccc1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000841088345 637701854 /nfs/dbraw/zinc/70/18/54/637701854.db2.gz VCEBBHIKFXNPRG-WFASDCNBSA-N 1 1 278.371 2.495 20 10 CECDMO COc1ncc(C[N@H+](C)Cc2ccccc2O)s1 ZINC000876615562 650360650 /nfs/dbraw/zinc/36/06/50/650360650.db2.gz HYJTVKUPORRCSO-UHFFFAOYSA-N 1 1 264.350 2.489 20 10 CECDMO COc1ncc(C[N@@H+](C)Cc2ccccc2O)s1 ZINC000876615562 650360652 /nfs/dbraw/zinc/36/06/52/650360652.db2.gz HYJTVKUPORRCSO-UHFFFAOYSA-N 1 1 264.350 2.489 20 10 CECDMO CCC1(C[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2O)COC1 ZINC000834899665 637981199 /nfs/dbraw/zinc/98/11/99/637981199.db2.gz LIHHCSIGMPIVTN-NSHDSACASA-N 1 1 293.363 2.256 20 10 CECDMO CCO[C@@H]1COC[C@H]1[NH2+][C@@H](CC)c1ccc(F)cc1O ZINC000834905123 637984058 /nfs/dbraw/zinc/98/40/58/637984058.db2.gz SVMRJNDKBORAKD-GZBFAFLISA-N 1 1 283.343 2.376 20 10 CECDMO Cc1ccc(C[N@H+]2CC[S@](=O)[C@@H](C)[C@@H]2C)c(O)c1 ZINC000876755293 650421394 /nfs/dbraw/zinc/42/13/94/650421394.db2.gz JECUGWJJHBRUOC-PZROIBLQSA-N 1 1 267.394 2.042 20 10 CECDMO Cc1ccc(C[N@@H+]2CC[S@](=O)[C@@H](C)[C@@H]2C)c(O)c1 ZINC000876755293 650421395 /nfs/dbraw/zinc/42/13/95/650421395.db2.gz JECUGWJJHBRUOC-PZROIBLQSA-N 1 1 267.394 2.042 20 10 CECDMO Cc1ccc(C[N@H+]2CCC[C@H](Cn3ccnn3)C2)c(O)c1 ZINC000876815276 650443779 /nfs/dbraw/zinc/44/37/79/650443779.db2.gz WGUUSDJZCOCJGD-AWEZNQCLSA-N 1 1 286.379 2.204 20 10 CECDMO COc1cc(C)cc(C[N@@H+](C)C[C@@H]2CCOC2)c1O ZINC000164459876 639376722 /nfs/dbraw/zinc/37/67/22/639376722.db2.gz WJDOVQPINLFFQF-LBPRGKRZSA-N 1 1 265.353 2.178 20 10 CECDMO C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc(N)cc3)CC[C@@H]21 ZINC000166707818 639480249 /nfs/dbraw/zinc/48/02/49/639480249.db2.gz SHQWCRYRQKEMHE-DOMZBBRYSA-N 1 1 288.395 2.217 20 10 CECDMO Cc1cc(O)c(C[N@H+]2CCC[C@H](O)C2)c(Cl)c1 ZINC000840908956 639581548 /nfs/dbraw/zinc/58/15/48/639581548.db2.gz ZJLAZSKJYTUOJC-JTQLQIEISA-N 1 1 255.745 2.311 20 10 CECDMO Cc1cc(O)c(C[N@H+]2CC[C@@H](C)C[C@H]2C(N)=O)c(Cl)c1 ZINC000840939258 639593704 /nfs/dbraw/zinc/59/37/04/639593704.db2.gz LRCYKKIQUVKECI-RNCFNFMXSA-N 1 1 296.798 2.440 20 10 CECDMO Cc1cc(O)c(C[N@@H+]2CC[C@@H](C)C[C@H]2C(N)=O)c(Cl)c1 ZINC000840939258 639593705 /nfs/dbraw/zinc/59/37/05/639593705.db2.gz LRCYKKIQUVKECI-RNCFNFMXSA-N 1 1 296.798 2.440 20 10 CECDMO Cc1cc(O)c(C[N@H+]2CC[C@@]3(CNC(=O)C3)C2)c(Cl)c1 ZINC000840941274 639594640 /nfs/dbraw/zinc/59/46/40/639594640.db2.gz VHWXZJYFFGBYES-OAHLLOKOSA-N 1 1 294.782 2.066 20 10 CECDMO CN(C)c1ccc(/C=C/C[NH2+][C@H](CN)C2CC2)cc1 ZINC000841027938 639621339 /nfs/dbraw/zinc/62/13/39/639621339.db2.gz GSPMMPFOQQDGGV-QDLOVBKTSA-N 1 1 259.397 2.093 20 10 CECDMO C[C@@H](NCc1ccc(N(C)C)c(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000841032358 639624182 /nfs/dbraw/zinc/62/41/82/639624182.db2.gz BMMJMXDAOYUVEZ-TZMCWYRMSA-N 1 1 279.403 2.369 20 10 CECDMO [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2c([O-])cccc2Cl)C1 ZINC000841056925 639634440 /nfs/dbraw/zinc/63/44/40/639634440.db2.gz FYUXGIGPEDWXGT-ZJUUUORDSA-N 1 1 254.761 2.405 20 10 CECDMO Cc1cc(Cl)cc(C[NH2+][C@H]2CNCC[C@H]2C)c1O ZINC000841057591 639635227 /nfs/dbraw/zinc/63/52/27/639635227.db2.gz AKYCVDOINXCSKC-RNCFNFMXSA-N 1 1 268.788 2.442 20 10 CECDMO C[C@@H]1CCNC[C@@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000841059002 639636334 /nfs/dbraw/zinc/63/63/34/639636334.db2.gz IYMWOIFCGALOKD-PBHICJAKSA-N 1 1 273.424 2.374 20 10 CECDMO CCC[N@H+]1CCC[C@H]1CNC(=O)Nc1ccc(N)cc1 ZINC000841300652 639733378 /nfs/dbraw/zinc/73/33/78/639733378.db2.gz YPSGIUQNOIMPDK-AWEZNQCLSA-N 1 1 276.384 2.265 20 10 CECDMO C[C@H]([NH2+][C@H]1CCN(C2CC2)C1)c1ccc(F)cc1O ZINC000062748345 639783373 /nfs/dbraw/zinc/78/33/73/639783373.db2.gz JNJXXXNIAKGKPL-JQWIXIFHSA-N 1 1 264.344 2.419 20 10 CECDMO C[NH2+]C1CCN(Cc2cccc(Cl)c2O)CC1 ZINC000843048920 640253849 /nfs/dbraw/zinc/25/38/49/640253849.db2.gz AHIHWNKQDLSJLT-UHFFFAOYSA-N 1 1 254.761 2.229 20 10 CECDMO CN(C)c1ccc(/C=C\CN2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000843114944 640284966 /nfs/dbraw/zinc/28/49/66/640284966.db2.gz LRKVVJNXSOHJTF-CHYADLBTSA-N 1 1 273.424 2.437 20 10 CECDMO C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2O)CO1 ZINC000843432935 640429828 /nfs/dbraw/zinc/42/98/28/640429828.db2.gz RMLDUNKOSBUZKV-VXNVDRBHSA-N 1 1 259.708 2.452 20 10 CECDMO COc1ccc(N(C)CC[N@@H+](C)C[C@H]2CCCOC2)cc1 ZINC000844401158 640708605 /nfs/dbraw/zinc/70/86/05/640708605.db2.gz KPNVVOKLYLVELS-OAHLLOKOSA-N 1 1 292.423 2.490 20 10 CECDMO CCC[N@H+](CC(=O)OC)Cc1cc2c(cc1O)CCC2 ZINC000918178119 640947634 /nfs/dbraw/zinc/94/76/34/640947634.db2.gz XFSFPDQRHPZGEF-UHFFFAOYSA-N 1 1 277.364 2.266 20 10 CECDMO CCC[N@@H+](CC(=O)OC)Cc1cc2c(cc1O)CCC2 ZINC000918178119 640947636 /nfs/dbraw/zinc/94/76/36/640947636.db2.gz XFSFPDQRHPZGEF-UHFFFAOYSA-N 1 1 277.364 2.266 20 10 CECDMO COCc1cc(C[NH2+][C@H](C)c2cc(OC)ccc2O)no1 ZINC000845973406 641142144 /nfs/dbraw/zinc/14/21/44/641142144.db2.gz ZTRXUNPNYWCPGS-SNVBAGLBSA-N 1 1 292.335 2.386 20 10 CECDMO CC(C)[N@@H+](C)CC(=O)NCc1cc(Cl)ccc1O ZINC000846472022 641310040 /nfs/dbraw/zinc/31/00/40/641310040.db2.gz FDVBHBILLSENEY-UHFFFAOYSA-N 1 1 270.760 2.002 20 10 CECDMO CCOc1ccc(CN2CC[C@@H]([NH3+])C[C@@H]2C)c(O)c1 ZINC000846699699 641400287 /nfs/dbraw/zinc/40/02/87/641400287.db2.gz VVZUCDTVXGHNJA-WCQYABFASA-N 1 1 264.369 2.103 20 10 CECDMO C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1O)c1nnnn1C1CC1 ZINC000189122103 641663955 /nfs/dbraw/zinc/66/39/55/641663955.db2.gz IKJIZPZXDPTBFA-RKDXNWHRSA-N 1 1 291.330 2.265 20 10 CECDMO CCO[C@H]1C[C@@H]([NH2+][C@H](C)c2cc(C(=O)OC)ccc2O)C1 ZINC000840764793 642125523 /nfs/dbraw/zinc/12/55/23/642125523.db2.gz ZLVFABADBJZFLT-RTXFEEFZSA-N 1 1 293.363 2.397 20 10 CECDMO CCc1cccc(C[N@H+]2CC[S@](=O)C[C@@H](C)C2)c1O ZINC000848907304 642183988 /nfs/dbraw/zinc/18/39/88/642183988.db2.gz LDFJJORYLUQPLV-BUXKBTBVSA-N 1 1 281.421 2.155 20 10 CECDMO CCc1cccc(C[N@H+]2C[C@@H](C)O[C@]3(CCOC3)C2)c1O ZINC000848908080 642184168 /nfs/dbraw/zinc/18/41/68/642184168.db2.gz MRKSVAVDTTWLQI-CXAGYDPISA-N 1 1 291.391 2.334 20 10 CECDMO COCC[N@@H+](Cc1ccnn1C)Cc1c(C)cccc1O ZINC000877483280 650743607 /nfs/dbraw/zinc/74/36/07/650743607.db2.gz RUMATBMECUIDRU-UHFFFAOYSA-N 1 1 289.379 2.083 20 10 CECDMO COc1ccc(N2CC[C@H](NC[C@H]([NH3+])CC(C)C)C2)cc1 ZINC000849350315 642340385 /nfs/dbraw/zinc/34/03/85/642340385.db2.gz NPABNJXOCIWEJP-CABCVRRESA-N 1 1 291.439 2.237 20 10 CECDMO COc1ccc(N2CC[C@H]([NH2+]C[C@H](N)CC(C)C)C2)cc1 ZINC000849350315 642340392 /nfs/dbraw/zinc/34/03/92/642340392.db2.gz NPABNJXOCIWEJP-CABCVRRESA-N 1 1 291.439 2.237 20 10 CECDMO Cc1ccc(C[N@H+]2CCO[C@@]3(CCO[C@@H]3C)C2)c(O)c1 ZINC000877487284 650745311 /nfs/dbraw/zinc/74/53/11/650745311.db2.gz SDCYYXWEIKIOIB-CJNGLKHVSA-N 1 1 277.364 2.080 20 10 CECDMO Cc1cc(Br)c(O)c(C[NH2+][C@H]2C[C@H](O)C2)c1 ZINC000850417791 642705307 /nfs/dbraw/zinc/70/53/07/642705307.db2.gz LNBAKKJPKBTVGC-MGCOHNPYSA-N 1 1 286.169 2.076 20 10 CECDMO CC[N@@H+]1C[C@@H](C)[C@H](NCc2ccc3c(c2)CCCO3)C1 ZINC000921832299 642705451 /nfs/dbraw/zinc/70/54/51/642705451.db2.gz JJWJUDWQDHLFOL-CZUORRHYSA-N 1 1 274.408 2.441 20 10 CECDMO CC[N@H+]1C[C@@H](C)[C@H](NCc2ccc3c(c2)CCCO3)C1 ZINC000921832299 642705453 /nfs/dbraw/zinc/70/54/53/642705453.db2.gz JJWJUDWQDHLFOL-CZUORRHYSA-N 1 1 274.408 2.441 20 10 CECDMO c1n[nH]c2c1CC[C@H]([NH2+]Cc1ccc3c(c1)CCCO3)C2 ZINC000921839495 642725949 /nfs/dbraw/zinc/72/59/49/642725949.db2.gz PZFFZWBLYWFYTI-HNNXBMFYSA-N 1 1 283.375 2.382 20 10 CECDMO CC[C@H]([NH2+]Cc1cn(CC)nn1)c1ccc(F)cc1O ZINC000850522179 642739153 /nfs/dbraw/zinc/73/91/53/642739153.db2.gz GQWSQVVJTHHIOI-ZDUSSCGKSA-N 1 1 278.331 2.384 20 10 CECDMO Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)c(O)c1 ZINC000877569822 650794239 /nfs/dbraw/zinc/79/42/39/650794239.db2.gz ALLXPOMULSHRLK-GOOCMWNKSA-N 1 1 260.381 2.415 20 10 CECDMO Oc1cc2c(cc1C[NH2+][C@@H](c1ncccn1)C1CC1)OCO2 ZINC000922579360 643139545 /nfs/dbraw/zinc/13/95/45/643139545.db2.gz HYHJPWHDMXPLKQ-OAHLLOKOSA-N 1 1 299.330 2.152 20 10 CECDMO CCO[C@H](C[NH2+]Cc1ccc(OC)c(C)c1)CN(C)C ZINC000922756593 643247125 /nfs/dbraw/zinc/24/71/25/643247125.db2.gz MHWWLFXOYQZCQU-OAHLLOKOSA-N 1 1 280.412 2.060 20 10 CECDMO CC[C@H](C)[N@@H+](CC)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000852293927 643382788 /nfs/dbraw/zinc/38/27/88/643382788.db2.gz UDSJRWGHAFVYRW-AWEZNQCLSA-N 1 1 291.439 2.489 20 10 CECDMO Cc1ccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)c(O)c1 ZINC000877657046 650837118 /nfs/dbraw/zinc/83/71/18/650837118.db2.gz GEZPGCKIAVBFFK-TYILLQQXSA-N 1 1 279.405 2.186 20 10 CECDMO C[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)C[C@@]1(C)CO ZINC000852701875 643519079 /nfs/dbraw/zinc/51/90/79/643519079.db2.gz GPJNPSRCEIZMJC-BBRMVZONSA-N 1 1 262.397 2.203 20 10 CECDMO 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/nfs/dbraw/zinc/79/59/41/648795941.db2.gz ZHEBJKOQYIHCBC-SFHVURJKSA-N 1 1 286.419 2.409 20 10 CECDMO CO[C@H]1COCC[C@H]1[N@@H+](C)Cc1ccc(N(C)C)c(C)c1 ZINC000880437101 651440776 /nfs/dbraw/zinc/44/07/76/651440776.db2.gz GICWJXOPCQFURA-SJORKVTESA-N 1 1 292.423 2.297 20 10 CECDMO C[C@H](Cc1cnccn1)[NH2+]Cc1cc(F)cc(F)c1O ZINC000882938103 652276397 /nfs/dbraw/zinc/27/63/97/652276397.db2.gz YVHRASVARUUWCL-SECBINFHSA-N 1 1 279.290 2.181 20 10 CECDMO C[C@@](O)(C[NH2+]Cc1cc(F)cc(F)c1O)c1ccco1 ZINC000883018580 652327556 /nfs/dbraw/zinc/32/75/56/652327556.db2.gz IQRZXOZDAJZIIO-CQSZACIVSA-N 1 1 283.274 2.261 20 10 CECDMO Cc1ccc(O)c(C[NH+]2CCN(CC(C)C)CC2)c1 ZINC000133836664 652729177 /nfs/dbraw/zinc/72/91/77/652729177.db2.gz BYYCSVQJFWNNAK-UHFFFAOYSA-N 1 1 262.397 2.474 20 10 CECDMO CN(C)c1ccc(/C=C/C(=O)N2[C@@H]3CC[C@H]2C[N@H+](C)C3)cc1 ZINC001270930728 805692869 /nfs/dbraw/zinc/69/28/69/805692869.db2.gz CSJNBDIZLBCFBS-LYMUKDTJSA-N 1 1 299.418 2.071 20 10 CECDMO Oc1cc(O)c(CCNc2ccc3[nH]c[nH+]c3c2)cc1O ZINC001168014593 805733055 /nfs/dbraw/zinc/73/30/55/805733055.db2.gz UFPQEFHFCDGYPF-UHFFFAOYSA-N 1 1 285.303 2.334 20 10 CECDMO Oc1ccc(O)c(C[N@H+]2CC[C@@H]3CCCO[C@@H]3C2)c1 ZINC001141156085 803758131 /nfs/dbraw/zinc/75/81/31/803758131.db2.gz DTYRSXAKUVHVPP-XHDPSFHLSA-N 1 1 263.337 2.099 20 10 CECDMO CO[C@H]1CC[N@@H+](Cc2cc(O)ccc2O)[C@@H](C)C1 ZINC001141163295 803762737 /nfs/dbraw/zinc/76/27/37/803762737.db2.gz ZEUJPWCCUKBAHA-GWCFXTLKSA-N 1 1 251.326 2.097 20 10 CECDMO CCOc1ccc(O)c(C[N@H+]2CC[C@]23CCOC3)c1 ZINC001118055569 814981567 /nfs/dbraw/zinc/98/15/67/814981567.db2.gz UOTHJSZJPQKALR-OAHLLOKOSA-N 1 1 263.337 2.156 20 10 CECDMO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]CC1(N)CCOCC1 ZINC001118960205 815058128 /nfs/dbraw/zinc/05/81/28/815058128.db2.gz WARHOBZGLOIZGV-QWHCGFSZSA-N 1 1 290.407 2.346 20 10 CECDMO COc1ccc(C[N@H+]2CCC[C@H]([NH3+])CC2)c([O-])c1Cl ZINC001205123934 807716790 /nfs/dbraw/zinc/71/67/90/807716790.db2.gz HNQORAFKXUJLEO-NSHDSACASA-N 1 1 284.787 2.367 20 10 CECDMO Cc1cccc(O)c1CN1CC([NH+]2CCC(F)CC2)C1 ZINC001237488338 808220719 /nfs/dbraw/zinc/22/07/19/808220719.db2.gz SYTWXWGFAOVIBM-UHFFFAOYSA-N 1 1 278.371 2.319 20 10 CECDMO C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccc(F)c(F)c2[O-])C1 ZINC000703339925 809642768 /nfs/dbraw/zinc/64/27/68/809642768.db2.gz DXJDMOKWJUOGEV-LLVKDONJSA-N 1 1 284.350 2.492 20 10 CECDMO C[NH+](C)[C@@H]1CCCN(Cc2cc(F)cc(F)c2O)C1 ZINC000708398584 809928823 /nfs/dbraw/zinc/92/88/23/809928823.db2.gz HVWMITMLBWFGQJ-GFCCVEGCSA-N 1 1 270.323 2.196 20 10 CECDMO C[N@H+]1C[C@@H]2CN(Cc3cc(F)cc(F)c3[O-])C[C@]2(C)C1 ZINC000708381470 809928918 /nfs/dbraw/zinc/92/89/18/809928918.db2.gz BHXPJZBDCBRWAN-ABAIWWIYSA-N 1 1 282.334 2.054 20 10 CECDMO C[C@H]([NH2+]Cc1cc(F)cc(F)c1O)C(=O)NC(C)(C)C ZINC000708393907 809929011 /nfs/dbraw/zinc/92/90/11/809929011.db2.gz LRPNPOZTSCNIQV-QMMMGPOBSA-N 1 1 286.322 2.063 20 10 CECDMO Oc1c(F)cc(F)cc1C[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000708413720 809929712 /nfs/dbraw/zinc/92/97/12/809929712.db2.gz 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/nfs/dbraw/zinc/94/53/96/809945396.db2.gz ODOUXTNIOFZLGV-NSHDSACASA-N 1 1 284.350 2.490 20 10 CECDMO CCCC[N@@H+](Cc1ccccc1O)[C@H](CC)C(N)=O ZINC000282379709 810756980 /nfs/dbraw/zinc/75/69/80/810756980.db2.gz FXBYTITVXWUXGO-CYBMUJFWSA-N 1 1 264.369 2.258 20 10 CECDMO CC[N@@H+](Cc1ccccc1O)[C@H]1CCCN(C(C)=O)C1 ZINC001169623917 811594020 /nfs/dbraw/zinc/59/40/20/811594020.db2.gz IMADGWMHYNBDDM-HNNXBMFYSA-N 1 1 276.380 2.225 20 10 CECDMO COc1ccc2[nH+]ccc(NCc3ccc(O)c(O)c3)c2n1 ZINC001169994917 811874161 /nfs/dbraw/zinc/87/41/61/811874161.db2.gz MGHKVEPJYJLVEI-UHFFFAOYSA-N 1 1 297.314 2.084 20 10 CECDMO CC[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2O)C[C@@H]1O ZINC000770380074 811920556 /nfs/dbraw/zinc/92/05/56/811920556.db2.gz LJKHXJOSKWXAJB-RNCFNFMXSA-N 1 1 255.745 2.248 20 10 CECDMO CC[N@@H+](Cc1ccccc1O)C1CCN(C(=O)OC)CC1 ZINC001172740927 815499243 /nfs/dbraw/zinc/49/92/43/815499243.db2.gz DBOUDNCLUSTFDF-UHFFFAOYSA-N 1 1 292.379 2.445 20 10 CECDMO Oc1cc(O)c(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)c(O)c1 ZINC001144500607 814091064 /nfs/dbraw/zinc/09/10/64/814091064.db2.gz WPGDUVMVCHQCTA-PHIMTYICSA-N 1 1 263.337 2.425 20 10 CECDMO Oc1cc(O)c(C[N@H+]2CC[C@@]3(CC3(F)F)C2)c(O)c1 ZINC001144508912 814096957 /nfs/dbraw/zinc/09/69/57/814096957.db2.gz DBRNZFUURUFCET-GFCCVEGCSA-N 1 1 271.263 2.035 20 10 CECDMO C[C@H]1CCC[N@H+](Cc2c(O)cccc2F)[C@H]1CO ZINC001137831726 815690573 /nfs/dbraw/zinc/69/05/73/815690573.db2.gz LHTUIXJDOKLLIL-GWCFXTLKSA-N 1 1 253.317 2.124 20 10 CECDMO C[C@H]1CCC[N@@H+](Cc2c(O)cccc2F)[C@H]1CO ZINC001137831726 815690577 /nfs/dbraw/zinc/69/05/77/815690577.db2.gz LHTUIXJDOKLLIL-GWCFXTLKSA-N 1 1 253.317 2.124 20 10 CECDMO C[C@]1(O)CCC[N@H+](Cc2c(O)cccc2F)CC1 ZINC001137831998 815691564 /nfs/dbraw/zinc/69/15/64/815691564.db2.gz WEWHKEGMFKAFMV-AWEZNQCLSA-N 1 1 253.317 2.268 20 10 CECDMO C[C@]1(O)CCC[N@@H+](Cc2c(O)cccc2F)CC1 ZINC001137831998 815691568 /nfs/dbraw/zinc/69/15/68/815691568.db2.gz WEWHKEGMFKAFMV-AWEZNQCLSA-N 1 1 253.317 2.268 20 10 CECDMO C[C@@H]1C[N@H+](Cc2c(O)cccc2F)CC[C@]1(C)O ZINC001137833238 815693415 /nfs/dbraw/zinc/69/34/15/815693415.db2.gz XVSLIDBCFICPDH-YGRLFVJLSA-N 1 1 253.317 2.124 20 10 CECDMO C[C@@H]1C[N@@H+](Cc2c(O)cccc2F)CC[C@]1(C)O ZINC001137833238 815693419 /nfs/dbraw/zinc/69/34/19/815693419.db2.gz XVSLIDBCFICPDH-YGRLFVJLSA-N 1 1 253.317 2.124 20 10 CECDMO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1c(O)cccc1F ZINC001137839178 815694983 /nfs/dbraw/zinc/69/49/83/815694983.db2.gz VFCWTKDBICQZAS-JTQLQIEISA-N 1 1 267.300 2.059 20 10 CECDMO COC(=O)C[C@@H]1CCC[N@H+]1Cc1c(O)cccc1F ZINC001137839178 815694985 /nfs/dbraw/zinc/69/49/85/815694985.db2.gz VFCWTKDBICQZAS-JTQLQIEISA-N 1 1 267.300 2.059 20 10 CECDMO C[C@H]1C[N@@H+](Cc2cccc(F)c2[O-])CCC[C@H]1O ZINC001138123710 815731907 /nfs/dbraw/zinc/73/19/07/815731907.db2.gz ILYQKPFYZPBJSU-GXFFZTMASA-N 1 1 253.317 2.124 20 10 CECDMO C[C@H]1C[N@H+](Cc2cccc(F)c2O)CCC[C@H]1O ZINC001138123710 815731913 /nfs/dbraw/zinc/73/19/13/815731913.db2.gz ILYQKPFYZPBJSU-GXFFZTMASA-N 1 1 253.317 2.124 20 10 CECDMO C[C@H]1C[N@@H+](Cc2cccc(F)c2O)CCC[C@H]1O ZINC001138123710 815731919 /nfs/dbraw/zinc/73/19/19/815731919.db2.gz ILYQKPFYZPBJSU-GXFFZTMASA-N 1 1 253.317 2.124 20 10 CECDMO CC(=O)C1CC[NH+](Cc2cccc(F)c2O)CC1 ZINC001138128378 815734448 /nfs/dbraw/zinc/73/44/48/815734448.db2.gz GBQKVNTZOIEHHP-UHFFFAOYSA-N 1 1 251.301 2.332 20 10 CECDMO CCN1CC[NH+](Cc2ccc3c(c2)CCCN3C)CC1 ZINC001138354426 815772831 /nfs/dbraw/zinc/77/28/31/815772831.db2.gz JLMHAYBAIRQDJT-UHFFFAOYSA-N 1 1 273.424 2.207 20 10 CECDMO CN1CCCc2cc(C[N@H+]3CC[C@H]4OCC[C@H]43)ccc21 ZINC001138355887 815774878 /nfs/dbraw/zinc/77/48/78/815774878.db2.gz XOBGEPAVDMRMOE-IAGOWNOFSA-N 1 1 272.392 2.432 20 10 CECDMO CCO[C@@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC001138499194 815816836 /nfs/dbraw/zinc/81/68/36/815816836.db2.gz CHKAOZYJLHZKKO-QGZVFWFLSA-N 1 1 290.407 2.134 20 10 CECDMO CCCNC(=O)[C@@H]1CCCC[N@H+]1Cc1cc(F)ccc1O ZINC001140055122 816179425 /nfs/dbraw/zinc/17/94/25/816179425.db2.gz JZTRCTBNFUCMCB-AWEZNQCLSA-N 1 1 294.370 2.412 20 10 CECDMO CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2c(C)ccc(C)c2O)C1 ZINC001140185367 816206857 /nfs/dbraw/zinc/20/68/57/816206857.db2.gz UDEIBXBLGPLRCH-OAHLLOKOSA-N 1 1 290.407 2.452 20 10 CECDMO OC[C@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1O ZINC001140460997 816258893 /nfs/dbraw/zinc/25/88/93/816258893.db2.gz ATNNOLPXIHJRKJ-GFCCVEGCSA-N 1 1 255.745 2.392 20 10 CECDMO CC[N@@H+](CCCC(=O)OC)Cc1cc(C)ccc1O ZINC001140617461 816304631 /nfs/dbraw/zinc/30/46/31/816304631.db2.gz PLMYLERDKPAQDA-UHFFFAOYSA-N 1 1 265.353 2.476 20 10 CECDMO Cc1ccc(O)c(C[N@H+]2C[C@@H]3OCC(F)(F)[C@@H]3C2)c1 ZINC001140619380 816305306 /nfs/dbraw/zinc/30/53/06/816305306.db2.gz BYJDQQROWIQDHF-YPMHNXCESA-N 1 1 269.291 2.167 20 10 CECDMO COC(=O)CC[N@@H+](Cc1cc(C)ccc1O)C1CC1 ZINC001140623792 816306509 /nfs/dbraw/zinc/30/65/09/816306509.db2.gz RXFMYSQFOGBPCJ-UHFFFAOYSA-N 1 1 263.337 2.228 20 10 CECDMO CCCO[C@H]1CC[N@@H+](Cc2ccc(O)c(C)c2O)C1 ZINC001140745346 816340406 /nfs/dbraw/zinc/34/04/06/816340406.db2.gz 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/nfs/dbraw/zinc/02/91/62/638029162.db2.gz WGFVNSUMVQECHM-SREVYHEPSA-N 1 1 289.423 2.353 20 10 CECDMO CCNC(=O)C[N@H+](CC)C/C=C\c1ccc(N(C)C)cc1 ZINC000835024674 638029388 /nfs/dbraw/zinc/02/93/88/638029388.db2.gz ATPNHFADVLJNER-FPLPWBNLSA-N 1 1 289.423 2.224 20 10 CECDMO CCNC(=O)C[N@@H+](CC)C/C=C\c1ccc(N(C)C)cc1 ZINC000835024674 638029392 /nfs/dbraw/zinc/02/93/92/638029392.db2.gz ATPNHFADVLJNER-FPLPWBNLSA-N 1 1 289.423 2.224 20 10 CECDMO CC(C)NC(=O)C[N@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835025068 638029699 /nfs/dbraw/zinc/02/96/99/638029699.db2.gz GFHKRJXZIXKGBR-SREVYHEPSA-N 1 1 289.423 2.222 20 10 CECDMO CC(C)NC(=O)C[N@@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835025068 638029706 /nfs/dbraw/zinc/02/97/06/638029706.db2.gz GFHKRJXZIXKGBR-SREVYHEPSA-N 1 1 289.423 2.222 20 10 CECDMO COC[C@@H]1CC[N@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC000835056949 638041997 /nfs/dbraw/zinc/04/19/97/638041997.db2.gz WYXWJDHLQZSSKA-APHBUQMISA-N 1 1 260.381 2.487 20 10 CECDMO Cc1ccc(CN2CC[NH+](CCOC(C)C)CC2)c(O)c1 ZINC000876757976 650422434 /nfs/dbraw/zinc/42/24/34/650422434.db2.gz DFRBMOVHWNCZFR-UHFFFAOYSA-N 1 1 292.423 2.243 20 10 CECDMO Cc1cccc(O)c1C[N@@H+](C)CC(=O)NCc1ccccc1 ZINC000876754302 650421327 /nfs/dbraw/zinc/42/13/27/650421327.db2.gz FLKKRGIDUCHNBI-UHFFFAOYSA-N 1 1 298.386 2.449 20 10 CECDMO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3c(C)cccc3O)[C@H]2C1 ZINC000876814045 650443823 /nfs/dbraw/zinc/44/38/23/650443823.db2.gz JIWYQVDJZZIFGH-UKPHBRMFSA-N 1 1 291.391 2.469 20 10 CECDMO C[C@@H]([NH2+]CC1(CCO)CC1)c1ccc(F)cc1O ZINC000157518694 639495774 /nfs/dbraw/zinc/49/57/74/639495774.db2.gz OIEGMOXRLDXPET-SNVBAGLBSA-N 1 1 253.317 2.345 20 10 CECDMO Oc1ccc(F)cc1CNCCC[NH+]1CCCC1 ZINC000226619137 639555709 /nfs/dbraw/zinc/55/57/09/639555709.db2.gz TURMJKXHUDGTGC-UHFFFAOYSA-N 1 1 252.333 2.107 20 10 CECDMO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C(N)=O)c1ccccc1 ZINC000840928751 639589108 /nfs/dbraw/zinc/58/91/08/639589108.db2.gz IIJTYABIFAKJHD-QGZVFWFLSA-N 1 1 297.402 2.377 20 10 CECDMO COC[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2C)C[C@@H](C)O1 ZINC000840940092 639593934 /nfs/dbraw/zinc/59/39/34/639593934.db2.gz UKABSFHGLYCHGL-PBHICJAKSA-N 1 1 292.423 2.297 20 10 CECDMO Cc1cc(N(C)C)ccc1C[NH+]1C[C@H](C)S(=O)[C@@H](C)C1 ZINC000840941812 639595131 /nfs/dbraw/zinc/59/51/31/639595131.db2.gz MREMCYGPNSLNNA-KBPBESRZSA-N 1 1 294.464 2.402 20 10 CECDMO C[C@H]1[C@@H]([NH3+])CCN1Cc1c(O)ccc(Cl)c1F ZINC000841024166 639620126 /nfs/dbraw/zinc/62/01/26/639620126.db2.gz JEIXVQDBIKCXGG-XVKPBYJWSA-N 1 1 258.724 2.106 20 10 CECDMO CN(C)c1ccc(/C=C\C[NH2+]C[C@@H]2C[C@H](F)CN2)cc1 ZINC000841077863 639647524 /nfs/dbraw/zinc/64/75/24/639647524.db2.gz DXAVLWDSYWZTAB-CGXNLCPXSA-N 1 1 277.387 2.055 20 10 CECDMO COc1cc(Cl)cc(C[NH2+]Cc2cc[nH]n2)c1O ZINC000228670399 639651386 /nfs/dbraw/zinc/65/13/86/639651386.db2.gz KMSCQPXXNNUJQO-UHFFFAOYSA-N 1 1 267.716 2.067 20 10 CECDMO [NH3+]CC[C@H](NCc1cccc(Cl)c1O)C(F)(F)F ZINC000841091277 639654848 /nfs/dbraw/zinc/65/48/48/639654848.db2.gz WQYCAMQCWIPOLV-VIFPVBQESA-N 1 1 282.693 2.415 20 10 CECDMO C[C@@H]([NH2+]C[C@@]1(C)CCC(=O)N1)c1ccc(Cl)cc1O ZINC000841755579 639860651 /nfs/dbraw/zinc/86/06/51/639860651.db2.gz JIVVNNRNHFUSLF-YMTOWFKASA-N 1 1 282.771 2.365 20 10 CECDMO CC1(C)C[NH2+]CCN1Cc1cccc(Br)c1O ZINC000843054460 640257782 /nfs/dbraw/zinc/25/77/82/640257782.db2.gz MSKJXFXDEISBIB-UHFFFAOYSA-N 1 1 299.212 2.339 20 10 CECDMO CN(C)c1ccc(C[N@@H+](C)Cc2ccc(N)nc2)cc1 ZINC000843059742 640262836 /nfs/dbraw/zinc/26/28/36/640262836.db2.gz RHZSETFEACNXPH-UHFFFAOYSA-N 1 1 270.380 2.362 20 10 CECDMO C[N@@H+](Cc1cccc(Br)c1[O-])C1CC([NH3+])C1 ZINC000843124793 640291255 /nfs/dbraw/zinc/29/12/55/640291255.db2.gz GSANLAOADZHNEW-UHFFFAOYSA-N 1 1 285.185 2.076 20 10 CECDMO CC(=O)c1cc(F)cc(C[N@@H+](C)CC(C)(C)C[NH3+])c1[O-] ZINC000843355236 640401311 /nfs/dbraw/zinc/40/13/11/640401311.db2.gz NQLFNGGLRICIMP-UHFFFAOYSA-N 1 1 282.359 2.151 20 10 CECDMO CC(=O)c1cc(F)cc(C[N@H+](C)CC(C)(C)C[NH3+])c1[O-] ZINC000843355236 640401315 /nfs/dbraw/zinc/40/13/15/640401315.db2.gz NQLFNGGLRICIMP-UHFFFAOYSA-N 1 1 282.359 2.151 20 10 CECDMO CCCN(C(=O)C1=CC(=O)CS1)[C@H]1CC[N@H+](C)C1 ZINC000844146949 640616166 /nfs/dbraw/zinc/61/61/66/640616166.db2.gz TVGRNMDNCZEJOZ-JTQLQIEISA-N 1 1 268.382 2.010 20 10 CECDMO CCCN(C(=O)C1=CC(=O)CS1)[C@H]1CC[N@@H+](C)C1 ZINC000844146949 640616170 /nfs/dbraw/zinc/61/61/70/640616170.db2.gz TVGRNMDNCZEJOZ-JTQLQIEISA-N 1 1 268.382 2.010 20 10 CECDMO COc1ccc(N(C)CC[N@@H+](C)Cc2ccno2)cc1 ZINC000844398755 640707328 /nfs/dbraw/zinc/70/73/28/640707328.db2.gz BLZDKHOZHIKCFX-UHFFFAOYSA-N 1 1 275.352 2.251 20 10 CECDMO COc1ccc(N(C)CC[N@@H+](C)CC[C@@H]2CCOC2)cc1 ZINC000844401897 640708720 /nfs/dbraw/zinc/70/87/20/640708720.db2.gz PPFJKDQVTLBUJA-OAHLLOKOSA-N 1 1 292.423 2.490 20 10 CECDMO CCN(CC)c1ccc(C[N@@H+](C)CCC(=O)N(C)C)cc1 ZINC000920207008 641125231 /nfs/dbraw/zinc/12/52/31/641125231.db2.gz SWGVWKHCROYGRE-UHFFFAOYSA-N 1 1 291.439 2.443 20 10 CECDMO C[NH+]1CCN(c2ccc(CN3CCC[C@@H](F)C3)cc2)CC1 ZINC000846121386 641193989 /nfs/dbraw/zinc/19/39/89/641193989.db2.gz YYZCTDUYBZNJOT-MRXNPFEDSA-N 1 1 291.414 2.372 20 10 CECDMO COc1cccc([C@@H](C)[NH2+][C@@H]2CCc3[nH]cnc3C2)c1O ZINC000846168447 641210846 /nfs/dbraw/zinc/21/08/46/641210846.db2.gz CTWQEYUAUZGJIG-GHMZBOCLSA-N 1 1 287.363 2.332 20 10 CECDMO COc1cccc([C@H](C)[NH2+]Cc2nnc(C3CC3)[nH]2)c1O ZINC000846170603 641212054 /nfs/dbraw/zinc/21/20/54/641212054.db2.gz PHUFXPWECIEKIA-VIFPVBQESA-N 1 1 288.351 2.247 20 10 CECDMO OCCCC[N@@H+](Cc1cc(F)ccc1O)C1CC1 ZINC000180149195 641418445 /nfs/dbraw/zinc/41/84/45/641418445.db2.gz DVZXCCZZWUXWMW-UHFFFAOYSA-N 1 1 253.317 2.268 20 10 CECDMO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2nccc(N)n2)c1 ZINC000846844819 641451304 /nfs/dbraw/zinc/45/13/04/641451304.db2.gz PXTYUHVOILHRTJ-NXEZZACHSA-N 1 1 288.351 2.185 20 10 CECDMO COCCCOCC[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000181520341 641562580 /nfs/dbraw/zinc/56/25/80/641562580.db2.gz QRLITTURZPOBQT-UHFFFAOYSA-N 1 1 280.412 2.238 20 10 CECDMO C[C@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2)[C@H]1CN ZINC000252173564 641575449 /nfs/dbraw/zinc/57/54/49/641575449.db2.gz OMHOTDWAVXAHRA-BBRMVZONSA-N 1 1 261.413 2.312 20 10 CECDMO C[C@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2)[C@H]1CN ZINC000252173564 641575452 /nfs/dbraw/zinc/57/54/52/641575452.db2.gz OMHOTDWAVXAHRA-BBRMVZONSA-N 1 1 261.413 2.312 20 10 CECDMO CC(C)(O)[C@@H]1CCC[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000877322419 650675226 /nfs/dbraw/zinc/67/52/26/650675226.db2.gz GJBNAHWVUFUXQS-NSHDSACASA-N 1 1 271.307 2.406 20 10 CECDMO Cc1cc(N(C)C)ccc1CNC(=O)C[NH+]1CC(C)(C)C1 ZINC000847500063 641676625 /nfs/dbraw/zinc/67/66/25/641676625.db2.gz BFJYHEROASAWSQ-UHFFFAOYSA-N 1 1 289.423 2.019 20 10 CECDMO O=C(N[C@H]1CCC[N@H+]2CCCC[C@H]12)C1=CC(=O)CS1 ZINC000848392138 641975034 /nfs/dbraw/zinc/97/50/34/641975034.db2.gz VIJOFVITTRAPGC-NWDGAFQWSA-N 1 1 280.393 2.200 20 10 CECDMO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)C1=CC(=O)CS1 ZINC000848392140 641975202 /nfs/dbraw/zinc/97/52/02/641975202.db2.gz VIJOFVITTRAPGC-VXGBXAGGSA-N 1 1 280.393 2.200 20 10 CECDMO Cc1cccc(O)c1C[N@H+]1CCN(CC(C)C)C(=O)C1 ZINC000877433523 650718888 /nfs/dbraw/zinc/71/88/88/650718888.db2.gz VTHJSDWAGKFUEM-UHFFFAOYSA-N 1 1 276.380 2.001 20 10 CECDMO Cc1cccc(O)c1C[N@@H+]1CCN(CC(C)C)C(=O)C1 ZINC000877433523 650718890 /nfs/dbraw/zinc/71/88/90/650718890.db2.gz VTHJSDWAGKFUEM-UHFFFAOYSA-N 1 1 276.380 2.001 20 10 CECDMO CCc1cccc(C[N@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)c1O ZINC000848881213 642167772 /nfs/dbraw/zinc/16/77/72/642167772.db2.gz LZQLKBTWZJPJGU-FZMZJTMJSA-N 1 1 276.380 2.040 20 10 CECDMO CCc1cccc(C[NH2+][C@@H]2CCc3cn[nH]c3C2)c1O ZINC000848897989 642177286 /nfs/dbraw/zinc/17/72/86/642177286.db2.gz NYLWPDGNHKPXOQ-CQSZACIVSA-N 1 1 271.364 2.325 20 10 CECDMO CCc1cccc(C[N@H+]2C[C@@H](C)N(C)C[C@@H]2C)c1O ZINC000848904455 642181099 /nfs/dbraw/zinc/18/10/99/642181099.db2.gz UKNUPKZUYFBHRO-OLZOCXBDSA-N 1 1 262.397 2.479 20 10 CECDMO CCc1cccc(CN2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1O ZINC000848904455 642181103 /nfs/dbraw/zinc/18/11/03/642181103.db2.gz UKNUPKZUYFBHRO-OLZOCXBDSA-N 1 1 262.397 2.479 20 10 CECDMO CCc1cccc(CN2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1O ZINC000848904455 642181105 /nfs/dbraw/zinc/18/11/05/642181105.db2.gz