smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(O)c(C[N@H+]2CC[C@@H](NC(N)=O)C2)cc1OC ZINC000272022950 353034474 /nfs/dbraw/zinc/03/44/74/353034474.db2.gz XUADAMVECKVPIF-SNVBAGLBSA-N 1 1 295.339 0.652 20 10 CCCDMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N(C)Cc1ccccc1O ZINC000285549373 353559810 /nfs/dbraw/zinc/55/98/10/353559810.db2.gz QPNGWODQKBMDCA-MFKMUULPSA-N 1 1 264.325 0.728 20 10 CCCDMO CN(C)C(=O)C[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000105672494 389086380 /nfs/dbraw/zinc/08/63/80/389086380.db2.gz CPYHTLLJASHLON-UHFFFAOYSA-N 1 1 266.297 0.641 20 10 CCCDMO CN(C)C(=O)C[N@@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000105672494 389086385 /nfs/dbraw/zinc/08/63/85/389086385.db2.gz CPYHTLLJASHLON-UHFFFAOYSA-N 1 1 266.297 0.641 20 10 CCCDMO COc1cccc(C[N@H+]2CCNC(=O)CC2)c1O ZINC000093101795 389035669 /nfs/dbraw/zinc/03/56/69/389035669.db2.gz GBSMEQIYXKAVFL-UHFFFAOYSA-N 1 1 250.298 0.723 20 10 CCCDMO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@](O)(C(N)=O)C2)c1O ZINC000276480336 389516846 /nfs/dbraw/zinc/51/68/46/389516846.db2.gz RYAKMECXLSTANJ-AWEZNQCLSA-N 1 1 296.298 0.156 20 10 CCCDMO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@](O)(C(N)=O)C2)c1O ZINC000276480336 389516847 /nfs/dbraw/zinc/51/68/47/389516847.db2.gz RYAKMECXLSTANJ-AWEZNQCLSA-N 1 1 296.298 0.156 20 10 CCCDMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1cccc(O)c1O ZINC000126469984 260353403 /nfs/dbraw/zinc/35/34/03/260353403.db2.gz YLYYGFAOJYWZPZ-MNOVXSKESA-N 1 1 292.335 0.691 20 10 CCCDMO O=C1CO[C@H]2CC[N@H+](Cc3cc(F)ccc3O)C[C@@H]2N1 ZINC000377223617 268057332 /nfs/dbraw/zinc/05/73/32/268057332.db2.gz KVICDBPLIGNOML-AAEUAGOBSA-N 1 1 280.299 0.621 20 10 CCCDMO COc1c(O)c(C[N@H+]2CC[C@H](C(N)=O)C2)ccc1[N+](=O)[O-] ZINC000278242787 521870315 /nfs/dbraw/zinc/87/03/15/521870315.db2.gz OBPIFXUXXDATAB-VIFPVBQESA-N 1 1 295.295 0.616 20 10 CCCDMO COCC(=O)N1CC[NH+](Cc2cccc(OC)c2O)CC1 ZINC000128709042 522749164 /nfs/dbraw/zinc/74/91/64/522749164.db2.gz BXCGCKPMCLZRBK-UHFFFAOYSA-N 1 1 294.351 0.691 20 10 CCCDMO C[C@@H](C(=O)N(C)Cc1ccccc1O)N1CC[NH+](C)CC1 ZINC000263676195 524086501 /nfs/dbraw/zinc/08/65/01/524086501.db2.gz MBVPXXPHMQTVRX-ZDUSSCGKSA-N 1 1 291.395 0.987 20 10 CCCDMO COc1ccc(O)c(CNC(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC000734016886 