UKNUPKZUYFBHRO-OLZOCXBDSA-N 1 1 262.397 2.479 20 10 CECDMO CCc1cccc(C[N@H+]2CC[C@@H](C(=O)OC)[C@@H]2C)c1O ZINC000848905015 642181240 /nfs/dbraw/zinc/18/12/40/642181240.db2.gz FPZSMFCSBDODSS-SMDDNHRTSA-N 1 1 277.364 2.338 20 10 CECDMO CCc1cccc(C[N@H+]2C[C@@H](C)O[C@@]3(CCOC3)C2)c1O ZINC000848908081 642183921 /nfs/dbraw/zinc/18/39/21/642183921.db2.gz MRKSVAVDTTWLQI-DYVFJYSZSA-N 1 1 291.391 2.334 20 10 CECDMO CCc1cccc(C[N@@H+](CCOC)[C@@H]2CCOC2)c1O ZINC000848906943 642184016 /nfs/dbraw/zinc/18/40/16/642184016.db2.gz FLJMYJJLZWJKKY-OAHLLOKOSA-N 1 1 279.380 2.192 20 10 CECDMO CCc1cccc(C[N@@H+](C[C@H]2CCC(=O)N2)C(C)C)c1O ZINC000848916962 642190723 /nfs/dbraw/zinc/19/07/23/642190723.db2.gz CCDLWSDTTLGMFU-OAHLLOKOSA-N 1 1 290.407 2.444 20 10 CECDMO CCOc1ccc(O)c(C[N@@H+](C[C@H](C)O)C2CC2)c1 ZINC000848928851 642198976 /nfs/dbraw/zinc/19/89/76/642198976.db2.gz PJRZZCOJZCLZFQ-NSHDSACASA-N 1 1 265.353 2.136 20 10 CECDMO CCOc1ccc(O)c(C[N@@H+](C[C@@H](C)O)C2CC2)c1 ZINC000848928850 642199505 /nfs/dbraw/zinc/19/95/05/642199505.db2.gz PJRZZCOJZCLZFQ-LLVKDONJSA-N 1 1 265.353 2.136 20 10 CECDMO C[N@H+]1CCCC[C@@H]1C(=O)NCCCSc1nccs1 ZINC000736680739 642236110 /nfs/dbraw/zinc/23/61/10/642236110.db2.gz RXUNQAUZERHLIV-LLVKDONJSA-N 1 1 299.465 2.226 20 10 CECDMO Cc1cccc(O)c1C[N@@H+]1CC[C@@H](C)[S@@](=O)CC1 ZINC000877476272 650739688 /nfs/dbraw/zinc/73/96/88/650739688.db2.gz AALRMHOFMHEIFO-XIKOKIGWSA-N 1 1 267.394 2.044 20 10 CECDMO Cc1ccc(C[N@@H+]2C[C@H](C)O[C@@]3(CCOC3)C2)c(O)c1 ZINC000877491994 650748693 /nfs/dbraw/zinc/74/86/93/650748693.db2.gz DSZUPFDFAZHKHB-BBRMVZONSA-N 1 1 277.364 2.080 20 10 CECDMO Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@]3(CCCOC3)C2)c(O)c1 ZINC000877495550 650750545 /nfs/dbraw/zinc/75/05/45/650750545.db2.gz YLSTWCCXUIPOEA-RHSMWYFYSA-N 1 1 291.391 2.471 20 10 CECDMO C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(F)c(F)c1[O-] ZINC000877531919 650770510 /nfs/dbraw/zinc/77/05/10/650770510.db2.gz RSRUKNMUWJAFHG-GWCFXTLKSA-N 1 1 284.350 2.442 20 10 CECDMO C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(F)c(F)c1[O-] ZINC000877531919 650770514 /nfs/dbraw/zinc/77/05/14/650770514.db2.gz RSRUKNMUWJAFHG-GWCFXTLKSA-N 1 1 284.350 2.442 20 10 CECDMO C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000877531919 650770516 /nfs/dbraw/zinc/77/05/16/650770516.db2.gz RSRUKNMUWJAFHG-GWCFXTLKSA-N 1 1 284.350 2.442 20 10 CECDMO C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000877531919 650770518 /nfs/dbraw/zinc/77/05/18/650770518.db2.gz RSRUKNMUWJAFHG-GWCFXTLKSA-N 1 1 284.350 2.442 20 10 CECDMO COc1ccc(N2CC[C@H]([NH2+]Cc3cocn3)C2)cc1 ZINC000850346960 642675274 /nfs/dbraw/zinc/67/52/74/642675274.db2.gz LNIFLQNXOANGPE-LBPRGKRZSA-N 1 1 273.336 2.052 20 10 CECDMO Cc1ccc(C[N@H+]2CC[C@H](n3cccn3)C2)c(O)c1 ZINC000877544415 650779150 /nfs/dbraw/zinc/77/91/50/650779150.db2.gz PJBZGTJFOXUHTF-AWEZNQCLSA-N 1 1 257.337 2.344 20 10 CECDMO c1cn2c(n1)[C@H]([NH2+]Cc1ccc3c(c1)CCCO3)CC2 ZINC000922151880 642909100 /nfs/dbraw/zinc/90/91/00/642909100.db2.gz VYLBALRDCILEMY-CQSZACIVSA-N 1 1 269.348 2.443 20 10 CECDMO C[N@H+](Cc1ccccc1O)[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000109772811 642925790 /nfs/dbraw/zinc/92/57/90/642925790.db2.gz RSORIVLLRWYAOE-OAHLLOKOSA-N 1 1 288.322 2.190 20 10 CECDMO C[N@@H+](Cc1ccccc1O)[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000109772811 642925792 /nfs/dbraw/zinc/92/57/92/642925792.db2.gz RSORIVLLRWYAOE-OAHLLOKOSA-N 1 1 288.322 2.190 20 10 CECDMO Cc1cccc(O)c1C[N@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000877603638 650809657 /nfs/dbraw/zinc/80/96/57/650809657.db2.gz RLWMWMLIXWRSNY-ZDUSSCGKSA-N 1 1 284.363 2.177 20 10 CECDMO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)C[C@H]1CNC(=O)C1 ZINC000851732318 643132986 /nfs/dbraw/zinc/13/29/86/643132986.db2.gz NWMAGQXUMYGSJD-OAHLLOKOSA-N 1 1 289.423 2.099 20 10 CECDMO 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COc1cc(C[N@H+]2CCOCC[C@@H]2C)c(O)cc1C ZINC000774661160 646874473 /nfs/dbraw/zinc/87/44/73/646874473.db2.gz VYNGGKTYBXOQNJ-LBPRGKRZSA-N 1 1 265.353 2.320 20 10 CECDMO CC[N@H+](Cc1cc(OC)ccc1O)C[C@H]1CCOC1 ZINC000775653276 646977138 /nfs/dbraw/zinc/97/71/38/646977138.db2.gz CEVQOTHLQKZIEQ-GFCCVEGCSA-N 1 1 265.353 2.259 20 10 CECDMO CCOc1ccc(C[N@H+]2CC[C@@H](C(=O)OC)[C@H]2C)c(O)c1 ZINC000787420840 648107714 /nfs/dbraw/zinc/10/77/14/648107714.db2.gz KYLZOKDNDKSCTL-BXUZGUMPSA-N 1 1 293.363 2.174 20 10 CECDMO COC[C@H](CO)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000788804553 648225328 /nfs/dbraw/zinc/22/53/28/648225328.db2.gz IRIGGKJPLKMNEH-IUCAKERBSA-N 1 1 293.285 2.069 20 10 CECDMO CCN(C)C(=O)[C@H](C)[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000788986092 648242594 /nfs/dbraw/zinc/24/25/94/648242594.db2.gz ZOBMPRPBXZSUSL-BDAKNGLRSA-N 1 1 286.322 2.188 20 10 CECDMO C[C@H](CC[S@@](C)=O)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790976684 648467364 /nfs/dbraw/zinc/46/73/64/648467364.db2.gz LAXOSGXQYXKYGR-NTCNTBNZSA-N 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CC[C@@H]1[C@H](CO)CC[N@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000386248200 813162113 /nfs/dbraw/zinc/16/21/13/813162113.db2.gz IUGXPYFKSCWXTH-XHDPSFHLSA-N 1 1 295.354 2.327 20 10 CECDMO COCCCC[N@@H+](C)Cc1cc(OC)ccc1O ZINC000397213335 813604851 /nfs/dbraw/zinc/60/48/51/813604851.db2.gz YTMHVMWMVWVWJV-UHFFFAOYSA-N 1 1 253.342 2.259 20 10 CECDMO CN(C)c1ccc(C[N@@H+](C)Cc2ccc(O)cn2)cc1 ZINC001144262964 814006392 /nfs/dbraw/zinc/00/63/92/814006392.db2.gz KHAONHRIRRBCEN-UHFFFAOYSA-N 1 1 271.364 2.485 20 10 CECDMO CCCC[N@@H+](CC(N)=O)Cc1cccc(CC)c1O ZINC000692083759 814602862 /nfs/dbraw/zinc/60/28/62/814602862.db2.gz AFTXTMKXRXKIFW-UHFFFAOYSA-N 1 1 264.369 2.042 20 10 CECDMO COc1cccc(O)c1C[N@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC001116444088 814854080 /nfs/dbraw/zinc/85/40/80/814854080.db2.gz QDYJVIYBEUIIAG-SWLSCSKDSA-N 1 1 277.364 2.402 20 10 CECDMO [NH3+][C@H]1CC[N@H+](Cc2cc(F)cc(Cl)c2[O-])CC[C@@H]1F ZINC001206196116 815634270 /nfs/dbraw/zinc/63/42/70/815634270.db2.gz AWEZVJUOLYTFRY-RYUDHWBXSA-N 1 1 290.741 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COc1ccc(N(C)CC[N@@H+](C)CC2CCOCC2)cc1 ZINC000844401112 640708493 /nfs/dbraw/zinc/70/84/93/640708493.db2.gz KJVUCGBPYQAYSH-UHFFFAOYSA-N 1 1 292.423 2.490 20 10 CECDMO COc1ccc(N(C)CC[N@@H+](C)CCc2cn[nH]c2)cc1 ZINC000844402688 640709700 /nfs/dbraw/zinc/70/97/00/640709700.db2.gz TUEPQDUBEZGDQX-UHFFFAOYSA-N 1 1 288.395 2.029 20 10 CECDMO COC(=O)[C@@H]1C[N@@H+](Cc2cc(C)ccc2O)C[C@H]1C1CC1 ZINC000846122398 641194021 /nfs/dbraw/zinc/19/40/21/641194021.db2.gz IPHSKCYNRUDASB-LSDHHAIUSA-N 1 1 289.375 2.332 20 10 CECDMO C[C@H]([NH2+]CC[C@]1(O)CCCOC1)c1ccc(F)cc1O ZINC000846214710 641225618 /nfs/dbraw/zinc/22/56/18/641225618.db2.gz VPOZFMMSBRSPTP-XHDPSFHLSA-N 1 1 283.343 2.114 20 10 CECDMO C[C@H]1C[C@@H](C(=O)NCc2cc(Cl)ccc2O)CC[N@H+]1C ZINC000846474219 641311748 /nfs/dbraw/zinc/31/17/48/641311748.db2.gz SEYBTRMLZMOAJK-QWRGUYRKSA-N 1 1 296.798 2.392 20 10 CECDMO C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000846699932 641400978 /nfs/dbraw/zinc/40/09/78/641400978.db2.gz YHHCDUQXSWTDQQ-GZMMTYOYSA-N 1 1 299.758 2.265 20 10 CECDMO C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000846699932 641400983 /nfs/dbraw/zinc/40/09/83/641400983.db2.gz YHHCDUQXSWTDQQ-GZMMTYOYSA-N 1 1 299.758 2.265 20 10 CECDMO CCC[N@H+](Cc1ccccc1O)C[C@H]1CN(CC)C(=O)O1 ZINC000846809997 641434223 /nfs/dbraw/zinc/43/42/23/641434223.db2.gz TXAWWJPVSCDQTF-AWEZNQCLSA-N 1 1 292.379 2.445 20 10 CECDMO COc1cccc(C[N@@H+](C)Cc2cccnc2)c1O ZINC000183660821 641776077 /nfs/dbraw/zinc/77/60/77/641776077.db2.gz KMHWPPVQCITJKE-UHFFFAOYSA-N 1 1 258.321 2.428 20 10 CECDMO CC[N@H+](Cc1ccc(C)cc1O)C[C@@H](O)C(F)(F)F ZINC000877429418 650716607 /nfs/dbraw/zinc/71/66/07/650716607.db2.gz XYJBBKLTLLPQFT-GFCCVEGCSA-N 1 1 277.286 2.446 20 10 CECDMO C[C@H]([NH2+]C[C@H]1CN(C2CC2)C(=O)O1)c1ccc(F)cc1O ZINC000848569128 642057879 /nfs/dbraw/zinc/05/78/79/642057879.db2.gz CDTHTLSARJDQON-CABZTGNLSA-N 1 1 294.326 2.165 20 10 CECDMO [NH3+]C[C@H](NCc1cc(Cl)cc(F)c1O)C(F)(F)F ZINC000848714058 642109631 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ZINC000848912884 642187434 /nfs/dbraw/zinc/18/74/34/642187434.db2.gz LFVHMAWNJTWHJA-ZFWWWQNUSA-N 1 1 260.381 2.091 20 10 CECDMO CN1CCN(c2ccc(C[NH2+][C@@H]3CCSC3)cc2)CC1 ZINC000771840942 642229369 /nfs/dbraw/zinc/22/93/69/642229369.db2.gz IGRWWJXINZNFME-OAHLLOKOSA-N 1 1 291.464 2.034 20 10 CECDMO COCC[N@H+](Cc1ccnn1C)Cc1ccc(C)cc1O ZINC000877482687 650742304 /nfs/dbraw/zinc/74/23/04/650742304.db2.gz MNQAUPBUMFHNAW-UHFFFAOYSA-N 1 1 289.379 2.083 20 10 CECDMO COCC[N@@H+](Cc1ccnn1C)Cc1ccc(C)cc1O ZINC000877482687 650742311 /nfs/dbraw/zinc/74/23/11/650742311.db2.gz MNQAUPBUMFHNAW-UHFFFAOYSA-N 1 1 289.379 2.083 20 10 CECDMO Cc1cccc(O)c1C[N@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000877505148 650755675 /nfs/dbraw/zinc/75/56/75/650755675.db2.gz XMUPYHGCBFSQSN-ZDUSSCGKSA-N 1 1 298.390 2.452 20 10 CECDMO Cc1cccc(O)c1C[N@H+]1CC[C@@]2(CCN(C)C2)C1 ZINC000877545964 650780074 /nfs/dbraw/zinc/78/00/74/650780074.db2.gz NDHJRPZMJWXDPI-MRXNPFEDSA-N 1 1 260.381 2.228 20 10 CECDMO Cc1cccc(O)c1C[N@@H+]1CC[C@@]2(CCN(C)C2)C1 ZINC000877545964 650780077 /nfs/dbraw/zinc/78/00/77/650780077.db2.gz NDHJRPZMJWXDPI-MRXNPFEDSA-N 1 1 260.381 2.228 20 10 CECDMO Cc1ccc(C[N@H+]2CC[S@@](=O)C(C)(C)CC2)c(O)c1 ZINC000877569963 650794148 /nfs/dbraw/zinc/79/41/48/650794148.db2.gz BMXFMEZURFZFAY-LJQANCHMSA-N 1 1 281.421 2.434 20 10 CECDMO c1nc2c([nH]1)CC[C@@H]([NH2+]Cc1ccc3c(c1)CCCO3)C2 ZINC000922140251 642902071 /nfs/dbraw/zinc/90/20/71/642902071.db2.gz VIETYSGFMXPGIU-CQSZACIVSA-N 1 1 283.375 2.382 20 10 CECDMO C[N@H+](Cc1ccccc1O)[C@H](C(N)=O)c1ccc(F)cc1 ZINC000109772808 642925862 /nfs/dbraw/zinc/92/58/62/642925862.db2.gz RSORIVLLRWYAOE-HNNXBMFYSA-N 1 1 288.322 2.190 20 10 CECDMO C[N@@H+](Cc1ccccc1O)[C@H](C(N)=O)c1ccc(F)cc1 ZINC000109772808 642925864 /nfs/dbraw/zinc/92/58/64/642925864.db2.gz RSORIVLLRWYAOE-HNNXBMFYSA-N 1 1 288.322 2.190 20 10 CECDMO Cc1cccc(O)c1C[N@@H+]1CCC[C@H]2CN(C)C[C@H]21 ZINC000877598494 650807917 /nfs/dbraw/zinc/80/79/17/650807917.db2.gz GTTTYDWJBXRLPC-DZGCQCFKSA-N 1 1 260.381 2.227 20 10 CECDMO Cc1cc(Br)c(O)c(C[NH2+]C[C@H]2CCN2C)c1 ZINC000922575981 643135289 /nfs/dbraw/zinc/13/52/89/643135289.db2.gz IXCOGMGXQBSQQI-LLVKDONJSA-N 1 1 299.212 2.257 20 10 CECDMO CCC[N@@H+](Cc1ccccc1O)[C@@H]1CCN(CC)C1=O ZINC000851792413 643164197 /nfs/dbraw/zinc/16/41/97/643164197.db2.gz OGEPNHIDFLPZJM-CQSZACIVSA-N 1 1 276.380 2.225 20 10 CECDMO COc1cc(C[NH2+]Cc2cc(Cl)cc(OC)c2O)on1 ZINC000877635399 650826853 /nfs/dbraw/zinc/82/68/53/650826853.db2.gz PRWWECPXXVFMAU-UHFFFAOYSA-N 1 1 298.726 2.341 20 10 CECDMO CC(=O)c1cc(Cl)cc(C[NH2+][C@H](CO)C2CCC2)c1O ZINC000852321080 643394130 /nfs/dbraw/zinc/39/41/30/643394130.db2.gz QWKZABGQSVUIFP-CQSZACIVSA-N 1 1 297.782 2.499 20 10 CECDMO Cc1cc(C)c(O)c(C[N@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)c1 ZINC000853554669 643811862 /nfs/dbraw/zinc/81/18/62/643811862.db2.gz BZTJFXHPTFKPNY-DZGCQCFKSA-N 1 1 288.391 2.110 20 10 CECDMO C[C@]12COC[C@H]1C[N@@H+](Cc1c(O)ccc3ccncc31)C2 ZINC000853566079 643814587 /nfs/dbraw/zinc/81/45/87/643814587.db2.gz LGQRRMNXTSTPQM-DYVFJYSZSA-N 1 1 284.359 2.409 20 10 CECDMO COc1cc(C)cc(C[N@H+]2CC[C@H]3COC[C@@H]3C2)c1O ZINC000853585393 643823938 /nfs/dbraw/zinc/82/39/38/643823938.db2.gz GVYRBWOFWZOGHF-JSGCOSHPSA-N 1 1 277.364 2.178 20 10 CECDMO CCOc1ccc(O)c(CN2CC[C@H]3[C@H](CC[N@H+]3C)C2)c1 ZINC000877743569 650888356 /nfs/dbraw/zinc/88/83/56/650888356.db2.gz LDWKPFMVCQBOQU-CJNGLKHVSA-N 1 1 290.407 2.317 20 10 CECDMO Oc1ccccc1C[N@@H+](C[C@H](O)C1CC1)C[C@@H]1CCCO1 ZINC000838894865 644072893 /nfs/dbraw/zinc/07/28/93/644072893.db2.gz KNQPFHMZSYEWHP-RDJZCZTQSA-N 1 1 291.391 2.144 20 10 CECDMO CC(C)C1(O)C[NH+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000839132796 644169495 /nfs/dbraw/zinc/16/94/95/644169495.db2.gz FQGZRRAITVCKNC-WAYWQWQTSA-N 1 1 274.408 2.469 20 10 CECDMO C[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)CCS1 ZINC000754872655 644444939 /nfs/dbraw/zinc/44/49/39/644444939.db2.gz OBGCQBJWNZYXLB-QMTHXVAHSA-N 1 1 295.404 2.145 20 10 CECDMO 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290.407 2.461 20 10 CECDMO COc1cccc(O)c1C[N@H+]1CCC[C@H]1CN1CCCC1 ZINC000769143942 646215076 /nfs/dbraw/zinc/21/50/76/646215076.db2.gz DKJPRGULPBNCNJ-AWEZNQCLSA-N 1 1 290.407 2.461 20 10 CECDMO CCOc1ccc(C[N@H+]2CC[C@H](COC)C2)c(O)c1 ZINC000769398089 646259764 /nfs/dbraw/zinc/25/97/64/646259764.db2.gz FXUYEJKWUDKFMX-LBPRGKRZSA-N 1 1 265.353 2.259 20 10 CECDMO CCc1cccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c1O ZINC000862526469 646483890 /nfs/dbraw/zinc/48/38/90/646483890.db2.gz BKOSWHNIVMHMHZ-QEEYODRMSA-N 1 1 293.432 2.440 20 10 CECDMO CN1CCN(c2ccc(C[NH2+]C3CCCC3)cc2)CC1 ZINC000771815457 646554777 /nfs/dbraw/zinc/55/47/77/646554777.db2.gz CQBIJQTUHWSMFV-UHFFFAOYSA-N 1 1 273.424 2.471 20 10 CECDMO C[N@@H+](Cc1cccc(O)c1)Cc1cc2c(cc1O)OCO2 ZINC000771935797 646573096 /nfs/dbraw/zinc/57/30/96/646573096.db2.gz YAPCZYYUGMPRFM-UHFFFAOYSA-N 1 1 287.315 2.459 20 10 CECDMO C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)c1ccc(N(C)C)cc1 ZINC000773021716 646697088 /nfs/dbraw/zinc/69/70/88/646697088.db2.gz 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CC[C@H]1C[N@@H+](Cc2ccc(N3CCCC3)cc2)C[C@@H]1O ZINC001116448815 808815407 /nfs/dbraw/zinc/81/54/07/808815407.db2.gz GEHKPYBZOSLKRP-RDJZCZTQSA-N 1 1 274.408 2.490 20 10 CECDMO CN(C)c1ccc(C[N@H+]2CC[C@@H](N)[C@@H](F)CC2)cc1 ZINC001206157431 815312471 /nfs/dbraw/zinc/31/24/71/815312471.db2.gz YPFCEPUCAVHXBT-LSDHHAIUSA-N 1 1 265.376 2.014 20 10 CECDMO CN(C)c1ccc(CN2CC[C@@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001206157431 815312475 /nfs/dbraw/zinc/31/24/75/815312475.db2.gz YPFCEPUCAVHXBT-LSDHHAIUSA-N 1 1 265.376 2.014 20 10 CECDMO CCC(O)(CC)C[NH2+]Cc1cc(F)cc(F)c1O ZINC000708445730 809931261 /nfs/dbraw/zinc/93/12/61/809931261.db2.gz XJAQJHFZZBVSGX-UHFFFAOYSA-N 1 1 259.296 2.311 20 10 CECDMO Oc1c(F)cc(F)cc1C[NH2+][C@@H]1CCCC[C@H]1O ZINC000708410225 809929524 /nfs/dbraw/zinc/92/95/24/809929524.db2.gz VSNPBZPHGBNJSE-VXGBXAGGSA-N 1 1 257.280 2.064 20 10 CECDMO COCCOCCCC[NH2+]Cc1cc(F)cc(F)c1O ZINC000708408015 809930361 /nfs/dbraw/zinc/93/03/61/809930361.db2.gz BSHMEJAFBZEUDR-UHFFFAOYSA-N 1 1 289.322 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COC(=O)[C@]1(F)CC[N@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC000840923346 639587007 /nfs/dbraw/zinc/58/70/07/639587007.db2.gz SSISMDZDUIGWLC-INIZCTEOSA-N 1 1 294.370 2.148 20 10 CECDMO COC(=O)[C@]1(F)CC[N@@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC000840923346 639587015 /nfs/dbraw/zinc/58/70/15/639587015.db2.gz SSISMDZDUIGWLC-INIZCTEOSA-N 1 1 294.370 2.148 20 10 CECDMO CCN(CC)c1ccc(C[N@@H+]2CCO[C@@H]([C@@H](C)O)C2)cc1 ZINC000840978904 639608230 /nfs/dbraw/zinc/60/82/30/639608230.db2.gz XAXVTOBCWGPGKA-RHSMWYFYSA-N 1 1 292.423 2.114 20 10 CECDMO CCN(CC)c1ccc(C[N@H+]2CCO[C@@H]([C@@H](C)O)C2)cc1 ZINC000840978904 639608233 /nfs/dbraw/zinc/60/82/33/639608233.db2.gz XAXVTOBCWGPGKA-RHSMWYFYSA-N 1 1 292.423 2.114 20 10 CECDMO COc1ccc(N2CCC([NH2+]C[C@H](N)C(C)C)CC2)cc1 ZINC000841029102 639621238 /nfs/dbraw/zinc/62/12/38/639621238.db2.gz GHTQUGXKZIKIIT-KRWDZBQOSA-N 1 1 291.439 2.237 20 10 CECDMO CCOc1ccc(C[NH2+]C[C@@H]2CCCCN2)c(O)c1 ZINC000841033621 639627036 /nfs/dbraw/zinc/62/70/36/639627036.db2.gz XXIJLLUYCWBVPJ-ZDUSSCGKSA-N 1 1 264.369 2.023 20 10 CECDMO Cc1ncccc1C[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000841043347 639630172 /nfs/dbraw/zinc/63/01/72/639630172.db2.gz OASZZPLVPHMHOL-QGZVFWFLSA-N 1 1 284.407 2.246 20 10 CECDMO CN(C)c1ccc([C@@H](N)C[NH2+]Cc2cccc(O)c2)cc1 ZINC000841044626 639631036 /nfs/dbraw/zinc/63/10/36/639631036.db2.gz XBDIDGMPJYJQPD-KRWDZBQOSA-N 1 1 285.391 2.248 20 10 CECDMO Cc1cc(Cl)cc(CNCC2([NH3+])CCC2)c1O ZINC000841049122 639632170 /nfs/dbraw/zinc/63/21/70/639632170.db2.gz NIWDMHUJCBAZRB-UHFFFAOYSA-N 1 1 254.761 2.325 20 10 CECDMO [O-]c1ccc(Cl)cc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000841058876 639636451 /nfs/dbraw/zinc/63/64/51/639636451.db2.gz WSWCAFCNOICFFD-LBPRGKRZSA-N 1 1 254.761 2.277 20 10 CECDMO CCN(CC)c1ccc(C[NH2+]C[C@@H]2C[C@H](F)CN2)cc1F ZINC000841079653 639648600 /nfs/dbraw/zinc/64/86/00/639648600.db2.gz OANRWYLLTBKKEI-KBPBESRZSA-N 1 1 297.393 2.462 20 10 CECDMO Oc1ccc(Cl)c(F)c1CN[C@H]1CCCC[NH2+]C1 ZINC000841090185 639653892 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C[C@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])CC[C@H]1[NH3+] ZINC000843052028 640254915 /nfs/dbraw/zinc/25/49/15/640254915.db2.gz OROTUMJYBITVGJ-JOYOIKCWSA-N 1 1 254.761 2.215 20 10 CECDMO C[NH2+]C[C@H]1CCCN1Cc1c(O)ccc(Cl)c1F ZINC000843055240 640257813 /nfs/dbraw/zinc/25/78/13/640257813.db2.gz HKLBQAZFLAPCBQ-SECBINFHSA-N 1 1 272.751 2.369 20 10 CECDMO CN(C)c1ccc(/C=C\CN2CC[C@](C)(C[NH3+])C2)cc1 ZINC000843114956 640285364 /nfs/dbraw/zinc/28/53/64/640285364.db2.gz LRKVVJNXSOHJTF-VGOKWCNXSA-N 1 1 273.424 2.437 20 10 CECDMO Oc1c(F)cccc1C[NH2+][C@H]1COC[C@H]1C1CC1 ZINC000914435439 640406705 /nfs/dbraw/zinc/40/67/05/640406705.db2.gz DHIWVWATGCQZNV-AAEUAGOBSA-N 1 1 251.301 2.046 20 10 CECDMO CCCCC[N@@H+](CC(N)=O)Cc1ccc(C)cc1O ZINC000877181338 650613710 /nfs/dbraw/zinc/61/37/10/650613710.db2.gz APJFLNUOBOWVIQ-UHFFFAOYSA-N 1 1 264.369 2.178 20 10 CECDMO CCC[N@@H+](CC(=O)NCc1ccc(N(C)C)cc1)C(C)C ZINC000847032250 641538778 /nfs/dbraw/zinc/53/87/78/641538778.db2.gz JWLWAMYXLIOJQL-UHFFFAOYSA-N 1 1 291.439 2.489 20 10 CECDMO C[C@@H](CCS(C)(=O)=O)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000185790623 642029404 /nfs/dbraw/zinc/02/94/04/642029404.db2.gz DBHUPHHFCCJRHJ-UWVGGRQHSA-N 1 1 289.372 2.005 20 10 CECDMO CCc1cccc(C[N@H+]2C[C@H](C)N(C)C[C@@H]2C)c1O ZINC000848904457 642181926 /nfs/dbraw/zinc/18/19/26/642181926.db2.gz UKNUPKZUYFBHRO-STQMWFEESA-N 1 1 262.397 2.479 20 10 CECDMO CCc1cccc(CN2C[C@H](C)[N@H+](C)C[C@@H]2C)c1O ZINC000848904457 642181929 /nfs/dbraw/zinc/18/19/29/642181929.db2.gz UKNUPKZUYFBHRO-STQMWFEESA-N 1 1 262.397 2.479 20 10 CECDMO CCc1cccc(CN2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1O ZINC000848904457 642181934 /nfs/dbraw/zinc/18/19/34/642181934.db2.gz UKNUPKZUYFBHRO-STQMWFEESA-N 1 1 262.397 2.479 20 10 CECDMO CCc1cccc(C[N@H+]2CC[C@H](C)[S@](=O)CC2)c1O ZINC000848905699 642183099 /nfs/dbraw/zinc/18/30/99/642183099.db2.gz LFHNILJNSCQYHG-HXPMCKFVSA-N 1 1 281.421 2.298 20 10 CECDMO CCc1cccc(C[N@H+]2CC[C@@H]3CN(C)C[C@H]32)c1O ZINC000848912883 642187194 /nfs/dbraw/zinc/18/71/94/642187194.db2.gz LFVHMAWNJTWHJA-UKRRQHHQSA-N 1 1 260.381 2.091 20 10 CECDMO CCc1cccc(C[N@@H+](C)C2CCN(OC)CC2)c1O ZINC000848914114 642188934 /nfs/dbraw/zinc/18/89/34/642188934.db2.gz DTOVWRDTQWFCPH-UHFFFAOYSA-N 1 1 278.396 2.412 20 10 CECDMO COc1cc(Cl)cc(C[N@@H+](C[C@H](C)O)C2CC2)c1O ZINC000848929458 642199206 /nfs/dbraw/zinc/19/92/06/642199206.db2.gz XAZQGQVMFGMLGV-VIFPVBQESA-N 1 1 285.771 2.399 20 10 CECDMO C[C@@H](O)C[N@@H+](Cc1ccc(N(C)C)c(F)c1)C1CC1 ZINC000848928456 642199458 /nfs/dbraw/zinc/19/94/58/642199458.db2.gz DUQJCIBEVUSGHG-LLVKDONJSA-N 1 1 266.360 2.237 20 10 CECDMO Cc1noc(C(C)(C)[NH2+]Cc2ccc(C)cc2O)n1 ZINC000877507867 650757337 /nfs/dbraw/zinc/75/73/37/650757337.db2.gz OBPWEBQKDBZOGE-UHFFFAOYSA-N 1 1 261.325 2.417 20 10 CECDMO Cc1c[nH]c(C[NH2+]Cc2ccc(N(C)C)cc2C)n1 ZINC000850138463 642592508 /nfs/dbraw/zinc/59/25/08/642592508.db2.gz FRNLMEUTKUJBFG-UHFFFAOYSA-N 1 1 258.369 2.382 20 10 CECDMO Cc1cccc(O)c1C[N@H+]1CC[C@H](C(=O)N2CCCC2)C1 ZINC000877529631 650769729 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632958043 /nfs/dbraw/zinc/95/80/43/632958043.db2.gz YCMUJGJOYCDKON-MRXNPFEDSA-N 1 1 262.397 2.408 20 10 CECDMO COCC[N@@H+](Cc1ccc(N(C)C)c(C)c1)[C@@H]1CCOC1 ZINC000815104333 632960461 /nfs/dbraw/zinc/96/04/61/632960461.db2.gz IDUVJEHEXDAZPJ-MRXNPFEDSA-N 1 1 292.423 2.298 20 10 CECDMO OC[C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816499497 633402145 /nfs/dbraw/zinc/40/21/45/633402145.db2.gz RXDFGCBTYBLITR-GFCCVEGCSA-N 1 1 257.333 2.360 20 10 CECDMO Oc1cc(F)c(Cl)cc1C[NH2+]C[C@H]1CCC[C@@H]1O ZINC000816555200 633412313 /nfs/dbraw/zinc/41/23/13/633412313.db2.gz XBGRRIDQDQULQR-PELKAZGASA-N 1 1 273.735 2.435 20 10 CECDMO O=C1C[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2O)CN1C1CC1 ZINC000816562960 633413076 /nfs/dbraw/zinc/41/30/76/633413076.db2.gz FVHVHNGYHZWZTG-SECBINFHSA-N 1 1 298.745 2.038 20 10 CECDMO C[C@H](CC[NH2+]Cc1cc(Cl)c(F)cc1O)[S@](C)=O ZINC000816563505 633413121 /nfs/dbraw/zinc/41/31/21/633413121.db2.gz AHGFXELOWQTGDZ-CVJBHZAOSA-N 1 1 293.791 2.431 20 10 CECDMO OC[C@@H](CC(F)F)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816591823 633418539 /nfs/dbraw/zinc/41/85/39/633418539.db2.gz OVCVFKKCXTYVTK-SSDOTTSWSA-N 1 1 283.677 2.290 20 10 CECDMO Oc1c(C[N@H+]2C[C@@H]3COC[C@H](C2)O3)ccc2ccccc21 ZINC000816601007 633421007 /nfs/dbraw/zinc/42/10/07/633421007.db2.gz OHYYLRGVONREAL-GASCZTMLSA-N 1 1 285.343 2.145 20 10 CECDMO COc1ccc(O)c(C[N@H+]2CC[C@@H](O)C23CCCC3)c1 ZINC000816630854 633453195 /nfs/dbraw/zinc/45/31/95/633453195.db2.gz UWLBWIKXQKBSOJ-OAHLLOKOSA-N 1 1 277.364 2.280 20 10 CECDMO CCOc1cccc(C[N@H+]2C[C@H](C)C[C@H](CO)C2)c1O ZINC000817413144 633651538 /nfs/dbraw/zinc/65/15/38/633651538.db2.gz USJZTTXQUZTGMT-OLZOCXBDSA-N 1 1 279.380 2.241 20 10 CECDMO C[C@H]1CC[NH2+]CC[C@H]1NCc1ccc(N(C)C)c(F)c1 ZINC000817900635 633761698 /nfs/dbraw/zinc/76/16/98/633761698.db2.gz PCNBIEYBQFFDSV-SWLSCSKDSA-N 1 1 279.403 2.369 20 10 CECDMO CC[C@H](NCC[NH2+]CCOC)c1cc(Cl)ccc1O ZINC000817965502 633806736 /nfs/dbraw/zinc/80/67/36/633806736.db2.gz VUUURQOGQICLMV-ZDUSSCGKSA-N 1 1 286.803 2.322 20 10 CECDMO Cc1cc(Cl)cc([C@@H](C)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c1O ZINC000817977121 633820468 /nfs/dbraw/zinc/82/04/68/633820468.db2.gz BRRXUFYVPBUSTP-KMLBCRHOSA-N 1 1 266.772 2.222 20 10 CECDMO CCOC(=O)C[N@@H+](Cc1ccccc1O)C[C@@H]1C[C@H]1C ZINC000822511541 634933763 /nfs/dbraw/zinc/93/37/63/634933763.db2.gz HWTSRFFOBRCTFT-OCCSQVGLSA-N 1 1 277.364 2.413 20 10 CECDMO CCOC(=O)C[N@H+](Cc1ccccc1O)C[C@@H]1C[C@H]1C ZINC000822511541 634933768 /nfs/dbraw/zinc/93/37/68/634933768.db2.gz HWTSRFFOBRCTFT-OCCSQVGLSA-N 1 1 277.364 2.413 20 10 CECDMO C[C@@H]([NH2+]Cc1cnc2n1CCOC2)c1c(O)cccc1F ZINC000903421481 635122993 /nfs/dbraw/zinc/12/29/93/635122993.db2.gz UMGQOOGYNJYGLV-SNVBAGLBSA-N 1 1 291.326 2.109 20 10 CECDMO CCOCc1cc(CNC[C@@H]2C[NH2+]C[C@H]2C)ccc1OC ZINC000903964660 635398494 /nfs/dbraw/zinc/39/84/94/635398494.db2.gz NPIOASSKFPPXNV-CJNGLKHVSA-N 1 1 292.423 2.177 20 10 CECDMO Cc1cc(O)c(CNC[C@@H]2C[NH2+]C[C@H]2C)c(Cl)c1 ZINC000903967413 635401109 /nfs/dbraw/zinc/40/11/09/635401109.db2.gz JGODWNVXGYFUQP-MNOVXSKESA-N 1 1 268.788 2.299 20 10 CECDMO Cc1cc([O-])c(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)c(Cl)c1 ZINC000903967413 635401113 /nfs/dbraw/zinc/40/11/13/635401113.db2.gz JGODWNVXGYFUQP-MNOVXSKESA-N 1 1 268.788 2.299 20 10 CECDMO CO[C@H]1CC[N@@H+](Cc2cc3c(cc2O)OCO3)CC1(C)C ZINC000824820713 635505005 /nfs/dbraw/zinc/50/50/05/635505005.db2.gz KYSCBRVQDATXPQ-HNNXBMFYSA-N 1 1 293.363 2.368 20 10 CECDMO CO[C@@H]1CC[N@@H+](Cc2cc(F)ccc2O)C[C@@H]1C ZINC000824815476 635505112 /nfs/dbraw/zinc/50/51/12/635505112.db2.gz QJLCUNZDLJELPH-IINYFYTJSA-N 1 1 253.317 2.388 20 10 CECDMO Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](O)[C@H]2C)c1O ZINC000825104463 635570079 /nfs/dbraw/zinc/57/00/79/635570079.db2.gz XNMRXRXOQXEKAD-BXKDBHETSA-N 1 1 255.745 2.309 20 10 CECDMO [NH3+]CC[C@H]1CC[N@@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000904405806 635612237 /nfs/dbraw/zinc/61/22/37/635612237.db2.gz PTWGAQFCZWSIDS-VIFPVBQESA-N 1 1 272.751 2.355 20 10 CECDMO CN(C)c1ccc(/C=C\CN2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000904420545 635631024 /nfs/dbraw/zinc/63/10/24/635631024.db2.gz SEMQXNXYUKESRM-OPCNFVSTSA-N 1 1 285.435 2.307 20 10 CECDMO Oc1c(F)cccc1C[N@@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000827151772 636237183 /nfs/dbraw/zinc/23/71/83/636237183.db2.gz JKSZLDYUIHPXHS-HNNXBMFYSA-N 1 1 265.328 2.268 20 10 CECDMO Oc1c(F)cccc1C[N@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000827151772 636237190 /nfs/dbraw/zinc/23/71/90/636237190.db2.gz JKSZLDYUIHPXHS-HNNXBMFYSA-N 1 1 265.328 2.268 20 10 CECDMO COc1cccc(O)c1C[N@H+]1CCC[C@](O)(C2CC2)C1 ZINC000827151753 636237331 /nfs/dbraw/zinc/23/73/31/636237331.db2.gz IZZNVUQSEZQZRZ-MRXNPFEDSA-N 1 1 277.364 2.138 20 10 CECDMO CCOc1ccc(C[N@H+]2C[C@@H](C)[C@](C)(CO)C2)c(O)c1 ZINC000827699585 636397728 /nfs/dbraw/zinc/39/77/28/636397728.db2.gz JITRWYPCKSVLPW-WBMJQRKESA-N 1 1 279.380 2.241 20 10 CECDMO Cc1cc(C)c(O)c(C[N@H+]2CC[C@@H](C3OCCO3)C2)c1 ZINC000905694828 636405999 /nfs/dbraw/zinc/40/59/99/636405999.db2.gz JINHKXWOROHPNC-CYBMUJFWSA-N 1 1 277.364 2.204 20 10 CECDMO COc1cc(Cl)cc(C[N@@H+](C)C2(CO)CCC2)c1O ZINC000827903561 636456161 /nfs/dbraw/zinc/45/61/61/636456161.db2.gz KANBQKWZZVELRA-UHFFFAOYSA-N 1 1 285.771 2.401 20 10 CECDMO C[C@@H](NC(=O)C[N@@H+](C)[C@@H]1CCSC1)c1ccccc1O ZINC000827941707 636465498 /nfs/dbraw/zinc/46/54/98/636465498.db2.gz WWDQULZGVCACOF-VXGBXAGGSA-N 1 1 294.420 2.007 20 10 CECDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C2=CC(=O)CS2)C1 ZINC000830576308 637103855 /nfs/dbraw/zinc/10/38/55/637103855.db2.gz FNFRTROAAUSVRR-ZYHUDNBSSA-N 1 1 280.393 2.010 20 10 CECDMO COC(=O)[C@@H]1CCC[N@@H+](Cc2c(C)cccc2O)C1 ZINC000876556629 650324924 /nfs/dbraw/zinc/32/49/24/650324924.db2.gz VGQSCSISLFDTLS-GFCCVEGCSA-N 1 1 263.337 2.086 20 10 CECDMO Cc1ccc(C[N@@H+](C)C[C@@H]2CCCN(C)C2)c(O)c1 