581540863 /nfs/dbraw/zinc/54/08/63/581540863.db2.gz LNOHDNDSQUASGD-JTQLQIEISA-N 1 1 264.325 0.969 20 10 CCCDMO CN(C)C(=O)NCC[N@@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000757867469 581713233 /nfs/dbraw/zinc/71/32/33/581713233.db2.gz VKIBLTAEEQVVLD-UHFFFAOYSA-N 1 1 295.339 0.824 20 10 CCCDMO C[C@H]1C(=O)NCCC[N@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000788048602 581847587 /nfs/dbraw/zinc/84/75/87/581847587.db2.gz RSSFHSCLEJCUEQ-ZANVPECISA-N 1 1 292.335 0.528 20 10 CCCDMO C[C@H]1C(=O)NCCC[N@@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000788048602 581847589 /nfs/dbraw/zinc/84/75/89/581847589.db2.gz RSSFHSCLEJCUEQ-ZANVPECISA-N 1 1 292.335 0.528 20 10 CCCDMO COc1cccc(C[N@@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)c1O ZINC000761214588 581896560 /nfs/dbraw/zinc/89/65/60/581896560.db2.gz CERMUYLSZPTDNV-JTQLQIEISA-N 1 1 291.307 0.137 20 10 CCCDMO COc1cccc(C[N@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)c1O ZINC000761214588 581896562 /nfs/dbraw/zinc/89/65/62/581896562.db2.gz CERMUYLSZPTDNV-JTQLQIEISA-N 1 1 291.307 0.137 20 10 CCCDMO COc1c([O-])c(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000774914220 582002503 /nfs/dbraw/zinc/00/25/03/582002503.db2.gz MICGFSKGMLMKOG-QWRGUYRKSA-N 1 1 293.323 0.960 20 10 CCCDMO C[N@@H+](Cc1cc2c(cc1O)OC[C@H]2O)[C@H]1CCNC1=O ZINC000768465454 582107174 /nfs/dbraw/zinc/10/71/74/582107174.db2.gz NCKDJXOOTKRULX-CMPLNLGQSA-N 1 1 278.308 0.138 20 10 CCCDMO COc1cc(C)cc(C[N@H+]2CC[C@@H](NC(N)=O)C2)c1O ZINC000894092907 617175398 /nfs/dbraw/zinc/17/53/98/617175398.db2.gz AAXJZHPUEVWGQW-LLVKDONJSA-N 1 1 279.340 0.952 20 10 CCCDMO COc1ccc(C[N@H+]2CC[C@H](NC(N)=O)C2)c(O)c1OC ZINC000892244131 617251147 /nfs/dbraw/zinc/25/11/47/617251147.db2.gz GCEJYWDVXWULCN-JTQLQIEISA-N 1 1 295.339 0.652 20 10 CCCDMO COc1ccc(N(C)CC[N@@H+](C)C[C@H](O)[C@H](C)O)cc1 ZINC000930847692 617267107 /nfs/dbraw/zinc/26/71/07/617267107.db2.gz BPLAZKOZJLURBI-WFASDCNBSA-N 1 1 282.384 0.805 20 10 CCCDMO COc1ccc(N2CCC[N@@H+](C[C@H](O)[C@@H](C)O)CC2)cc1 ZINC000929315969 617267746 /nfs/dbraw/zinc/26/77/46/617267746.db2.gz NRHUYFLKOWWHNU-CJNGLKHVSA-N 1 1 294.395 0.949 20 10 CCCDMO COc1cccc(C[N@H+]2C[C@H](CO)[C@H](CO)C2)c1O ZINC000877764627 617297858 /nfs/dbraw/zinc/29/78/58/617297858.db2.gz LFXMYTNOGILNFB-TXEJJXNPSA-N 1 1 267.325 0.433 20 10 CCCDMO CCOc1ccc(O)c(C[N@H+]2CCN(C)C[C@H]2CO)c1 ZINC000877643851 615512053 /nfs/dbraw/zinc/51/20/53/615512053.db2.gz KBNPKYKRPPSNMN-ZDUSSCGKSA-N 1 1 280.368 0.899 20 10 CCCDMO CCOc1ccc(O)c(CN2CC[N@H+](C)C[C@H]2CO)c1 ZINC000877643851 615512055 /nfs/dbraw/zinc/51/20/55/615512055.db2.gz KBNPKYKRPPSNMN-ZDUSSCGKSA-N 1 1 280.368 0.899 20 10 CCCDMO CCOc1ccc(O)c(CN2CC[N@@H+](C)C[C@H]2CO)c1 ZINC000877643851 615512057 /nfs/dbraw/zinc/51/20/57/615512057.db2.gz KBNPKYKRPPSNMN-ZDUSSCGKSA-N 1 1 280.368 0.899 20 10 CCCDMO CCc1cccc(C[N@@H+]2C[C@H](O)C[C@H](O)C2)c1O ZINC000848889947 615683048 /nfs/dbraw/zinc/68/30/48/615683048.db2.gz NUODFEUHODAEBC-BETUJISGSA-N 1 1 251.326 0.882 20 10 CCCDMO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@@H]2CO)cc1 ZINC000934028654 616166963 /nfs/dbraw/zinc/16/69/63/616166963.db2.gz YUVNHNADVFXELJ-OAHLLOKOSA-N 1 1 291.395 0.778 20 10 CCCDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CC[C@@H]2CO)cc1 ZINC000934028654 616166964 /nfs/dbraw/zinc/16/69/64/616166964.db2.gz YUVNHNADVFXELJ-OAHLLOKOSA-N 1 1 291.395 0.778 20 10 CCCDMO C[NH+]1CCN(CC(=O)NCc2cc(Cl)ccc2O)CC1 ZINC000846475755 616239841 /nfs/dbraw/zinc/23/98/41/616239841.db2.gz IDFWXYJAGVOUDL-UHFFFAOYSA-N 1 1 297.786 0.909 20 10 CCCDMO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1O ZINC000109769584 616708797 /nfs/dbraw/zinc/70/87/97/616708797.db2.gz IESXIPQADIRRLM-VIFPVBQESA-N 1 1 265.313 0.668 20 10 CCCDMO COC(=O)[C@H]1C[C@H](O)C[N@@H+](Cc2ccccc2O)C1 ZINC000843434400 616724289 /nfs/dbraw/zinc/72/42/89/616724289.db2.gz KRZDHDXHOKHEQT-RYUDHWBXSA-N 1 1 265.309 0.748 20 10 CCCDMO Cc1cccc(C[N@H+]2CC[C@@H](CS(N)(=O)=O)C2)c1O ZINC000897059642 632384058 /nfs/dbraw/zinc/38/40/58/632384058.db2.gz CTHPVZIMIIAOJM-LLVKDONJSA-N 1 1 284.381 0.811 20 10 CCCDMO Cc1cccc(C[N@H+]2CCN3[C@H](CNS3(=O)=O)C2)c1O ZINC000897279505 632458031 /nfs/dbraw/zinc/45/80/31/632458031.db2.gz RTBVYWYRDUJYFT-GFCCVEGCSA-N 1 1 297.380 0.035 20 10 CCCDMO OC[C@]1(O)CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000839159646 640307272 /nfs/dbraw/zinc/30/72/72/640307272.db2.gz OEDSUSOLJRAYAB-ZDUSSCGKSA-N 1 1 255.289 0.851 20 10 CCCDMO C[C@H](NC(=O)CN1CC[NH+](C)CC1)c1ccccc1O ZINC000827973083 642055708 /nfs/dbraw/zinc/05/57/08/642055708.db2.gz IDNFOKGARSWPPU-LBPRGKRZSA-N 1 1 277.368 0.817 20 10 CCCDMO [NH3+]C[C@@H]1CCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000843048746 642980966 /nfs/dbraw/zinc/98/09/66/642980966.db2.gz VUEUFLVEIIMBQW-VIFPVBQESA-N 1 1 250.298 0.902 20 10 CCCDMO O=[S@]1C[C@@H]2C[C@H]1C[N@H+]2Cc1cc2c(cc1O)OC[C@H]2O ZINC000844747872 643244365 /nfs/dbraw/zinc/24/43/65/643244365.db2.gz DGFVVFIBWHULBZ-RWFLYAEDSA-N 1 1 295.360 0.523 20 10 CCCDMO O=[S@]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cc2c(cc1O)OC[C@H]2O ZINC000844747872 643244369 /nfs/dbraw/zinc/24/43/69/643244369.db2.gz DGFVVFIBWHULBZ-RWFLYAEDSA-N 1 1 295.360 0.523 20 10 CCCDMO Oc1cccc(Br)c1C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000862446018 645000215 /nfs/dbraw/zinc/00/02/15/645000215.db2.gz MLTAUNGMURRCQE-QWRGUYRKSA-N 1 1 288.141 0.692 20 10 CCCDMO Cc1ccc(O)c(CNC(=O)[C@@H]2C[N@H+](C)CCO2)c1 ZINC000862760884 645034211 /nfs/dbraw/zinc/03/42/11/645034211.db2.gz XDQLWXYJWZCBKC-ZDUSSCGKSA-N 1 1 264.325 0.647 20 10 CCCDMO Cc1ccc(O)c(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000862760884 645034220 /nfs/dbraw/zinc/03/42/20/645034220.db2.gz XDQLWXYJWZCBKC-ZDUSSCGKSA-N 1 1 264.325 0.647 20 10 CCCDMO Cc1ccc(C[N@H+]2CCC[C@H]2CS(N)(=O)=O)c(O)c1 ZINC000876737751 646653255 /nfs/dbraw/zinc/65/32/55/646653255.db2.gz UCPATPBATSZSTA-LBPRGKRZSA-N 1 1 284.381 0.954 20 10 CCCDMO Cc1cccc(O)c1C[NH+]1CC(n2cc(C(N)=O)nn2)C1 ZINC000877581836 646825511 /nfs/dbraw/zinc/82/55/11/646825511.db2.gz VFQUCBBLYDHZAQ-UHFFFAOYSA-N 1 1 287.323 0.448 20 10 CCCDMO COc1cc(N(C)C)ccc1C[N@H+]1CC[C@H](O)[C@H](CO)C1 ZINC001231847670 805863429 /nfs/dbraw/zinc/86/34/29/805863429.db2.gz BEXNWMBHMFYFJO-ZFWWWQNUSA-N 1 1 294.395 0.936 20 10 CCCDMO C[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(N(C)C)cc1O ZINC001232839845 805987348 /nfs/dbraw/zinc/98/73/48/805987348.db2.gz XNGZUSOBHSQNFQ-SNVBAGLBSA-N 1 1 263.341 0.779 20 10 CCCDMO C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(N(C)C)cc1O ZINC001232839845 805987355 /nfs/dbraw/zinc/98/73/55/805987355.db2.gz XNGZUSOBHSQNFQ-SNVBAGLBSA-N 1 1 263.341 0.779 20 10 CCCDMO C[N@@H+](C1CN(Cc2cc(O)c(O)c(O)c2)C1)[C@H]1CCOC1 ZINC001233016126 806009216 /nfs/dbraw/zinc/00/92/16/806009216.db2.gz NIDBUFBOOFMLNX-NSHDSACASA-N 1 1 294.351 0.708 