ZINC000876597166 650352495 /nfs/dbraw/zinc/35/24/95/650352495.db2.gz LYIHNLIJBVYPBH-CQSZACIVSA-N 1 1 262.397 2.474 20 10 CECDMO Cc1ccc(C[N@H+](C)C[C@@H]2CCCN(C)C2)c(O)c1 ZINC000876597166 650352497 /nfs/dbraw/zinc/35/24/97/650352497.db2.gz LYIHNLIJBVYPBH-CQSZACIVSA-N 1 1 262.397 2.474 20 10 CECDMO [O-]c1c(F)cccc1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000841088342 637701674 /nfs/dbraw/zinc/70/16/74/637701674.db2.gz VCEBBHIKFXNPRG-IUODEOHRSA-N 1 1 278.371 2.495 20 10 CECDMO CC[C@@H]([NH2+]C[C@@]1(C)CCC(=O)N1)c1ccc(F)cc1O ZINC000834910777 637985992 /nfs/dbraw/zinc/98/59/92/637985992.db2.gz ZISBENQQKWHHET-IUODEOHRSA-N 1 1 280.343 2.241 20 10 CECDMO C[C@H]1COCC[N@@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC000835024723 638028737 /nfs/dbraw/zinc/02/87/37/638028737.db2.gz BTYYSCKGGKRRBE-NNTXTVRGSA-N 1 1 260.381 2.487 20 10 CECDMO C[C@H]1COCC[N@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC000835024723 638028741 /nfs/dbraw/zinc/02/87/41/638028741.db2.gz BTYYSCKGGKRRBE-NNTXTVRGSA-N 1 1 260.381 2.487 20 10 CECDMO CN(C)c1ccc(/C=C/C[N@H+]2CCCOCC2)cc1 ZINC000835026445 638029371 /nfs/dbraw/zinc/02/93/71/638029371.db2.gz WOJNDLHXTLYVAP-HWKANZROSA-N 1 1 260.381 2.488 20 10 CECDMO C[C@@H]1C[N@@H+](C/C=C/c2ccc(N(C)C)cc2)CC[C@H]1O ZINC000835044876 638036675 /nfs/dbraw/zinc/03/66/75/638036675.db2.gz ACYOOHDDHUCNOS-XUOJHOASSA-N 1 1 274.408 2.469 20 10 CECDMO CC[C@H](CO)[N@@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835055054 638040701 /nfs/dbraw/zinc/04/07/01/638040701.db2.gz PNFQKZAEWXZLEZ-IDTUSYRASA-N 1 1 262.397 2.469 20 10 CECDMO CCc1nnc(C[NH2+]CC=Cc2ccc(N(C)C)cc2)[nH]1 ZINC000835054313 638041325 /nfs/dbraw/zinc/04/13/25/638041325.db2.gz JNYFGDLDVALJBK-AATRIKPKSA-N 1 1 285.395 2.236 20 10 CECDMO Cc1cccc(O)c1C[N@@H+]1CCC[C@H]1c1nncn1C ZINC000876780675 650428979 /nfs/dbraw/zinc/42/89/79/650428979.db2.gz ICRQWWPWJQDUGU-ZDUSSCGKSA-N 1 1 272.352 2.166 20 10 CECDMO Cc1ccc(C[N@H+]2CCS[C@@H]3COCC[C@@H]32)c(O)c1 ZINC000876798825 650437711 /nfs/dbraw/zinc/43/77/11/650437711.db2.gz PSIJXIXWHNBZDC-DZGCQCFKSA-N 1 1 279.405 2.407 20 10 CECDMO CC(=O)NC[C@H]1CCC[N@@H+](Cc2cc(C)cc(C)c2O)C1 ZINC000164218956 639354912 /nfs/dbraw/zinc/35/49/12/639354912.db2.gz OAAHIKFQYUAEDW-OAHLLOKOSA-N 1 1 290.407 2.357 20 10 CECDMO COc1cc(C)cc(C[N@H+]2CCO[C@@H](C)[C@@H]2C)c1O ZINC000164514312 639379072 /nfs/dbraw/zinc/37/90/72/639379072.db2.gz FZWILPTWZGDSNB-RYUDHWBXSA-N 1 1 265.353 2.318 20 10 CECDMO COC(=O)C(C)(C)[N@H+](C)Cc1ccc(N(C)C)cc1C ZINC000840915601 639583995 /nfs/dbraw/zinc/58/39/95/639583995.db2.gz KDUNLYLBBBULTP-UHFFFAOYSA-N 1 1 278.396 2.444 20 10 CECDMO COC(=O)C(C)(C)[N@@H+](C)Cc1ccc(N(C)C)cc1C ZINC000840915601 639583999 /nfs/dbraw/zinc/58/39/99/639583999.db2.gz KDUNLYLBBBULTP-UHFFFAOYSA-N 1 1 278.396 2.444 20 10 CECDMO C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc(N)cc3)CC[C@H]21 ZINC000227341271 639586020 /nfs/dbraw/zinc/58/60/20/639586020.db2.gz SHQWCRYRQKEMHE-IUODEOHRSA-N 1 1 288.395 2.217 20 10 CECDMO Cc1cc(O)c(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c(Cl)c1 ZINC000840941312 639593602 /nfs/dbraw/zinc/59/36/02/639593602.db2.gz WGDBJKZMNTXDOP-TXEJJXNPSA-N 1 1 280.799 2.347 20 10 CECDMO Cc1nonc1C[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840949274 639597646 /nfs/dbraw/zinc/59/76/46/639597646.db2.gz SXEUQXSXWWFFAM-UHFFFAOYSA-N 1 1 260.341 2.042 20 10 CECDMO COC[C@]1(CO)CC[N@@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000840951781 639599003 /nfs/dbraw/zinc/59/90/03/639599003.db2.gz KAZNWXPFZLGUCA-OAHLLOKOSA-N 1 1 299.798 2.185 20 10 CECDMO COc1ccc(O)c(C[N@H+]2CCO[C@H](C3CCC3)C2)c1 ZINC000840954127 639599250 /nfs/dbraw/zinc/59/92/50/639599250.db2.gz GWOYMIZGMFFRQM-INIZCTEOSA-N 1 1 277.364 2.402 20 10 CECDMO COc1cccc(C[N@H+]2CCCc3c(cnn3C)C2)c1O ZINC000840954658 639600545 /nfs/dbraw/zinc/60/05/45/639600545.db2.gz LZGPQMGEZORBCH-UHFFFAOYSA-N 1 1 287.363 2.083 20 10 CECDMO Cc1ccc(O)c(C[N@H+](C[C@H]2CCC(=O)N2)C(C)C)c1 ZINC000840977184 639607743 /nfs/dbraw/zinc/60/77/43/639607743.db2.gz UGPMURABCIDVDJ-CQSZACIVSA-N 1 1 276.380 2.190 20 10 CECDMO CN(C)c1ccc(/C=C/CNC2CC[NH2+]CC2)cc1 ZINC000841028489 639621106 /nfs/dbraw/zinc/62/11/06/639621106.db2.gz HKRHFUAXCPSOHI-ONEGZZNKSA-N 1 1 259.397 2.107 20 10 CECDMO CCCC[C@@H](CN)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000841029810 639622303 /nfs/dbraw/zinc/62/23/03/639622303.db2.gz SKZDWKZEOCDTGF-ZDUSSCGKSA-N 1 1 267.392 2.499 20 10 CECDMO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CNCC[C@H]1C ZINC000841059735 639636619 /nfs/dbraw/zinc/63/66/19/639636619.db2.gz WIWRZHAOFBMBNS-WBMJQRKESA-N 1 1 261.413 2.149 20 10 CECDMO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCCN[C@@H]1C ZINC000841063147 639638105 /nfs/dbraw/zinc/63/81/05/639638105.db2.gz IWFXHLGXXHBPLH-CJNGLKHVSA-N 1 1 261.413 2.291 20 10 CECDMO C[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2[O-])CC[NH2+]1 ZINC000841062825 639638234 /nfs/dbraw/zinc/63/82/34/639638234.db2.gz YBAQWEMDUFOMEY-SKDRFNHKSA-N 1 1 299.212 2.385 20 10 CECDMO Cc1cc(N(C)C)ccc1CN[C@H]1CC[NH2+]C[C@H]1C ZINC000841064641 639639708 /nfs/dbraw/zinc/63/97/08/639639708.db2.gz RQXMBGDGNGCNPK-CJNGLKHVSA-N 1 1 261.413 2.149 20 10 CECDMO CCOc1ccc(O)c(C[NH2+][C@@H]2CCCN[C@@H]2C)c1 ZINC000841065683 639640711 /nfs/dbraw/zinc/64/07/11/639640711.db2.gz SUGRHIZUSPZEMO-BXUZGUMPSA-N 1 1 264.369 2.021 20 10 CECDMO [NH3+]CC[C@H](NCc1c(O)ccc(Cl)c1F)C(F)F ZINC000841073271 639643670 /nfs/dbraw/zinc/64/36/70/639643670.db2.gz GPHZDRADNJPOEK-QMMMGPOBSA-N 1 1 282.693 2.257 20 10 CECDMO COc1cc(Cl)cc(C[NH2+]Cc2ccn(C)n2)c1O ZINC000228676834 639652566 /nfs/dbraw/zinc/65/25/66/639652566.db2.gz QYTYQGLANJDLHI-UHFFFAOYSA-N 1 1 281.743 2.078 20 10 CECDMO C[C@H]([NH2+][C@H]1CCCN(C)C1)c1ccc(F)cc1O ZINC000062748001 639783279 /nfs/dbraw/zinc/78/32/79/639783279.db2.gz YEUXGHKWNWAQNX-JQWIXIFHSA-N 1 1 252.333 2.276 20 10 CECDMO CC(=O)NCCC[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841744218 639855913 /nfs/dbraw/zinc/85/59/13/639855913.db2.gz MWEVGTTZFHEODS-VIFPVBQESA-N 1 1 270.760 2.222 20 10 CECDMO CN(C)C1(C[NH2+]Cc2c(O)ccc(Cl)c2F)CC1 ZINC000841890283 639900613 /nfs/dbraw/zinc/90/06/13/639900613.db2.gz NPKXIJRHSQNSDW-UHFFFAOYSA-N 1 1 272.751 2.369 20 10 CECDMO Oc1ccc(F)cc1CN(C1CC1)C1CC[NH2+]CC1 ZINC000843043797 640249796 /nfs/dbraw/zinc/24/97/96/640249796.db2.gz HSLZHTMOWGVUMI-UHFFFAOYSA-N 1 1 264.344 2.248 20 10 CECDMO C[NH2+][C@@H]1CCCN(Cc2cccc(Cl)c2O)C1 ZINC000843048625 640253804 /nfs/dbraw/zinc/25/38/04/640253804.db2.gz LSIGFOYRTJTAKP-LLVKDONJSA-N 1 1 254.761 2.229 20 10 CECDMO Cc1cc(Br)c([O-])c(C[N@@H+](C)CCC[NH3+])c1 ZINC000843050610 640254530 /nfs/dbraw/zinc/25/45/30/640254530.db2.gz LYKFMTIIUGOXKG-UHFFFAOYSA-N 1 1 287.201 2.244 20 10 CECDMO C[C@H]1[NH2+]CCN(Cc2c(O)ccc(Cl)c2F)[C@@H]1C ZINC000843057176 640260073 /nfs/dbraw/zinc/26/00/73/640260073.db2.gz GHXKWJUPQYQTHZ-RKDXNWHRSA-N 1 1 272.751 2.367 20 10 CECDMO C[C@@H]1C[NH2+]C[C@H](C)N1Cc1cccc(Cl)c1O ZINC000843065855 640265866 /nfs/dbraw/zinc/26/58/66/640265866.db2.gz QTPJZDCUOLQPJX-AOOOYVTPSA-N 1 1 254.761 2.228 20 10 CECDMO C[C@@H]1C[NH2+]C[C@H](C)N1Cc1cccc(Br)c1O ZINC000843066334 640265953 /nfs/dbraw/zinc/26/59/53/640265953.db2.gz VCBLGAWUNVLWDJ-AOOOYVTPSA-N 1 1 299.212 2.337 20 10 CECDMO C[C@@]1(C[NH3+])CC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000843118050 640287333 /nfs/dbraw/zinc/28/73/33/640287333.db2.gz ZOKWEENAGZRXSI-ZDUSSCGKSA-N 1 1 254.761 2.216 20 10 CECDMO Cc1cc(N(C)C)ccc1CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000843120459 640289160 /nfs/dbraw/zinc/28/91/60/640289160.db2.gz LHMJBZWZAXFEPZ-QGZVFWFLSA-N 1 1 273.424 2.246 20 10 CECDMO C[C@@H]1CN(Cc2cc(Cl)cc(F)c2O)[C@@H](C)C[NH2+]1 ZINC000843119946 640289312 /nfs/dbraw/zinc/28/93/12/640289312.db2.gz QBYKJINNIZLXOJ-BDAKNGLRSA-N 1 1 272.751 2.367 20 10 CECDMO Cc1cc(N(C)C)ccc1CN1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000843125913 640291593 /nfs/dbraw/zinc/29/15/93/640291593.db2.gz CLJWJPXDSSWJEJ-DOTOQJQBSA-N 1 1 273.424 2.245 20 10 CECDMO Cc1ccc(O)c(C[N@H+]2CCO[C@]3(CCSC3)C2)c1 ZINC000843417361 640421556 /nfs/dbraw/zinc/42/15/56/640421556.db2.gz CRTGKXCDRWTLPY-OAHLLOKOSA-N 1 1 279.405 2.409 20 10 CECDMO CC[C@@H](C[N@@H+](C)CCN(C)c1ccc(OC)cc1)OC ZINC000844402247 640708335 /nfs/dbraw/zinc/70/83/35/640708335.db2.gz QVRVJYHTYOPDEL-HNNXBMFYSA-N 1 1 280.412 2.488 20 10 CECDMO Cc1cccc(O)c1C[N@H+]1CCCC2(C1)OCCO2 ZINC000877170734 650608229 /nfs/dbraw/zinc/60/82/29/650608229.db2.gz VFTAPAQKODVPKY-UHFFFAOYSA-N 1 1 263.337 2.040 20 10 CECDMO CCOCC[N@@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877171550 650609442 /nfs/dbraw/zinc/60/94/42/650609442.db2.gz AMCOGQPFGLREGR-UHFFFAOYSA-N 1 1 292.423 2.116 20 10 CECDMO CCOC(=O)[C@@H]1C[C@H]1C[N@@H+](C)Cc1ccccc1O ZINC000929977442 640884188 /nfs/dbraw/zinc/88/41/88/640884188.db2.gz UEMOSBBXPYITQW-QWHCGFSZSA-N 1 1 263.337 2.023 20 10 CECDMO COc1cccc([C@H](C)[NH2+][C@@H](C)CCN(C)C)c1O ZINC000846142349 641198975 /nfs/dbraw/zinc/19/89/75/641198975.db2.gz RROJXYKURJRRJR-RYUDHWBXSA-N 1 1 266.385 2.392 20 10 CECDMO C[C@@H]([NH2+]C[C@H]1CC(=O)N(C2CC2)C1)c1ccc(F)cc1O ZINC000846205626 641220889 /nfs/dbraw/zinc/22/08/89/641220889.db2.gz IOHVYNZRNIQFFI-GHMZBOCLSA-N 1 1 292.354 2.193 20 10 CECDMO C[C@@H]1C[C@@H]([NH3+])CCN1Cc1cccc(Br)c1O ZINC000846698333 641400653 /nfs/dbraw/zinc/40/06/53/641400653.db2.gz FULPRVFFAUMJLL-KOLCDFICSA-N 1 1 299.212 2.466 20 10 CECDMO C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000846699935 641401115 /nfs/dbraw/zinc/40/11/15/641401115.db2.gz YHHCDUQXSWTDQQ-LDYMZIIASA-N 1 1 299.758 2.265 20 10 CECDMO C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000846699935 641401119 /nfs/dbraw/zinc/40/11/19/641401119.db2.gz YHHCDUQXSWTDQQ-LDYMZIIASA-N 1 1 299.758 2.265 20 10 CECDMO CCC[N@@H+](CCCC(=O)N(C)C)Cc1ccccc1O ZINC000846807149 641432543 /nfs/dbraw/zinc/43/25/43/641432543.db2.gz APKXLTYKLCBGMJ-UHFFFAOYSA-N 1 1 278.396 2.473 20 10 CECDMO CCc1nnc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)o1 ZINC000182315350 641645216 /nfs/dbraw/zinc/64/52/16/641645216.db2.gz OQSVLNGUARYXKH-VIFPVBQESA-N 1 1 277.324 2.197 20 10 CECDMO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2nnnn2C2CC2)c1 ZINC000189132748 641683842 /nfs/dbraw/zinc/68/38/42/641683842.db2.gz DJNDFIKQGKLQBA-MNOVXSKESA-N 1 1 287.367 2.434 20 10 CECDMO CC[C@@H]1CCC[N@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768450987 642100492 /nfs/dbraw/zinc/10/04/92/642100492.db2.gz KYMOPICSBJEAQF-RISCZKNCSA-N 1 1 263.337 2.192 20 10 CECDMO Cc1ccc(C[N@@H+](C)CCCNC(=O)C2CCC2)c(O)c1 ZINC000877479238 650740540 /nfs/dbraw/zinc/74/05/40/650740540.db2.gz UOXHHMDMVLOYDO-UHFFFAOYSA-N 1 1 290.407 2.439 20 10 CECDMO Cc1ccc(C[N@H+]2CCCC[C@H](S(C)(=O)=O)C2)c(O)c1 ZINC000877480792 650741502 /nfs/dbraw/zinc/74/15/02/650741502.db2.gz HZKONQUKEOLPHA-AWEZNQCLSA-N 1 1 297.420 2.100 20 10 CECDMO CCS(=O)(=O)C1CC[NH+](Cc2ccc(C)cc2O)CC1 ZINC000877480920 650741733 /nfs/dbraw/zinc/74/17/33/650741733.db2.gz NRPDWHYTEPRSHR-UHFFFAOYSA-N 1 1 297.420 2.100 20 10 CECDMO Cc1cccc(O)c1C[N@@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000877486895 650745669 /nfs/dbraw/zinc/74/56/69/650745669.db2.gz SUSWHCQPCRTBKQ-CQSZACIVSA-N 1 1 291.391 2.471 20 10 CECDMO CC[C@@H]1C[N@@H+](Cc2ccc(C)cc2O)C[C@@]2(CCOC2)O1 ZINC000877492569 650748371 /nfs/dbraw/zinc/74/83/71/650748371.db2.gz LZRMOCPCRMSNHI-NVXWUHKLSA-N 1 1 291.391 2.471 20 10 CECDMO Cc1ccc(C[N@@H+]2CCO[C@@H](C(F)F)C2)c(O)c1 ZINC000877502575 650753592 /nfs/dbraw/zinc/75/35/92/650753592.db2.gz MTSKODVLXXUWND-GFCCVEGCSA-N 1 1 257.280 2.167 20 10 CECDMO Cc1ccc(C[N@H+]2CCO[C@@H](C(F)F)C2)c(O)c1 ZINC000877502575 650753594 /nfs/dbraw/zinc/75/35/94/650753594.db2.gz MTSKODVLXXUWND-GFCCVEGCSA-N 1 1 257.280 2.167 20 10 CECDMO Cc1cccc(O)c1C[N@@H+](C)CCCn1ccnc1 ZINC000877528041 650768594 /nfs/dbraw/zinc/76/85/94/650768594.db2.gz RVHCMMVCWPTCEU-UHFFFAOYSA-N 1 1 259.353 2.419 20 10 CECDMO C[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)c2ncnn21 ZINC000850352249 642677598 /nfs/dbraw/zinc/67/75/98/642677598.db2.gz PQDLKQXWLBSSIU-GXFFZTMASA-N 1 1 270.336 2.009 20 10 CECDMO C[C@H]([NH2+][C@H]1CCNC1=O)c1cc(Cl)c(Cl)cc1O ZINC000850480692 642728236 /nfs/dbraw/zinc/72/82/36/642728236.db2.gz COHKCKYSFWAXTF-WKEGUHRASA-N 1 1 289.162 2.238 20 10 CECDMO Cc1ccc(C[N@H+]2CC[C@@H](Nc3ncccn3)C2)c(O)c1 ZINC000877603236 650809393 /nfs/dbraw/zinc/80/93/93/650809393.db2.gz IMDDDEZJLBMYTE-CQSZACIVSA-N 1 1 284.363 2.177 20 10 CECDMO Cc1ccc(C[N@H+]2CCO[C@]3(CCSC3)C2)c(O)c1 ZINC000877604736 650810401 /nfs/dbraw/zinc/81/04/01/650810401.db2.gz QANBGLJGCJHFQF-OAHLLOKOSA-N 1 1 279.405 2.409 20 10 CECDMO CCN(CC)c1ccc(C[N@@H+](C)CCc2c[nH]nn2)cc1 ZINC000851716759 643123122 /nfs/dbraw/zinc/12/31/22/643123122.db2.gz QRNSYDGKQKRFAD-UHFFFAOYSA-N 1 1 287.411 2.325 20 10 CECDMO CCN(CC)c1ccc(C[N@H+](C)CCc2cn[nH]n2)cc1 ZINC000851716759 643123125 /nfs/dbraw/zinc/12/31/25/643123125.db2.gz QRNSYDGKQKRFAD-UHFFFAOYSA-N 1 1 287.411 2.325 20 10 CECDMO CCN(CC)c1ccc(C[N@@H+](C)CCc2cn[nH]n2)cc1 ZINC000851716759 643123133 /nfs/dbraw/zinc/12/31/33/643123133.db2.gz QRNSYDGKQKRFAD-UHFFFAOYSA-N 1 1 287.411 2.325 20 10 CECDMO C[C@@H]([NH2+]C/C=C\c1ccc(N(C)C)cc1)c1cn(C)nn1 ZINC000922634599 643174000 /nfs/dbraw/zinc/17/40/00/643174000.db2.gz JRZRGEZDWDDZRZ-CFHLNLSMSA-N 1 1 285.395 2.245 20 10 CECDMO C[N@@H+](CC[C@H]1COC(C)(C)O1)Cc1ccccc1O ZINC000851841887 643186731 /nfs/dbraw/zinc/18/67/31/643186731.db2.gz ZBPZSPBRXKOPSQ-ZDUSSCGKSA-N 1 1 265.353 2.366 20 10 CECDMO COc1ccc(N(C)CC[N@H+](C)CCC(OC)OC)cc1 ZINC000852211185 643353485 /nfs/dbraw/zinc/35/34/85/643353485.db2.gz HOPATWWJKJEFQU-UHFFFAOYSA-N 1 1 296.411 2.072 20 10 CECDMO CN(C)c1ccc(C[N@H+]2C[C@H]3COC[C@]3(C)C2)cc1 ZINC000852534298 643460968 /nfs/dbraw/zinc/46/09/68/643460968.db2.gz KAJVCGOUFBVWEX-HOCLYGCPSA-N 1 1 260.381 2.221 20 10 CECDMO Cc1cc(O)c(C[NH2+]Cc2noc3c2COCC3)cc1C ZINC000923015042 643512557 /nfs/dbraw/zinc/51/25/57/643512557.db2.gz AYZPNTABBNSSRL-UHFFFAOYSA-N 1 1 288.347 2.360 20 10 CECDMO COc1cc(C[N@H+]2CC[C@@H]3COC[C@H]3C2)c(O)cc1C ZINC000853591322 643826617 /nfs/dbraw/zinc/82/66/17/643826617.db2.gz PTVNZQXEVQQVLD-TZMCWYRMSA-N 1 1 277.364 2.178 20 10 CECDMO C[C@@H]([NH2+]C1CCN(CC(C)(C)O)CC1)c1ccccc1O ZINC000877755889 650899248 /nfs/dbraw/zinc/89/92/48/650899248.db2.gz RBGDCPCICQDHPP-CYBMUJFWSA-N 1 1 292.423 2.278 20 10 CECDMO C[C@H]1COCC[N@@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000753988206 644306884 /nfs/dbraw/zinc/30/68/84/644306884.db2.gz VKJJKSCWVOLOIQ-GFCCVEGCSA-N 1 1 261.365 2.349 20 10 CECDMO COc1cccc(C[N@H+]2CCC[C@H](C(C)(C)O)C2)c1O ZINC000877796930 650913857 /nfs/dbraw/zinc/91/38/57/650913857.db2.gz NIRXWXOVRMRAIR-ZDUSSCGKSA-N 1 1 279.380 2.384 20 10 CECDMO C[C@H](CC[NH2+][C@@H](C)c1cc(F)cc(F)c1O)[S@](C)=O ZINC000756757900 644689523 /nfs/dbraw/zinc/68/95/23/644689523.db2.gz DLQDGBZQEYFZLZ-MGOSUKFUSA-N 1 1 291.363 2.478 20 10 CECDMO COc1ccc(C[N@H+](C)Cc2c(O)cccc2OC)cn1 ZINC000757918205 644857005 /nfs/dbraw/zinc/85/70/05/644857005.db2.gz XUQFOWLOIUTZCF-UHFFFAOYSA-N 1 1 288.347 2.436 20 10 CECDMO COc1ccc(C[N@@H+](C)Cc2c(O)cccc2OC)cn1 ZINC000757918205 644857008 /nfs/dbraw/zinc/85/70/08/644857008.db2.gz XUQFOWLOIUTZCF-UHFFFAOYSA-N 1 1 288.347 2.436 20 10 CECDMO CCc1cccc(C[N@H+]2CCc3n[nH]cc3C2)c1O ZINC000857876643 644993587 /nfs/dbraw/zinc/99/35/87/644993587.db2.gz IHKKXEATPJYZPM-UHFFFAOYSA-N 1 1 257.337 2.236 20 10 CECDMO CN(C)c1cc(F)c(CN[C@@H]2CC[N@@H+](C3CC3)C2)cc1F ZINC000858128029 645069600 /nfs/dbraw/zinc/06/96/00/645069600.db2.gz YOZUATWSLNFPJS-GFCCVEGCSA-N 1 1 295.377 2.357 20 10 CECDMO CN(C)c1cc(F)c(CN[C@@H]2CC[N@H+](C3CC3)C2)cc1F ZINC000858128029 645069607 /nfs/dbraw/zinc/06/96/07/645069607.db2.gz YOZUATWSLNFPJS-GFCCVEGCSA-N 1 1 295.377 2.357 20 10 CECDMO CCN(CC)c1ccc(C[N@@H+](C)C2CC(O)C2)cc1 ZINC000761223361 645259229 /nfs/dbraw/zinc/25/92/29/645259229.db2.gz PXJJWBNTROYJEP-UHFFFAOYSA-N 1 1 262.397 2.488 20 10 CECDMO Cc1cc(Br)c(O)c(C[N@@H+](C)C[C@H](C)O)c1 ZINC000761500123 645291890 /nfs/dbraw/zinc/29/18/90/645291890.db2.gz SGCZYGWNTOAXSN-VIFPVBQESA-N 1 1 288.185 2.276 20 10 CECDMO Cc1cc(Br)c(O)c(C[N@H+](C)C[C@H](C)O)c1 ZINC000761500123 645291892 /nfs/dbraw/zinc/29/18/92/645291892.db2.gz SGCZYGWNTOAXSN-VIFPVBQESA-N 1 1 288.185 2.276 20 10 CECDMO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1c(O)cccc1OC ZINC000768172231 646093371 /nfs/dbraw/zinc/09/33/71/646093371.db2.gz NSHGCIMMFVURDH-VXGBXAGGSA-N 1 1 265.353 2.400 20 10 CECDMO CCCC[N@@H+](CC)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768441279 646123019 /nfs/dbraw/zinc/12/30/19/646123019.db2.gz IRQCWBQAUQNRQB-CQSZACIVSA-N 1 1 265.353 2.440 20 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251.326 2.084 20 10 CECDMO COC(=O)C(C)(C)[N@@H+](C)Cc1cc(C)ccc1O ZINC000769306400 646240351 /nfs/dbraw/zinc/24/03/51/646240351.db2.gz UKMWWJIPEDELLK-UHFFFAOYSA-N 1 1 251.326 2.084 20 10 CECDMO CC[N@H+]1C[C@@H](C)N(Cc2cc3c(cc2O)OCO3)C[C@H]1C ZINC000769467832 646272522 /nfs/dbraw/zinc/27/25/22/646272522.db2.gz ZRGINNBMGHMFGP-VXGBXAGGSA-N 1 1 292.379 2.035 20 10 CECDMO CCN1C[C@@H](C)[N@H+](Cc2cc3c(cc2O)OCO3)C[C@H]1C ZINC000769467832 646272524 /nfs/dbraw/zinc/27/25/24/646272524.db2.gz ZRGINNBMGHMFGP-VXGBXAGGSA-N 1 1 292.379 2.035 20 10 CECDMO CCN1C[C@@H](C)[N@@H+](Cc2cc3c(cc2O)OCO3)C[C@H]1C ZINC000769467832 646272526 /nfs/dbraw/zinc/27/25/26/646272526.db2.gz ZRGINNBMGHMFGP-VXGBXAGGSA-N 1 1 292.379 2.035 20 10 CECDMO Oc1cccc(Br)c1C[N@@H+]1CCC[C@H](O)C1 ZINC000862211393 646364525 /nfs/dbraw/zinc/36/45/25/646364525.db2.gz IJSBESMPHANZAY-VIFPVBQESA-N 1 1 286.169 2.111 20 10 CECDMO COc1cccc(O)c1C[N@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000770285920 646377451 /nfs/dbraw/zinc/37/74/51/646377451.db2.gz 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C[C@@H]([NH2+][C@@H](C)c1nc(N)nc(Cl)n1)c1ccccc1O ZINC000879648865 651335219 /nfs/dbraw/zinc/33/52/19/651335219.db2.gz CVRBSYPTULZLNZ-SFYZADRCSA-N 1 1 293.758 2.225 20 10 CECDMO Cn1cc(C(C)(C)[NH2+]Cc2cc(F)cc(F)c2O)cn1 ZINC000883017961 652327624 /nfs/dbraw/zinc/32/76/24/652327624.db2.gz IVBZZDCUHVTICU-UHFFFAOYSA-N 1 1 281.306 2.429 20 10 CECDMO C[C@@H]1COCC[C@@H]1C[NH2+]Cc1cc(F)cc(F)c1O ZINC000883118581 652368285 /nfs/dbraw/zinc/36/82/85/652368285.db2.gz ZUHNRHADHIXMHI-NXEZZACHSA-N 1 1 271.307 2.433 20 10 CECDMO CC(C)(C)N1CC[C@@H]([NH2+]Cc2cc(F)cc(F)c2O)C1=O ZINC000883152303 652381322 /nfs/dbraw/zinc/38/13/22/652381322.db2.gz QVXBCDSZISLYQX-GFCCVEGCSA-N 1 1 298.333 2.159 20 10 CECDMO CC[NH+]1CCC([N@H+](C)Cc2cc(OC)ccc2O)CC1 ZINC000131570254 652437667 /nfs/dbraw/zinc/43/76/67/652437667.db2.gz MZWQZRVBYMAKNT-UHFFFAOYSA-N 1 1 278.396 2.317 20 10 CECDMO CC(C)C[N@@H+](CCN(C)C)Cc1cc2c(cc1O)OCO2 ZINC000132553888 652531783 /nfs/dbraw/zinc/53/17/83/652531783.db2.gz WEYILJRUPUJXPM-UHFFFAOYSA-N 1 1 294.395 2.141 20 10 CECDMO CC(C)CN(CC[NH+](C)C)Cc1cc2c(cc1O)OCO2 ZINC000132553888 652531784 /nfs/dbraw/zinc/53/17/84/652531784.db2.gz WEYILJRUPUJXPM-UHFFFAOYSA-N 1 1 294.395 2.141 20 10 CECDMO COc1ccc(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)c(O)c1 ZINC000093507457 806513560 /nfs/dbraw/zinc/51/35/60/806513560.db2.gz SFIVBZPQOMRXME-CZUORRHYSA-N 1 1 277.364 2.402 20 10 CECDMO Oc1cccc(CNC2CC[NH+](CC3CC3)CC2)c1O ZINC001168363199 806753078 /nfs/dbraw/zinc/75/30/78/806753078.db2.gz VOWUINWJUVDZFL-UHFFFAOYSA-N 1 1 276.380 2.062 20 10 CECDMO COC(=O)[C@@]1(C)C[N@H+](Cc2cc(F)c(F)cc2O)C[C@@H]1C ZINC001207118816 802791460 /nfs/dbraw/zinc/79/14/60/802791460.db2.gz IXLLBOGQQSTXLZ-VFZGTOFNSA-N 1 1 299.317 2.301 20 10 CECDMO COC(=O)[C@@]1(C)C[N@@H+](Cc2cc(F)c(F)cc2O)C[C@@H]1C ZINC001207118816 802791464 /nfs/dbraw/zinc/79/14/64/802791464.db2.gz IXLLBOGQQSTXLZ-VFZGTOFNSA-N 1 1 299.317 2.301 20 10 CECDMO C[C@@H]1CN(Cc2c(O)cccc2Br)CC[N@H+]1C ZINC000707157053 802897580 /nfs/dbraw/zinc/89/75/80/802897580.db2.gz 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C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(F)c(F)c3[O-])C2)C1 ZINC000703457850 809651116 /nfs/dbraw/zinc/65/11/16/809651116.db2.gz FUDPKBKJCOIYAM-HNNXBMFYSA-N 1 1 282.334 2.198 20 10 CECDMO C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(F)c(F)c3[O-])C2)C1 ZINC000703457850 809651118 /nfs/dbraw/zinc/65/11/18/809651118.db2.gz FUDPKBKJCOIYAM-HNNXBMFYSA-N 1 1 282.334 2.198 20 10 CECDMO C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(F)c(F)c3[O-])C2)C1 ZINC000703457850 809651122 /nfs/dbraw/zinc/65/11/22/809651122.db2.gz FUDPKBKJCOIYAM-HNNXBMFYSA-N 1 1 282.334 2.198 20 10 CECDMO C[C@@H](O)C[C@H](C)C[NH2+]Cc1cc(F)cc(F)c1O ZINC000708481389 809929680 /nfs/dbraw/zinc/92/96/80/809929680.db2.gz RTSMLRBBGODRIH-DTWKUNHWSA-N 1 1 259.296 2.167 20 10 CECDMO Oc1c(F)cc(F)cc1C[NH2+]CC[C@H]1CCOC1 ZINC000708435170 809931159 /nfs/dbraw/zinc/93/11/59/809931159.db2.gz BFPSPESQAYDJOG-VIFPVBQESA-N 1 1 257.280 2.187 20 10 CECDMO C[C@@H]1CCC[C@@]1(O)C[NH2+]Cc1cc(F)cc(F)c1O ZINC000708516311 809943652 /nfs/dbraw/zinc/94/36/52/809943652.db2.gz GSSIVUVXPGHUOD-YMTOWFKASA-N 1 1 271.307 2.311 20 10 CECDMO C[C@@H]1CCC[C@]1(O)C[NH2+]Cc1cc(F)cc(F)c1O ZINC000708516309 809943753 /nfs/dbraw/zinc/94/37/53/809943753.db2.gz GSSIVUVXPGHUOD-OTYXRUKQSA-N 1 1 271.307 2.311 20 10 CECDMO Oc1c(F)cc(F)cc1C[NH2+]CCO[C@H]1CC1(F)F ZINC000708516937 809943964 /nfs/dbraw/zinc/94/39/64/809943964.db2.gz LTENIXCFOSMRGE-JTQLQIEISA-N 1 1 279.233 2.184 20 10 CECDMO Oc1c(F)cc(F)cc1C[NH2+]CC1CCOCC1 ZINC000708561210 809947027 /nfs/dbraw/zinc/94/70/27/809947027.db2.gz NVTBZEXOYXQRPH-UHFFFAOYSA-N 1 1 257.280 2.187 20 10 CECDMO CN(C)c1ccc(CN2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000709872036 809974038 /nfs/dbraw/zinc/97/40/38/809974038.db2.gz XIPOOHZROVRHCV-KRWDZBQOSA-N 1 1 273.424 2.328 20 10 CECDMO C[C@H]1C[N@@H+](Cc2c([O-])ccc(F)c2F)CCC[C@H]1C[NH3+] ZINC001206026832 811837806 /nfs/dbraw/zinc/83/78/06/811837806.db2.gz UCCYUGVTZYMXPT-QWRGUYRKSA-N 1 1 284.350 2.477 20 10 CECDMO CCCN(Cc1ccccc1O)C(=O)[C@@H]1CC[N@@H+]1CC ZINC001137346957 812705012 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ZINC001138129543 815733636 /nfs/dbraw/zinc/73/36/36/815733636.db2.gz JPTPRQXDKNIRGV-UHTWSYAYSA-N 1 1 293.338 2.305 20 10 CECDMO COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cccc(F)c1O)C2 ZINC001138129543 815733642 /nfs/dbraw/zinc/73/36/42/815733642.db2.gz JPTPRQXDKNIRGV-UHTWSYAYSA-N 1 1 293.338 2.305 20 10 CECDMO Cc1c(C[N@H+]2CC[C@H](F)[C@@H](O)C2)c2ccccc2n1C ZINC001138252838 815755000 /nfs/dbraw/zinc/75/50/00/815755000.db2.gz WHQKDFAOKTXWJG-HOCLYGCPSA-N 1 1 276.355 2.391 20 10 CECDMO CO[C@H]1C[N@H+](Cc2ccc3c(c2)CCCN3C)C[C@@H]1F ZINC001138354269 815773433 /nfs/dbraw/zinc/77/34/33/815773433.db2.gz CPTDPUJPVDITQK-HOCLYGCPSA-N 1 1 278.371 2.238 20 10 CECDMO CO[C@H]1C[N@@H+](Cc2ccc3c(c2)CCCN3C)C[C@@H]1F ZINC001138354269 815773440 /nfs/dbraw/zinc/77/34/40/815773440.db2.gz CPTDPUJPVDITQK-HOCLYGCPSA-N 1 1 278.371 2.238 20 10 CECDMO CO[C@@H]1C[N@H+](Cc2ccc3c(c2)CCCN3C)C[C@@H]1F ZINC001138354268 815773626 /nfs/dbraw/zinc/77/36/26/815773626.db2.gz CPTDPUJPVDITQK-GOEBONIOSA-N 1 1 278.371 2.238 20 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/nfs/dbraw/zinc/07/99/59/816079959.db2.gz NDSAMVKVMYCGDV-MNOVXSKESA-N 1 1 282.334 2.054 20 10 CECDMO C[NH+]1CC[C@@H]2C[N@@H+](Cc3c(F)ccc(F)c3[O-])C[C@@H]2C1 ZINC001139681235 816079966 /nfs/dbraw/zinc/07/99/66/816079966.db2.gz NDSAMVKVMYCGDV-MNOVXSKESA-N 1 1 282.334 2.054 20 10 CECDMO C[NH+](C)Cc1ccc(C(=O)N2Cc3cccc(O)c3C2)o1 ZINC001175037557 816128192 /nfs/dbraw/zinc/12/81/92/816128192.db2.gz IMZITIQBZMEASM-UHFFFAOYSA-N 1 1 286.331 2.203 20 10 CECDMO CC(=O)[C@H]1CCCC[N@@H+]1Cc1cc(F)ccc1O ZINC001140058923 816181008 /nfs/dbraw/zinc/18/10/08/816181008.db2.gz OXSUFSWBOWNFHO-CYBMUJFWSA-N 1 1 251.301 2.475 20 10 CECDMO CC(=O)[C@H]1CCCC[N@H+]1Cc1cc(F)ccc1O ZINC001140058923 816181013 /nfs/dbraw/zinc/18/10/13/816181013.db2.gz OXSUFSWBOWNFHO-CYBMUJFWSA-N 1 1 251.301 2.475 20 10 CECDMO C[N@@H+](C1CC1)[C@H]1CCN(Cc2cc(F)ccc2O)C1 ZINC001140060180 816181330 /nfs/dbraw/zinc/18/13/30/816181330.db2.gz ODAUKIYAXXXXBD-AWEZNQCLSA-N 1 1 264.344 2.200 20 10 CECDMO CC[N@@H+]1C[C@H]2CN(Cc3c(O)cccc3Cl)C[C@H]2C1 ZINC001140342572 816237350 /nfs/dbraw/zinc/23/73/50/816237350.db2.gz PPSBTMVCOXYMST-TXEJJXNPSA-N 1 1 280.799 2.429 20 10 CECDMO COC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140461821 816260503 /nfs/dbraw/zinc/26/05/03/816260503.db2.gz UOZFIQOLUDZWEM-NSHDSACASA-N 1 1 283.755 2.431 20 10 CECDMO Oc1cc(Cl)ccc1CN1CC[N@H+]2CCC[C@@H]2C1 ZINC001140466620 816262563 /nfs/dbraw/zinc/26/25/63/816262563.db2.gz IHLQRENYTRIOFP-CYBMUJFWSA-N 1 1 266.772 2.326 20 10 CECDMO Oc1cc(Cl)ccc1C[N@H+]1CCCC2(C1)OCCO2 ZINC001140466087 816263079 /nfs/dbraw/zinc/26/30/79/816263079.db2.gz WTGCFUVXQMIOEL-UHFFFAOYSA-N 1 1 283.755 2.385 20 10 CECDMO C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(Cl)cc3O)C[C@@H]2C1 ZINC001140466819 816263287 /nfs/dbraw/zinc/26/32/87/816263287.db2.gz IRXMNMPCAMLOGU-YPMHNXCESA-N 1 1 280.799 2.429 20 10 CECDMO C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(Cl)cc3O)C[C@@H]2C1 ZINC001140466819 816263292 /nfs/dbraw/zinc/26/32/92/816263292.db2.gz IRXMNMPCAMLOGU-YPMHNXCESA-N 1 1 280.799 2.429 20 10 CECDMO C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3O)C[C@@H]2C1 ZINC001140466819 816263295 /nfs/dbraw/zinc/26/32/95/816263295.db2.gz IRXMNMPCAMLOGU-YPMHNXCESA-N 1 1 280.799 2.429 20 10 CECDMO C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(Cl)cc3[O-])C[C@@H]2C1 ZINC001140466819 816263299 /nfs/dbraw/zinc/26/32/99/816263299.db2.gz IRXMNMPCAMLOGU-YPMHNXCESA-N 1 1 280.799 2.429 20 10 CECDMO C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(Cl)cc3[O-])C[C@@H]2C1 ZINC001140466819 