20 10 CCCDMO COC(C[N@@H+](C)Cc1cc(O)c(O)cc1O)OC ZINC001233485961 806060664 /nfs/dbraw/zinc/06/06/64/806060664.db2.gz RWDHVVVNPDIXIU-UHFFFAOYSA-N 1 1 257.286 0.854 20 10 CCCDMO CC(=O)N[C@H]1CCC[N@@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233485018 806061373 /nfs/dbraw/zinc/06/13/73/806061373.db2.gz GAYLGXAHHRRMMN-NSHDSACASA-N 1 1 280.324 0.904 20 10 CCCDMO CCc1ccc(C[N@@H+]2C[C@H](N)[C@@H](C(=O)OC)C2)c(O)c1 ZINC001236356105 806585039 /nfs/dbraw/zinc/58/50/39/806585039.db2.gz REGCWBIQFYMEIQ-STQMWFEESA-N 1 1 278.352 0.887 20 10 CCCDMO CCc1ccc(C[N@H+]2C[C@H](N)[C@@H](C(=O)OC)C2)c(O)c1 ZINC001236356105 806585045 /nfs/dbraw/zinc/58/50/45/806585045.db2.gz REGCWBIQFYMEIQ-STQMWFEESA-N 1 1 278.352 0.887 20 10 CCCDMO COC(=O)[C@H]1C[N@@H+](Cc2cc(O)ccc2O)CCCO1 ZINC001141162644 799986812 /nfs/dbraw/zinc/98/68/12/799986812.db2.gz YJIJVIWJOIZMSW-CYBMUJFWSA-N 1 1 281.308 0.862 20 10 CCCDMO COC(=O)[C@@H]1C[N@H+](C)CCN1Cc1cccc(OC)c1O ZINC001203601580 803037293 /nfs/dbraw/zinc/03/72/93/803037293.db2.gz BGYYYMINQCLHHA-LBPRGKRZSA-N 1 1 294.351 0.690 20 10 CCCDMO COC(=O)[C@@H]1C[N@@H+](C)CCN1Cc1cccc(OC)c1O ZINC001203601580 803037300 /nfs/dbraw/zinc/03/73/00/803037300.db2.gz BGYYYMINQCLHHA-LBPRGKRZSA-N 1 1 294.351 0.690 20 10 CCCDMO CN1C[C@@H]2C[N@@H+](Cc3ccc(O)cc3O)C[C@@H]2C1=O ZINC001204273447 803074592 /nfs/dbraw/zinc/07/45/92/803074592.db2.gz BSOKMXJJTYYABM-PWSUYJOCSA-N 1 1 262.309 0.618 20 10 CCCDMO COc1cc(C[N@H+]2CC[C@H](CO)C2)cc(O)c1O ZINC001204344165 803079694 /nfs/dbraw/zinc/07/96/94/803079694.db2.gz ZRCZCGJFFJYGBB-VIFPVBQESA-N 1 1 253.298 0.921 20 10 CCCDMO COc1cc(CN2C[C@@H]3C[C@H]2C[N@H+]3C)cc(O)c1O ZINC001204348923 803080601 /nfs/dbraw/zinc/08/06/01/803080601.db2.gz LGYSAXYBGVLMJL-QWRGUYRKSA-N 1 1 264.325 0.995 20 10 CCCDMO [NH3+][C@@H]1CN(Cc2cc(Cl)cc(F)c2O)C[C@H]1O ZINC001205370557 803138450 /nfs/dbraw/zinc/13/84/50/803138450.db2.gz VSFYPSJSNBTLGN-NXEZZACHSA-N 1 1 260.696 0.689 20 10 CCCDMO C[N@H+]1C[C@@H]2COC[C@H](C1)N2Cc1cc(O)c(O)cc1O ZINC001276516579 803368007 /nfs/dbraw/zinc/36/80/07/803368007.db2.gz IKYZTVPEOQEMQH-PHIMTYICSA-N 1 1 280.324 0.318 20 10 CCCDMO C[C@@H]([NH2+]Cc1cc(F)ccc1O)c1nnnn1C ZINC001207732644 803443348 /nfs/dbraw/zinc/44/33/48/803443348.db2.gz NPMSMQLNYMKINL-SSDOTTSWSA-N 1 1 251.265 0.906 20 10 CCCDMO