816263303 /nfs/dbraw/zinc/26/33/03/816263303.db2.gz IRXMNMPCAMLOGU-YPMHNXCESA-N 1 1 280.799 2.429 20 10 CECDMO C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(Cl)cc3[O-])C[C@@H]2C1 ZINC001140466819 816263305 /nfs/dbraw/zinc/26/33/05/816263305.db2.gz IRXMNMPCAMLOGU-YPMHNXCESA-N 1 1 280.799 2.429 20 10 CECDMO C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3[O-])C[C@@H]2C1 ZINC001140466819 816263308 /nfs/dbraw/zinc/26/33/08/816263308.db2.gz IRXMNMPCAMLOGU-YPMHNXCESA-N 1 1 280.799 2.429 20 10 CECDMO Cc1ccc(O)c(C[N@H+]2CC[C@H](Oc3ncccn3)C2)c1 ZINC001140624017 816306003 /nfs/dbraw/zinc/30/60/03/816306003.db2.gz CAYIPHFYSMNLCK-AWEZNQCLSA-N 1 1 285.347 2.144 20 10 CECDMO Cc1ccc(O)c(C[N@@H+](C)Cc2cnc(C)nc2)c1 ZINC001140623192 816306809 /nfs/dbraw/zinc/30/68/09/816306809.db2.gz JZGHTGTUAXZJSK-UHFFFAOYSA-N 1 1 257.337 2.431 20 10 CECDMO Cc1c(O)ccc(C[N@H+]2CC[C@@]3(CCOC3)C2)c1O ZINC001140744060 816339980 /nfs/dbraw/zinc/33/99/80/816339980.db2.gz KEYHQBAIRRGSCY-OAHLLOKOSA-N 1 1 263.337 2.019 20 10 CECDMO CC[C@H](C)[C@@H](C(=O)OC)[N@@H+](C)Cc1ccc(O)c(C)c1O ZINC001140747622 816341733 /nfs/dbraw/zinc/34/17/33/816341733.db2.gz GQURPRVZTFHNPC-HZMBPMFUSA-N 1 1 295.379 2.426 20 10 CECDMO CC[N@H+](CCN1CCCC1)Cc1ccc(O)c(C)c1O ZINC001140746426 816341930 /nfs/dbraw/zinc/34/19/30/816341930.db2.gz YQNVSPLFTDUORO-UHFFFAOYSA-N 1 1 278.396 2.324 20 10 CECDMO CC[N@@H+](CCN1CCCC1)Cc1ccc(O)c(C)c1O ZINC001140746426 816341940 /nfs/dbraw/zinc/34/19/40/816341940.db2.gz YQNVSPLFTDUORO-UHFFFAOYSA-N 1 1 278.396 2.324 20 10 CECDMO COC(=O)[C@@H]1C[C@@H](C)C[N@@H+](Cc2ccc(O)c(C)c2O)C1 ZINC001140749424 816342863 /nfs/dbraw/zinc/34/28/63/816342863.db2.gz YYLVWADWRWZGMJ-ZWNOBZJWSA-N 1 1 293.363 2.037 20 10 CECDMO CCOC1C[NH+](Cc2ccc(N(CC)CC)cc2O)C1 ZINC001140850712 816383283 /nfs/dbraw/zinc/38/32/83/816383283.db2.gz ROUHTUNJLOTFNR-UHFFFAOYSA-N 1 1 278.396 2.459 20 10 CECDMO CCN(CC)c1ccc(C[N@@H+](C)CC(C)=O)c(O)c1 ZINC001140850950 816383436 /nfs/dbraw/zinc/38/34/36/816383436.db2.gz WRHIEBBQVQOBJE-UHFFFAOYSA-N 1 1 264.369 2.259 20 10 CECDMO CN(C)c1ccc(C[NH+]2CC3(CC(O)C3)C2)c(Cl)c1 ZINC001140921880 816410951 /nfs/dbraw/zinc/41/09/51/816410951.db2.gz UGYBQFJKBZJSFE-UHFFFAOYSA-N 1 1 280.799 2.363 20 10 CECDMO Cc1ccc(C[N@H+]2CCCC[C@@](O)(CF)C2)c(O)c1 ZINC001140947750 816422339 /nfs/dbraw/zinc/42/23/39/816422339.db2.gz DDXLALAAQYVGLT-OAHLLOKOSA-N 1 1 267.344 2.387 20 10 CECDMO Cc1ccc(C[N@H+](C)[C@H]2CCC3(C2)OCCO3)c(O)c1 ZINC001140954439 816424121 /nfs/dbraw/zinc/42/41/21/816424121.db2.gz RNFBARSCFCQSBQ-AWEZNQCLSA-N 1 1 277.364 2.428 20 10 CECDMO COc1ccc(N2CC[NH+](Cc3ocnc3C)CC2)cc1 ZINC001141051212 816462464 /nfs/dbraw/zinc/46/24/64/816462464.db2.gz WFGUQYWETPZDEM-UHFFFAOYSA-N 1 1 287.363 2.314 20 10 CECDMO CN1CCOc2cc(C[NH+]3CC(C(F)F)C3)ccc21 ZINC001141146190 816486467 /nfs/dbraw/zinc/48/64/67/816486467.db2.gz NRSXYFCYNYGOEQ-UHFFFAOYSA-N 1 1 268.307 2.212 20 10 CECDMO COC(=O)CC[N@@H+](Cc1cc(O)ccc1O)C1CCCC1 ZINC001141158710 816490414 /nfs/dbraw/zinc/49/04/14/816490414.db2.gz KRVVBDKXAWNURH-UHFFFAOYSA-N 1 1 293.363 2.406 20 10 CECDMO Oc1ccc(O)c(C[N@H+]2CCC[C@]3(CCOC3)C2)c1 ZINC001141156727 816490466 /nfs/dbraw/zinc/49/04/66/816490466.db2.gz SFNUOTACSIPMHE-HNNXBMFYSA-N 1 1 263.337 2.100 20 10 CECDMO Oc1ccc(O)c(C[N@@H+]2CCO[C@@H](c3ccncc3)C2)c1 ZINC001141161818 816491368 /nfs/dbraw/zinc/49/13/68/816491368.db2.gz ZDKBQZAHGHUSKC-MRXNPFEDSA-N 1 1 286.331 2.066 20 10 CECDMO Oc1ccc(O)c(C[N@H+]2CCO[C@@H](c3ccncc3)C2)c1 ZINC001141161818 816491374 /nfs/dbraw/zinc/49/13/74/816491374.db2.gz ZDKBQZAHGHUSKC-MRXNPFEDSA-N 1 1 286.331 2.066 20 10 CECDMO COC(C)(C)[C@@H]1CCC[N@H+]1Cc1cc(O)ccc1O ZINC001141160080 816492323 /nfs/dbraw/zinc/49/23/23/816492323.db2.gz QIPLQGDWQYOAQG-AWEZNQCLSA-N 1 1 265.353 2.487 20 10 CECDMO Oc1ccc(O)c(C[N@H+]2CC[C@@]3(CC3(F)F)C2)c1 ZINC001141160419 816492476 /nfs/dbraw/zinc/49/24/76/816492476.db2.gz XWYDTEVERGZOFE-GFCCVEGCSA-N 1 1 255.264 2.329 20 10 CECDMO OC[C@@H]1CCCC[N@@H+]1Cc1cc(F)c(F)cc1O ZINC001142502547 816675318 /nfs/dbraw/zinc/67/53/18/816675318.db2.gz RXEISMSMFRIYMQ-JTQLQIEISA-N 1 1 257.280 2.017 20 10 CECDMO OC[C@@H]1CCCC[N@H+]1Cc1cc(F)c(F)cc1O ZINC001142502547 816675320 /nfs/dbraw/zinc/67/53/20/816675320.db2.gz RXEISMSMFRIYMQ-JTQLQIEISA-N 1 1 257.280 2.017 20 10 CECDMO C[N@@H+](Cc1cc2c(cc1O)OCO2)[C@H]1CCSC1 ZINC000125020809 365664202 /nfs/dbraw/zinc/66/42/02/365664202.db2.gz LFHMHVWIAHKVMF-JTQLQIEISA-N 1 1 267.350 2.058 20 10 CECDMO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](N3CCCC3)C2)c1 ZINC000092757222 364104684 /nfs/dbraw/zinc/10/46/84/364104684.db2.gz FJHCNPLWAIZAPD-OAHLLOKOSA-N 1 1 290.407 2.461 20 10 CECDMO CCOc1ccc(O)c(C[N@H+]2CC[C@@H](N3CCCC3)C2)c1 ZINC000092757222 364104686 /nfs/dbraw/zinc/10/46/86/364104686.db2.gz FJHCNPLWAIZAPD-OAHLLOKOSA-N 1 1 290.407 2.461 20 10 CECDMO CC[C@H]1C[N@@H+](Cc2cccc(OC)c2O)C[C@@H](C)O1 ZINC000245560683 370838727 /nfs/dbraw/zinc/83/87/27/370838727.db2.gz MZLCGXNSFACEQF-YPMHNXCESA-N 1 1 265.353 2.400 20 10 CECDMO COc1ccc(O)c(C[N@@H+](C)CCOCC2CC2)c1 ZINC000180581617 368388281 /nfs/dbraw/zinc/38/82/81/368388281.db2.gz SRUFSLUUBKZJNK-UHFFFAOYSA-N 1 1 265.353 2.259 20 10 CECDMO CCCOc1ccc(C[N@H+]2C[C@@H](OC)[C@@H](OC)C2)c(O)c1 ZINC000233250874 370518120 /nfs/dbraw/zinc/51/81/20/370518120.db2.gz PSRALCKDJMJJAM-IYBDPMFKSA-N 1 1 295.379 2.027 20 10 CECDMO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1cc(C)ccc1O ZINC000248876503 371261278 /nfs/dbraw/zinc/26/12/78/371261278.db2.gz WCHMKTPZKPUJMS-XPKDYRNWSA-N 1 1 289.375 2.474 20 10 CECDMO CC[C@H](c1ccccc1O)[N@H+]1CCCN([C@@H](C)CO)CC1 ZINC000367306773 373147623 /nfs/dbraw/zinc/14/76/23/373147623.db2.gz AMPCXIISNYKRNS-GOEBONIOSA-N 1 1 292.423 2.232 20 10 CECDMO CC(C)C(=O)NCC[N@H+](C)Cc1c(O)cccc1Cl ZINC000271414157 373188864 /nfs/dbraw/zinc/18/88/64/373188864.db2.gz YBOMBBYLYFKSIK-UHFFFAOYSA-N 1 1 284.787 2.250 20 10 CECDMO CC(C)C(=O)NCC[N@@H+](C)Cc1c(O)cccc1Cl ZINC000271414157 373188877 /nfs/dbraw/zinc/18/88/77/373188877.db2.gz YBOMBBYLYFKSIK-UHFFFAOYSA-N 1 1 284.787 2.250 20 10 CECDMO CC[C@@H]1C[N@@H+](Cc2c(O)cccc2Cl)C[C@@H]1O ZINC000271412528 373190219 /nfs/dbraw/zinc/19/02/19/373190219.db2.gz XXQROTWGFYMGEH-RNCFNFMXSA-N 1 1 255.745 2.248 20 10 CECDMO CCC[N@@H+](Cc1cc(OC)ccc1O)CC(C)(C)O ZINC000271698803 373198398 /nfs/dbraw/zinc/19/83/98/373198398.db2.gz BZKZJQVXSXFWSG-UHFFFAOYSA-N 1 1 267.369 2.384 20 10 CECDMO CC(C)[N@H+]1CCCN(Cc2cc(F)ccc2O)CC1 ZINC000272227759 373371783 /nfs/dbraw/zinc/37/17/83/373371783.db2.gz DFVKDELJXFDIJH-UHFFFAOYSA-N 1 1 266.360 2.447 20 10 CECDMO CN(C)c1ccc(C[N@H+]2CC[C@H]3CCN(C)C[C@@H]32)cc1 ZINC000272267705 373396792 /nfs/dbraw/zinc/39/67/92/373396792.db2.gz BHWSAPQRFQTZKG-WBVHZDCISA-N 1 1 273.424 2.279 20 10 CECDMO CN(C)c1ccc(CN2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc1 ZINC000272267705 373396797 /nfs/dbraw/zinc/39/67/97/373396797.db2.gz BHWSAPQRFQTZKG-WBVHZDCISA-N 1 1 273.424 2.279 20 10 CECDMO CN(C)c1ccc(CN2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cc1 ZINC000272267705 373396803 /nfs/dbraw/zinc/39/68/03/373396803.db2.gz BHWSAPQRFQTZKG-WBVHZDCISA-N 1 1 273.424 2.279 20 10 CECDMO Cc1cc(O)c(C[N@H+]2CCN(C(C)C)C(=O)C2)cc1C ZINC000272430865 373481030 /nfs/dbraw/zinc/48/10/30/373481030.db2.gz GRIGQUYLPDEHTH-UHFFFAOYSA-N 1 1 276.380 2.062 20 10 CECDMO Cc1cc(O)c(C[N@@H+]2CCN(C(C)C)C(=O)C2)cc1C ZINC000272430865 373481035 /nfs/dbraw/zinc/48/10/35/373481035.db2.gz GRIGQUYLPDEHTH-UHFFFAOYSA-N 1 1 276.380 2.062 20 10 CECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2O)c1 ZINC000273359385 373753441 /nfs/dbraw/zinc/75/34/41/373753441.db2.gz AEBBDKCEVHSEHU-ZBINZKHDSA-N 1 1 293.363 2.133 20 10 CECDMO COC(=O)N1CCC([NH2+][C@@H](C)c2ccc(F)cc2O)CC1 ZINC000273432184 373757539 /nfs/dbraw/zinc/75/75/39/373757539.db2.gz VYERSVYUQMZACY-JTQLQIEISA-N 1 1 296.342 2.413 20 10 CECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CCSC2)c1 ZINC000273460487 373759551 /nfs/dbraw/zinc/75/95/51/373759551.db2.gz IBIXVVKUFSEVKB-GXSJLCMTSA-N 1 1 281.377 2.335 20 10 CECDMO CNC(=O)C1CCC([NH2+][C@@H](C)c2ccc(F)cc2O)CC1 ZINC000273576915 373764374 /nfs/dbraw/zinc/76/43/74/373764374.db2.gz LZZIGOYIGKJYSG-ZBOXLXRLSA-N 1 1 294.370 2.487 20 10 CECDMO Cc1ccc(O)c(C[N@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(N)=O)c1 ZINC000371412439 373872986 /nfs/dbraw/zinc/87/29/86/373872986.db2.gz GTHMWTQISWVFBJ-YUELXQCFSA-N 1 1 288.391 2.319 20 10 CECDMO Cc1cccc(C[N@@H+]2[C@H](C(N)=O)C[C@@H]3CCCC[C@@H]32)c1O ZINC000371425127 373876947 /nfs/dbraw/zinc/87/69/47/373876947.db2.gz RCQSJWPMAGRXDX-QEJZJMRPSA-N 1 1 288.391 2.319 20 10 CECDMO O=C1C[C@H]([C@H]2CCCC[N@@H+]2Cc2cc(F)ccc2O)CN1 ZINC000374890913 374635488 /nfs/dbraw/zinc/63/54/88/374635488.db2.gz FFRGXWZCBJFGMW-SMDDNHRTSA-N 1 1 292.354 2.022 20 10 CECDMO COc1ccc(O)c(C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)c1 ZINC000374998464 374638677 /nfs/dbraw/zinc/63/86/77/374638677.db2.gz NLLQCFMNIJXDMZ-STQMWFEESA-N 1 1 277.364 2.259 20 10 CECDMO COC(=O)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1O)C2 ZINC000374674046 374626514 /nfs/dbraw/zinc/62/65/14/374626514.db2.gz AHRYVVHMKYSFJA-CZUORRHYSA-N 1 1 275.348 2.167 20 10 CECDMO CCN(CC)c1ccc(C[N@@H+](C)CCCO)cc1F ZINC000281823541 375398477 /nfs/dbraw/zinc/39/84/77/375398477.db2.gz RHJHSOJGIXHZSI-UHFFFAOYSA-N 1 1 268.376 2.486 20 10 CECDMO CN(C)c1ccc(C[N@H+]2CCO[C@@]3(CCCOC3)C2)cc1 ZINC000285350028 375838662 /nfs/dbraw/zinc/83/86/62/375838662.db2.gz PMTPTIXQWQQYIT-KRWDZBQOSA-N 1 1 290.407 2.134 20 10 CECDMO CC[C@@H]([NH2+][C@H](C)Cn1cncn1)c1ccc(F)cc1O ZINC000286246328 375885391 /nfs/dbraw/zinc/88/53/91/375885391.db2.gz UFKNNJRCPUWSQT-ZWNOBZJWSA-N 1 1 278.331 2.252 20 10 CECDMO CC[C@H]([NH2+][C@@H](C)C[S@@](C)=O)c1ccc(F)cc1O ZINC000286272475 375893393 /nfs/dbraw/zinc/89/33/93/375893393.db2.gz VOYPFZPDVGEYFN-RPRQWQAVSA-N 1 1 273.373 2.339 20 10 CECDMO CC(C)C(=O)NCC[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000294339089 377983061 /nfs/dbraw/zinc/98/30/61/377983061.db2.gz RZFPZMAQDATHCV-UHFFFAOYSA-N 1 1 288.750 2.047 20 10 CECDMO CCNC(=O)C[N@@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000298741902 378818347 /nfs/dbraw/zinc/81/83/47/378818347.db2.gz WZKGKPDVSJJDTN-UHFFFAOYSA-N 1 1 277.412 2.099 20 10 CECDMO CC[N@H+]1CCCC[C@@H]1C(=O)N(C)Cc1ccccc1O ZINC000104853219 394720968 /nfs/dbraw/zinc/72/09/68/394720968.db2.gz IPBBBWZWOJVYLB-CQSZACIVSA-N 1 1 276.380 2.225 20 10 CECDMO O=C(N[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)C1)C1CCC1 ZINC000360670544 394805773 /nfs/dbraw/zinc/80/57/73/394805773.db2.gz IIZWPQNZCNPCEW-CQSZACIVSA-N 1 1 292.354 2.022 20 10 CECDMO Cc1cccc(C[N@H+]2CCCC[C@H]2[C@H]2CNC(=O)C2)c1O ZINC000373216894 395056922 /nfs/dbraw/zinc/05/69/22/395056922.db2.gz OZUWPSOJKGAXGY-CABCVRRESA-N 1 1 288.391 2.191 20 10 CECDMO COc1cc(O)c(C[N@@H+]2CCO[C@H](C3CC3)C2)cc1OC ZINC000372256143 395038092 /nfs/dbraw/zinc/03/80/92/395038092.db2.gz VIJPDJPBGPCYAR-INIZCTEOSA-N 1 1 293.363 2.020 20 10 CECDMO COc1cc(O)c(C[N@H+]2CCO[C@H](C3CC3)C2)cc1OC ZINC000372256143 395038095 /nfs/dbraw/zinc/03/80/95/395038095.db2.gz VIJPDJPBGPCYAR-INIZCTEOSA-N 1 1 293.363 2.020 20 10 CECDMO COC(=O)[C@H]1C[N@@H+](Cc2cc(F)ccc2O)CC12CCC2 ZINC000376470185 395121376 /nfs/dbraw/zinc/12/13/76/395121376.db2.gz ABBZZPNLEWHUDM-CYBMUJFWSA-N 1 1 293.338 2.306 20 10 CECDMO Cc1cccc(C[N@H+]2CCCC3(C2)OCCO3)c1O ZINC000182079476 395231924 /nfs/dbraw/zinc/23/19/24/395231924.db2.gz HYENYTGMJOVUEM-UHFFFAOYSA-N 1 1 263.337 2.040 20 10 CECDMO C[C@H](O)C(C)(C)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000293594965 395241762 /nfs/dbraw/zinc/24/17/62/395241762.db2.gz KPZQTWAKDSEEQR-ZETCQYMHSA-N 1 1 261.724 2.434 20 10 CECDMO C[C@@H](C[S@](C)=O)[N@@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000293603375 395243538 /nfs/dbraw/zinc/24/35/38/395243538.db2.gz 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/nfs/dbraw/zinc/17/51/12/267175112.db2.gz YAXHLWBOZUZHCH-CQSZACIVSA-N 1 1 251.301 2.144 20 10 CECDMO Oc1c(F)cccc1C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000368463302 267175116 /nfs/dbraw/zinc/17/51/16/267175116.db2.gz YAXHLWBOZUZHCH-CQSZACIVSA-N 1 1 251.301 2.144 20 10 CECDMO COc1cccc(C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)c1O ZINC000371310497 267386339 /nfs/dbraw/zinc/38/63/39/267386339.db2.gz LIQCONOOWRFZQO-GXTWGEPZSA-N 1 1 277.364 2.259 20 10 CECDMO COc1cccc(C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c1O ZINC000371310500 267386815 /nfs/dbraw/zinc/38/68/15/267386815.db2.gz LIQCONOOWRFZQO-TZMCWYRMSA-N 1 1 277.364 2.259 20 10 CECDMO CN1CCC[C@]2(CC[N@H+](Cc3ccccc3O)C2)C1 ZINC000293617485 277086737 /nfs/dbraw/zinc/08/67/37/277086737.db2.gz KMHMZXZMJLCGBO-INIZCTEOSA-N 1 1 260.381 2.310 20 10 CECDMO CN1CCC[C@]2(CC[N@@H+](Cc3ccccc3O)C2)C1 ZINC000293617485 277086738 /nfs/dbraw/zinc/08/67/38/277086738.db2.gz KMHMZXZMJLCGBO-INIZCTEOSA-N 1 1 260.381 2.310 20 10 CECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H](OC)C2CC2)c1 ZINC000293647297 277161024 /nfs/dbraw/zinc/16/10/24/277161024.db2.gz HOKXJVVQKBVGHV-BONVTDFDSA-N 1 1 293.363 2.254 20 10 CECDMO C[C@H]([NH2+]CCSCCCO)c1ccc(F)cc1O ZINC000185378676 327839154 /nfs/dbraw/zinc/83/91/54/327839154.db2.gz PQZHFNQFIWNRHC-JTQLQIEISA-N 1 1 273.373 2.298 20 10 CECDMO O=C1OC[C@H]2C[N@@H+](Cc3c(O)ccc4ccccc43)CCN12 ZINC000378346351 329046967 /nfs/dbraw/zinc/04/69/67/329046967.db2.gz QGILXLHUHGYEQM-CYBMUJFWSA-N 1 1 298.342 2.182 20 10 CECDMO Cc1cccc(CN[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1O ZINC000224543383 333222322 /nfs/dbraw/zinc/22/23/22/333222322.db2.gz IYDYLPIRXCNAFK-GJZGRUSLSA-N 1 1 260.381 2.417 20 10 CECDMO Cc1cccc(CN[C@H]2CC[N@H+]3CCCC[C@@H]23)c1O ZINC000224543383 333222323 /nfs/dbraw/zinc/22/23/23/333222323.db2.gz IYDYLPIRXCNAFK-GJZGRUSLSA-N 1 1 260.381 2.417 20 10 CECDMO CCOc1cccc(C[N@@H+]2CC[C@H](N3CCCC3)C2)c1O ZINC000133956570 334074962 /nfs/dbraw/zinc/07/49/62/334074962.db2.gz BPSSFEKBABGTRP-HNNXBMFYSA-N 1 1 290.407 2.461 20 10 CECDMO CCOc1cccc(C[N@H+]2CC[C@H](N3CCCC3)C2)c1O ZINC000133956570 334074964 /nfs/dbraw/zinc/07/49/64/334074964.db2.gz BPSSFEKBABGTRP-HNNXBMFYSA-N 1 1 290.407 2.461 20 10 CECDMO CCOc1ccc(O)c(C[N@@H+](C)CCN(C)C2CC2)c1 ZINC000290373782 521141355 /nfs/dbraw/zinc/14/13/55/521141355.db2.gz HPZCFRCNNDZGAK-UHFFFAOYSA-N 1 1 278.396 2.317 20 10 CECDMO CCOc1ccc(O)c(CN(C)CC[N@@H+](C)C2CC2)c1 ZINC000290373782 521141344 /nfs/dbraw/zinc/14/13/44/521141344.db2.gz HPZCFRCNNDZGAK-UHFFFAOYSA-N 1 1 278.396 2.317 20 10 CECDMO CCOc1ccc(O)c(C[N@H+](C)CCN(C)C2CC2)c1 ZINC000290373782 521141352 /nfs/dbraw/zinc/14/13/52/521141352.db2.gz HPZCFRCNNDZGAK-UHFFFAOYSA-N 1 1 278.396 2.317 20 10 CECDMO CCOC1CC(O)(C[NH2+][C@H](C)c2ccc(F)cc2O)C1 ZINC000278504498 521652956 /nfs/dbraw/zinc/65/29/56/521652956.db2.gz QUSRNNMLHUCCJB-CKQAKLJMSA-N 1 1 283.343 2.112 20 10 CECDMO CN(C)c1ccc(C[N@H+]2CC[C@@](O)(C3CC3)C2)cc1 ZINC000365853013 522180875 /nfs/dbraw/zinc/18/08/75/522180875.db2.gz BUAGJUGAUALBOB-INIZCTEOSA-N 1 1 260.381 2.099 20 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1 1 290.367 2.037 20 10 CECDMO CCC[N@@H+](CC(=O)N(C)CC)Cc1ccccc1O ZINC000727830519 574456896 /nfs/dbraw/zinc/45/68/96/574456896.db2.gz AATYRLRUQFTIKP-UHFFFAOYSA-N 1 1 264.369 2.083 20 10 CECDMO CCNC(=O)C[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000733613235 574682893 /nfs/dbraw/zinc/68/28/93/574682893.db2.gz GGJYHUCTABGDMB-UHFFFAOYSA-N 1 1 276.380 2.273 20 10 CECDMO C[C@H](CC[S@](C)=O)[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756742356 574823296 /nfs/dbraw/zinc/82/32/96/574823296.db2.gz KYKKMGDOHDIDQU-MGOSUKFUSA-N 1 1 291.363 2.478 20 10 CECDMO COC[C@@H]1CCC[N@H+]1Cc1cc2c(cc1O)CCC2 ZINC000751950143 575302457 /nfs/dbraw/zinc/30/24/57/575302457.db2.gz PMLWEMGCAXHVPR-HNNXBMFYSA-N 1 1 261.365 2.492 20 10 CECDMO CC[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1cccc(Cl)c1[O-] ZINC000806159842 622636205 /nfs/dbraw/zinc/63/62/05/622636205.db2.gz MVJRQEBCEVXBHJ-DZGCQCFKSA-N 1 1 298.814 2.153 20 10 CECDMO CC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1cccc(Cl)c1[O-] ZINC000806159842 622636206 /nfs/dbraw/zinc/63/62/06/622636206.db2.gz MVJRQEBCEVXBHJ-DZGCQCFKSA-N 1 1 298.814 2.153 20 10 CECDMO CC[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1cccc(Cl)c1[O-] ZINC000806137092 623230165 /nfs/dbraw/zinc/23/01/65/623230165.db2.gz GQMGBIISYZJOOW-ZWNOBZJWSA-N 1 1 286.803 2.009 20 10 CECDMO COC[C@@H]1CCCC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000307790792 623360903 /nfs/dbraw/zinc/36/09/03/623360903.db2.gz VHLMXKJIJQEAAP-LBPRGKRZSA-N 1 1 279.336 2.122 20 10 CECDMO COC[C@H]1CCCC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000307790788 623468732 /nfs/dbraw/zinc/46/87/32/623468732.db2.gz VHLMXKJIJQEAAP-GFCCVEGCSA-N 1 1 279.336 2.122 20 10 CECDMO CC(=O)NCC[N@H+](C)Cc1c(O)ccc2ccccc21 ZINC000308194741 623611808 /nfs/dbraw/zinc/61/18/08/623611808.db2.gz QCBADFOUYREDPH-UHFFFAOYSA-N 1 1 272.348 2.113 20 10 CECDMO COc1ccc(C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)c(O)c1OC ZINC000892112921 624327221 /nfs/dbraw/zinc/32/72/21/624327221.db2.gz CUOHRYGTMDGEGR-TXEJJXNPSA-N 1 1 277.364 2.497 20 10 CECDMO C[C@@]1(O)CC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000180193504 627278699 /nfs/dbraw/zinc/27/86/99/627278699.db2.gz FHBOYGWVZMGQQK-GFCCVEGCSA-N 1 1 286.169 2.111 20 10 CECDMO C[C@@]1(O)CC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000180193504 627278705 /nfs/dbraw/zinc/27/87/05/627278705.db2.gz FHBOYGWVZMGQQK-GFCCVEGCSA-N 1 1 286.169 2.111 20 10 CECDMO C[C@@]1(O)CC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000180193504 627278710 /nfs/dbraw/zinc/27/87/10/627278710.db2.gz FHBOYGWVZMGQQK-GFCCVEGCSA-N 1 1 286.169 2.111 20 10 CECDMO OC[C@@H]1CCC[N@H+](Cc2cccc(F)c2O)CC1 ZINC000294076983 627871549 /nfs/dbraw/zinc/87/15/49/627871549.db2.gz QVPRTPOMPKQODJ-LLVKDONJSA-N 1 1 253.317 2.126 20 10 CECDMO OC[C@@H]1CCC[N@@H+](Cc2cccc(F)c2O)CC1 ZINC000294076983 627871554 /nfs/dbraw/zinc/87/15/54/627871554.db2.gz QVPRTPOMPKQODJ-LLVKDONJSA-N 1 1 253.317 2.126 20 10 CECDMO C[N@H+](Cc1cc(F)ccc1O)CC1CCOCC1 ZINC000180134900 628072814 /nfs/dbraw/zinc/07/28/14/628072814.db2.gz QDPZOPXYCWKOBJ-UHFFFAOYSA-N 1 1 253.317 2.390 20 10 CECDMO c1cc2c(cc1CNCCC[NH2+]C1CC1)CCCO2 ZINC000228410785 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QQEULYGWFKFGEF-WSXGPOFGSA-N 1 1 260.381 2.221 20 10 CECDMO Cc1ccc(C[N@H+]2CCC[C@H](C3OCCO3)C2)c(O)c1 ZINC000876679059 650395788 /nfs/dbraw/zinc/39/57/88/650395788.db2.gz BDBMAIKSDPIDGI-AWEZNQCLSA-N 1 1 277.364 2.286 20 10 CECDMO Cc1ccc(C[N@H+]2CCCC[C@H]2C2OCCO2)c(O)c1 ZINC000876680297 650396640 /nfs/dbraw/zinc/39/66/40/650396640.db2.gz ZFAXEFMKAYNDEM-AWEZNQCLSA-N 1 1 277.364 2.428 20 10 CECDMO Cc1cccc(O)c1C[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000876762685 650423680 /nfs/dbraw/zinc/42/36/80/650423680.db2.gz JPDGQZFODPKCCK-GFCCVEGCSA-N 1 1 275.270 2.200 20 10 CECDMO Cc1ccc(C[N@@H+](C)[C@@H](C)C(=O)OC(C)C)c(O)c1 ZINC000876779506 650429264 /nfs/dbraw/zinc/42/92/64/650429264.db2.gz HMYDQGZCVKMMNU-LBPRGKRZSA-N 1 1 265.353 2.473 20 10 CECDMO Cc1ccc(C[N@H+](C)[C@@H](C)C(=O)OC(C)C)c(O)c1 ZINC000876779506 650429265 /nfs/dbraw/zinc/42/92/65/650429265.db2.gz HMYDQGZCVKMMNU-LBPRGKRZSA-N 1 1 265.353 2.473 20 10 CECDMO Cc1cc(N(C)C)ccc1C[N@@H+]1CCc2c[nH]nc2C1 ZINC000840917846 639585867 /nfs/dbraw/zinc/58/58/67/639585867.db2.gz OHCFTKUJPQQPRR-UHFFFAOYSA-N 1 1 270.380 2.342 20 10 CECDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCc2c[nH]nc2C1 ZINC000840917846 639585872 /nfs/dbraw/zinc/58/58/72/639585872.db2.gz OHCFTKUJPQQPRR-UHFFFAOYSA-N 1 1 270.380 2.342 20 10 CECDMO Cc1cc(N(C)C)ccc1C[NH+]1C[C@@H](C)S(=O)[C@H](C)C1 ZINC000840941813 639595437 /nfs/dbraw/zinc/59/54/37/639595437.db2.gz MREMCYGPNSLNNA-ZIAGYGMSSA-N 1 1 294.464 2.402 20 10 CECDMO C[C@@H]1[C@H](CO)CCC[N@H+]1Cc1cc(F)ccc1O ZINC000840978546 639607609 /nfs/dbraw/zinc/60/76/09/639607609.db2.gz OIMYYEWHCWHKJV-MNOVXSKESA-N 1 1 253.317 2.124 20 10 CECDMO COC(=O)[C@@]1(C)CCC[N@@H+](Cc2cc(C)ccc2O)C1 ZINC000840975148 639607616 /nfs/dbraw/zinc/60/76/16/639607616.db2.gz LUWBPGZDKQIHFF-INIZCTEOSA-N 1 1 277.364 2.476 20 10 CECDMO COC(=O)[C@@H]1CSCC[N@@H+](Cc2cccc(C)c2O)C1 ZINC000840979009 639608608 /nfs/dbraw/zinc/60/86/08/639608608.db2.gz YONLCFNJGBCJAM-ZDUSSCGKSA-N 1 1 295.404 2.039 20 10 CECDMO CCN(CC)c1ccc(C[N@@H+]2CCO[C@H]([C@H](C)O)C2)cc1 ZINC000840978906 639609172 /nfs/dbraw/zinc/60/91/72/639609172.db2.gz XAXVTOBCWGPGKA-YOEHRIQHSA-N 1 1 292.423 2.114 20 10 CECDMO CCN(CC)c1ccc(C[N@H+]2CCO[C@H]([C@H](C)O)C2)cc1 ZINC000840978906 639609176 /nfs/dbraw/zinc/60/91/76/639609176.db2.gz XAXVTOBCWGPGKA-YOEHRIQHSA-N 1 1 292.423 2.114 20 10 CECDMO CCOCc1cc(C[NH2+][C@H](CN)C2CC2)ccc1OC ZINC000841027501 639620512 /nfs/dbraw/zinc/62/05/12/639620512.db2.gz CKJWPYAOIXKFOT-OAHLLOKOSA-N 1 1 278.396 2.059 20 10 CECDMO Cc1cc(Cl)cc(CNC[C@@H]([NH3+])C2CC2)c1O ZINC000841051244 639633702 /nfs/dbraw/zinc/63/37/02/639633702.db2.gz XCQGTTVVLPXRJO-GFCCVEGCSA-N 1 1 254.761 2.181 20 10 CECDMO [O-]c1cccc(Cl)c1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000841056929 639634838 /nfs/dbraw/zinc/63/48/38/639634838.db2.gz FZPRZFFOGBJNLY-SNVBAGLBSA-N 1 1 254.761 2.277 20 10 CECDMO CCOCc1cc(CN[C@H]2CC[NH2+][C@@H](C)C2)ccc1OC ZINC000841062078 639638127 /nfs/dbraw/zinc/63/81/27/639638127.db2.gz SKESUYVWEXOPMS-BBRMVZONSA-N 1 1 292.423 2.462 20 10 CECDMO COc1cccc(O)c1CN[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000841090186 639653641 /nfs/dbraw/zinc/65/36/41/639653641.db2.gz WXCIMRDWDRNOSZ-LBPRGKRZSA-N 1 1 276.380 2.165 20 10 CECDMO C[C@@H]([NH2+]CCc1ccn(C)n1)c1ccc(F)cc1O ZINC000230897544 639804957 /nfs/dbraw/zinc/80/49/57/639804957.db2.gz MFBQOUBWKNNHTA-SNVBAGLBSA-N 1 1 263.316 2.158 20 10 CECDMO C[NH2+]CC1CC[NH+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000063158847 639836344 /nfs/dbraw/zinc/83/63/44/639836344.db2.gz UQKOJDNPEOGMEZ-UHFFFAOYSA-N 1 1 268.788 2.477 20 10 CECDMO COc1cc(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)c(O)cc1C ZINC000842627234 640124716 /nfs/dbraw/zinc/12/47/16/640124716.db2.gz UNKWOAPALWCQIZ-DOMZBBRYSA-N 1 1 277.364 2.320 20 10 CECDMO CC[N@@H+](CCSC)Cc1cc2c(cc1O)OC[C@H]2O ZINC000842647537 640133883 /nfs/dbraw/zinc/13/38/83/640133883.db2.gz ZOBGZBABPGVJCX-CYBMUJFWSA-N 1 1 283.393 2.003 20 10 CECDMO CC[C@H]([NH2+]CCCc1ncn(C)n1)c1ccc(F)cc1O ZINC000842904658 640216894 /nfs/dbraw/zinc/21/68/94/640216894.db2.gz VSNDZAYRJKSYGJ-ZDUSSCGKSA-N 1 1 292.358 2.333 20 10 CECDMO CC[C@@H]1C[N@@H+](Cc2cccc(F)c2[O-])CC[C@H]1[NH3+] ZINC000843052744 640256190 /nfs/dbraw/zinc/25/61/90/640256190.db2.gz SHKFXQWVRZXZSE-ZWNOBZJWSA-N 1 1 252.333 2.091 20 10 CECDMO C[C@H]([NH3+])[C@@H]1CCN(Cc2ccc(N(C)C)c(F)c2)C1 ZINC000843058674 640260924 /nfs/dbraw/zinc/26/09/24/640260924.db2.gz VSJXVTDCYSQTPM-WCQYABFASA-N 1 1 265.376 2.061 20 10 CECDMO [O-]c1c(F)cccc1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000843124366 640291295 /nfs/dbraw/zinc/29/12/95/640291295.db2.gz ZGVHCKXPCILRPE-HNNXBMFYSA-N 1 1 264.344 2.107 20 10 CECDMO Oc1c(F)cccc1CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000843124366 640291298 /nfs/dbraw/zinc/29/12/98/640291298.db2.gz ZGVHCKXPCILRPE-HNNXBMFYSA-N 1 1 264.344 2.107 20 10 CECDMO Cc1cc(N(C)C)ccc1CN1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000843125916 640292460 /nfs/dbraw/zinc/29/24/60/640292460.db2.gz CLJWJPXDSSWJEJ-RDJZCZTQSA-N 1 1 273.424 2.245 20 10 CECDMO Oc1cc2c(cc1C[N@H+]1CCOC[C@@H]1C1CCC1)OCO2 ZINC000843428715 640427724 /nfs/dbraw/zinc/42/77/24/640427724.db2.gz MBMAJWJQMABOPQ-CYBMUJFWSA-N 1 1 291.347 2.122 20 10 CECDMO COc1c(O)c(C[NH2+][C@H]2CCS[C@@H]2C)ccc1[N+](=O)[O-] ZINC000843434780 640430382 /nfs/dbraw/zinc/43/03/82/640430382.db2.gz NWBNYLYYDWKEFW-SCZZXKLOSA-N 1 1 298.364 2.293 20 10 CECDMO CCC[C@@H]1C[N@@H+](Cc2cc(OC)ccc2O)CCO1 ZINC000180318778 641447461 /nfs/dbraw/zinc/44/74/61/641447461.db2.gz DOYDBFMORKZNPE-CQSZACIVSA-N 1 1 265.353 2.402 20 10 CECDMO Cc1ccc(C[N@H+]2CCOC[C@H]2[C@@H]2CCCC2=O)c(O)c1 ZINC000877465846 650731768 /nfs/dbraw/zinc/73/17/68/650731768.db2.gz YXJQBXWBQUOSMN-GJZGRUSLSA-N 1 1 289.375 2.271 20 10 CECDMO Cc1ccc(C[N@H+]2CCCC[C@@H](S(C)(=O)=O)C2)c(O)c1 ZINC000877480793 650741679 /nfs/dbraw/zinc/74/16/79/650741679.db2.gz HZKONQUKEOLPHA-CQSZACIVSA-N 1 1 297.420 2.100 20 10 CECDMO Cc1cccc(O)c1C[N@@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000877486893 650745368 /nfs/dbraw/zinc/74/53/68/650745368.db2.gz SUSWHCQPCRTBKQ-AWEZNQCLSA-N 1 1 291.391 2.471 20 10 CECDMO c1c(C[NH2+]Cc2ccc3c(c2)CCO3)nn2c1CCC2 ZINC000850112596 642583335 /nfs/dbraw/zinc/58/33/35/642583335.db2.gz ZXAXLURXFHWHAI-UHFFFAOYSA-N 1 1 269.348 2.054 20 10 CECDMO COc1ccc(O)c(C[NH2+]Cc2cn(C3CCC3)nn2)c1 ZINC000850137391 642591268 /nfs/dbraw/zinc/59/12/68/642591268.db2.gz OYNGLWMMNFUGBN-UHFFFAOYSA-N 1 1 288.351 2.007 20 10 CECDMO COc1ccc(N2CC[C@@H]([NH2+]Cc3n[nH]cc3C)C2)cc1 ZINC000850345973 642675331 /nfs/dbraw/zinc/67/53/31/642675331.db2.gz AXNSWBPKTWTNGZ-CYBMUJFWSA-N 1 1 286.379 2.095 20 10 CECDMO CN1CCN(c2ccc(C[NH2+][C@@H]3[C@@H]4CCC[C@@H]43)cc2)CC1 ZINC000850393442 642698455 /nfs/dbraw/zinc/69/84/55/642698455.db2.gz SPIKDGNQKVDIIK-BCDXTJNWSA-N 1 1 285.435 2.327 20 10 CECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H]2COC(C)(C)C2)c1 ZINC000850482842 642728151 /nfs/dbraw/zinc/72/81/51/642728151.db2.gz SEZHKUMXFQPGDU-ZYHUDNBSSA-N 1 1 293.363 2.397 20 10 CECDMO CCO[C@H]1C[C@H]([NH2+][C@@H](C)c2cc(C(=O)OC)ccc2O)C1 ZINC000850515602 642737313 /nfs/dbraw/zinc/73/73/13/642737313.db2.gz ZLVFABADBJZFLT-DRZSPHRISA-N 1 1 293.363 2.397 20 10 CECDMO COC(=O)[C@@]1(C)CCC[N@@H+](Cc2c(C)cccc2O)C1 ZINC000877591550 650804169 /nfs/dbraw/zinc/80/41/69/650804169.db2.gz FSQFAUDJUUFDOO-INIZCTEOSA-N 1 1 277.364 2.476 20 10 CECDMO COC(=O)C[N@H+](Cc1cc(C)c(C)cc1O)C(C)C ZINC000093287093 643142485 /nfs/dbraw/zinc/14/24/85/643142485.db2.gz PBIWDGCTYBLVPH-UHFFFAOYSA-N 1 1 265.353 2.392 20 10 CECDMO COC(=O)C[N@@H+](Cc1cc(C)c(C)cc1O)C(C)C ZINC000093287093 643142488 /nfs/dbraw/zinc/14/24/88/643142488.db2.gz PBIWDGCTYBLVPH-UHFFFAOYSA-N 1 1 265.353 2.392 20 10 CECDMO CC(=O)c1nc(CC[N@H+](C)Cc2ccccc2O)[nH]c1C ZINC000851840160 643186112 /nfs/dbraw/zinc/18/61/12/643186112.db2.gz AMIUPSCKSMCHOE-UHFFFAOYSA-N 1 1 287.363 2.301 20 10 CECDMO CC(=O)c1[nH]c(CC[N@@H+](C)Cc2ccccc2O)nc1C ZINC000851840160 643186115 /nfs/dbraw/zinc/18/61/15/643186115.db2.gz AMIUPSCKSMCHOE-UHFFFAOYSA-N 1 1 287.363 2.301 20 10 CECDMO CC(=O)c1[nH]c(CC[N@H+](C)Cc2ccccc2O)nc1C ZINC000851840160 643186120 /nfs/dbraw/zinc/18/61/20/643186120.db2.gz AMIUPSCKSMCHOE-UHFFFAOYSA-N 1 1 287.363 2.301 20 10 CECDMO Cc1ccc(C[N@H+]2CC[C@@H](CN3CCCC3=O)C2)c(O)c1 ZINC000877638727 650829664 /nfs/dbraw/zinc/82/96/64/650829664.db2.gz MILPISTTWGISJC-CQSZACIVSA-N 1 1 288.391 2.145 20 10 CECDMO Cc1ccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c(O)c1 ZINC000877657047 650836668 /nfs/dbraw/zinc/83/66/68/650836668.db2.gz GEZPGCKIAVBFFK-BIENJYKASA-N 1 1 279.405 2.186 20 10 CECDMO OC[C@@H]1C[N@@H+](Cc2cc(F)ccc2O)C[C@H]1C(F)(F)F ZINC000877693961 650855040 /nfs/dbraw/zinc/85/50/40/650855040.db2.gz WBAKXSLTXPFPEH-GXSJLCMTSA-N 1 1 293.260 2.134 20 10 CECDMO COc1cc(C)cc(C[N@H+]2C[C@@H]3COC[C@@]3(C)C2)c1O ZINC000853566126 643814477 /nfs/dbraw/zinc/81/44/77/643814477.db2.gz MCXDFDXPAFBRGS-CZUORRHYSA-N 1 1 277.364 2.178 20 10 CECDMO COc1cc(O)c(C[N@H+]2CC[C@@H]3C[C@@H]3C2)cc1OC ZINC000853576793 643818810 /nfs/dbraw/zinc/81/88/10/643818810.db2.gz QVJWWQKMDVOEAU-GHMZBOCLSA-N 1 1 263.337 2.251 20 10 CECDMO C[N@H+]1CCC[C@H](CC[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000839183556 644182319 /nfs/dbraw/zinc/18/23/19/644182319.db2.gz YGCFHCKIOXMEHZ-GFCCVEGCSA-N 1 1 293.367 2.122 20 10 CECDMO Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)c(O)c1O ZINC000855287409 644295556 /nfs/dbraw/zinc/29/55/56/644295556.db2.gz BYLMAKPMGJUKSG-LLVKDONJSA-N 1 1 292.379 2.009 20 10 CECDMO C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756555115 644664682 /nfs/dbraw/zinc/66/46/82/644664682.db2.gz RGWZWFNTZXZMAK-NEPJUHHUSA-N 1 1 293.367 2.293 20 10 CECDMO C[C@H]([NH2+]CCOC[C@H]1CCCO1)c1ccc(F)cc1O ZINC000756583313 644671774 /nfs/dbraw/zinc/67/17/74/644671774.db2.gz NBCXCZNKLXAJLV-WCQYABFASA-N 1 1 283.343 2.378 20 10 CECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@]2(C)CCCO2)c1 ZINC000756645404 644677707 /nfs/dbraw/zinc/67/77/07/644677707.db2.gz JDIWHSTWPFQIOR-MEDUHNTESA-N 1 1 293.363 2.399 20 10 CECDMO C[C@H]([NH2+]CC(=O)NC1CCCC1)c1ccc(F)cc1O ZINC000756704016 644684492 /nfs/dbraw/zinc/68/44/92/644684492.db2.gz DIDYINKZWVLOMF-JTQLQIEISA-N 1 1 280.343 2.241 20 10 CECDMO C[C@H](C[S@@](C)=O)[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000757654495 644830713 /nfs/dbraw/zinc/83/07/13/644830713.db2.gz ASJRBSFPSUVQLQ-PUERIAAYSA-N 1 1 277.336 2.088 20 10 CECDMO Cc1cc(C[N@H+](C)[C@H]2CCNC2=O)c(O)c(C(C)(C)C)c1 ZINC000758398232 644925878 /nfs/dbraw/zinc/92/58/78/644925878.db2.gz IHFMWYOCBBSOOV-AWEZNQCLSA-N 1 1 290.407 2.318 20 10 CECDMO Cc1cc(O)c(C[N@@H+](C)[C@@H]2CCNC2=O)cc1C(C)C ZINC000758403108 644926567 /nfs/dbraw/zinc/92/65/67/644926567.db2.gz WZPGKYUPLULEHS-CQSZACIVSA-N 1 1 276.380 2.144 20 10 CECDMO CN(C)c1cc(F)c(CN[C@@H]2CCC[N@H+](C)C2)cc1F ZINC000858105385 645061987 /nfs/dbraw/zinc/06/19/87/645061987.db2.gz FXHPZXBFZUCTBE-GFCCVEGCSA-N 1 1 283.366 2.215 20 10 CECDMO CN(C)c1cc(F)c(CN[C@@H]2CCC[N@@H+](C)C2)cc1F ZINC000858105385 645061995 /nfs/dbraw/zinc/06/19/95/645061995.db2.gz FXHPZXBFZUCTBE-GFCCVEGCSA-N 1 1 283.366 2.215 20 10 CECDMO COc1cccc(O)c1CNC[C@@H]1CCCC[N@H+](C)C1 ZINC000858245735 645097802 /nfs/dbraw/zinc/09/78/02/645097802.db2.gz WQBSPGRZGIIURQ-ZDUSSCGKSA-N 1 1 278.396 2.222 20 10 CECDMO COc1cccc(O)c1CNC[C@@H]1CCCC[N@@H+](C)C1 ZINC000858245735 645097806 /nfs/dbraw/zinc/09/78/06/645097806.db2.gz WQBSPGRZGIIURQ-ZDUSSCGKSA-N 1 1 278.396 2.222 20 10 CECDMO CCC[N@@H+](CC)CCNC(=O)NCc1cc(C)ccc1O ZINC000858286874 645107427 /nfs/dbraw/zinc/10/74/27/645107427.db2.gz IOZBGWPHCGMHNE-UHFFFAOYSA-N 1 1 293.411 2.232 20 10 CECDMO C[N@@H+](Cc1c(O)cccc1Cl)CC1(O)CCC1 ZINC000761220209 645259548 /nfs/dbraw/zinc/25/95/48/645259548.db2.gz WLWKGSYZHQZEST-UHFFFAOYSA-N 1 1 255.745 2.392 20 10 CECDMO CN(C)c1ccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)cc1 ZINC000859886590 645646906 /nfs/dbraw/zinc/64/69/06/645646906.db2.gz JYNRLMXVBZEOLD-GQIGUUNPSA-N 1 1 292.448 2.238 20 10 CECDMO CCC[C@H]1C(=O)NCC[N@@H+]1Cc1c(O)ccc2ccncc21 ZINC000765716355 645801946 /nfs/dbraw/zinc/80/19/46/645801946.db2.gz GMLNRBPVUYPTCX-HNNXBMFYSA-N 1 1 299.374 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ZINC000844733762 640820929 /nfs/dbraw/zinc/82/09/29/640820929.db2.gz XKZOQMQLTPQQKZ-AAEUAGOBSA-N 1 1 295.379 2.409 20 10 CECDMO CC[C@H]1C[N@@H+](Cc2cc(OC)c(OC)cc2O)[C@@H](C)CO1 ZINC000844733762 640820933 /nfs/dbraw/zinc/82/09/33/640820933.db2.gz XKZOQMQLTPQQKZ-AAEUAGOBSA-N 1 1 295.379 2.409 20 10 CECDMO Oc1cc2c(cc1C[N@H+]1CC[C@]3(CC3(F)F)C1)[C@H](O)CO2 ZINC000844756296 640828674 /nfs/dbraw/zinc/82/86/74/640828674.db2.gz JXAHIFUOVGGOAF-OCCSQVGLSA-N 1 1 297.301 2.049 20 10 CECDMO COc1ccc(N(C)CCN(C)C[C@]2(C)CC[NH2+]C2)cc1 ZINC000844902346 640860205 /nfs/dbraw/zinc/86/02/05/640860205.db2.gz PUYMREAKAGDPSU-QGZVFWFLSA-N 1 1 291.439 2.063 20 10 CECDMO CC(C)C[N@@H+](C)CCCNC(=O)NCc1ccccc1O ZINC000844940717 640872074 /nfs/dbraw/zinc/87/20/74/640872074.db2.gz YANLOCAXAMGHKK-UHFFFAOYSA-N 1 1 293.411 2.169 20 10 CECDMO COc1cccc([C@@H](C)[NH2+]Cc2nnc(C3CC3)[nH]2)c1O ZINC000846170601 641211271 /nfs/dbraw/zinc/21/12/71/641211271.db2.gz PHUFXPWECIEKIA-SECBINFHSA-N 1 1 288.351 2.247 20 10 CECDMO C[C@@H]1[C@H](C(=O)NCc2cc(Cl)ccc2O)CC[N@H+]1C ZINC000846476790 641312883 /nfs/dbraw/zinc/31/28/83/641312883.db2.gz OVBPNWBYTJMQMT-BXKDBHETSA-N 1 1 282.771 2.002 20 10 CECDMO CCc1cccc(C[N@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)c1O ZINC000848891225 642174266 /nfs/dbraw/zinc/17/42/66/642174266.db2.gz XMBITURHDSYJQO-JKSUJKDBSA-N 1 1 291.391 2.334 20 10 CECDMO CCc1cccc(C[N@H+]2CCOC[C@H]2[C@H]2CCCO2)c1O ZINC000848910161 642185040 /nfs/dbraw/zinc/18/50/40/642185040.db2.gz HLEDPOZKDFLBJP-JKSUJKDBSA-N 1 1 291.391 2.334 20 10 CECDMO CCc1cccc(C[N@@H+]2CCO[C@H](C(F)F)C2)c1O ZINC000848909040 642185265 /nfs/dbraw/zinc/18/52/65/642185265.db2.gz JGHBAQAMSINQQW-LBPRGKRZSA-N 1 1 271.307 2.421 20 10 CECDMO CCc1cccc(C[N@H+]2CCO[C@H](C(F)F)C2)c1O ZINC000848909040 642185267 /nfs/dbraw/zinc/18/52/67/642185267.db2.gz JGHBAQAMSINQQW-LBPRGKRZSA-N 1 1 271.307 2.421 20 10 CECDMO Cc1cccc(O)c1C[N@H+]1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC000877487084 650745441 /nfs/dbraw/zinc/74/54/41/650745441.db2.gz 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642678853 /nfs/dbraw/zinc/67/88/53/642678853.db2.gz WOYPICKYRXLZNI-CMPLNLGQSA-N 1 1 288.351 2.178 20 10 CECDMO Cc1cc(Br)c(O)c(C[NH2+]C/C=C\CO)c1 ZINC000850357510 642681352 /nfs/dbraw/zinc/68/13/52/642681352.db2.gz LZTROKYIKOVFQS-IHWYPQMZSA-N 1 1 286.169 2.101 20 10 CECDMO Cc1cccc(O)c1C[N@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000877572634 650795134 /nfs/dbraw/zinc/79/51/34/650795134.db2.gz RLQJOGLCEZSKME-MFKMUULPSA-N 1 1 289.297 2.446 20 10 CECDMO CC(C)N(C(=O)C[N@@H+](C)Cc1ccccc1O)C(C)C ZINC000109773393 642925962 /nfs/dbraw/zinc/92/59/62/642925962.db2.gz QULDTGKWMLIDCT-UHFFFAOYSA-N 1 1 278.396 2.469 20 10 CECDMO CCCn1cc(C[NH2+]Cc2cc(Cl)ccc2O)nn1 ZINC000877612976 650814245 /nfs/dbraw/zinc/81/42/45/650814245.db2.gz RSBGOQYAXLMIJA-UHFFFAOYSA-N 1 1 280.759 2.337 20 10 CECDMO CO[C@H](C[N@@H+](C)Cc1ccc(N(C)C)cc1)[C@@H]1CCOC1 ZINC000851720754 643125869 /nfs/dbraw/zinc/12/58/69/643125869.db2.gz RYNNLZFTXZXCGT-NVXWUHKLSA-N 1 1 292.423 2.236 20 10 CECDMO CCN(C)c1ccc(C[N@H+]2CCC[C@@H](CO)C2)cc1 ZINC000773734253 643175505 /nfs/dbraw/zinc/17/55/05/643175505.db2.gz NTRNAJZHAQJOEL-OAHLLOKOSA-N 1 1 262.397 2.347 20 10 CECDMO Oc1ccccc1C[N@@H+](CCc1c[nH]nn1)Cc1ccco1 ZINC000851841362 643187242 /nfs/dbraw/zinc/18/72/42/643187242.db2.gz PLHGBDFQAPJHFT-UHFFFAOYSA-N 1 1 298.346 2.348 20 10 CECDMO Oc1ccccc1C[N@H+](CCc1cn[nH]n1)Cc1ccco1 ZINC000851841362 643187247 /nfs/dbraw/zinc/18/72/47/643187247.db2.gz PLHGBDFQAPJHFT-UHFFFAOYSA-N 1 1 298.346 2.348 20 10 CECDMO Oc1ccccc1C[N@@H+](CCc1cn[nH]n1)Cc1ccco1 ZINC000851841362 643187249 /nfs/dbraw/zinc/18/72/49/643187249.db2.gz PLHGBDFQAPJHFT-UHFFFAOYSA-N 1 1 298.346 2.348 20 10 CECDMO CC(=O)c1cc(F)cc(C[N@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)c1O ZINC000852500646 643446080 /nfs/dbraw/zinc/44/60/80/643446080.db2.gz BZYHNMCNSOTHLM-RTUWITSCSA-N 1 1 295.354 2.183 20 10 CECDMO COCC[N@H+](CCF)Cc1cc(C)cc(OC)c1O ZINC000853548460 643810633 /nfs/dbraw/zinc/81/06/33/643810633.db2.gz CWOHHAWOZZIJRA-UHFFFAOYSA-N 1 1 271.332 2.127 20 10 CECDMO COCC[N@@H+](CCF)Cc1cc(C)cc(OC)c1O ZINC000853548460 643810635 /nfs/dbraw/zinc/81/06/35/643810635.db2.gz CWOHHAWOZZIJRA-UHFFFAOYSA-N 1 1 271.332 2.127 20 10 CECDMO Cc1cc(O)c(C[N@H+]2CC[C@H]3COC[C@H]3C2)cc1C ZINC000853586288 643823655 /nfs/dbraw/zinc/82/36/55/643823655.db2.gz OOINFKKSUDYMHB-DZGCQCFKSA-N 1 1 261.365 2.477 20 10 CECDMO Cc1cc(O)c(C[N@H+]2CC[C@@H]3COC[C@@H]3C2)cc1C ZINC000853586290 643824126 /nfs/dbraw/zinc/82/41/26/643824126.db2.gz OOINFKKSUDYMHB-HIFRSBDPSA-N 1 1 261.365 2.477 20 10 CECDMO Cc1ccc(O)c(CN2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c1 ZINC000877742877 650887636 /nfs/dbraw/zinc/88/76/36/650887636.db2.gz GWAAMDLFVFAYKH-DZGCQCFKSA-N 1 1 260.381 2.227 20 10 CECDMO Cc1ccc(O)c(CN2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c1 ZINC000877742877 650887638 /nfs/dbraw/zinc/88/76/38/650887638.db2.gz GWAAMDLFVFAYKH-DZGCQCFKSA-N 1 1 260.381 2.227 20 10 CECDMO COc1cccc(CN2CC[N@@H+](C)[C@@H](C(C)C)C2)c1O ZINC000877750161 650893212 /nfs/dbraw/zinc/89/32/12/650893212.db2.gz BRVJGBSNIXUKNB-CQSZACIVSA-N 1 1 278.396 2.173 20 10 CECDMO COc1cccc(C[N@@H+]2CCN(C)[C@@H](C(C)C)C2)c1O ZINC000877750161 650893215 /nfs/dbraw/zinc/89/32/15/650893215.db2.gz BRVJGBSNIXUKNB-CQSZACIVSA-N 1 1 278.396 2.173 20 10 CECDMO COc1cccc(C[N@H+]2CCN(C)[C@@H](C(C)C)C2)c1O ZINC000877750161 650893220 /nfs/dbraw/zinc/89/32/20/650893220.db2.gz BRVJGBSNIXUKNB-CQSZACIVSA-N 1 1 278.396 2.173 20 10 CECDMO CN(C)c1ccc(C[N@H+]2C[C@H](O)CC(C)(C)C2)cc1F ZINC000877752660 650896253 /nfs/dbraw/zinc/89/62/53/650896253.db2.gz HAPHFPTUGZKVOZ-CYBMUJFWSA-N 1 1 280.387 2.485 20 10 CECDMO CCOc1ccc(C[N@H+]2CCC[C@@H]3COC[C@@H]32)c(O)c1 ZINC000839187761 644184181 /nfs/dbraw/zinc/18/41/81/644184181.db2.gz NQPZXBXFZYUORA-HIFRSBDPSA-N 1 1 277.364 2.402 20 10 CECDMO Cc1cc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)on1 ZINC000113336216 644356714 /nfs/dbraw/zinc/35/67/14/644356714.db2.gz PQFKMBSFIFJVKS-UHFFFAOYSA-N 1 1 263.316 2.478 20 10 CECDMO COc1ccc(O)c(C[N@H+]2CCC[C@H](C(C)(C)O)C2)c1 ZINC000877797300 650913795 /nfs/dbraw/zinc/91/37/95/650913795.db2.gz SSLMTWBBXRJRHH-ZDUSSCGKSA-N 1 1 279.380 2.384 20 10 CECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@](C)(O)C(C)C)c1 ZINC000756578031 644671464 /nfs/dbraw/zinc/67/14/64/644671464.db2.gz VLHVNGMOKWALDJ-MEDUHNTESA-N 1 1 295.379 2.236 20 10 CECDMO C[C@H]([NH2+]C[C@]1(O)CCSC1)c1cc(F)cc(F)c1O ZINC000756639195 644677123 /nfs/dbraw/zinc/67/71/23/644677123.db2.gz YUJFATKZMUCNSH-ISVAXAHUSA-N 1 1 289.347 2.189 20 10 CECDMO C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000126797023 650946768 /nfs/dbraw/zinc/94/67/68/650946768.db2.gz XRVWDFNPFVPVKY-NXEZZACHSA-N 1 1 254.761 2.215 20 10 CECDMO C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000126797023 650946772 /nfs/dbraw/zinc/94/67/72/650946772.db2.gz XRVWDFNPFVPVKY-NXEZZACHSA-N 1 1 254.761 2.215 20 10 CECDMO Cc1cc(O)c(C[N@@H+]2CC[C@@H](C)[C@@H](CO)C2)cc1C ZINC000857061107 644805918 /nfs/dbraw/zinc/80/59/18/644805918.db2.gz KANXBYMLXYHMRA-IAQYHMDHSA-N 1 1 263.381 2.459 20 10 CECDMO C[C@@H]([NH2+]C1COC(C)(C)OC1)c1ccc(F)cc1O ZINC000757698425 644837816 /nfs/dbraw/zinc/83/78/16/644837816.db2.gz QWBOORZIFRPEPY-SECBINFHSA-N 1 1 269.316 2.333 20 10 CECDMO C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000126801796 650957498 /nfs/dbraw/zinc/95/74/98/650957498.db2.gz SNLQXCVZMLVHCW-NXEZZACHSA-N 1 1 254.761 2.215 20 10 CECDMO C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000126801796 650957499 /nfs/dbraw/zinc/95/74/99/650957499.db2.gz SNLQXCVZMLVHCW-NXEZZACHSA-N 1 1 254.761 2.215 20 10 CECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H]2C[C@H](OC)C2)c1 ZINC000858584598 645212156 /nfs/dbraw/zinc/21/21/56/645212156.db2.gz TVSBDOWNCFBUCT-YUSALJHKSA-N 1 1 279.336 2.007 20 10 CECDMO Oc1ccc(Cl)c(F)c1C[NH2+]CCC1CC(O)C1 ZINC000762504918 645422287 /nfs/dbraw/zinc/42/22/87/645422287.db2.gz ZNYDWXFDFNGFGA-UHFFFAOYSA-N 1 1 273.735 2.435 20 10 CECDMO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cnccn1 ZINC000765608073 645791547 /nfs/dbraw/zinc/79/15/47/645791547.db2.gz HVLVTBITXBIAQS-NSHDSACASA-N 1 1 255.321 2.262 20 10 CECDMO Cc1c[nH+]cn1CC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000860950108 645961705 /nfs/dbraw/zinc/96/17/05/645961705.db2.gz JGGUPWRUTGCTBT-ZDUSSCGKSA-N 1 1 286.379 2.135 20 10 CECDMO CCOc1ccc(C[N@@H+]2CCCC[C@H]2C(=O)OC)c(O)c1 ZINC000768216467 646098525 /nfs/dbraw/zinc/09/85/25/646098525.db2.gz XWMNFMOLKWEZMI-AWEZNQCLSA-N 1 1 293.363 2.318 20 10 CECDMO CCOc1ccc(C[N@H+]2CCCC[C@H]2C(=O)OC)c(O)c1 ZINC000768216467 646098532 /nfs/dbraw/zinc/09/85/32/646098532.db2.gz XWMNFMOLKWEZMI-AWEZNQCLSA-N 1 1 293.363 2.318 20 10 CECDMO CCN(CC)c1ccc(C[N@@H+](CC)CC(=O)N(C)C)cc1 ZINC000768309058 646106420 /nfs/dbraw/zinc/10/64/20/646106420.db2.gz XHMAHYJOFLCTFL-UHFFFAOYSA-N 1 1 291.439 2.443 20 10 CECDMO Oc1cc2c(cc1C[N@H+]1CCC[C@@H]1C1CC1)[C@@H](O)CO2 ZINC000768452752 646125686 /nfs/dbraw/zinc/12/56/86/646125686.db2.gz SJDYXEHMSAXQGJ-HIFRSBDPSA-N 1 1 275.348 2.192 20 10 CECDMO COc1cccc(O)c1C[N@H+]1CCC[C@@H]1C[C@H](C)O ZINC000769451867 646269035 /nfs/dbraw/zinc/26/90/35/646269035.db2.gz NWQDOJBGISCRIS-NWDGAFQWSA-N 1 1 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CCOc1ccc(O)c(C[N@@H+]2CC[C@H](C)[S@@](=O)CC2)c1 ZINC000277456239 521147254 /nfs/dbraw/zinc/14/72/54/521147254.db2.gz KEZDFROAYHEYNS-YUNKPMOVSA-N 1 1 297.420 2.134 20 10 CECDMO CCOc1ccc(O)c(C[N@H+]2CC[C@H](C)[S@@](=O)CC2)c1 ZINC000277456239 521147261 /nfs/dbraw/zinc/14/72/61/521147261.db2.gz KEZDFROAYHEYNS-YUNKPMOVSA-N 1 1 297.420 2.134 20 10 CECDMO CCOc1cccc(C[NH+]2CC(O)(c3ccccc3)C2)c1O ZINC000291707693 521334169 /nfs/dbraw/zinc/33/41/69/521334169.db2.gz ZMBHZRUJRUNXNI-UHFFFAOYSA-N 1 1 299.370 2.494 20 10 CECDMO COc1c(O)c(C[N@H+](C)[C@H]2CCSC2)ccc1[N+](=O)[O-] ZINC000278205045 521869824 /nfs/dbraw/zinc/86/98/24/521869824.db2.gz JNELHQREBHKARU-JTQLQIEISA-N 1 1 298.364 2.246 20 10 CECDMO COc1c(O)c(C[N@@H+](C)[C@H]2CCSC2)ccc1[N+](=O)[O-] ZINC000278205045 521869831 /nfs/dbraw/zinc/86/98/31/521869831.db2.gz JNELHQREBHKARU-JTQLQIEISA-N 1 1 298.364 2.246 20 10 CECDMO C[N@H+](Cc1ccccc1O)C[C@H](O)COc1ccccc1 ZINC000264695636 523385922 /nfs/dbraw/zinc/38/59/22/523385922.db2.gz 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C[N@H+]1CC[C@H](CC(=O)NCc2cccc(Cl)c2O)C1 ZINC000890761410 622933347 /nfs/dbraw/zinc/93/33/47/622933347.db2.gz QUVXPTIFULMTFA-SNVBAGLBSA-N 1 1 282.771 2.004 20 10 CECDMO C[N@H+]1CC[C@@H](CC(=O)NCc2cccc(Cl)c2O)C1 ZINC000890761409 622933366 /nfs/dbraw/zinc/93/33/66/622933366.db2.gz QUVXPTIFULMTFA-JTQLQIEISA-N 1 1 282.771 2.004 20 10 CECDMO CC[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1cccc(Cl)c1[O-] ZINC000806137090 623230043 /nfs/dbraw/zinc/23/00/43/623230043.db2.gz GQMGBIISYZJOOW-MFKMUULPSA-N 1 1 286.803 2.009 20 10 CECDMO COC(=O)[C@@]1(C)CC[N@@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000177221143 625654241 /nfs/dbraw/zinc/65/42/41/625654241.db2.gz FPPHLAKFQQKBCQ-KRWDZBQOSA-N 1 1 289.375 2.266 20 10 CECDMO COc1ccc(C[N@H+]2CCC[C@@H]2C)c(O)c1OC ZINC000892020622 624256334 /nfs/dbraw/zinc/25/63/34/624256334.db2.gz ZSUGGZLYTBOHHN-JTQLQIEISA-N 1 1 251.326 2.394 20 10 CECDMO COc1ccc(C[N@@H+]2CCOCC23CCC3)c(O)c1OC ZINC000892069163 624291868 /nfs/dbraw/zinc/29/18/68/624291868.db2.gz YIXDXXCSSPENJR-UHFFFAOYSA-N 1 1 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Cc1cc(Cl)cc(C[N@H+]2CCC(=O)N(C)CC2)c1O ZINC000827358888 636302668 /nfs/dbraw/zinc/30/26/68/636302668.db2.gz FVVGAOLFBBKHNJ-UHFFFAOYSA-N 1 1 282.771 2.018 20 10 CECDMO CCc1cccc(C[N@H+]2C[C@H](C)[C@](C)(CO)C2)c1O ZINC000827692272 636392542 /nfs/dbraw/zinc/39/25/42/636392542.db2.gz HDBRHZKIJXUARZ-LRDDRELGSA-N 1 1 263.381 2.405 20 10 CECDMO COc1cc(O)c(C[N@H+]2CCO[C@H](C)CC2)cc1OC ZINC000905740099 636426613 /nfs/dbraw/zinc/42/66/13/636426613.db2.gz QXBGQQWEHULOGY-LLVKDONJSA-N 1 1 281.352 2.020 20 10 CECDMO C[C@H](C(=O)N[C@@H](C)c1ccccc1O)[NH+]1CCSCC1 ZINC000827973818 636476003 /nfs/dbraw/zinc/47/60/03/636476003.db2.gz ZBDUWSDYOOCPSZ-NWDGAFQWSA-N 1 1 294.420 2.007 20 10 CECDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)C[C@@]1(OC)CCOC1 ZINC000876522510 650302217 /nfs/dbraw/zinc/30/22/17/650302217.db2.gz SWFPLRFZIKUGIE-KRWDZBQOSA-N 1 1 292.423 2.380 20 10 CECDMO Cc1ccc(C[N@@H+](C)CC(=O)NCc2ccco2)c(O)c1 ZINC000876543164 650314907 /nfs/dbraw/zinc/31/49/07/650314907.db2.gz GWXILALKKJSQOZ-UHFFFAOYSA-N 1 1 288.347 2.042 20 10 CECDMO C[N@H+]1CCCC[C@H]1CCC(=O)Nc1ccc(N)cc1 ZINC000832250711 637527005 /nfs/dbraw/zinc/52/70/05/637527005.db2.gz ZFYIYFZLXUTBQP-AWEZNQCLSA-N 1 1 261.369 2.472 20 10 CECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@H](C)CCCO)c1 ZINC000834871331 637976028 /nfs/dbraw/zinc/97/60/28/637976028.db2.gz NDNKHAWBJHLDMZ-NWDGAFQWSA-N 1 1 295.379 2.238 20 10 CECDMO CC[C@@H]([NH2+][C@@H]1CC(=O)N(CC)C1)c1ccc(F)cc1O ZINC000834888607 637979136 /nfs/dbraw/zinc/97/91/36/637979136.db2.gz BHFMROHXCXVTSH-DGCLKSJQSA-N 1 1 280.343 2.193 20 10 CECDMO CC[N@H+](C/C=C\c1ccc(N(C)C)cc1)CCCO ZINC000835025782 638028663 /nfs/dbraw/zinc/02/86/63/638028663.db2.gz JVOAPDOAOQUGNH-ALCCZGGFSA-N 1 1 262.397 2.470 20 10 CECDMO CCNC(=O)C[N@H+](CC)C/C=C/c1ccc(N(C)C)cc1 ZINC000835024673 638029309 /nfs/dbraw/zinc/02/93/09/638029309.db2.gz ATPNHFADVLJNER-BQYQJAHWSA-N 1 1 289.423 2.224 20 10 CECDMO CCNC(=O)C[N@@H+](CC)C/C=C/c1ccc(N(C)C)cc1 ZINC000835024673 638029312 /nfs/dbraw/zinc/02/93/12/638029312.db2.gz ATPNHFADVLJNER-BQYQJAHWSA-N 1 1 289.423 2.224 20 10 CECDMO CN(C)c1ccc(/C=C/C[N@H+]2CC[C@H](CO)C2)cc1 ZINC000835028853 638030448 /nfs/dbraw/zinc/03/04/48/638030448.db2.gz UFGYLHMIHKXBRE-BWPKMQGJSA-N 1 1 260.381 2.080 20 10 CECDMO CN(C)c1ccc(/C=C\C[N@H+]2CC[C@](O)(C(F)F)C2)cc1 ZINC000835053108 638040509 /nfs/dbraw/zinc/04/05/09/638040509.db2.gz BCQIUEOFUJYESF-MJSXRHKHSA-N 1 1 296.361 2.468 20 10 CECDMO Cc1nonc1C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835054682 638041104 /nfs/dbraw/zinc/04/11/04/638041104.db2.gz XDMVXBXXGHVZPU-SNAWJCMRSA-N 1 1 272.352 2.247 20 10 CECDMO C[NH+](C)CCCC[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000045663495 639448796 /nfs/dbraw/zinc/44/87/96/639448796.db2.gz PEIPSSGLSBGVHF-UHFFFAOYSA-N 1 1 256.777 2.477 20 10 CECDMO C[N@H+]1CCC[C@H]2CN(C(=O)Nc3ccc(N)cc3)CC[C@@H]21 ZINC000166707701 639480038 /nfs/dbraw/zinc/48/00/38/639480038.db2.gz SHQWCRYRQKEMHE-WFASDCNBSA-N 1 1 288.395 2.217 20 10 CECDMO CCN1CC[NH+](Cc2ccc(N(C)C)cc2C)CC1 ZINC000840908523 639581295 /nfs/dbraw/zinc/58/12/95/639581295.db2.gz SFPPKPVSXTYLQR-UHFFFAOYSA-N 1 1 261.413 2.199 20 10 CECDMO CC[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2C)C[C@@H]1O ZINC000840920012 639587343 /nfs/dbraw/zinc/58/73/43/639587343.db2.gz CPMKNXPSNTXMCH-CJNGLKHVSA-N 1 1 262.397 2.264 20 10 CECDMO Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000840938712 639592500 /nfs/dbraw/zinc/59/25/00/639592500.db2.gz QWZGHTBEIRHBDX-MRXNPFEDSA-N 1 1 285.395 2.100 20 10 CECDMO Cc1cc(N(C)C)ccc1C[N@H+](CCO)[C@H]1CCO[C@@H]1C ZINC000840949830 639597914 /nfs/dbraw/zinc/59/79/14/639597914.db2.gz CNMRCIAEKMZVPY-PBHICJAKSA-N 1 1 292.423 2.033 20 10 CECDMO COC(=O)[C@]1(C)CCC[N@H+](Cc2cccc(F)c2O)C1 ZINC000840974654 639606004 /nfs/dbraw/zinc/60/60/04/639606004.db2.gz DMZZFZCQPCVFPF-OAHLLOKOSA-N 1 1 281.327 2.306 20 10 CECDMO COC(=O)[C@]1(C)CCC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000840974654 639606014 /nfs/dbraw/zinc/60/60/14/639606014.db2.gz DMZZFZCQPCVFPF-OAHLLOKOSA-N 1 1 281.327 2.306 20 10 CECDMO CCN(CC)c1ccc(CN[C@@H](C[NH3+])C2CC2)cc1 ZINC000841028092 639621077 /nfs/dbraw/zinc/62/10/77/639621077.db2.gz LNPFCCIIWAVSSC-INIZCTEOSA-N 1 1 261.413 2.360 20 10 CECDMO C[C@@H]1CCNC[C@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000841059003 639636971 /nfs/dbraw/zinc/63/69/71/639636971.db2.gz IYMWOIFCGALOKD-RHSMWYFYSA-N 1 1 273.424 2.374 20 10 CECDMO C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000841064960 639641316 /nfs/dbraw/zinc/64/13/16/639641316.db2.gz XHGZCEKPNHJRGR-SKDRFNHKSA-N 1 1 254.761 2.133 20 10 CECDMO COc1cccc(O)c1CNC[C@@H]1[NH2+]CCc2ccccc21 ZINC000841068637 639642705 /nfs/dbraw/zinc/64/27/05/639642705.db2.gz FREPNCBLFZSBHM-INIZCTEOSA-N 1 1 298.386 2.377 20 10 CECDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)Nc1ccc(N)cc1 ZINC000841297618 639731760 /nfs/dbraw/zinc/73/17/60/639731760.db2.gz HQZZOODQAFKEBN-CQSZACIVSA-N 1 1 276.384 2.217 20 10 CECDMO C[C@H]([NH2+]C[C@@H](O)C(F)(F)F)c1ccc(F)cc1O ZINC000230659206 639779750 /nfs/dbraw/zinc/77/97/50/639779750.db2.gz XWBVSPFEPCMBIF-QUBYGPBYSA-N 1 1 267.222 2.105 20 10 CECDMO C[C@@H]([NH2+]CC1(CO)CC1)c1ccc(Cl)cc1O ZINC000841748891 639857445 /nfs/dbraw/zinc/85/74/45/639857445.db2.gz BSHCLXXHLKIQPW-SECBINFHSA-N 1 1 255.745 2.469 20 10 CECDMO C[C@H]([NH2+]CCOCC[NH+](C)C)c1ccc(Cl)cc1[O-] ZINC000841751795 639858253 /nfs/dbraw/zinc/85/82/53/639858253.db2.gz KBENSEQVASQMPX-NSHDSACASA-N 1 1 286.803 2.274 20 10 CECDMO C[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1ccc(Cl)cc1O ZINC000841765302 639861732 /nfs/dbraw/zinc/86/17/32/639861732.db2.gz XQTDXMDAYVKVEN-MWLCHTKSSA-N 1 1 282.771 2.317 20 10 CECDMO CN(Cc1cc(Br)ccc1O)C1CC[NH2+]CC1 ZINC000843045078 640249456 /nfs/dbraw/zinc/24/94/56/640249456.db2.gz HRPHNOKJFQBGGO-UHFFFAOYSA-N 1 1 299.212 2.339 20 10 CECDMO C[C@@H]1CN(Cc2cccc(Cl)c2O)C[C@@H](C)[NH2+]1 ZINC000843049382 640253970 /nfs/dbraw/zinc/25/39/70/640253970.db2.gz MOBILTUDXAGZNC-NXEZZACHSA-N 1 1 254.761 2.228 20 10 CECDMO C[NH2+]C[C@H]1CCN(Cc2c(O)ccc(Cl)c2F)C1 ZINC000843052184 640254957 /nfs/dbraw/zinc/25/49/57/640254957.db2.gz JXWBMIAVSQZJNQ-SECBINFHSA-N 1 1 272.751 2.226 20 10 CECDMO C[C@@H]1CN(C/C=C\c2ccc(N(C)C)cc2)CC[C@@H]1[NH3+] ZINC000843052794 640256781 /nfs/dbraw/zinc/25/67/81/640256781.db2.gz WJIHVJJPTNKREU-DSLFPGPSSA-N 1 1 273.424 2.435 20 10 CECDMO Oc1c(Cl)cccc1CN(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000843055049 640257750 /nfs/dbraw/zinc/25/77/50/640257750.db2.gz DYOOEIIGPSNHCH-GFCCVEGCSA-N 1 1 266.772 2.372 20 10 CECDMO [O-]c1ccccc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843125662 640292101 /nfs/dbraw/zinc/29/21/01/640292101.db2.gz DKCKMAGILXTXJS-ZIAGYGMSSA-N 1 1 260.381 2.214 20 10 CECDMO [O-]c1ccccc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843125662 640292105 /nfs/dbraw/zinc/29/21/05/640292105.db2.gz DKCKMAGILXTXJS-ZIAGYGMSSA-N 1 1 260.381 2.214 20 10 CECDMO CCC[N@@H+](Cc1cc2c(cc1O)OCO2)[C@H]1CCN(C)C1 ZINC000843421364 640422953 /nfs/dbraw/zinc/42/29/53/640422953.db2.gz CIOKYGKXMNBZMJ-ZDUSSCGKSA-N 1 1 292.379 2.037 20 10 CECDMO COc1ccc(N(C)CC[N@@H+](C)C[C@H](O)C(C)(C)C)cc1 ZINC000844402302 640709176 /nfs/dbraw/zinc/70/91/76/640709176.db2.gz SKQURTCMPNINEP-INIZCTEOSA-N 1 1 294.439 2.470 20 10 CECDMO CC[N@@H+](CCNC(=O)NCc1c(O)cccc1F)C(C)C ZINC000916165787 640739244 /nfs/dbraw/zinc/73/92/44/640739244.db2.gz WZCNSIHEVFWDFU-UHFFFAOYSA-N 1 1 297.374 2.061 20 10 CECDMO C[C@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)C2(CCC2)CO1 ZINC000846067855 641171941 /nfs/dbraw/zinc/17/19/41/641171941.db2.gz ZCNHMWKIFDBCLT-NSHDSACASA-N 1 1 291.347 2.264 20 10 CECDMO C[C@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)C2(CCC2)CO1 ZINC000846067855 641171944 /nfs/dbraw/zinc/17/19/44/641171944.db2.gz ZCNHMWKIFDBCLT-NSHDSACASA-N 1 1 291.347 2.264 20 10 CECDMO COc1cc(Cl)cc(C[N@@H+](C)[C@H](C)CCO)c1O ZINC000846111492 641185499 /nfs/dbraw/zinc/18/54/99/641185499.db2.gz QBBAGLGFPXXFSH-SECBINFHSA-N 1 1 273.760 2.257 20 10 CECDMO CC[C@H]([NH2+]CCN1CCCC1=O)c1ccc(F)cc1O ZINC000846206589 641221875 /nfs/dbraw/zinc/22/18/75/641221875.db2.gz QILIWYFYXOEWHF-ZDUSSCGKSA-N 1 1 280.343 2.194 20 10 CECDMO CC(=O)c1cc(F)cc(C[NH+]2CCC(CC[NH3+])CC2)c1[O-] ZINC000846224939 641233704 /nfs/dbraw/zinc/23/37/04/641233704.db2.gz DPVKHPIPGYJTDX-UHFFFAOYSA-N 1 1 294.370 2.295 20 10 CECDMO CN(C)c1ccc(C[N@@H+](C)C[C@H](O)C(F)(F)F)cc1 ZINC000183923113 641818281 /nfs/dbraw/zinc/81/82/81/641818281.db2.gz UKBQFGYXNWSQCC-LBPRGKRZSA-N 1 1 276.302 2.108 20 10 CECDMO CCc1cccc(C[N@H+]2CCC[C@H]2C(=O)OC)c1O ZINC000848880353 642168134 /nfs/dbraw/zinc/16/81/34/642168134.db2.gz GBNWZTYQSDPKOD-ZDUSSCGKSA-N 1 1 263.337 2.092 20 10 CECDMO CCc1cccc(C[N@H+]2CC[C@H](C)[S@@](=O)CC2)c1O ZINC000848905682 642182589 /nfs/dbraw/zinc/18/25/89/642182589.db2.gz LFHNILJNSCQYHG-BUXKBTBVSA-N 1 1 281.421 2.298 20 10 CECDMO CCc1cccc(C[N@H+]2CC[C@@H](N3CCCC3=O)C2)c1O ZINC000848906324 642183296 /nfs/dbraw/zinc/18/32/96/642183296.db2.gz SYBIHPONGOAFPW-OAHLLOKOSA-N 1 1 288.391 2.151 20 10 CECDMO Cc1ccc(C[N@H+]2CCO[C@]3(CCCOC3)C2)c(O)c1 ZINC000877514347 650759754 /nfs/dbraw/zinc/75/97/54/650759754.db2.gz KHIFFRBFVIOOQD-MRXNPFEDSA-N 1 1 277.364 2.082 20 10 CECDMO CO[C@@]1(C)C[C@H]1[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000850410501 642703795 /nfs/dbraw/zinc/70/37/95/642703795.db2.gz OIMDJPDCTIZYBF-PWSUYJOCSA-N 1 1 259.708 2.452 20 10 CECDMO CCc1nnc(C[NH2+]Cc2c(C)cccc2O)s1 ZINC000877543042 650777737 /nfs/dbraw/zinc/77/77/37/650777737.db2.gz VQPBIQNXJYLFHE-UHFFFAOYSA-N 1 1 263.366 2.404 20 10 CECDMO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2C[C@@H](C)n3ncnc32)c1 ZINC000850499503 642733296 /nfs/dbraw/zinc/73/32/96/642733296.db2.gz QUJLVULKRBDLPA-GBIKHYSHSA-N 1 1 288.351 2.349 20 10 CECDMO Cc1ccc(C[N@@H+]2CCC[C@@H](OC(=O)N(C)C)C2)c(O)c1 ZINC000877560463 650789383 /nfs/dbraw/zinc/78/93/83/650789383.db2.gz RGVBLJACNSKOEV-CQSZACIVSA-N 1 1 292.379 2.363 20 10 CECDMO Cc1ccc(C[N@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)c(O)c1 ZINC000877572349 650795062 /nfs/dbraw/zinc/79/50/62/650795062.db2.gz POSWPTJTBBYQKD-DGCLKSJQSA-N 1 1 289.297 2.446 20 10 CECDMO CCC[N@H+](Cc1ccccc1O)C[C@H](O)C[NH+](C)C(C)C ZINC000851792041 643164675 /nfs/dbraw/zinc/16/46/75/643164675.db2.gz JXFHFYFUNHOUIT-MRXNPFEDSA-N 1 1 294.439 2.305 20 10 CECDMO CCC[N@@H+](Cc1ccccc1O)C[C@H](O)CN(C)C(C)C ZINC000851792041 643164684 /nfs/dbraw/zinc/16/46/84/643164684.db2.gz JXFHFYFUNHOUIT-MRXNPFEDSA-N 1 1 294.439 2.305 20 10 CECDMO CCC[N@H+](Cc1ccccc1O)C[C@H](O)CN(C)C(C)C ZINC000851792041 643164689 /nfs/dbraw/zinc/16/46/89/643164689.db2.gz JXFHFYFUNHOUIT-MRXNPFEDSA-N 1 1 294.439 2.305 20 10 CECDMO C[C@@H]1COC[C@@H]1[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000922641129 643179808 /nfs/dbraw/zinc/17/98/08/643179808.db2.gz GQYLIWIJKHUJRH-XCBNKYQSSA-N 1 1 259.708 2.309 20 10 CECDMO CCO[C@@H](C[NH2+]Cc1ccc(OC)c(C)c1)CN(C)C ZINC000922756592 643246542 /nfs/dbraw/zinc/24/65/42/643246542.db2.gz MHWWLFXOYQZCQU-HNNXBMFYSA-N 1 1 280.412 2.060 20 10 CECDMO COc1cccc(C[N@@H+]2CC[S@](=O)C(C)(C)CC2)c1O ZINC000322092370 643433882 /nfs/dbraw/zinc/43/38/82/643433882.db2.gz HSGZWOBYHLZVQO-FQEVSTJZSA-N 1 1 297.420 2.134 20 10 CECDMO COc1cccc(C[N@H+]2CC[S@](=O)C(C)(C)CC2)c1O ZINC000322092370 643433888 /nfs/dbraw/zinc/43/38/88/643433888.db2.gz HSGZWOBYHLZVQO-FQEVSTJZSA-N 1 1 297.420 2.134 20 10 CECDMO CC[C@]1(O)CCC[N@@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000877691728 650852657 /nfs/dbraw/zinc/85/26/57/650852657.db2.gz UPRQJTKVCOJRJI-INIZCTEOSA-N 1 1 295.379 2.146 20 10 CECDMO CO[C@H](C[N@H+]1Cc2cccc(O)c2C1)C1CCOCC1 ZINC000877703095 650859396 /nfs/dbraw/zinc/85/93/96/650859396.db2.gz RFYHVHTYYNKUJA-MRXNPFEDSA-N 1 1 277.364 2.149 20 10 CECDMO COC(=O)C(C)(C)CC[N@H+]1Cc2cccc(O)c2C1 ZINC000877702588 650859708 /nfs/dbraw/zinc/85/97/08/650859708.db2.gz COSAQVCNJCVJAD-UHFFFAOYSA-N 1 1 263.337 2.297 20 10 CECDMO Cc1cc(CO)cc(N(C)Cc2ccccc2O)[nH+]1 ZINC000853462498 643778502 /nfs/dbraw/zinc/77/85/02/643778502.db2.gz WKMDSBQUXJLDHA-UHFFFAOYSA-N 1 1 258.321 2.224 20 10 CECDMO Oc1ccc2ccncc2c1C[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000853586982 643823733 /nfs/dbraw/zinc/82/37/33/643823733.db2.gz CJVYXJKYQWTKRY-KGLIPLIRSA-N 1 1 284.359 2.409 20 10 CECDMO C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(F)c(F)c3[O-])CC[C@H]21 ZINC000877737091 650878124 /nfs/dbraw/zinc/87/81/24/650878124.db2.gz CRHWMUURCVESLT-GXFFZTMASA-N 1 1 282.334 2.196 20 10 CECDMO C[N@H+]1CC[C@H]2C[NH+](Cc3ccc(F)c(F)c3[O-])CC[C@H]21 ZINC000877737091 650878128 /nfs/dbraw/zinc/87/81/28/650878128.db2.gz CRHWMUURCVESLT-GXFFZTMASA-N 1 1 282.334 2.196 20 10 CECDMO C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(F)c(F)c3[O-])CC[C@H]21 ZINC000877737091 650878134 /nfs/dbraw/zinc/87/81/34/650878134.db2.gz CRHWMUURCVESLT-GXFFZTMASA-N 1 1 282.334 2.196 20 10 CECDMO C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(F)c(F)c3[O-])CC[C@H]21 ZINC000877737091 650878136 /nfs/dbraw/zinc/87/81/36/650878136.db2.gz CRHWMUURCVESLT-GXFFZTMASA-N 1 1 282.334 2.196 20 10 CECDMO Cc1cccc(C[NH2+]Cc2nnc(C(C)(C)C)[nH]2)c1O ZINC000839170738 644179493 /nfs/dbraw/zinc/17/94/93/644179493.db2.gz PLQLXJGIZZHZHV-UHFFFAOYSA-N 1 1 274.368 2.406 20 10 CECDMO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccn(C)n1 ZINC000839190540 644185085 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Cc1cccc(C[N@H+](C)[C@H](C)C(=O)NC(C)(C)C)c1O ZINC000777219780 647121412 /nfs/dbraw/zinc/12/14/12/647121412.db2.gz NCAYJAQHLRNCOJ-GFCCVEGCSA-N 1 1 278.396 2.436 20 10 CECDMO C1=CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000779159524 647292596 /nfs/dbraw/zinc/29/25/96/647292596.db2.gz LPWONHRVTRYTJK-UHFFFAOYSA-N 1 1 258.365 2.285 20 10 CECDMO C[C@H]1C[N@@H+](Cc2c(O)cccc2Cl)CC[C@H]1O ZINC000779199546 647295398 /nfs/dbraw/zinc/29/53/98/647295398.db2.gz DZALXAZLAWQBBJ-JOYOIKCWSA-N 1 1 255.745 2.248 20 10 CECDMO C[C@H]1C[N@@H+](Cc2ccc(N(C)C)c(F)c2)CC[C@@H]1O ZINC000779199676 647297382 /nfs/dbraw/zinc/29/73/82/647297382.db2.gz GNAVBVNNGDFXOH-NHYWBVRUSA-N 1 1 266.360 2.094 20 10 CECDMO C[C@H]1CC[N@H+](Cc2c(O)cccc2Cl)[C@@H](C(N)=O)C1 ZINC000779200498 647297444 /nfs/dbraw/zinc/29/74/44/647297444.db2.gz HDEMKOMTPINKBZ-JOYOIKCWSA-N 1 1 282.771 2.131 20 10 CECDMO C[C@H]1CC[N@@H+](Cc2c(O)cccc2Cl)[C@@H](C(N)=O)C1 ZINC000779200498 647297448 /nfs/dbraw/zinc/29/74/48/647297448.db2.gz 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C[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)C(C)(C)O ZINC000790954915 648463929 /nfs/dbraw/zinc/46/39/29/648463929.db2.gz CGKGDOWTGWSLQD-ZETCQYMHSA-N 1 1 261.724 2.434 20 10 CECDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C1=CC(=O)CS1 ZINC000791058214 648478132 /nfs/dbraw/zinc/47/81/32/648478132.db2.gz BRXJZHZVYPFAHJ-GFCCVEGCSA-N 1 1 282.409 2.304 20 10 CECDMO C[C@@H]1C[C@H](C)[N@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000793220187 648725632 /nfs/dbraw/zinc/72/56/32/648725632.db2.gz LILBEVXPLPFFDN-GASCZTMLSA-N 1 1 273.424 2.421 20 10 CECDMO C[C@@H]1C[C@H](C)[N@@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000793220187 648725633 /nfs/dbraw/zinc/72/56/33/648725633.db2.gz LILBEVXPLPFFDN-GASCZTMLSA-N 1 1 273.424 2.421 20 10 CECDMO CN1CC[C@]2(CC[N@H+](Cc3c(O)ccc4ccncc43)C2)C1 ZINC000793748887 648793368 /nfs/dbraw/zinc/79/33/68/648793368.db2.gz VGJAOYRQLLBXCI-SFHVURJKSA-N 1 1 297.402 2.468 20 10 CECDMO CN1CC[C@]2(CC[N@@H+](Cc3c(O)ccc4ccncc43)C2)C1 ZINC000793748887 648793369 /nfs/dbraw/zinc/79/33/69/648793369.db2.gz 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COC(=O)[C@@H]1C[C@H](C)C[N@@H+](Cc2cc(C)ccc2O)C1 ZINC001140623589 803246587 /nfs/dbraw/zinc/24/65/87/803246587.db2.gz XFLPYSCARHLOCR-GXTWGEPZSA-N 1 1 277.364 2.332 20 10 CECDMO Cc1c(O)ccc(C[N@H+]2CC[C@]3(C2)CCCOC3)c1O ZINC001140748217 803514472 /nfs/dbraw/zinc/51/44/72/803514472.db2.gz UWLYNRHWKRIURU-INIZCTEOSA-N 1 1 277.364 2.409 20 10 CECDMO COC(=O)[C@H]1CCC[N@@H+](Cc2ccc(O)c(C)c2O)[C@@H]1C ZINC001140749232 803514482 /nfs/dbraw/zinc/51/44/82/803514482.db2.gz SFZVWPRSADQXAI-YPMHNXCESA-N 1 1 293.363 2.180 20 10 CECDMO Cc1nccnc1C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC001140940269 803618454 /nfs/dbraw/zinc/61/84/54/803618454.db2.gz WBJRCXBDFBBGTF-UHFFFAOYSA-N 1 1 270.380 2.483 20 10 CECDMO Oc1ccc(F)c(F)c1C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC001233335785 807396177 /nfs/dbraw/zinc/39/61/77/807396177.db2.gz LMXYFKMCIPNUQO-RNCFNFMXSA-N 1 1 269.291 2.281 20 10 CECDMO Oc1ccc(F)c(F)c1C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC001233335785 807396186 /nfs/dbraw/zinc/39/61/86/807396186.db2.gz 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ZINC001137839276 809819506 /nfs/dbraw/zinc/81/95/06/809819506.db2.gz ZMBYOQAUWPWUJH-CYBMUJFWSA-N 1 1 253.317 2.267 20 10 CECDMO CC(C)(O)[C@H]1CCC[N@H+]1Cc1c(O)cccc1F ZINC001137839276 809819512 /nfs/dbraw/zinc/81/95/12/809819512.db2.gz ZMBYOQAUWPWUJH-CYBMUJFWSA-N 1 1 253.317 2.267 20 10 CECDMO Oc1c(F)cc(F)cc1C[NH2+]C[C@@H]1CCC=CO1 ZINC000708553368 809945838 /nfs/dbraw/zinc/94/58/38/809945838.db2.gz BMPKMMGNMYVYBH-NSHDSACASA-N 1 1 255.264 2.453 20 10 CECDMO C[C@@H]1CN(Cc2ccc(N3CCCC3)cc2)CC[C@H]1[NH3+] ZINC001118241673 810131735 /nfs/dbraw/zinc/13/17/35/810131735.db2.gz KBEZQXQIVTVVFD-RHSMWYFYSA-N 1 1 273.424 2.456 20 10 CECDMO CCOc1cccc(C[NH2+][C@H](C)c2nnc(C)[nH]2)c1O ZINC000392439875 813303827 /nfs/dbraw/zinc/30/38/27/813303827.db2.gz AKKAWGVMYQQWJL-SECBINFHSA-N 1 1 276.340 2.068 20 10 CECDMO COc1ccc(C[N@H+]2CCc3cccc(O)c3C2)cn1 ZINC001137037533 813844588 /nfs/dbraw/zinc/84/45/88/813844588.db2.gz FZZBZLOWHLQFLT-UHFFFAOYSA-N 1 1 270.332 2.354 20 10 CECDMO Oc1cc(O)c(C[N@H+]2CC[C@@H](c3ccccn3)C2)c(O)c1 ZINC001144508873 814096181 /nfs/dbraw/zinc/09/61/81/814096181.db2.gz BLWAGCSJPZBJCW-LLVKDONJSA-N 1 1 286.331 2.188 20 10 CECDMO Cc1cc(C[NH+]2CC(N3CC[C@H](F)C3)C2)ccc1N(C)C ZINC001139673584 814637026 /nfs/dbraw/zinc/63/70/26/814637026.db2.gz UUGILAKCODGADT-HNNXBMFYSA-N 1 1 291.414 2.289 20 10 CECDMO COc1cccc(CN2CC[N@@H+](C)C(C)(C)CC2)c1O ZINC000712665060 814758761 /nfs/dbraw/zinc/75/87/61/814758761.db2.gz WDBUKDITHJZHEM-UHFFFAOYSA-N 1 1 278.396 2.317 20 10 CECDMO COc1cccc(C[N@@H+]2CCN(C)C(C)(C)CC2)c1O ZINC000712665060 814758775 /nfs/dbraw/zinc/75/87/75/814758775.db2.gz WDBUKDITHJZHEM-UHFFFAOYSA-N 1 1 278.396 2.317 20 10 CECDMO COc1cccc(C[N@H+]2CCN(C)C(C)(C)CC2)c1O ZINC000712665060 814758783 /nfs/dbraw/zinc/75/87/83/814758783.db2.gz WDBUKDITHJZHEM-UHFFFAOYSA-N 1 1 278.396 2.317 20 10 CECDMO COC(=O)CC(C)(C)[N@@H+](C)Cc1cc(OC)ccc1O ZINC001116483909 814856982 /nfs/dbraw/zinc/85/69/82/814856982.db2.gz WXODCEIRIFFFEC-UHFFFAOYSA-N 1 1 281.352 2.174 20 10 CECDMO C[C@@H]1CC[N@H+](Cc2c(O)cccc2F)C[C@]1(C)O ZINC001137831531 815691177 /nfs/dbraw/zinc/69/11/77/815691177.db2.gz CXUYIWDMAXBUFF-YGRLFVJLSA-N 1 1 253.317 2.124 20 10 CECDMO C[C@@H]1CC[N@@H+](Cc2c(O)cccc2F)C[C@]1(C)O ZINC001137831531 815691184 /nfs/dbraw/zinc/69/11/84/815691184.db2.gz CXUYIWDMAXBUFF-YGRLFVJLSA-N 1 1 253.317 2.124 20 10 CECDMO OC[C@@H]1CCC[N@H+](Cc2c(O)cccc2F)CC1 ZINC001137833170 815692267 /nfs/dbraw/zinc/69/22/67/815692267.db2.gz VXGUVYCRGIIVQQ-LLVKDONJSA-N 1 1 253.317 2.126 20 10 CECDMO OC[C@@H]1CCC[N@@H+](Cc2c(O)cccc2F)CC1 ZINC001137833170 815692271 /nfs/dbraw/zinc/69/22/71/815692271.db2.gz VXGUVYCRGIIVQQ-LLVKDONJSA-N 1 1 253.317 2.126 20 10 CECDMO Oc1cccc(F)c1C[N@@H+]1CCC[C@]12CCOC2 ZINC001137839236 815695763 /nfs/dbraw/zinc/69/57/63/815695763.db2.gz XUHWOHCSFFBCGI-CQSZACIVSA-N 1 1 251.301 2.286 20 10 CECDMO Oc1cccc(F)c1C[N@H+]1CCC[C@]12CCOC2 ZINC001137839236 815695767 /nfs/dbraw/zinc/69/57/67/815695767.db2.gz XUHWOHCSFFBCGI-CQSZACIVSA-N 1 1 251.301 2.286 20 10 CECDMO CCC(=O)NC1CC[NH+](Cc2cccc(F)c2O)CC1 ZINC001138127685 815734795 /nfs/dbraw/zinc/73/47/95/815734795.db2.gz MCGAGFCVPCFGLS-UHFFFAOYSA-N 1 1 280.343 2.022 20 10 CECDMO Cc1c(C[N@H+]2CC[C@@](C)(O)C2)c2ccccc2n1C ZINC001138252744 815754921 /nfs/dbraw/zinc/75/49/21/815754921.db2.gz SNJLYXBLAZWECY-MRXNPFEDSA-N 1 1 258.365 2.443 20 10 CECDMO Cc1c(C[N@H+]2CCC[C@@H](C(N)=O)C2)c2ccccc2n1C ZINC001138252793 815755050 /nfs/dbraw/zinc/75/50/50/815755050.db2.gz UZXWOLNFWHFSTB-CYBMUJFWSA-N 1 1 285.391 2.184 20 10 CECDMO Cc1c(C[N@@H+]2C[C@H](O)C[C@H]2C)c2ccccc2n1C ZINC001138252601 815755085 /nfs/dbraw/zinc/75/50/85/815755085.db2.gz MZFGCOOPIUWNPI-DGCLKSJQSA-N 1 1 258.365 2.442 20 10 CECDMO Cc1c(C[N@@H+]2CCO[C@H]3C[C@H]32)c2ccccc2n1C ZINC001138260110 815755948 /nfs/dbraw/zinc/75/59/48/815755948.db2.gz VCECJVUXOKMWLA-CVEARBPZSA-N 1 1 256.349 2.460 20 10 CECDMO Cc1c(C[N@H+]2CCO[C@H]3C[C@H]32)c2ccccc2n1C ZINC001138260110 815755953 /nfs/dbraw/zinc/75/59/53/815755953.db2.gz 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CCC[C@H]1CN(Cc2ccccc2O)CC[N@H+]1CCOC ZINC000179585253 368342829 /nfs/dbraw/zinc/34/28/29/368342829.db2.gz YPSBLIMUXPSBOX-INIZCTEOSA-N 1 1 292.423 2.325 20 10 CECDMO COC(=O)CC[N@H+](Cc1cc(OC)ccc1O)CC(C)C ZINC000179764302 368350760 /nfs/dbraw/zinc/35/07/60/368350760.db2.gz PWQQAPBYFQHTFY-UHFFFAOYSA-N 1 1 295.379 2.422 20 10 CECDMO CCCCC[N@@H+](CC(N)=O)Cc1ccc(N(C)C)cc1 ZINC000180810999 368398268 /nfs/dbraw/zinc/39/82/68/368398268.db2.gz GZCWDLHCWKVLPG-UHFFFAOYSA-N 1 1 277.412 2.230 20 10 CECDMO C[C@@H]([NH2+][C@H](C)c1ccc(F)cc1O)C(=O)NC(C)(C)C ZINC000181235119 368434945 /nfs/dbraw/zinc/43/49/45/368434945.db2.gz MJBNQZWGYJUUEX-NXEZZACHSA-N 1 1 282.359 2.485 20 10 CECDMO COC(=O)[C@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2)C[C@H]1C ZINC000188115594 369299824 /nfs/dbraw/zinc/29/98/24/369299824.db2.gz IIFVBKSXUCDAOR-CJNGLKHVSA-N 1 1 290.407 2.384 20 10 CECDMO CC[C@@]1(C)C[N@@H+](Cc2cccc(OC)c2O)CCO1 ZINC000191153454 369684767 /nfs/dbraw/zinc/68/47/67/369684767.db2.gz UCXYDISFOVLTBK-HNNXBMFYSA-N 1 1 265.353 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COC[C@H]([NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O)C1CC1 ZINC000273460329 373756986 /nfs/dbraw/zinc/75/69/86/373756986.db2.gz HXVVEYKFUNRLCA-HZMBPMFUSA-N 1 1 293.363 2.254 20 10 CECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC(C)C)c1 ZINC000273428414 373757007 /nfs/dbraw/zinc/75/70/07/373757007.db2.gz VACXWIBZTBJPHY-SNVBAGLBSA-N 1 1 251.326 2.485 20 10 CECDMO COc1ccc(O)c(C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000374998458 374638372 /nfs/dbraw/zinc/63/83/72/374638372.db2.gz NLLQCFMNIJXDMZ-CHWSQXEVSA-N 1 1 277.364 2.259 20 10 CECDMO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1)c1ccc(F)cc1O ZINC000375301384 374650102 /nfs/dbraw/zinc/65/01/02/374650102.db2.gz GHWLIRFZWLLDED-LQBHMHGISA-N 1 1 292.354 2.239 20 10 CECDMO CC[C@H]([NH2+]CCCS(C)(=O)=O)c1ccc(F)cc1O ZINC000285935706 375845494 /nfs/dbraw/zinc/84/54/94/375845494.db2.gz FMQZIJTWAYLEAS-LBPRGKRZSA-N 1 1 289.372 2.007 20 10 CECDMO CC[C@@H]([NH2+]CCN(C)CCOC)c1ccc(F)cc1O ZINC000286209832 375873035 /nfs/dbraw/zinc/87/30/35/375873035.db2.gz 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Cn1cc([C@@H]2CSCC[N@H+]2Cc2ccc(N)cc2)cn1 ZINC001120371340 807187139 /nfs/dbraw/zinc/18/71/39/807187139.db2.gz WAAJHSQQJDPWQP-HNNXBMFYSA-N 1 1 288.420 2.292 20 10 CECDMO COc1ccc(C[N@H+](C)[C@H]2CCOC2)c(O)c1Cl ZINC001236805546 808168786 /nfs/dbraw/zinc/16/87/86/808168786.db2.gz AMDJVUJEZWIRDM-JTQLQIEISA-N 1 1 271.744 2.275 20 10 CECDMO COc1ccc(C[N@@H+](C)[C@H]2CCOC2)c(O)c1Cl ZINC001236805546 808168790 /nfs/dbraw/zinc/16/87/90/808168790.db2.gz AMDJVUJEZWIRDM-JTQLQIEISA-N 1 1 271.744 2.275 20 10 CECDMO CN(C)c1ccc(C[N@@H+]2CCN[C@H](C(F)(F)F)C2)cc1 ZINC001236978993 808185428 /nfs/dbraw/zinc/18/54/28/808185428.db2.gz CBOWUQSNKPFFGL-ZDUSSCGKSA-N 1 1 287.329 2.089 20 10 CECDMO CN(C)c1ccc(C[N@H+]2CCN[C@H](C(F)(F)F)C2)cc1 ZINC001236978993 808185431 /nfs/dbraw/zinc/18/54/31/808185431.db2.gz CBOWUQSNKPFFGL-ZDUSSCGKSA-N 1 1 287.329 2.089 20 10 CECDMO Cc1ccc(C)c(C[N@@H+]2CC[C@]3(CCN(C)C3=O)C2)c1O ZINC001273049673 809183391 /nfs/dbraw/zinc/18/33/91/809183391.db2.gz ZMDKFQKPZMWZBB-QGZVFWFLSA-N 1 1 288.391 2.063 20 10 CECDMO Oc1cc(Br)ccc1C[N@@H+]1CCCOCC1 ZINC000700863478 809364825 /nfs/dbraw/zinc/36/48/25/809364825.db2.gz SDNNREHKZUIUDI-UHFFFAOYSA-N 1 1 286.169 2.377 20 10 CECDMO Oc1cc(Br)ccc1C[N@H+]1CCCOCC1 ZINC000700863478 809364832 /nfs/dbraw/zinc/36/48/32/809364832.db2.gz SDNNREHKZUIUDI-UHFFFAOYSA-N 1 1 286.169 2.377 20 10 CECDMO CCOc1cccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c1O ZINC001206157182 815298773 /nfs/dbraw/zinc/29/87/73/815298773.db2.gz XATYWGWDJQKBJK-STQMWFEESA-N 1 1 282.359 2.052 20 10 CECDMO CCOc1cccc(C[N@@H+]2CC[C@H](N)[C@@H](F)CC2)c1O ZINC001206157182 815298778 /nfs/dbraw/zinc/29/87/78/815298778.db2.gz XATYWGWDJQKBJK-STQMWFEESA-N 1 1 282.359 2.052 20 10 CECDMO CCOc1cccc(C[N@H+]2CC[C@H](N)[C@@H](F)CC2)c1O ZINC001206157182 815298783 /nfs/dbraw/zinc/29/87/83/815298783.db2.gz XATYWGWDJQKBJK-STQMWFEESA-N 1 1 282.359 2.052 20 10 CECDMO COC(=O)[C@H]1CCC[N@@H+](Cc2c([O-])cccc2F)[C@H]1C ZINC001137838435 809798206 /nfs/dbraw/zinc/79/82/06/809798206.db2.gz AAHNFPIZTFDDAD-QWRGUYRKSA-N 1 1 281.327 2.305 20 10 CECDMO COC(=O)[C@H]1CCC[N@H+](Cc2c(O)cccc2F)[C@H]1C ZINC001137838435 809798210 /nfs/dbraw/zinc/79/82/10/809798210.db2.gz AAHNFPIZTFDDAD-QWRGUYRKSA-N 1 1 281.327 2.305 20 10 CECDMO COC(=O)[C@H]1CCC[N@@H+](Cc2c(O)cccc2F)[C@H]1C ZINC001137838435 809798214 /nfs/dbraw/zinc/79/82/14/809798214.db2.gz AAHNFPIZTFDDAD-QWRGUYRKSA-N 1 1 281.327 2.305 20 10 CECDMO C[N@@H+](Cc1cc(F)cc(F)c1O)C[C@@H]1CCCO1 ZINC000708423677 809929568 /nfs/dbraw/zinc/92/95/68/809929568.db2.gz VCIWGWRJJYOIIZ-NSHDSACASA-N 1 1 257.280 2.281 20 10 CECDMO C[N@H+](Cc1cc(F)cc(F)c1O)C[C@@H]1CCCO1 ZINC000708423677 809929570 /nfs/dbraw/zinc/92/95/70/809929570.db2.gz VCIWGWRJJYOIIZ-NSHDSACASA-N 1 1 257.280 2.281 20 10 CECDMO C[C@H]([NH2+]Cc1cc(F)cc(F)c1O)[C@H]1CCOC1 ZINC000708438580 809931206 /nfs/dbraw/zinc/93/12/06/809931206.db2.gz WURUMJUNYLBWJH-IUCAKERBSA-N 1 1 257.280 2.185 20 10 CECDMO CCn1cc(C[NH2+]Cc2cc(F)cc(F)c2O)cn1 ZINC000708535858 809945108 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CC[C@H]1C[N@H+](CC)CCN1Cc1cccc(OC)c1O ZINC000825004924 813807893 /nfs/dbraw/zinc/80/78/93/813807893.db2.gz AGWUGLSLCMXCMC-AWEZNQCLSA-N 1 1 278.396 2.317 20 10 CECDMO CC[C@H]1C[N@@H+](CC)CCN1Cc1cccc(OC)c1O ZINC000825004924 813807903 /nfs/dbraw/zinc/80/79/03/813807903.db2.gz AGWUGLSLCMXCMC-AWEZNQCLSA-N 1 1 278.396 2.317 20 10 CECDMO C[C@@]1(O)CCCC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC001138122595 815731205 /nfs/dbraw/zinc/73/12/05/815731205.db2.gz PAPOMOSAAHEWNJ-CQSZACIVSA-N 1 1 253.317 2.268 20 10 CECDMO C[C@@]1(O)CCCC[N@H+](Cc2cccc(F)c2O)C1 ZINC001138122595 815731209 /nfs/dbraw/zinc/73/12/09/815731209.db2.gz PAPOMOSAAHEWNJ-CQSZACIVSA-N 1 1 253.317 2.268 20 10 CECDMO C[C@@]1(O)CCCC[N@@H+](Cc2cccc(F)c2O)C1 ZINC001138122595 815731213 /nfs/dbraw/zinc/73/12/13/815731213.db2.gz PAPOMOSAAHEWNJ-CQSZACIVSA-N 1 1 253.317 2.268 20 10 CECDMO Cc1c(C[NH+]2CC(N3CC(F)C3)C2)c2ccccc2n1C ZINC001138252373 815754789 /nfs/dbraw/zinc/75/47/89/815754789.db2.gz DUTYZFUXOFGXSF-UHFFFAOYSA-N 1 1 287.382 2.325 20 10 CECDMO Cc1c(C[N@H+]2CC[C@]3(CCNC3=O)C2)c2ccccc2n1C ZINC001138254028 815754903 /nfs/dbraw/zinc/75/49/03/815754903.db2.gz OEWRHZVKTRGKLV-GOSISDBHSA-N 1 1 297.402 2.199 20 10 CECDMO Cc1c(C[N@H+]2CCC3(C2)OCCO3)c2ccccc2n1C ZINC001138256578 815756340 /nfs/dbraw/zinc/75/63/40/815756340.db2.gz BMVSTISANHNBNV-UHFFFAOYSA-N 1 1 286.375 2.436 20 10 CECDMO C[C@@H]1C[C@@H](O)CC[N@H+]1Cc1ccc2c(c1)CCCN2C ZINC001138356425 815774663 /nfs/dbraw/zinc/77/46/63/815774663.db2.gz NXUBSDAKCPCXCJ-CJNGLKHVSA-N 1 1 274.408 2.414 20 10 CECDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H]2CO)c(OC)c1 ZINC001138386897 815785521 /nfs/dbraw/zinc/78/55/21/815785521.db2.gz ZLVHCSVRGGCJSH-MRXNPFEDSA-N 1 1 292.423 2.498 20 10 CECDMO CN1CCN(c2ccc(C[NH+]3CC4(CCC4)C3)cc2)CC1 ZINC001139407742 816018933 /nfs/dbraw/zinc/01/89/33/816018933.db2.gz CBPIEWDWJWINGI-UHFFFAOYSA-N 1 1 285.435 2.424 20 10 CECDMO C[N@H+](Cc1ccc(N2CCCC2)cc1)Cc1nccnc1N ZINC001140015690 816166300 /nfs/dbraw/zinc/16/63/00/816166300.db2.gz KHFIAISWNJGRML-UHFFFAOYSA-N 1 1 297.406 2.291 20 10 CECDMO C[N@@H+](Cc1ccc(N2CCCC2)cc1)Cc1nccnc1N ZINC001140015690 816166306 /nfs/dbraw/zinc/16/63/06/816166306.db2.gz KHFIAISWNJGRML-UHFFFAOYSA-N 1 1 297.406 2.291 20 10 CECDMO C[C@]1(O)CCCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC001140058340 816180725 /nfs/dbraw/zinc/18/07/25/816180725.db2.gz XABHZVPLTKDVLZ-AWEZNQCLSA-N 1 1 253.317 2.268 20 10 CECDMO O=c1ccc2c([nH]1)CC[N@H+](Cc1cc(F)ccc1O)CC2 ZINC001140058994 816181470 /nfs/dbraw/zinc/18/14/70/816181470.db2.gz SJOWHMRDESTUAZ-UHFFFAOYSA-N 1 1 288.322 2.233 20 10 CECDMO Cc1ccc(C)c(C[N@H+]2CCc3cnn(C)c3C2)c1O ZINC001140184300 816205743 /nfs/dbraw/zinc/20/57/43/816205743.db2.gz QXRUWQFYENJCOR-UHFFFAOYSA-N 1 1 271.364 2.301 20 10 CECDMO CC(=O)N1CC[N@H+](Cc2c(C)ccc(C)c2O)C[C@@H]1C ZINC001140183307 816206405 /nfs/dbraw/zinc/20/64/05/816206405.db2.gz BFPXRCUWUFHBMN-ZDUSSCGKSA-N 1 1 276.380 2.062 20 10 CECDMO COC(=O)[C@@]1(C)CC[N@@H+](Cc2c(C)ccc(C)c2O)C1 ZINC001140184905 816207856 /nfs/dbraw/zinc/20/78/56/816207856.db2.gz 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CCOc1cccc(C[N@H+]2CCC[C@H](CO)[C@H]2C)c1O ZINC000840980357 628988768 /nfs/dbraw/zinc/98/87/68/628988768.db2.gz XHJROWMCZUYIHR-TZMCWYRMSA-N 1 1 279.380 2.384 20 10 CECDMO COc1cc(C)cc(C[N@H+]2CCC[C@H](CCO)C2)c1O ZINC000894004705 629083412 /nfs/dbraw/zinc/08/34/12/629083412.db2.gz XKKRCSDTQGWNFL-CYBMUJFWSA-N 1 1 279.380 2.304 20 10 CECDMO C[C@H](O)C[C@@H]1CCC[N@@H+]1Cc1cc(F)cc(F)c1O ZINC000894035048 629091763 /nfs/dbraw/zinc/09/17/63/629091763.db2.gz XEAGNJIJCUKALV-CABZTGNLSA-N 1 1 271.307 2.406 20 10 CECDMO C[C@H](O)C[C@@H]1CCC[N@H+]1Cc1cc(F)cc(F)c1O ZINC000894035048 629091764 /nfs/dbraw/zinc/09/17/64/629091764.db2.gz XEAGNJIJCUKALV-CABZTGNLSA-N 1 1 271.307 2.406 20 10 CECDMO COc1cc(C)cc(C[NH2+]Cc2cc(C)on2)c1O ZINC000894203633 629206941 /nfs/dbraw/zinc/20/69/41/629206941.db2.gz DILIBGCFVQPZMF-UHFFFAOYSA-N 1 1 262.309 2.295 20 10 CECDMO Cc1cccc(C[N@@H+](C)[C@H]2CC(C)(C)OC2=O)c1O ZINC000814180696 629210494 /nfs/dbraw/zinc/21/04/94/629210494.db2.gz RCKQNLBTKMZEHA-LBPRGKRZSA-N 1 1 263.337 2.227 20 10 CECDMO Cc1cccc(C[N@H+](C)[C@H]2CC(C)(C)OC2=O)c1O ZINC000814180696 629210496 /nfs/dbraw/zinc/21/04/96/629210496.db2.gz RCKQNLBTKMZEHA-LBPRGKRZSA-N 1 1 263.337 2.227 20 10 CECDMO C[C@H](O)C[N@@H+](C)Cc1cc(Br)cc(F)c1[O-] ZINC000894449855 629464450 /nfs/dbraw/zinc/46/44/50/629464450.db2.gz FBYMMCRNXDMPGB-ZETCQYMHSA-N 1 1 292.148 2.106 20 10 CECDMO C[C@H](O)C[N@H+](C)Cc1cc(Br)cc(F)c1O ZINC000894449855 629464452 /nfs/dbraw/zinc/46/44/52/629464452.db2.gz FBYMMCRNXDMPGB-ZETCQYMHSA-N 1 1 292.148 2.106 20 10 CECDMO C[C@H](O)C[N@@H+](C)Cc1cc(Br)cc(F)c1O ZINC000894449855 629464455 /nfs/dbraw/zinc/46/44/55/629464455.db2.gz FBYMMCRNXDMPGB-ZETCQYMHSA-N 1 1 292.148 2.106 20 10 CECDMO CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1cc(F)cc(F)c1O ZINC000894453937 629467255 /nfs/dbraw/zinc/46/72/55/629467255.db2.gz JJCRXSNABQVRMV-LBPRGKRZSA-N 1 1 271.307 2.406 20 10 CECDMO CC(C)(O)[C@@H]1CCC[N@H+]1Cc1cc(F)cc(F)c1O ZINC000894453937 629467263 /nfs/dbraw/zinc/46/72/63/629467263.db2.gz JJCRXSNABQVRMV-LBPRGKRZSA-N 1 1 271.307 2.406 20 10 CECDMO C[C@@H]1CN(Cc2cc(F)cc(F)c2O)[C@@H](C)C[N@@H+]1C ZINC000894482281 629481015 /nfs/dbraw/zinc/48/10/15/629481015.db2.gz BJVQHGVLABQZIC-ZJUUUORDSA-N 1 1 270.323 2.195 20 10 CECDMO C[C@@H]1CN(Cc2cc(F)cc(F)c2O)[C@@H](C)C[N@H+]1C ZINC000894482281 629481016 /nfs/dbraw/zinc/48/10/16/629481016.db2.gz BJVQHGVLABQZIC-ZJUUUORDSA-N 1 1 270.323 2.195 20 10 CECDMO COc1cc(C)cc(C[NH2+][C@H](C)c2nc(C)no2)c1O ZINC000894543869 629524237 /nfs/dbraw/zinc/52/42/37/629524237.db2.gz XMWVHUJKEWRJJS-SECBINFHSA-N 1 1 277.324 2.251 20 10 CECDMO O=c1[nH]ccc2c1C[N@@H+](Cc1cc(F)cc(F)c1[O-])CC2 ZINC000894563707 629532563 /nfs/dbraw/zinc/53/25/63/629532563.db2.gz UVCOYQZQWWZDHE-UHFFFAOYSA-N 1 1 292.285 2.329 20 10 CECDMO CC[C@@H]1[C@H](CO)CC[N@H+]1Cc1ccc(OC)c(OC)c1O ZINC000894687454 629589418 /nfs/dbraw/zinc/58/94/18/629589418.db2.gz HETRWZXJYWGTGB-QWHCGFSZSA-N 1 1 295.379 2.002 20 10 CECDMO C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cc(F)cc(F)c1[O-] ZINC000894783208 629640347 /nfs/dbraw/zinc/64/03/47/629640347.db2.gz QTWZINOWQXANEW-HZMBPMFUSA-N 1 1 284.350 2.442 20 10 CECDMO C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cc(F)cc(F)c1[O-] ZINC000894783208 629640348 /nfs/dbraw/zinc/64/03/48/629640348.db2.gz QTWZINOWQXANEW-HZMBPMFUSA-N 1 1 284.350 2.442 20 10 CECDMO C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000894783208 629640350 /nfs/dbraw/zinc/64/03/50/629640350.db2.gz QTWZINOWQXANEW-HZMBPMFUSA-N 1 1 284.350 2.442 20 10 CECDMO C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000894783208 629640352 /nfs/dbraw/zinc/64/03/52/629640352.db2.gz QTWZINOWQXANEW-HZMBPMFUSA-N 1 1 284.350 2.442 20 10 CECDMO CO[C@H]1C[C@@H]([N@@H+](C)Cc2cc3c(cc2O)CCC3)C1 ZINC000795675378 629651301 /nfs/dbraw/zinc/65/13/01/629651301.db2.gz OBUXSQJIZNRDOP-GASCZTMLSA-N 1 1 261.365 2.490 20 10 CECDMO Cc1cc(O)c(C[N@@H+]2[C@H](C)C(=O)N[C@@H](C)[C@H]2C)cc1C ZINC000895117747 629917606 /nfs/dbraw/zinc/91/76/06/629917606.db2.gz WAYHFRCQWAUNNZ-YNEHKIRRSA-N 1 1 276.380 2.106 20 10 CECDMO CC[C@H]([NH2+]CCCn1cncn1)c1ccc(F)cc1O ZINC000796875316 630047360 /nfs/dbraw/zinc/04/73/60/630047360.db2.gz XZOWPMJBXDTXOT-ZDUSSCGKSA-N 1 1 278.331 2.254 20 10 CECDMO COc1cc(C)cc(C[N@H+]2C[C@@H](C)[C@@](C)(CO)C2)c1O ZINC000895345872 630127245 /nfs/dbraw/zinc/12/72/45/630127245.db2.gz WYTJJFAVKDWBDG-MLGOLLRUSA-N 1 1 279.380 2.160 20 10 CECDMO Oc1ccc(F)cc1C[NH2+]C1(c2ncccn2)CCC1 ZINC000895623671 630277482 /nfs/dbraw/zinc/27/74/82/630277482.db2.gz SKBPSXFNTOXPAR-UHFFFAOYSA-N 1 1 273.311 2.490 20 10 CECDMO Oc1cccc(Cl)c1C[N@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC000895785631 630344696 /nfs/dbraw/zinc/34/46/96/630344696.db2.gz YGVHCRZXQLRGKQ-ISTVAULSSA-N 1 1 267.756 2.248 20 10 CECDMO Cc1ccc(O)c(C[N@H+]2[C@H](C)C(=O)N(C)[C@@H](C)[C@H]2C)c1 ZINC000895923624 630404956 /nfs/dbraw/zinc/40/49/56/630404956.db2.gz XOCLTXMALAQZRI-YNEHKIRRSA-N 1 1 276.380 2.140 20 10 CECDMO Cc1nc([C@@H]2CC[N@@H+](Cc3ccc(C)cc3O)C2)no1 ZINC000896230191 630504165 /nfs/dbraw/zinc/50/41/65/630504165.db2.gz IOQSMEJAKWFGAW-CYBMUJFWSA-N 1 1 273.336 2.382 20 10 CECDMO Oc1cccc(Cl)c1C[N@H+]1CC[C@H](C2OCCO2)C1 ZINC000896384559 630549171 /nfs/dbraw/zinc/54/91/71/630549171.db2.gz MYPKIUMTRWBQST-JTQLQIEISA-N 1 1 283.755 2.240 20 10 CECDMO Cc1cc(Cl)cc(C[N@@H+]2CC[C@@](F)(CO)C2)c1O ZINC000802660123 631442143 /nfs/dbraw/zinc/44/21/43/631442143.db2.gz BSFNEZYALDCYHB-ZDUSSCGKSA-N 1 1 273.735 2.260 20 10 CECDMO Cc1cc(Cl)cc(C[N@H+]2CC[C@@](F)(CO)C2)c1O ZINC000802660123 631442148 /nfs/dbraw/zinc/44/21/48/631442148.db2.gz BSFNEZYALDCYHB-ZDUSSCGKSA-N 1 1 273.735 2.260 20 10 CECDMO C[C@@H](NC(=O)NCC[N@H+]1CC[C@H](C)C1)c1ccccc1O ZINC000897468879 631533893 /nfs/dbraw/zinc/53/38/93/631533893.db2.gz ASBMYYCYSBDKGR-QWHCGFSZSA-N 1 1 291.395 2.094 20 10 CECDMO CCN(CC)c1ccc(CN(C)C2CC([NH3+])C2)cc1 ZINC000843124581 631735875 /nfs/dbraw/zinc/73/58/75/631735875.db2.gz CKBRIGIXVKUTMI-UHFFFAOYSA-N 1 1 261.413 2.454 20 10 CECDMO COc1nn(C)cc1C[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000898026216 632020413 /nfs/dbraw/zinc/02/04/13/632020413.db2.gz ZDZBVZOLNVHWBX-UHFFFAOYSA-N 1 1 295.770 2.386 20 10 CECDMO Oc1cc(F)c(Cl)cc1C[NH2+]CC[C@H](O)C1CC1 ZINC000898197008 632111289 /nfs/dbraw/zinc/11/12/89/632111289.db2.gz BRYYGNAFXONMGK-LBPRGKRZSA-N 1 1 273.735 2.435 20 10 CECDMO COc1cccc(O)c1C[N@@H+]1CC[C@H](N2CCCC2)[C@H]1C ZINC000809724183 632133704 /nfs/dbraw/zinc/13/37/04/632133704.db2.gz GBPSQPZUAYCSQL-HIFRSBDPSA-N 1 1 290.407 2.459 20 10 CECDMO COc1cccc(O)c1C[N@H+]1CC[C@H](N2CCCC2)[C@H]1C ZINC000809724183 632133709 /nfs/dbraw/zinc/13/37/09/632133709.db2.gz GBPSQPZUAYCSQL-HIFRSBDPSA-N 1 1 290.407 2.459 20 10 CECDMO Cc1cc(O)c(C[N@@H+](C)C[C@@H](O)C(F)(F)F)cc1C ZINC000809750744 632139630 /nfs/dbraw/zinc/13/96/30/632139630.db2.gz GDGQSPRAHCNPDX-GFCCVEGCSA-N 1 1 277.286 2.364 20 10 CECDMO Cc1c[nH]nc1C[NH2+]CCCSc1nccs1 ZINC000810146733 632187610 /nfs/dbraw/zinc/18/76/10/632187610.db2.gz VWSCOUMIYZCATO-UHFFFAOYSA-N 1 1 268.411 2.447 20 10 CECDMO C[C@@H]([NH2+]CC1CC2(C1)OCCO2)c1c(O)cccc1F ZINC000926999584 632411686 /nfs/dbraw/zinc/41/16/86/632411686.db2.gz KYKRLFYEAFEEHR-SNVBAGLBSA-N 1 1 281.327 2.335 20 10 CECDMO COc1c(O)c(C[NH2+]C/C=C/Cl)ccc1[N+](=O)[O-] ZINC000898431661 632494072 /nfs/dbraw/zinc/49/40/72/632494072.db2.gz BPIGZJJYQQGUEM-GORDUTHDSA-N 1 1 272.688 2.151 20 10 CECDMO CN(C)c1ccc([C@H](CNCC2(F)CC2)[NH+](C)C)cc1 ZINC000898451320 632500094 /nfs/dbraw/zinc/50/00/94/632500094.db2.gz XPBQVTSXUYKHGX-HNNXBMFYSA-N 1 1 279.403 2.447 20 10 CECDMO Cc1cc(C[N@H+]2CCSC[C@H]2CCO)ccc1N(C)C ZINC000815061441 632953164 /nfs/dbraw/zinc/95/31/64/632953164.db2.gz VEAZGTUEFMLWRN-OAHLLOKOSA-N 1 1 294.464 2.361 20 10 CECDMO CCC[C@H]1C(=O)NCC[N@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000815078192 632955649 /nfs/dbraw/zinc/95/56/49/632955649.db2.gz QWTJRBLLZKYAOE-INIZCTEOSA-N 1 1 289.423 2.162 20 10 CECDMO CCC[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000815078192 632955653 /nfs/dbraw/zinc/95/56/53/632955653.db2.gz QWTJRBLLZKYAOE-INIZCTEOSA-N 1 1 289.423 2.162 20 10 CECDMO Cc1cc(C[N@H+](C)[C@H](CO)COC(C)C)ccc1N(C)C ZINC000815101766 632959796 /nfs/dbraw/zinc/95/97/96/632959796.db2.gz AKCUPTIGOYEIPA-MRXNPFEDSA-N 1 1 294.439 2.279 20 10 CECDMO Cn1ncc(C[N@H+](C)Cc2ccccc2O)c1Cl ZINC000816492740 633396362 /nfs/dbraw/zinc/39/63/62/633396362.db2.gz AVNNCPMHFKCYPA-UHFFFAOYSA-N 1 1 265.744 2.411 20 10 CECDMO Cn1ncc(C[N@@H+](C)Cc2ccccc2O)c1Cl ZINC000816492740 633396369 /nfs/dbraw/zinc/39/63/69/633396369.db2.gz AVNNCPMHFKCYPA-UHFFFAOYSA-N 1 1 265.744 2.411 20 10 CECDMO O=C1C[C@H]([NH2+]Cc2cc(Cl)c(F)cc2O)CN1C1CC1 ZINC000816562961 633413434 /nfs/dbraw/zinc/41/34/34/633413434.db2.gz FVHVHNGYHZWZTG-VIFPVBQESA-N 1 1 298.745 2.038 20 10 CECDMO C[N@H+](Cc1cc(Cl)c(F)cc1[O-])C[C@@H](O)C1CC1 ZINC000816611457 633421035 /nfs/dbraw/zinc/42/10/35/633421035.db2.gz QKXNVJVHQISOMG-CYBMUJFWSA-N 1 1 273.735 2.387 20 10 CECDMO C[N@@H+](Cc1cc(Cl)c(F)cc1O)C[C@@H](O)C1CC1 ZINC000816611457 633421040 /nfs/dbraw/zinc/42/10/40/633421040.db2.gz QKXNVJVHQISOMG-CYBMUJFWSA-N 1 1 273.735 2.387 20 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C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000843057245 640260025 /nfs/dbraw/zinc/26/00/25/640260025.db2.gz HLDLCABARLOYOP-ZJUUUORDSA-N 1 1 299.212 2.324 20 10 CECDMO C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000843058740 640261508 /nfs/dbraw/zinc/26/15/08/640261508.db2.gz XFIHVOZAOZEKNW-IUCAKERBSA-N 1 1 299.758 2.123 20 10 CECDMO C[C@@H]1CN(Cc2c(O)ccc(Cl)c2F)[C@@H](C)C[NH2+]1 ZINC000843119702 640288126 /nfs/dbraw/zinc/28/81/26/640288126.db2.gz CSLOZJINESPPBT-BDAKNGLRSA-N 1 1 272.751 2.367 20 10 CECDMO C[C@@H]1CN(Cc2cccc(Br)c2O)[C@@H](C)C[NH2+]1 ZINC000843120057 640288412 /nfs/dbraw/zinc/28/84/12/640288412.db2.gz SSFVMXNXGJWLQX-ZJUUUORDSA-N 1 1 299.212 2.337 20 10 CECDMO [O-]c1c(Cl)cccc1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000843120540 640289264 /nfs/dbraw/zinc/28/92/64/640289264.db2.gz PBAYYRJCZIBYTP-AWEZNQCLSA-N 1 1 266.772 2.231 20 10 CECDMO COc1cccc([O-])c1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000843125190 640291955 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CCN(CC)c1ccc(C[N@H+]2C[C@@H]3C[C@H]2C[S@]3=O)cc1 ZINC000846101093 641180323 /nfs/dbraw/zinc/18/03/23/641180323.db2.gz ZOOUDGAUSYGUFY-TWOQFEAHSA-N 1 1 292.448 2.238 20 10 CECDMO COc1cccc(O)c1C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000846113430 641187909 /nfs/dbraw/zinc/18/79/09/641187909.db2.gz YEQDXMQTWHDHSR-AOOOYVTPSA-N 1 1 255.264 2.098 20 10 CECDMO CC[C@H]([NH2+]C[C@H]1CC(=O)N(CC)C1)c1ccc(F)cc1O ZINC000846208404 641222272 /nfs/dbraw/zinc/22/22/72/641222272.db2.gz JNJXOGZPONGAFF-RISCZKNCSA-N 1 1 294.370 2.440 20 10 CECDMO C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000846699934 641400434 /nfs/dbraw/zinc/40/04/34/641400434.db2.gz YHHCDUQXSWTDQQ-KWQFWETISA-N 1 1 299.758 2.265 20 10 CECDMO C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000846699934 641400440 /nfs/dbraw/zinc/40/04/40/641400440.db2.gz YHHCDUQXSWTDQQ-KWQFWETISA-N 1 1 299.758 2.265 20 10 CECDMO C[C@@H](NC(=O)C[N@H+]1CC[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000847759754 641762753 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ZINC000894330761 629361003 /nfs/dbraw/zinc/36/10/03/629361003.db2.gz SUAZFWJRHRXUMU-ZDUSSCGKSA-N 1 1 287.363 2.079 20 10 CECDMO COc1cc(C)cc(C[NH2+]Cc2nnc(C)s2)c1O ZINC000894432026 629457068 /nfs/dbraw/zinc/45/70/68/629457068.db2.gz UBOBSETYZYIQCB-UHFFFAOYSA-N 1 1 279.365 2.159 20 10 CECDMO C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cc(F)cc(F)c1[O-] ZINC000894783209 629639656 /nfs/dbraw/zinc/63/96/56/629639656.db2.gz QTWZINOWQXANEW-IINYFYTJSA-N 1 1 284.350 2.442 20 10 CECDMO C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cc(F)cc(F)c1[O-] ZINC000894783209 629639657 /nfs/dbraw/zinc/63/96/57/629639657.db2.gz QTWZINOWQXANEW-IINYFYTJSA-N 1 1 284.350 2.442 20 10 CECDMO C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000894783209 629639663 /nfs/dbraw/zinc/63/96/63/629639663.db2.gz QTWZINOWQXANEW-IINYFYTJSA-N 1 1 284.350 2.442 20 10 CECDMO C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000894783209 629639664 /nfs/dbraw/zinc/63/96/64/629639664.db2.gz QTWZINOWQXANEW-IINYFYTJSA-N 1 1 284.350 2.442 20 10 CECDMO COC[C@@H]1CCCC[N@H+]1Cc1ccc(OC)c(OC)c1O ZINC000894784267 629641057 /nfs/dbraw/zinc/64/10/57/629641057.db2.gz KURPIBVKHHDSHD-ZDUSSCGKSA-N 1 1 295.379 2.410 20 10 CECDMO Cc1cc(O)c(C[N@@H+]2[C@H](C)C(=O)N[C@H](C)[C@H]2C)cc1C ZINC000895117745 629917845 /nfs/dbraw/zinc/91/78/45/629917845.db2.gz WAYHFRCQWAUNNZ-JHJVBQTASA-N 1 1 276.380 2.106 20 10 CECDMO CC[C@H]([NH2+][C@@H](C)[C@H]1CN(C)CCO1)c1ccc(F)cc1O ZINC000796839544 630032323 /nfs/dbraw/zinc/03/23/23/630032323.db2.gz QUSSHLYYCVIQMO-HZUKXOBISA-N 1 1 296.386 2.291 20 10 CECDMO CCc1cccc(C[N@H+]2CCc3ncncc3C2)c1O ZINC000895724806 630316217 /nfs/dbraw/zinc/31/62/17/630316217.db2.gz ULRMXGYUXHRYMA-UHFFFAOYSA-N 1 1 269.348 2.303 20 10 CECDMO CN(C)c1ccc(/C=C\C[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)cc1 ZINC000895780166 630348558 /nfs/dbraw/zinc/34/85/58/630348558.db2.gz DJTNBTSRMDRKJK-BDCJCWEESA-N 1 1 286.419 2.469 20 10 CECDMO OC[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000895835396 630371832 /nfs/dbraw/zinc/37/18/32/630371832.db2.gz CFGVAVHXYJEGNI-GFCCVEGCSA-N 1 1 293.260 2.278 20 10 CECDMO COc1cccc(C[NH+]2CC(OC(C)C)C2)c1O ZINC000895951397 630416690 /nfs/dbraw/zinc/41/66/90/630416690.db2.gz FQPKJKVITJJBPF-UHFFFAOYSA-N 1 1 251.326 2.010 20 10 CECDMO COc1ccc(C[N@H+]2C[C@H](OC)CC[C@@H]2C)c(O)c1OC ZINC000896076473 630458595 /nfs/dbraw/zinc/45/85/95/630458595.db2.gz QRJTVRUFFNMVEB-WCQYABFASA-N 1 1 295.379 2.409 20 10 CECDMO COc1cccc(C[N@H+]2CC[C@@H](c3noc(C)n3)C2)c1O ZINC000896241292 630509651 /nfs/dbraw/zinc/50/96/51/630509651.db2.gz XLPMUZFQDMZSMQ-GFCCVEGCSA-N 1 1 289.335 2.082 20 10 CECDMO CCOC(=O)C1(C)CC([NH2+]Cc2c(O)cccc2F)C1 ZINC000896642079 630622902 /nfs/dbraw/zinc/62/29/02/630622902.db2.gz PREPGQYYSDUTJD-UHFFFAOYSA-N 1 1 281.327 2.353 20 10 CECDMO C[C@@H]([NH2+]CCCO)c1cccc(C(F)(F)F)c1O ZINC000798179937 630830026 /nfs/dbraw/zinc/83/00/26/630830026.db2.gz ULHZPKNDOGNVKE-MRVPVSSYSA-N 1 1 263.259 2.444 20 10 CECDMO CCO[C@H]1CC[N@@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000897061230 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1 264.369 2.023 20 10 CECDMO COc1cc(O)c(CNCC2([NH3+])CCCCC2)cc1OC ZINC000841039688 639630139 /nfs/dbraw/zinc/63/01/39/639630139.db2.gz ZKYRENGLJOSDII-UHFFFAOYSA-N 1 1 294.395 2.161 20 10 CECDMO [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2c([O-])cccc2Cl)C1 ZINC000841056919 639634316 /nfs/dbraw/zinc/63/43/16/639634316.db2.gz FYUXGIGPEDWXGT-NXEZZACHSA-N 1 1 254.761 2.405 20 10 CECDMO C[C@@H]1CCNC[C@@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000841059577 639636423 /nfs/dbraw/zinc/63/64/23/639636423.db2.gz UUTXMQQXLMKTCB-SKDRFNHKSA-N 1 1 299.212 2.242 20 10 CECDMO [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000841058874 639637090 /nfs/dbraw/zinc/63/70/90/639637090.db2.gz WSWCAFCNOICFFD-GFCCVEGCSA-N 1 1 254.761 2.277 20 10 CECDMO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CNCC[C@H]1C ZINC000841059733 639637183 /nfs/dbraw/zinc/63/71/83/639637183.db2.gz WIWRZHAOFBMBNS-MLGOLLRUSA-N 1 1 261.413 2.149 20 10 CECDMO C[C@@H]1C[NH2+]CC[C@H]1NC/C=C/c1ccc(N(C)C)cc1 ZINC000841063995 639640063 /nfs/dbraw/zinc/64/00/63/639640063.db2.gz NRNTYMKQLCJRHJ-XUOJHOASSA-N 1 1 273.424 2.353 20 10 CECDMO C[C@H]1C[C@H]([NH2+]Cc2c(O)ccc(Cl)c2F)CO1 ZINC000842773543 640177740 /nfs/dbraw/zinc/17/77/40/640177740.db2.gz ADBQDIBPCZIKAP-YUMQZZPRSA-N 1 1 259.708 2.452 20 10 CECDMO C[C@H]1CN(Cc2cc(Cl)cc(F)c2O)C[C@H](C)[NH2+]1 ZINC000843049200 640253456 /nfs/dbraw/zinc/25/34/56/640253456.db2.gz JDWNVFMQFWRKHM-IUCAKERBSA-N 1 1 272.751 2.367 20 10 CECDMO CN(C)c1ccc(CN(C)CC(C)(C)C[NH3+])cc1F ZINC000843056613 640258539 /nfs/dbraw/zinc/25/85/39/640258539.db2.gz SMOVHYDQPZYLKP-UHFFFAOYSA-N 1 1 267.392 2.308 20 10 CECDMO CCOC(=O)CC[N@@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844399864 640708617 /nfs/dbraw/zinc/70/86/17/640708617.db2.gz QRCWWUDEPDMGGA-UHFFFAOYSA-N 1 1 294.395 2.016 20 10 CECDMO COc1ccc(N(C)CC[N@@H+](C)Cc2c[nH]nc2C)cc1 ZINC000846052470 641163927 /nfs/dbraw/zinc/16/39/27/641163927.db2.gz ODQQSXRPAQMOGX-UHFFFAOYSA-N 1 1 288.395 2.295 20 10 CECDMO C[C@@H]([NH2+]CC[C@]1(O)CCCOC1)c1ccc(F)cc1O ZINC000846214707 641225143 /nfs/dbraw/zinc/22/51/43/641225143.db2.gz VPOZFMMSBRSPTP-IAQYHMDHSA-N 1 1 283.343 2.114 20 10 CECDMO C[C@H]([NH2+]CC[C@@]1(O)CCCOC1)c1ccc(F)cc1O ZINC000846214709 641225670 /nfs/dbraw/zinc/22/56/70/641225670.db2.gz VPOZFMMSBRSPTP-NHYWBVRUSA-N 1 1 283.343 2.114 20 10 CECDMO CCOc1ccc(O)c(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000179868054 641389030 /nfs/dbraw/zinc/38/90/30/641389030.db2.gz QHQSWXZNWIHZSK-LLVKDONJSA-N 1 1 251.326 2.012 20 10 CECDMO CCOc1ccc(O)c(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000179868054 641389038 /nfs/dbraw/zinc/38/90/38/641389038.db2.gz QHQSWXZNWIHZSK-LLVKDONJSA-N 1 1 251.326 2.012 20 10 CECDMO C[C@H]1C[C@@H]([NH3+])CCN1Cc1c(O)ccc(Cl)c1F ZINC000846703698 641402887 /nfs/dbraw/zinc/40/28/87/641402887.db2.gz PMKYGZSFHNYCSY-IUCAKERBSA-N 1 1 272.751 2.496 20 10 CECDMO CC(=O)c1cc(Cl)cc(C[NH2+][C@H]2C[C@H](O)C2(C)C)c1O ZINC000846961865 641500107 /nfs/dbraw/zinc/50/01/07/641500107.db2.gz QZMOVVMPZVUMSD-STQMWFEESA-N 1 1 297.782 2.497 20 10 CECDMO C[C@@H]([NH2+]CCC1(C)OCCO1)c1ccc(F)cc1O ZINC000183885887 641810158 /nfs/dbraw/zinc/81/01/58/641810158.db2.gz QPSGFTQMNFFYBY-SNVBAGLBSA-N 1 1 269.316 2.335 20 10 CECDMO Cc1cccc(O)c1C[N@H+]1CCNC(=O)[C@H]1CC(C)C ZINC000877461252 650729766 /nfs/dbraw/zinc/72/97/66/650729766.db2.gz CHKCVNACVTTWDF-CQSZACIVSA-N 1 1 276.380 2.047 20 10 CECDMO CCc1cccc(C[N@@H+](C)C[C@@H](C)C(=O)OC)c1O ZINC000848882617 642169002 /nfs/dbraw/zinc/16/90/02/642169002.db2.gz VXCIVVAAJQKTTM-LLVKDONJSA-N 1 1 265.353 2.196 20 10 CECDMO CCc1cccc(C[N@@H+]2CC[S@](=O)[C@H](C)[C@@H]2C)c1O ZINC000848887719 642171979 /nfs/dbraw/zinc/17/19/79/642171979.db2.gz CKPQMATXDSPTBS-CRTZDJKQSA-N 1 1 281.421 2.296 20 10 CECDMO CCc1cccc(C[N@H+]2CC[S@](=O)[C@H](C)[C@@H]2C)c1O ZINC000848887719 642171983 /nfs/dbraw/zinc/17/19/83/642171983.db2.gz CKPQMATXDSPTBS-CRTZDJKQSA-N 1 1 281.421 2.296 20 10 CECDMO CCc1cccc(C[NH2+][C@@H](C)c2nnnn2C2CC2)c1O ZINC000848906495 642182484 /nfs/dbraw/zinc/18/24/84/642182484.db2.gz VHAODPYWWPVLGB-JTQLQIEISA-N 1 1 287.367 2.127 20 10 CECDMO CCC[C@]1(C)C(=O)NCC[N@@H+]1Cc1cccc(CC)c1O ZINC000848906474 642183217 /nfs/dbraw/zinc/18/32/17/642183217.db2.gz WTZZQSVEJHWASF-QGZVFWFLSA-N 1 1 290.407 2.445 20 10 CECDMO C[NH+]1CCC(C[NH2+]Cc2c([O-])cccc2Cl)CC1 ZINC000083552453 642205273 /nfs/dbraw/zinc/20/52/73/642205273.db2.gz LIKOIBUIEXDTIU-UHFFFAOYSA-N 1 1 268.788 2.477 20 10 CECDMO Cc1c(C[N@@H+](C)Cc2ccc(C)cc2O)cnn1C ZINC000877485777 650744588 /nfs/dbraw/zinc/74/45/88/650744588.db2.gz GRSRQZPQOTZIRA-UHFFFAOYSA-N 1 1 259.353 2.375 20 10 CECDMO CC(=O)NCC[C@H]1CCC[N@@H+](Cc2ccc(C)cc2O)C1 ZINC000877530328 650770641 /nfs/dbraw/zinc/77/06/41/650770641.db2.gz SHHJZONRMVCSGY-OAHLLOKOSA-N 1 1 290.407 2.439 20 10 CECDMO CCn1cc(C[NH2+]C/C=C\c2ccc(N(C)C)cc2)nn1 ZINC000850366696 642682991 /nfs/dbraw/zinc/68/29/91/642682991.db2.gz JHGZQMYIDKZNMI-WAYWQWQTSA-N 1 1 285.395 2.167 20 10 CECDMO CCC[N@@H+]1CC[C@@H](NCc2ccc(N(C)C)c(F)c2)C1 ZINC000850395263 642699156 /nfs/dbraw/zinc/69/91/56/642699156.db2.gz QGZRYIGUTMTRRS-CQSZACIVSA-N 1 1 279.403 2.466 20 10 CECDMO CCC[N@H+]1CC[C@@H](NCc2ccc(N(C)C)c(F)c2)C1 ZINC000850395263 642699158 /nfs/dbraw/zinc/69/91/58/642699158.db2.gz QGZRYIGUTMTRRS-CQSZACIVSA-N 1 1 279.403 2.466 20 10 CECDMO CO[C@H](C[NH2+][C@H](C)c1ccc(F)cc1O)[C@H]1CCOC1 ZINC000850485042 642729001 /nfs/dbraw/zinc/72/90/01/642729001.db2.gz WMMZAKBSYGFZQQ-JRPNMDOOSA-N 1 1 283.343 2.233 20 10 CECDMO CCn1cc(C[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)nn1 ZINC000850522520 642739193 /nfs/dbraw/zinc/73/91/93/642739193.db2.gz SUEQVYRHWVLSIX-CABZTGNLSA-N 1 1 290.342 2.481 20 10 CECDMO C[N@H+](Cc1ccccc1O)[C@@H](C(N)=O)c1ccccc1 ZINC000109770590 642925028 /nfs/dbraw/zinc/92/50/28/642925028.db2.gz VNQUJVKGSGUZQP-OAHLLOKOSA-N 1 1 270.332 2.051 20 10 CECDMO C[N@@H+](Cc1ccccc1O)[C@@H](C(N)=O)c1ccccc1 ZINC000109770590 642925033 /nfs/dbraw/zinc/92/50/33/642925033.db2.gz VNQUJVKGSGUZQP-OAHLLOKOSA-N 1 1 270.332 2.051 20 10 CECDMO Cc1cccc(O)c1C[N@H+]1CCO[C@]2(CCSC2)C1 ZINC000877605297 650810348 /nfs/dbraw/zinc/81/03/48/650810348.db2.gz YYEUUUZLFCUUBW-OAHLLOKOSA-N 1 1 279.405 2.409 20 10 CECDMO OC1CCN(c2ccc(C[N@H+]3C[C@@H]4C[C@@H]4C3)cc2)CC1 ZINC000877651638 650833952 /nfs/dbraw/zinc/83/39/52/650833952.db2.gz ZIBJCZAGISUZJD-GASCZTMLSA-N 1 1 272.392 2.099 20 10 CECDMO COC(=O)[C@@]1(C)C[N@@H+](Cc2ccccc2O)C[C@@H]1C ZINC000877666807 650841699 /nfs/dbraw/zinc/84/16/99/650841699.db2.gz OBUDPJSUPKIBEY-NHYWBVRUSA-N 1 1 263.337 2.023 20 10 CECDMO COC(=O)[C@@]1(C)C[N@@H+](Cc2ccc(C)cc2O)C[C@@H]1C ZINC000877667228 650841963 /nfs/dbraw/zinc/84/19/63/650841963.db2.gz USMJBYOFDVWOPW-LRDDRELGSA-N 1 1 277.364 2.332 20 10 CECDMO Cc1cc(C[N@@H+]2CCC[C@@H]2[C@H](C)O)ccc1N(C)C ZINC000852558042 643471520 /nfs/dbraw/zinc/47/15/20/643471520.db2.gz FBWMDUBUGQGQPQ-XJKSGUPXSA-N 1 1 262.397 2.406 20 10 CECDMO C[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)C[C@]1(C)CO ZINC000852701880 643517756 /nfs/dbraw/zinc/51/77/56/643517756.db2.gz GPJNPSRCEIZMJC-XJKSGUPXSA-N 1 1 262.397 2.203 20 10 CECDMO CC[C@@]1(O)CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000877691722 650852671 /nfs/dbraw/zinc/85/26/71/650852671.db2.gz UMHBSZAHRJJEAG-CQSZACIVSA-N 1 1 253.317 2.268 20 10 CECDMO Cc1cc(CN(C)C2CC[NH2+]CC2)ccc1N(C)C ZINC000923280335 643636909 /nfs/dbraw/zinc/63/69/09/643636909.db2.gz XETBTERZVHCBSD-UHFFFAOYSA-N 1 1 261.413 2.245 20 10 CECDMO Cc1cc(O)c(C[N@H+]2C[C@H]3COC[C@]3(C)C2)cc1C ZINC000853568300 643815736 /nfs/dbraw/zinc/81/57/36/643815736.db2.gz ZMHYKVINDNDPJR-HOCLYGCPSA-N 1 1 261.365 2.477 20 10 CECDMO CCOc1ccc(O)c(CN2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c1 ZINC000877743567 650888866 /nfs/dbraw/zinc/88/88/66/650888866.db2.gz LDWKPFMVCQBOQU-BBRMVZONSA-N 1 1 290.407 2.317 20 10 CECDMO CCOc1ccc(C[N@H+]2C[C@@H](O)CC(C)(C)C2)c(O)c1 ZINC000877752726 650896316 /nfs/dbraw/zinc/89/63/16/650896316.db2.gz JDARHPRBHSDFIG-ZDUSSCGKSA-N 1 1 279.380 2.384 20 10 CECDMO OC[C@@H]1CSCCN1Cc1cc(Cl)c(F)cc1O ZINC000877780390 650907983 /nfs/dbraw/zinc/90/79/83/650907983.db2.gz OWZDNYCFRKLOIU-SECBINFHSA-N 1 1 291.775 2.094 20 10 CECDMO COc1cc(C)cc(C[N@@H+]2CC[C@H](N3CCCC3)C2)c1O ZINC000754726138 644420968 /nfs/dbraw/zinc/42/09/68/644420968.db2.gz CDAJFJYVNULTDM-HNNXBMFYSA-N 1 1 290.407 2.379 20 10 CECDMO COc1cc(C)cc(C[N@H+]2CC[C@H](N3CCCC3)C2)c1O ZINC000754726138 644420974 /nfs/dbraw/zinc/42/09/74/644420974.db2.gz CDAJFJYVNULTDM-HNNXBMFYSA-N 1 1 290.407 2.379 20 10 CECDMO COc1cc(C)cc(C[N@H+]2CCCOC[C@@H]2C)c1O ZINC000754742082 644423539 /nfs/dbraw/zinc/42/35/39/644423539.db2.gz WYXBFUSLFLMFMO-LBPRGKRZSA-N 1 1 265.353 2.320 20 10 CECDMO COC1CCN(CC[NH2+][C@@H](C)c2ccc(F)cc2O)CC1 ZINC000756641910 644678267 /nfs/dbraw/zinc/67/82/67/644678267.db2.gz JLLGATRANICEQU-LBPRGKRZSA-N 1 1 296.386 2.293 20 10 CECDMO C[C@H](CC[S@@](C)=O)[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756742352 644688578 /nfs/dbraw/zinc/68/85/78/644688578.db2.gz KYKKMGDOHDIDQU-IXGDSRDXSA-N 1 1 291.363 2.478 20 10 CECDMO COCC1([NH2+][C@@H](C)c2cc(C(=O)OC)ccc2O)CC1 ZINC000756852173 644701043 /nfs/dbraw/zinc/70/10/43/644701043.db2.gz YRNVAMKSULONPR-JTQLQIEISA-N 1 1 279.336 2.008 20 10 CECDMO C[C@H]1CC[N@@H+](Cc2c(O)cccc2Cl)C[C@@H]1CO ZINC000857061650 644805847 /nfs/dbraw/zinc/80/58/47/644805847.db2.gz SVEUIABNSKDXOG-WDEREUQCSA-N 1 1 269.772 2.496 20 10 CECDMO COc1ccc2nc(C[N@H+](C)Cc3ccccc3O)[nH]c2n1 ZINC000760861327 645203073 /nfs/dbraw/zinc/20/30/73/645203073.db2.gz PQHOWCUZEXGIBX-UHFFFAOYSA-N 1 1 298.346 2.304 20 10 CECDMO COc1ccc2nc(C[N@@H+](C)Cc3ccccc3O)[nH]c2n1 ZINC000760861327 645203076 /nfs/dbraw/zinc/20/30/76/645203076.db2.gz PQHOWCUZEXGIBX-UHFFFAOYSA-N 1 1 298.346 2.304 20 10 CECDMO CCCN(Cc1ccccc1O)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000764607007 645663628 /nfs/dbraw/zinc/66/36/28/645663628.db2.gz CQGVNVXPYXOIDD-UKRRQHHQSA-N 1 1 290.407 2.471 20 10 CECDMO COc1cccc(O)c1C[N@@H+](C)C[C@H]1CCCCO1 ZINC000769032779 646194532 /nfs/dbraw/zinc/19/45/32/646194532.db2.gz GCSACLRMEXTMKA-GFCCVEGCSA-N 1 1 265.353 2.402 20 10 CECDMO COc1cccc(C[N@@H+](CCO)CC(C)(C)C)c1O ZINC000769338594 646248217 /nfs/dbraw/zinc/24/82/17/646248217.db2.gz RBWMNZDCOJFGQF-UHFFFAOYSA-N 1 1 267.369 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ZINC001140058097 816181582 /nfs/dbraw/zinc/18/15/82/816181582.db2.gz SNKPMVFNJVSFGP-ZWNOBZJWSA-N 1 1 253.317 2.124 20 10 CECDMO Cc1ccc(C)c(C[N@@H+]2CCc3c(cnn3C)C2)c1O ZINC001140184077 816205761 /nfs/dbraw/zinc/20/57/61/816205761.db2.gz LYKJTKYFMGEUAU-UHFFFAOYSA-N 1 1 271.364 2.301 20 10 CECDMO COC(=O)CC[N@@H+](C)Cc1c(O)cccc1Cl ZINC001140342212 816238495 /nfs/dbraw/zinc/23/84/95/816238495.db2.gz YCXJGRNOEGMSGY-UHFFFAOYSA-N 1 1 257.717 2.041 20 10 CECDMO CN(C)c1ccc(C[N@@H+](C)Cc2ccncn2)cc1 ZINC001140351569 816244491 /nfs/dbraw/zinc/24/44/91/816244491.db2.gz ZJGOQLKWSGRRBG-UHFFFAOYSA-N 1 1 256.353 2.175 20 10 CECDMO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2O)CC12CC2 ZINC001140468387 816261608 /nfs/dbraw/zinc/26/16/08/816261608.db2.gz IURCNAKHBPTCRU-LBPRGKRZSA-N 1 1 295.766 2.431 20 10 CECDMO CCOC(=O)[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140466612 816261643 /nfs/dbraw/zinc/26/16/43/816261643.db2.gz IACDGJVADHJKEJ-LLVKDONJSA-N 1 1 283.755 2.431 20 10 CECDMO COC(=O)[C@@]1(C)CC[N@@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140468448 816263096 /nfs/dbraw/zinc/26/30/96/816263096.db2.gz LIWXQYGQVRWHKJ-AWEZNQCLSA-N 1 1 283.755 2.431 20 10 CECDMO Cc1cc(F)cc(C[N@@H+]2CC[C@@](N)(C(F)(F)F)C2)c1O ZINC001206251467 816276219 /nfs/dbraw/zinc/27/62/19/816276219.db2.gz QJWOUDSMJIYLQJ-LBPRGKRZSA-N 1 1 292.276 2.305 20 10 CECDMO Cc1cc(F)cc(C[N@H+]2CC[C@@](N)(C(F)(F)F)C2)c1O ZINC001206251467 816276226 /nfs/dbraw/zinc/27/62/26/816276226.db2.gz QJWOUDSMJIYLQJ-LBPRGKRZSA-N 1 1 292.276 2.305 20 10 CECDMO CCN(CC)CC[N@H+](C)Cc1cc(C)ccc1O ZINC001140617310 816304945 /nfs/dbraw/zinc/30/49/45/816304945.db2.gz MKNHOXHCUFSRJX-UHFFFAOYSA-N 1 1 250.386 2.474 20 10 CECDMO CCN(CC)CC[N@@H+](C)Cc1cc(C)ccc1O ZINC001140617310 816304953 /nfs/dbraw/zinc/30/49/53/816304953.db2.gz MKNHOXHCUFSRJX-UHFFFAOYSA-N 1 1 250.386 2.474 20 10 CECDMO Fc1cc(N2CCOCC2)ccc1C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC001140660582 816315123 /nfs/dbraw/zinc/31/51/23/816315123.db2.gz WYSHRIGENMTSHO-OKILXGFUSA-N 1 1 276.355 2.114 20 10 CECDMO CO[C@H]1CCC[N@@H+](Cc2ccc(O)c(C)c2O)C1 ZINC001140742372 816339332 /nfs/dbraw/zinc/33/93/32/816339332.db2.gz LWYPUYDJGJWYQE-LBPRGKRZSA-N 1 1 251.326 2.017 20 10 CECDMO Cc1c(O)ccc(C[N@H+]2CCC[C@](C)(O)[C@H](C)C2)c1O ZINC001140744474 816339571 /nfs/dbraw/zinc/33/95/71/816339571.db2.gz YNZLMOYFXSASGD-BZNIZROVSA-N 1 1 279.380 2.389 20 10 CECDMO Cc1c(O)ccc(C[N@@H+](C)C[C@H]2CCCCO2)c1O ZINC001140745290 816342130 /nfs/dbraw/zinc/34/21/30/816342130.db2.gz DDCIITROXUVSOT-CYBMUJFWSA-N 1 1 265.353 2.407 20 10 CECDMO CCN(CC)c1ccc(C[N@@H+](CC)C2COC2)c(O)c1 ZINC001140856334 816382779 /nfs/dbraw/zinc/38/27/79/816382779.db2.gz XYEARUJSKGDCHM-UHFFFAOYSA-N 1 1 278.396 2.459 20 10 CECDMO CCN(CC)c1ccc(C[N@H+]2CCOC[C@H]2C)c(O)c1 ZINC001140850699 816383542 /nfs/dbraw/zinc/38/35/42/816383542.db2.gz RGMIVTOTLANXBN-CYBMUJFWSA-N 1 1 278.396 2.459 20 10 CECDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@H](O)[C@@H](F)C2)c(O)c1 ZINC001140850999 816383579 /nfs/dbraw/zinc/38/35/79/816383579.db2.gz XVYZZHCMUUPWTE-LSDHHAIUSA-N 1 1 296.386 2.143 20 10 CECDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@H]2COC)c(O)c1 ZINC001140856438 816383850 /nfs/dbraw/zinc/38/38/50/816383850.db2.gz KDMRLKJWMFYJGB-OAHLLOKOSA-N 1 1 278.396 2.459 20 10 CECDMO COc1cc(O)c(C[N@@H+](CCCO)C(C)C)c(OC)c1 ZINC001141028122 816449554 /nfs/dbraw/zinc/44/95/54/816449554.db2.gz BYHWCGBHYSWKBK-UHFFFAOYSA-N 1 1 283.368 2.002 20 10 CECDMO COc1cc(O)c(C[N@@H+]2CCO[C@@H](C(C)C)C2)c(OC)c1 ZINC001141031114 816451456 /nfs/dbraw/zinc/45/14/56/816451456.db2.gz XSIKUFCEWYJZOJ-MRXNPFEDSA-N 1 1 295.379 2.266 20 10 CECDMO COc1cc(O)c(C[N@H+]2CCO[C@@H](C(C)C)C2)c(OC)c1 ZINC001141031114 816451459 /nfs/dbraw/zinc/45/14/59/816451459.db2.gz XSIKUFCEWYJZOJ-MRXNPFEDSA-N 1 1 295.379 2.266 20 10 CECDMO COc1cc(O)c(C[N@@H+]2CC[C@H](OC)C[C@@H]2C)c(OC)c1 ZINC001141032398 816453140 /nfs/dbraw/zinc/45/31/40/816453140.db2.gz ANCNBGSBOKHKMZ-RYUDHWBXSA-N 1 1 295.379 2.409 20 10 CECDMO C[C@@H]1C[C@H](O)C[N@H+]1Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141074736 816470816 /nfs/dbraw/zinc/47/08/16/816470816.db2.gz SHHVYMYHLYPWIX-DYVFJYSZSA-N 1 1 286.419 2.341 20 10 CECDMO Oc1ccc(O)c(C[N@H+]2CCC[C@H]2c2cnccn2)c1 ZINC001141159225 816489843 /nfs/dbraw/zinc/48/98/43/816489843.db2.gz COUNXDCXQMSVRV-AWEZNQCLSA-N 1 1 271.320 2.225 20 10 CECDMO Cc1cnc2c(c1)C[N@@H+](Cc1cc(O)ccc1O)CC2 ZINC001141162627 816491350 /nfs/dbraw/zinc/49/13/50/816491350.db2.gz XXRAUBCONSFXNQ-UHFFFAOYSA-N 1 1 270.332 2.360 20 10 CECDMO Cc1cnc2c(c1)C[N@H+](Cc1cc(O)ccc1O)CC2 ZINC001141162627 816491355 /nfs/dbraw/zinc/49/13/55/816491355.db2.gz XXRAUBCONSFXNQ-UHFFFAOYSA-N 1 1 270.332 2.360 20 10 CECDMO CCOC(=O)C[N@H+](Cc1cc(O)ccc1O)C1CCCC1 ZINC001141162292 816492425 /nfs/dbraw/zinc/49/24/25/816492425.db2.gz OCQZDZUQJULXAA-UHFFFAOYSA-N 1 1 293.363 2.406 20 10 CECDMO CCOC(=O)C[N@@H+](Cc1cc(O)ccc1O)C1CCCC1 ZINC001141162292 816492426 /nfs/dbraw/zinc/49/24/26/816492426.db2.gz OCQZDZUQJULXAA-UHFFFAOYSA-N 1 1 293.363 2.406 20 10 CECDMO C[C@@H]1C[N@@H+](Cc2cc(F)c(F)cc2[O-])CCCO1 ZINC001142508830 816676903 /nfs/dbraw/zinc/67/69/03/816676903.db2.gz NCFCVVATAHHWAZ-SECBINFHSA-N 1 1 257.280 2.281 20 10 CECDMO C[C@@H]1C[N@@H+](Cc2cc(F)c(F)cc2O)CCCO1 ZINC001142508830 816676909 /nfs/dbraw/zinc/67/69/09/816676909.db2.gz NCFCVVATAHHWAZ-SECBINFHSA-N 1 1 257.280 2.281 20 10 CECDMO CN(C)c1ccc(CNCc2n[nH]c(C3CC3)n2)cc1 ZINC000294803749 539381812 /nfs/dbraw/zinc/38/18/12/539381812.db2.gz NCNBWJJCWLGSQP-UHFFFAOYSA-N 1 1 271.368 2.038 20 10 CECDMO CN(C)c1ccc(C[NH2+]Cc2nnc(C3CC3)[nH]2)cc1 ZINC000294803749 539381817 /nfs/dbraw/zinc/38/18/17/539381817.db2.gz NCNBWJJCWLGSQP-UHFFFAOYSA-N 1 1 271.368 2.038 20 10 CECDMO C[C@@H](O)[C@@H]1CCCC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000092971142 344208809 /nfs/dbraw/zinc/20/88/09/344208809.db2.gz QXEVBMPBHNAJEH-CJNGLKHVSA-N 1 1 262.397 2.488 20 10 CECDMO COc1cccc(C[N@H+]2CCC[C@H]2C[C@@H](C)O)c1O ZINC000093482922 344225402 /nfs/dbraw/zinc/22/54/02/344225402.db2.gz NTZMHZATWDNPCR-YPMHNXCESA-N 1 1 265.353 2.136 20 10 CECDMO CCN(CC)c1ccc(C[N@H+]2CC[C@H](CO)C2)cc1 ZINC000092764802 344203106 /nfs/dbraw/zinc/20/31/06/344203106.db2.gz UQOBDTLNNCKDOU-HNNXBMFYSA-N 1 1 262.397 2.347 20 10 CECDMO CCOc1cccc(C[N@H+]2CCCO[C@@H](C)C2)c1O ZINC000134159215 366292862 /nfs/dbraw/zinc/29/28/62/366292862.db2.gz FLNNXAHQNAQPFG-LBPRGKRZSA-N 1 1 265.353 2.402 20 10 CECDMO COc1cccc(CN2CC[N@H+]3CCCC[C@@H]3C2)c1O ZINC000156080227 366827431 /nfs/dbraw/zinc/82/74/31/366827431.db2.gz IQDIUBDCUUDTQD-CQSZACIVSA-N 1 1 276.380 2.071 20 10 CECDMO COc1cccc(C[N@@H+]2CCN3CCCC[C@@H]3C2)c1O ZINC000156080227 366827434 /nfs/dbraw/zinc/82/74/34/366827434.db2.gz IQDIUBDCUUDTQD-CQSZACIVSA-N 1 1 276.380 2.071 20 10 CECDMO COc1cccc(C[N@H+]2CCN3CCCC[C@@H]3C2)c1O ZINC000156080227 366827441 /nfs/dbraw/zinc/82/74/41/366827441.db2.gz IQDIUBDCUUDTQD-CQSZACIVSA-N 1 1 276.380 2.071 20 10 CECDMO CN(C)c1ccc(C[N@@H+]2CC[C@@H](N3CCCC3)C2)cc1 ZINC000092756122 364104539 /nfs/dbraw/zinc/10/45/39/364104539.db2.gz HKWRQUBAWSLPHN-QGZVFWFLSA-N 1 1 273.424 2.423 20 10 CECDMO CN(C)c1ccc(C[N@H+]2CC[C@@H](N3CCCC3)C2)cc1 ZINC000092756122 364104541 /nfs/dbraw/zinc/10/45/41/364104541.db2.gz HKWRQUBAWSLPHN-QGZVFWFLSA-N 1 1 273.424 2.423 20 10 CECDMO Oc1ccc(F)cc1C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000180196730 368371982 /nfs/dbraw/zinc/37/19/82/368371982.db2.gz QDRIIKIVABFROW-CYBMUJFWSA-N 1 1 251.301 2.142 20 10 CECDMO Oc1ccc(F)cc1C[N@H+]1CCOC[C@@H]1C1CC1 ZINC000180196730 368371983 /nfs/dbraw/zinc/37/19/83/368371983.db2.gz QDRIIKIVABFROW-CYBMUJFWSA-N 1 1 251.301 2.142 20 10 CECDMO COC(=O)[C@@H]1CCCN1Cc1cccc(Cl)c1O ZINC000179661135 368346803 /nfs/dbraw/zinc/34/68/03/368346803.db2.gz BSPYDBYYVPSOMT-NSHDSACASA-N 1 1 269.728 2.183 20 10 CECDMO CCOc1cccc(C[N@H+]2CCC[C@@H]2CC(=O)OC)c1O ZINC000179891222 368357342 /nfs/dbraw/zinc/35/73/42/368357342.db2.gz SMQGFBAAOGQFCL-CYBMUJFWSA-N 1 1 293.363 2.318 20 10 CECDMO Oc1ccc(F)cc1C[N@@H+]1[C@@H]2CC[C@H]1CC(O)C2 ZINC000179913641 368358762 /nfs/dbraw/zinc/35/87/62/368358762.db2.gz YMNAKDYKHODXNX-FUNVUKJBSA-N 1 1 251.301 2.019 20 10 CECDMO COC(=O)C[N@H+](Cc1cc(OC)ccc1O)C1CCCC1 ZINC000180498906 368384932 /nfs/dbraw/zinc/38/49/32/368384932.db2.gz IAVLURFHPSDAFP-UHFFFAOYSA-N 1 1 293.363 2.318 20 10 CECDMO COC(=O)C[N@@H+](Cc1cc(OC)ccc1O)C1CCCC1 ZINC000180498906 368384938 /nfs/dbraw/zinc/38/49/38/368384938.db2.gz IAVLURFHPSDAFP-UHFFFAOYSA-N 1 1 293.363 2.318 20 10 CECDMO Cc1ccc(O)c(C[N@H+]2CCS[C@@H]3COCC[C@H]32)c1 ZINC000246477615 370966775 /nfs/dbraw/zinc/96/67/75/370966775.db2.gz OSMDVLATOFAECT-UKRRQHHQSA-N 1 1 279.405 2.407 20 10 CECDMO CO[C@H]1C[C@H](c2nc(C)no2)[N@H+](Cc2ccccc2O)C1 ZINC000190144592 369599733 /nfs/dbraw/zinc/59/97/33/369599733.db2.gz GNUMFMBTXTXXMK-QWHCGFSZSA-N 1 1 289.335 2.046 20 10 CECDMO CO[C@H]1C[C@H](c2nc(C)no2)[N@@H+](Cc2ccccc2O)C1 ZINC000190144592 369599739 /nfs/dbraw/zinc/59/97/39/369599739.db2.gz GNUMFMBTXTXXMK-QWHCGFSZSA-N 1 1 289.335 2.046 20 10 CECDMO Oc1cc2c(cc1C[N@H+]1CC[C@H]3OCCC[C@H]3C1)OCO2 ZINC000247052913 371056519 /nfs/dbraw/zinc/05/65/19/371056519.db2.gz UIPHSDPSGPAAGP-SMDDNHRTSA-N 1 1 291.347 2.122 20 10 CECDMO Cc1cccc(C[NH+]2CCN([C@H]3CCSC3)CC2)c1O ZINC000362046136 372185808 /nfs/dbraw/zinc/18/58/08/372185808.db2.gz NEWIIFQORUAVPF-HNNXBMFYSA-N 1 1 292.448 2.324 20 10 CECDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)CC(C)(C)O ZINC000269540440 372483525 /nfs/dbraw/zinc/48/35/25/372483525.db2.gz VCBAVPCZNFLXAQ-UHFFFAOYSA-N 1 1 250.386 2.345 20 10 CECDMO CC[N@@H+](CCO)Cc1ccc(N2CCCCC2)cc1 ZINC000271020379 373069085 /nfs/dbraw/zinc/06/90/85/373069085.db2.gz TVTBEPILKUQRSR-UHFFFAOYSA-N 1 1 262.397 2.491 20 10 CECDMO NC(=O)C[C@H]1CCC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000271189918 373170982 /nfs/dbraw/zinc/17/09/82/373170982.db2.gz PHXCAFRXPKTTSQ-SNVBAGLBSA-N 1 1 282.771 2.133 20 10 CECDMO Oc1ccccc1C[N@@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000271261153 373184856 /nfs/dbraw/zinc/18/48/56/373184856.db2.gz IPYIJNQLLIDNJM-JQWIXIFHSA-N 1 1 275.270 2.280 20 10 CECDMO CCOC(=O)C1CC[NH+](Cc2cccc(F)c2O)CC1 ZINC000272333738 373434876 /nfs/dbraw/zinc/43/48/76/373434876.db2.gz 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BDJLBIDVNGOEJK-AWEZNQCLSA-N 1 1 279.403 2.276 20 10 CECDMO COc1ccc(O)c(C[NH2+]Cc2nn(C)c(C)c2Cl)c1 ZINC000817407326 633648606 /nfs/dbraw/zinc/64/86/06/633648606.db2.gz JTTZYEPSZDDRQP-UHFFFAOYSA-N 1 1 295.770 2.386 20 10 CECDMO C[C@H]1CCNC[C@@H]1[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000817900432 633760852 /nfs/dbraw/zinc/76/08/52/633760852.db2.gz MTNMALYYXADGKL-BBRMVZONSA-N 1 1 273.424 2.157 20 10 CECDMO C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1cc(F)ccc1[O-] ZINC000817946001 633792047 /nfs/dbraw/zinc/79/20/47/633792047.db2.gz PNWUHPNYMLVSKK-GHMZBOCLSA-N 1 1 252.333 2.182 20 10 CECDMO COc1ccc(O)c([C@H](C)NC[C@H]([NH3+])C(C)C)c1 ZINC000817959722 633801084 /nfs/dbraw/zinc/80/10/84/633801084.db2.gz URKCHXMUPHBMEH-GWCFXTLKSA-N 1 1 252.358 2.035 20 10 CECDMO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](N)C(C)C)c1 ZINC000817959722 633801091 /nfs/dbraw/zinc/80/10/91/633801091.db2.gz URKCHXMUPHBMEH-GWCFXTLKSA-N 1 1 252.358 2.035 20 10 CECDMO CCn1nc(C)c(C[NH2+][C@@H](C)c2cc(F)ccc2O)n1 ZINC000818345021 633913938 /nfs/dbraw/zinc/91/39/38/633913938.db2.gz IEZJLFQQLLQRGT-VIFPVBQESA-N 1 1 278.331 2.302 20 10 CECDMO Cc1cccc(C[N@H+]2CCC[C@H](n3ccnn3)C2)c1O ZINC000822504599 634932549 /nfs/dbraw/zinc/93/25/49/634932549.db2.gz WXSFTSIANICLDJ-AWEZNQCLSA-N 1 1 272.352 2.129 20 10 CECDMO CC[C@H]1[C@@H](CO)CC[N@H+]1Cc1cc(OC)c(OC)cc1O ZINC000824636290 635467388 /nfs/dbraw/zinc/46/73/88/635467388.db2.gz OGLQUGDAQQTOSJ-YPMHNXCESA-N 1 1 295.379 2.002 20 10 CECDMO CN(C)c1ccc(C[N@H+]2CC[C@](O)(C(F)F)C2)cc1F ZINC000824726394 635485350 /nfs/dbraw/zinc/48/53/50/635485350.db2.gz LIMDSQJJNVSGTN-CQSZACIVSA-N 1 1 288.313 2.094 20 10 CECDMO CCc1nc(C[NH2+]Cc2cc(OC)ccc2O)co1 ZINC000825058226 635554431 /nfs/dbraw/zinc/55/44/31/635554431.db2.gz UXLGWEFPGSYSDB-UHFFFAOYSA-N 1 1 262.309 2.241 20 10 CECDMO C[C@H]1C[C@H](NCc2ccc3c(c2)CCCO3)CC[NH2+]1 ZINC000904356312 635587650 /nfs/dbraw/zinc/58/76/50/635587650.db2.gz VPVSDZWSUMAVKI-SWLSCSKDSA-N 1 1 260.381 2.242 20 10 CECDMO CN1C[C@@H]2C[N@@H+](Cc3c(O)ccc4ccncc43)C[C@]2(C)C1 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COC(=O)C[C@@H]1CCC[N@H+]1Cc1cc(F)c(F)cc1O ZINC001142526920 816680199 /nfs/dbraw/zinc/68/01/99/816680199.db2.gz BTCXKCADPCKEKM-JTQLQIEISA-N 1 1 285.290 2.198 20 10 CECDMO CC(C)(C)c1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1O ZINC001143102044 816785113 /nfs/dbraw/zinc/78/51/13/816785113.db2.gz VMPIDAJXESISQR-CYBMUJFWSA-N 1 1 290.407 2.387 20 10 CECDMO C[N@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H]1CCCO1 ZINC000161794574 344465288 /nfs/dbraw/zinc/46/52/88/344465288.db2.gz JKVJEIUXEGUAFE-KRWDZBQOSA-N 1 1 290.407 2.134 20 10 CECDMO Cc1ccc(O)c(C[N@H+]2CCN3CCCC[C@@H]3C2)c1 ZINC000156078931 366827651 /nfs/dbraw/zinc/82/76/51/366827651.db2.gz MLKJRYSOQBIJQZ-OAHLLOKOSA-N 1 1 260.381 2.371 20 10 CECDMO Cc1ccc(O)c(CN2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000156078931 366827652 /nfs/dbraw/zinc/82/76/52/366827652.db2.gz MLKJRYSOQBIJQZ-OAHLLOKOSA-N 1 1 260.381 2.371 20 10 CECDMO Cc1ccc(O)c(CN2CC[N@H+]3CCCC[C@@H]3C2)c1 ZINC000156078931 366827654 /nfs/dbraw/zinc/82/76/54/366827654.db2.gz MLKJRYSOQBIJQZ-OAHLLOKOSA-N 1 1 260.381 2.371 20 10 CECDMO Cc1ccc(O)c(C[N@@H+]2Cc3ccccc3C[C@H]2C(N)=O)c1 ZINC000119842081 365332747 /nfs/dbraw/zinc/33/27/47/365332747.db2.gz SSHSFXNWUGOUPZ-INIZCTEOSA-N 1 1 296.370 2.113 20 10 CECDMO Cc1ccc(O)c(C[N@H+]2Cc3ccccc3C[C@H]2C(N)=O)c1 ZINC000119842081 365332749 /nfs/dbraw/zinc/33/27/49/365332749.db2.gz SSHSFXNWUGOUPZ-INIZCTEOSA-N 1 1 296.370 2.113 20 10 CECDMO CCC[N@@H+](CC(=O)NC)Cc1cc(Cl)cc(C)c1O ZINC000179827443 368353596 /nfs/dbraw/zinc/35/35/96/368353596.db2.gz QTEZNZWKKYTQBY-UHFFFAOYSA-N 1 1 284.787 2.312 20 10 CECDMO COc1ccc(O)c(C[N@H+]2CCSC[C@H]2C)c1 ZINC000180246481 368375248 /nfs/dbraw/zinc/37/52/48/368375248.db2.gz CFUVVPDGOMTVAM-SNVBAGLBSA-N 1 1 253.367 2.338 20 10 CECDMO COc1cc(O)c(C[N@@H+]2CCOC[C@@H]2C2CC2)cc1OC ZINC000180426108 368381957 /nfs/dbraw/zinc/38/19/57/368381957.db2.gz GLEREGQWIDJGBU-CYBMUJFWSA-N 1 1 293.363 2.020 20 10 CECDMO COc1cc(O)c(C[N@H+]2CCOC[C@@H]2C2CC2)cc1OC ZINC000180426108 368381961 /nfs/dbraw/zinc/38/19/61/368381961.db2.gz GLEREGQWIDJGBU-CYBMUJFWSA-N 1 1 293.363 2.020 20 10 CECDMO C[C@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1ccc(F)cc1O ZINC000185829950 368869571 /nfs/dbraw/zinc/86/95/71/368869571.db2.gz JASXQDDCRXLFHX-JBLDHEPKSA-N 1 1 251.301 2.119 20 10 CECDMO COC(=O)[C@H]1CC[N@@H+](Cc2cccc(OC)c2O)C[C@H]1C ZINC000188121855 369301177 /nfs/dbraw/zinc/30/11/77/369301177.db2.gz MZRWIYFWOFVVNW-YPMHNXCESA-N 1 1 293.363 2.032 20 10 CECDMO C[C@@H]([NH2+]CCOCC(F)F)c1ccc(F)cc1O ZINC000188768440 369407029 /nfs/dbraw/zinc/40/70/29/369407029.db2.gz CTWMANAJBQWCLF-MRVPVSSYSA-N 1 1 263.259 2.464 20 10 CECDMO CCOc1cccc(C[N@@H+]2CCC[C@@]23CCOC3=O)c1O ZINC000190036020 369591667 /nfs/dbraw/zinc/59/16/67/369591667.db2.gz HERLXAGSFWHWAC-INIZCTEOSA-N 1 1 291.347 2.072 20 10 CECDMO CCOc1cccc(C[N@H+]2CCC[C@@]23CCOC3=O)c1O ZINC000190036020 369591668 /nfs/dbraw/zinc/59/16/68/369591668.db2.gz HERLXAGSFWHWAC-INIZCTEOSA-N 1 1 291.347 2.072 20 10 CECDMO COc1ccc(N(C)CC[NH+]2CCOCC2)cc1Cl ZINC000268173448 372089587 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CCOc1ccc(O)c(C[N@H+]2CC[C@H]3CCN(C)C[C@@H]32)c1 ZINC000272609191 373580892 /nfs/dbraw/zinc/58/08/92/373580892.db2.gz KDYYAKKCWJXRPJ-CJNGLKHVSA-N 1 1 290.407 2.317 20 10 CECDMO CCOc1ccc(O)c(CN2CC[C@H]3CC[N@H+](C)C[C@@H]32)c1 ZINC000272609191 373580895 /nfs/dbraw/zinc/58/08/95/373580895.db2.gz KDYYAKKCWJXRPJ-CJNGLKHVSA-N 1 1 290.407 2.317 20 10 CECDMO CCOc1ccc(O)c(CN2CC[C@H]3CC[N@@H+](C)C[C@@H]32)c1 ZINC000272609191 373580899 /nfs/dbraw/zinc/58/08/99/373580899.db2.gz KDYYAKKCWJXRPJ-CJNGLKHVSA-N 1 1 290.407 2.317 20 10 CECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCCOC2)c1 ZINC000273412862 373754969 /nfs/dbraw/zinc/75/49/69/373754969.db2.gz QEVIAIVYXAHOBR-NEPJUHHUSA-N 1 1 293.363 2.256 20 10 CECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCCCO2)c1 ZINC000273422120 373757474 /nfs/dbraw/zinc/75/74/74/373757474.db2.gz SLVCIJVRSVKYPT-YPMHNXCESA-N 1 1 293.363 2.399 20 10 CECDMO CC[C@@H](COC)[NH2+][C@H](C)c1cc(C(=O)OC)ccc1O ZINC000273553349 373765369 /nfs/dbraw/zinc/76/53/69/373765369.db2.gz GJGVLHOXIAFZAH-PWSUYJOCSA-N 1 1 281.352 2.254 20 10 CECDMO C[C@H]([NH2+]CC1(C(N)=O)CCCC1)c1ccc(F)cc1O ZINC000273607405 373768904 /nfs/dbraw/zinc/76/89/04/373768904.db2.gz UQHMDLWHUWDKNM-JTQLQIEISA-N 1 1 280.343 2.228 20 10 CECDMO CN(C)c1ccc(CN2CC[C@H]3CC[N@@H+](C)[C@@H]3C2)cc1 ZINC000371489301 373900937 /nfs/dbraw/zinc/90/09/37/373900937.db2.gz OGRCSAHKSDTKAO-NVXWUHKLSA-N 1 1 273.424 2.279 20 10 CECDMO CN(C)c1ccc(C[N@@H+]2CC[C@H]3CCN(C)[C@@H]3C2)cc1 ZINC000371489301 373900945 /nfs/dbraw/zinc/90/09/45/373900945.db2.gz OGRCSAHKSDTKAO-NVXWUHKLSA-N 1 1 273.424 2.279 20 10 CECDMO CN(C)c1ccc(C[N@H+]2CC[C@H]3CCN(C)[C@@H]3C2)cc1 ZINC000371489301 373900952 /nfs/dbraw/zinc/90/09/52/373900952.db2.gz OGRCSAHKSDTKAO-NVXWUHKLSA-N 1 1 273.424 2.279 20 10 CECDMO O=C1C[C@@H]([C@@H]2CCCC[N@@H+]2Cc2cc(F)ccc2O)CN1 ZINC000374890910 374635138 /nfs/dbraw/zinc/63/51/38/374635138.db2.gz FFRGXWZCBJFGMW-RISCZKNCSA-N 1 1 292.354 2.022 20 10 CECDMO CC[C@@H]1C[N@@H+](Cc2cc(OC)c(OC)cc2O)CCCO1 ZINC000281276183 375369223 /nfs/dbraw/zinc/36/92/23/375369223.db2.gz OCAFCQFGHSVBNS-CYBMUJFWSA-N 1 1 295.379 2.410 20 10 CECDMO CCCC[N@@H+](CCN1CCOCC1)Cc1ccccc1O ZINC000282548911 375515247 /nfs/dbraw/zinc/51/52/47/375515247.db2.gz WWMOBZZFYRQCJC-UHFFFAOYSA-N 1 1 292.423 2.327 20 10 CECDMO Cc1nc(CC[NH2+][C@@H](C)c2c(C)cc(C)cc2O)n[nH]1 ZINC000285318670 375838734 /nfs/dbraw/zinc/83/87/34/375838734.db2.gz SWYKZULYURUOFL-NSHDSACASA-N 1 1 274.368 2.329 20 10 CECDMO Cc1nnc(CC[NH2+][C@@H](C)c2c(C)cc(C)cc2O)[nH]1 ZINC000285318670 375838740 /nfs/dbraw/zinc/83/87/40/375838740.db2.gz SWYKZULYURUOFL-NSHDSACASA-N 1 1 274.368 2.329 20 10 CECDMO CC[C@H]([NH2+][C@@H]1CCCCNC1=O)c1ccc(F)cc1O ZINC000285489988 375840638 /nfs/dbraw/zinc/84/06/38/375840638.db2.gz CBGIPHRMMODYDU-QWHCGFSZSA-N 1 1 280.343 2.241 20 10 CECDMO Cc1cc(C[N@@H+]2CCOC[C@]23CCOC3)ccc1N(C)C ZINC000294278093 377964076 /nfs/dbraw/zinc/96/40/76/377964076.db2.gz VWMSAEXNBVJQFF-QGZVFWFLSA-N 1 1 290.407 2.052 20 10 CECDMO Cc1cc(C[N@H+]2CCOC[C@]23CCOC3)ccc1N(C)C ZINC000294278093 377964081 /nfs/dbraw/zinc/96/40/81/377964081.db2.gz VWMSAEXNBVJQFF-QGZVFWFLSA-N 1 1 290.407 2.052 20 10 CECDMO Cc1cc(C[N@H+](C)[C@@H](C)C[S@@](C)=O)ccc1N(C)C ZINC000294751506 378017318 /nfs/dbraw/zinc/01/73/18/378017318.db2.gz XRDAQTIXPXUOCJ-ORAYPTAESA-N 1 1 282.453 2.260 20 10 CECDMO Oc1cc(F)c(Cl)cc1C[NH2+]C[C@@H]1CCOC1 ZINC000294480391 377990385 /nfs/dbraw/zinc/99/03/85/377990385.db2.gz ZYCAOZMLUNOCOW-QMMMGPOBSA-N 1 1 259.708 2.311 20 10 CECDMO C[C@@H]1C[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C[C@H]1CO ZINC000294526151 377995189 /nfs/dbraw/zinc/99/51/89/377995189.db2.gz CXNLMKFWZJFXPW-SCZZXKLOSA-N 1 1 273.735 2.245 20 10 CECDMO C[C@@H]1C[N@@H+](Cc2cc(Cl)c(F)cc2O)C[C@H]1CO ZINC000294526151 377995195 /nfs/dbraw/zinc/99/51/95/377995195.db2.gz CXNLMKFWZJFXPW-SCZZXKLOSA-N 1 1 273.735 2.245 20 10 CECDMO CC[C@H]([NH2+][C@H](C)c1cc(C(=O)OC)ccc1O)C(C)(C)O ZINC000294982615 378032774 /nfs/dbraw/zinc/03/27/74/378032774.db2.gz 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LEKCCCYIEBEQOH-CYBMUJFWSA-N 1 1 273.735 2.260 20 10 CECDMO CC(C)NC(=O)[C@@H](C)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000840974602 639606039 /nfs/dbraw/zinc/60/60/39/639606039.db2.gz LTZZOUNMOROADN-MRVPVSSYSA-N 1 1 288.750 2.187 20 10 CECDMO CCOCc1cc(CN[C@H]2CC[NH2+][C@H](C)C2)ccc1OC ZINC000841062079 639638458 /nfs/dbraw/zinc/63/84/58/639638458.db2.gz SKESUYVWEXOPMS-CJNGLKHVSA-N 1 1 292.423 2.462 20 10 CECDMO CC1([NH2+]Cc2cc(Cl)ccc2[O-])CC[NH2+]CC1 ZINC000841064816 639640820 /nfs/dbraw/zinc/64/08/20/639640820.db2.gz KUAWYMWXPPDOOF-UHFFFAOYSA-N 1 1 254.761 2.277 20 10 CECDMO CCOc1ccc(O)c(CNCCC[NH2+]C2CC2)c1 ZINC000841091996 639654628 /nfs/dbraw/zinc/65/46/28/639654628.db2.gz JDENZNDUTHLZLA-UHFFFAOYSA-N 1 1 264.369 2.023 20 10 CECDMO C[C@H]([NH2+]Cc1cccc(C(N)=O)c1)c1ccc(F)cc1O ZINC000062745978 639781295 /nfs/dbraw/zinc/78/12/95/639781295.db2.gz WAPQSGSNNDLIJG-JTQLQIEISA-N 1 1 288.322 2.481 20 10 CECDMO CNC(=O)CCC[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841747845 639857136 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ZINC000843047789 640253009 /nfs/dbraw/zinc/25/30/09/640253009.db2.gz VGTMKOIJZZQGSI-SNVBAGLBSA-N 1 1 254.761 2.216 20 10 CECDMO CCOc1ccc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CN)c(O)c1 ZINC000843051954 640254705 /nfs/dbraw/zinc/25/47/05/640254705.db2.gz NDEPWYXZZKBUHU-DOMZBBRYSA-N 1 1 278.396 2.350 20 10 CECDMO CCOc1ccc(C[N@H+]2CCC[C@@H](C)[C@@H]2CN)c(O)c1 ZINC000843051954 640254709 /nfs/dbraw/zinc/25/47/09/640254709.db2.gz NDEPWYXZZKBUHU-DOMZBBRYSA-N 1 1 278.396 2.350 20 10 CECDMO C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])CC[C@H]1[NH3+] ZINC000843052025 640255108 /nfs/dbraw/zinc/25/51/08/640255108.db2.gz OROTUMJYBITVGJ-BXKDBHETSA-N 1 1 254.761 2.215 20 10 CECDMO C[C@@H]([NH3+])[C@H]1CCCN(Cc2ccc(N(C)C)c(F)c2)C1 ZINC000843052447 640256211 /nfs/dbraw/zinc/25/62/11/640256211.db2.gz UEPDNEDXDGHJQW-OCCSQVGLSA-N 1 1 279.403 2.451 20 10 CECDMO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2Cc1cc(F)ccc1O ZINC000843054232 640257229 /nfs/dbraw/zinc/25/72/29/640257229.db2.gz STGXWVKEGUCXIY-AGUYFDCRSA-N 1 1 264.344 2.376 20 10 CECDMO CC1(C)C[NH2+]CCN1Cc1cc(Cl)cc(F)c1O ZINC000843054566 640257368 /nfs/dbraw/zinc/25/73/68/640257368.db2.gz TYYIMLVERNWGRN-UHFFFAOYSA-N 1 1 272.751 2.369 20 10 CECDMO C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cccc(Br)c1[O-] ZINC000843057874 640259695 /nfs/dbraw/zinc/25/96/95/640259695.db2.gz NFFQESDXLDGPEL-VHSXEESVSA-N 1 1 299.212 2.324 20 10 CECDMO C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000843058522 640261093 /nfs/dbraw/zinc/26/10/93/640261093.db2.gz VBMSODVKMFUOCS-VHSXEESVSA-N 1 1 254.761 2.215 20 10 CECDMO CC1([NH3+])CCN(Cc2c(O)ccc(Cl)c2F)CC1 ZINC000843107858 640284044 /nfs/dbraw/zinc/28/40/44/640284044.db2.gz PPLYDGOZOWDQLU-UHFFFAOYSA-N 1 1 272.751 2.498 20 10 CECDMO C[C@@H]1CN(Cc2cccc(Cl)c2O)[C@H](C)C[NH2+]1 ZINC000843119871 640288552 /nfs/dbraw/zinc/28/85/52/640288552.db2.gz JGECMKXRZFMLDL-NXEZZACHSA-N 1 1 254.761 2.228 20 10 CECDMO Oc1c(F)cc(Cl)cc1CN1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000843127091 640293572 /nfs/dbraw/zinc/29/35/72/640293572.db2.gz OKBQKYXXIDNHAB-RNCFNFMXSA-N 1 1 284.762 2.369 20 10 CECDMO CCC[N@H+](C)Cc1nc(Cc2ccc(N)cc2)no1 ZINC000843160774 640316303 /nfs/dbraw/zinc/31/63/03/640316303.db2.gz ICUVLTNEQCVFGS-UHFFFAOYSA-N 1 1 260.341 2.084 20 10 CECDMO CCC[N@@H+](C)Cc1nc(Cc2ccc(N)cc2)no1 ZINC000843160774 640316309 /nfs/dbraw/zinc/31/63/09/640316309.db2.gz ICUVLTNEQCVFGS-UHFFFAOYSA-N 1 1 260.341 2.084 20 10 CECDMO COc1ccc(O)c(C[N@H+]2CCO[C@@]3(CCSC3)C2)c1 ZINC000843418029 640421782 /nfs/dbraw/zinc/42/17/82/640421782.db2.gz NTFRTGXJUYSRAF-HNNXBMFYSA-N 1 1 295.404 2.109 20 10 CECDMO CCN(CC)c1ccc(C[N@@H+](C)C[C@@H]2CCC(=O)N2)cc1 ZINC000844272100 640650256 /nfs/dbraw/zinc/65/02/56/640650256.db2.gz UBSYVTLMSOUIOD-HNNXBMFYSA-N 1 1 289.423 2.243 20 10 CECDMO COc1cccc(O)c1CNCc1ccc(C[NH3+])cc1F ZINC000844904231 640861445 /nfs/dbraw/zinc/86/14/45/640861445.db2.gz FJILQFUNAYZTCX-UHFFFAOYSA-N 1 1 290.338 2.288 20 10 CECDMO COc1cc(O)c(C[N@H+]2CCC[C@H]2C(C)(C)O)cc1OC ZINC000154419596 640892229 /nfs/dbraw/zinc/89/22/29/640892229.db2.gz 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C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2[O-])CC[C@@H]1C[NH3+] ZINC000904410449 635616490 /nfs/dbraw/zinc/61/64/90/635616490.db2.gz DPPPMWRYUCEPPE-GHMZBOCLSA-N 1 1 268.788 2.462 20 10 CECDMO C[N@@H+](CC(=O)N1Cc2cccc(O)c2C1)CC(C)(C)C ZINC000825356024 635624765 /nfs/dbraw/zinc/62/47/65/635624765.db2.gz HEAGUBTZMRASSR-UHFFFAOYSA-N 1 1 276.380 2.212 20 10 CECDMO Cc1cc(O)c(CN2CC[C@@H]3C[N@H+](C)C[C@H]32)cc1Cl ZINC000825968820 635740058 /nfs/dbraw/zinc/74/00/58/635740058.db2.gz ZFHAINPOWDPWPP-BXUZGUMPSA-N 1 1 280.799 2.490 20 10 CECDMO Cc1cc(O)c(C[N@H+]2CC[C@@H]3CN(C)C[C@H]32)cc1Cl ZINC000825968820 635740061 /nfs/dbraw/zinc/74/00/61/635740061.db2.gz ZFHAINPOWDPWPP-BXUZGUMPSA-N 1 1 280.799 2.490 20 10 CECDMO Cc1cc(O)c(C[N@@H+]2CC[C@@H]3CN(C)C[C@H]32)cc1Cl ZINC000825968820 635740062 /nfs/dbraw/zinc/74/00/62/635740062.db2.gz ZFHAINPOWDPWPP-BXUZGUMPSA-N 1 1 280.799 2.490 20 10 CECDMO CO[C@]1(CO)CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000826952801 636170567 /nfs/dbraw/zinc/17/05/67/636170567.db2.gz TTYZTMFYNDSSSK-CQSZACIVSA-N 1 1 285.771 2.019 20 10 CECDMO COc1ccc(O)c(C[N@H+]2CCC[C@@](O)(C3CC3)C2)c1 ZINC000827151933 636238047 /nfs/dbraw/zinc/23/80/47/636238047.db2.gz NJOQWTAJGKUOSJ-INIZCTEOSA-N 1 1 277.364 2.138 20 10 CECDMO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)C[C@H](C)[C@H]1O ZINC000827152368 636239764 /nfs/dbraw/zinc/23/97/64/636239764.db2.gz SRARPGWYUVENPS-ATCWAGBWSA-N 1 1 280.387 2.340 20 10 CECDMO CCc1cccc(C[N@H+]2C[C@H]3COC[C@@]3(C)C2)c1O ZINC000827283050 636279806 /nfs/dbraw/zinc/27/98/06/636279806.db2.gz OTFLNVLFVNPMRN-GOEBONIOSA-N 1 1 261.365 2.423 20 10 CECDMO C[C@H](O)CC[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000827441944 636320741 /nfs/dbraw/zinc/32/07/41/636320741.db2.gz GQLQTKRJCKEBDB-ZDUSSCGKSA-N 1 1 262.397 2.488 20 10 CECDMO Cc1cc(C[N@H+]2CC[C@](O)(C(F)F)C2)ccc1N(C)C ZINC000831181533 637247197 /nfs/dbraw/zinc/24/71/97/637247197.db2.gz OLHKVMTWBAZERE-OAHLLOKOSA-N 1 1 284.350 2.263 20 10 CECDMO Cc1cccc(O)c1C[N@@H+](C)CC(=O)NC(C)(C)C ZINC000876548390 650319702 /nfs/dbraw/zinc/31/97/02/650319702.db2.gz FLMDZVRQUBQXDG-UHFFFAOYSA-N 1 1 264.369 2.047 20 10 CECDMO CCOc1ccc(O)c(C[NH2+][C@@H](C[NH3+])C2CCCC2)c1 ZINC000841085615 637366525 /nfs/dbraw/zinc/36/65/25/637366525.db2.gz AACMKWOTOASZAK-HNNXBMFYSA-N 1 1 278.396 2.398 20 10 CECDMO CCC[N@H+](CC(=O)OCC)Cc1ccc(C)cc1O ZINC000876631882 650368038 /nfs/dbraw/zinc/36/80/38/650368038.db2.gz YFCDCZDPLZYHRV-UHFFFAOYSA-N 1 1 265.353 2.476 20 10 CECDMO CCC[N@@H+](CC(=O)OCC)Cc1ccc(C)cc1O ZINC000876631882 650368041 /nfs/dbraw/zinc/36/80/41/650368041.db2.gz YFCDCZDPLZYHRV-UHFFFAOYSA-N 1 1 265.353 2.476 20 10 CECDMO Oc1cccc2c1[C@@H]([NH2+][C@H]1CCc3[nH]cnc3C1)CC2 ZINC000834808232 637956787 /nfs/dbraw/zinc/95/67/87/637956787.db2.gz YPFPJXSCJCUKFI-AAEUAGOBSA-N 1 1 269.348 2.250 20 10 CECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2COCC2(C)C)c1 ZINC000834903393 637982780 /nfs/dbraw/zinc/98/27/80/637982780.db2.gz JCPCCSHBBNFXJB-HZMBPMFUSA-N 1 1 293.363 2.254 20 10 CECDMO 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C[NH2+]C[C@@H]1CCCN(Cc2ccc(N(C)C)cc2C)C1 ZINC000843044974 640250194 /nfs/dbraw/zinc/25/01/94/640250194.db2.gz OGTCXMMATJMVLX-HNNXBMFYSA-N 1 1 275.440 2.492 20 10 CECDMO C[NH2+]C[C@@H]1CCCN1Cc1cccc(Br)c1O ZINC000843055358 640257399 /nfs/dbraw/zinc/25/73/99/640257399.db2.gz IAIGMKSYIJRBPT-NSHDSACASA-N 1 1 299.212 2.339 20 10 CECDMO C[C@H]1CN(Cc2cc(Cl)cc(F)c2O)[C@@H](C)C[NH2+]1 ZINC000843119948 640288952 /nfs/dbraw/zinc/28/89/52/640288952.db2.gz QBYKJINNIZLXOJ-IUCAKERBSA-N 1 1 272.751 2.367 20 10 CECDMO Cc1cc(O)c(CN2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1C ZINC000843126039 640293389 /nfs/dbraw/zinc/29/33/89/640293389.db2.gz FEZDFWKHXGCKMT-UKRRQHHQSA-N 1 1 260.381 2.193 20 10 CECDMO [O-]c1c(Cl)cccc1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000843127709 640294449 /nfs/dbraw/zinc/29/44/49/640294449.db2.gz SIYWXYIARAGREP-GXFFZTMASA-N 1 1 266.772 2.229 20 10 CECDMO [O-]c1c(Cl)cccc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000843127711 640294724 /nfs/dbraw/zinc/29/47/24/640294724.db2.gz 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ZINC000848904438 642181276 /nfs/dbraw/zinc/18/12/76/642181276.db2.gz UBYXPMVYOVFWEM-CHWSQXEVSA-N 1 1 262.397 2.479 20 10 CECDMO CCc1cccc(CN2CC[N@@H+](C)[C@H](C)[C@H]2C)c1O ZINC000848904438 642181281 /nfs/dbraw/zinc/18/12/81/642181281.db2.gz UBYXPMVYOVFWEM-CHWSQXEVSA-N 1 1 262.397 2.479 20 10 CECDMO CCc1cccc(C[N@H+]2C[C@@H](C)[S@](=O)[C@@H](C)C2)c1O ZINC000848905470 642182860 /nfs/dbraw/zinc/18/28/60/642182860.db2.gz IBKUNVIVORYZJV-ZUSKZHGZSA-N 1 1 281.421 2.296 20 10 CECDMO CCc1cccc(C[N@@H+]2C[C@@H](C)[S@](=O)[C@@H](C)C2)c1O ZINC000848905470 642182865 /nfs/dbraw/zinc/18/28/65/642182865.db2.gz IBKUNVIVORYZJV-ZUSKZHGZSA-N 1 1 281.421 2.296 20 10 CECDMO CCc1cccc(C[N@@H+](C)CC(C)(C)CO)c1O ZINC000848913697 642187531 /nfs/dbraw/zinc/18/75/31/642187531.db2.gz BQRBACYQYHETIS-UHFFFAOYSA-N 1 1 251.370 2.405 20 10 CECDMO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1nnc2n1CCC2 ZINC000921521330 642187654 /nfs/dbraw/zinc/18/76/54/642187654.db2.gz XMNWYBWWSXDDEH-GFCCVEGCSA-N 1 1 298.390 2.400 20 10 CECDMO CCc1cccc(C[N@H+]2CC[C@](O)(C(F)F)C2)c1O ZINC000848916851 642191104 /nfs/dbraw/zinc/19/11/04/642191104.db2.gz XVXLSALLPHDBKA-CQSZACIVSA-N 1 1 271.307 2.157 20 10 CECDMO Cc1ccc(C[N@H+]2CCOC[C@H]2[C@@H]2CCCO2)c(O)c1 ZINC000877516146 650761246 /nfs/dbraw/zinc/76/12/46/650761246.db2.gz BPNDSLXQLVCEHR-HOCLYGCPSA-N 1 1 277.364 2.080 20 10 CECDMO Cc1ccc(C[N@H+]2CCOC[C@H]2[C@H]2CCCO2)c(O)c1 ZINC000877516145 650761377 /nfs/dbraw/zinc/76/13/77/650761377.db2.gz BPNDSLXQLVCEHR-GOEBONIOSA-N 1 1 277.364 2.080 20 10 CECDMO CNC(=O)OC[C@H]1CCCC[N@H+]1Cc1ccc(C)cc1O ZINC000877533248 650772166 /nfs/dbraw/zinc/77/21/66/650772166.db2.gz OHGLGHNMCKRYCG-CQSZACIVSA-N 1 1 292.379 2.411 20 10 CECDMO COC[C@@H](CC[NH2+]Cc1c(O)ccc(Cl)c1F)OC ZINC000850345749 642674196 /nfs/dbraw/zinc/67/41/96/642674196.db2.gz JPRAXAUWFLBVDJ-SECBINFHSA-N 1 1 291.750 2.326 20 10 CECDMO COc1cccc(C[NH2+]Cc2nccc(OC)c2F)c1O ZINC000850381187 642692330 /nfs/dbraw/zinc/69/23/30/642692330.db2.gz WFNQHCHIQDCDJZ-UHFFFAOYSA-N 1 1 292.310 2.233 20 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1 1 278.396 2.317 20 10 CECDMO COc1cccc(O)c1C[N@@H+]1CCN(C)C(C)(C)CC1 ZINC000877701539 650858796 /nfs/dbraw/zinc/85/87/96/650858796.db2.gz ZSXVZUGVKDADHN-UHFFFAOYSA-N 1 1 278.396 2.317 20 10 CECDMO COc1cccc(O)c1C[N@H+]1CCN(C)C(C)(C)CC1 ZINC000877701539 650858797 /nfs/dbraw/zinc/85/87/97/650858797.db2.gz ZSXVZUGVKDADHN-UHFFFAOYSA-N 1 1 278.396 2.317 20 10 CECDMO COCc1cc(C[NH2+]Cc2ccc(N(C)C)cc2C)no1 ZINC000838951259 644080785 /nfs/dbraw/zinc/08/07/85/644080785.db2.gz QITFWCZCQLTYOM-UHFFFAOYSA-N 1 1 289.379 2.485 20 10 CECDMO COc1cccc(O)c1CN1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000877751020 650893583 /nfs/dbraw/zinc/89/35/83/650893583.db2.gz RGCVVZIRRPFZBG-CQSZACIVSA-N 1 1 278.396 2.173 20 10 CECDMO COc1cccc(O)c1C[N@@H+]1CCN(C)[C@@H](C(C)C)C1 ZINC000877751020 650893585 /nfs/dbraw/zinc/89/35/85/650893585.db2.gz RGCVVZIRRPFZBG-CQSZACIVSA-N 1 1 278.396 2.173 20 10 CECDMO COc1cccc(O)c1C[N@H+]1CCN(C)[C@@H](C(C)C)C1 ZINC000877751020 650893586 /nfs/dbraw/zinc/89/35/86/650893586.db2.gz RGCVVZIRRPFZBG-CQSZACIVSA-N 1 1 278.396 2.173 20 10 CECDMO COc1cccc(O)c1C[N@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000839187809 644184013 /nfs/dbraw/zinc/18/40/13/644184013.db2.gz OWRYLMRNJKJFPY-YPMHNXCESA-N 1 1 263.337 2.012 20 10 CECDMO CCN(C)c1ccc(C[N@H+]2CCCN(C)CC2)cc1 ZINC000839465649 644236571 /nfs/dbraw/zinc/23/65/71/644236571.db2.gz ZGFTXADGKAIVMY-UHFFFAOYSA-N 1 1 261.413 2.280 20 10 CECDMO CCN(C)c1ccc(CN2CCC[N@H+](C)CC2)cc1 ZINC000839465649 644236575 /nfs/dbraw/zinc/23/65/75/644236575.db2.gz ZGFTXADGKAIVMY-UHFFFAOYSA-N 1 1 261.413 2.280 20 10 CECDMO CCN(C)c1ccc(CN2CCC[N@@H+](C)CC2)cc1 ZINC000839465649 644236577 /nfs/dbraw/zinc/23/65/77/644236577.db2.gz ZGFTXADGKAIVMY-UHFFFAOYSA-N 1 1 261.413 2.280 20 10 CECDMO COc1cc(C)cc(C[N@@H+](C)[C@H]2CCN(C3CC3)C2)c1O ZINC000754726294 644421256 /nfs/dbraw/zinc/42/12/56/644421256.db2.gz NQSHQOHHTMYIHF-HNNXBMFYSA-N 1 1 290.407 2.378 20 10 CECDMO COc1cc(C)cc(CN(C)[C@H]2CC[N@@H+](C3CC3)C2)c1O ZINC000754726294 644421260 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