Oc1cccc2c1C[N@@H+](C[C@@H](O)CN1CCOCC1)CC2 ZINC001251020067 807643756 /nfs/dbraw/zinc/64/37/56/807643756.db2.gz CLZUVJRECYDMEB-AWEZNQCLSA-N 1 1 292.379 0.443 20 10 CCCDMO C[N@H+]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccc(O)c(O)c1)C2 ZINC001270038198 813596253 /nfs/dbraw/zinc/59/62/53/813596253.db2.gz UUJBLVZUXVGGJG-KOLCDFICSA-N 1 1 262.309 0.874 20 10 CCCDMO Cc1ccc(O)c(C[NH+]2CC3(C2)COCC(=O)N3C)c1 ZINC001272622547 816868012 /nfs/dbraw/zinc/86/80/12/816868012.db2.gz NFNYALJVHJFQIC-UHFFFAOYSA-N 1 1 276.336 0.744 20 10 CCCDMO C[NH+](C)Cc1c(F)cc(N2C[C@H](O)C[C@@H]2CO)cc1F ZINC001170289024 837297471 /nfs/dbraw/zinc/29/74/71/837297471.db2.gz FOJOSEWRDFCIKK-GHMZBOCLSA-N 1 1 286.322 0.958 20 10 CCCDMO CO[C@@H]1C[N@@H+](Cc2c(O)cc(O)cc2O)C[C@@H]1F ZINC001144500150 840067164 /nfs/dbraw/zinc/06/71/64/840067164.db2.gz PZIFDOXFRTXHAR-JOYOIKCWSA-N 1 1 257.261 0.972 20 10 CCCDMO C[C@]1(CO)C[N@@H+](Cc2c(O)cc(O)cc2O)CC[C@@H]1O ZINC001144503738 840068497 /nfs/dbraw/zinc/06/84/97/840068497.db2.gz BJVHBBMKJOVYBS-UONOGXRCSA-N 1 1 283.324 0.369 20 10 CCCDMO Oc1cc(O)c(C[N@H+]2CC[C@@H](N3CCOCC3)C2)c(O)c1 ZINC001144509001 840072814 /nfs/dbraw/zinc/07/28/14/840072814.db2.gz GZPJBBDMZTZEFY-LLVKDONJSA-N 1 1 294.351 0.710 20 10 CCCDMO O=C1C[N@H+](Cc2c(O)cc(O)cc2O)C[C@H]2CCCN12 ZINC001144514836 840074571 /nfs/dbraw/zinc/07/45/71/840074571.db2.gz UPHOUOZMOOSCBE-SECBINFHSA-N 1 1 278.308 0.610 20 10 CCCDMO O=C1C[N@@H+](Cc2c(O)cc(O)cc2O)C[C@H]2CCCN12 ZINC001144514836 840074577 /nfs/dbraw/zinc/07/45/77/840074577.db2.gz UPHOUOZMOOSCBE-SECBINFHSA-N 1 1 278.308 0.610 20 10 CCCDMO COC(=O)C[C@H]1C[N@H+](Cc2c(O)cc(O)cc2O)CCO1 ZINC001144514562 840074914 /nfs/dbraw/zinc/07/49/14/840074914.db2.gz KRVNQAQOZVSBQD-JTQLQIEISA-N 1 1 297.307 0.567 20 10 CCCDMO COC(=O)C[C@H]1C[N@@H+](Cc2c(O)cc(O)cc2O)CCO1 ZINC001144514562 840074926 /nfs/dbraw/zinc/07/49/26/840074926.db2.gz KRVNQAQOZVSBQD-JTQLQIEISA-N 1 1 297.307 0.567 20 10 CCCDMO Cc1cc(C)c(CNC(=O)C[N@@H+]2CC[C@H](O)C2)c(O)c1 ZINC001186055342 844502607 /nfs/dbraw/zinc/50/26/07/844502607.db2.gz PLVLUIALLIUJFF-LBPRGKRZSA-N 1 1 278.352 0.692 20 10 CCCDMO Cc1cc(C)c(CNC(=O)C[N@H+]2CC[C@H](O)C2)c(O)c1 ZINC001186055342 844502609 /nfs/dbraw/zinc/50/26/09/844502609.db2.gz PLVLUIALLIUJFF-LBPRGKRZSA-N 1 1 278.352 0.692 20 10 CCCDMO COc1cc(CN2CC[N@H+]3CC[C@H]3C2)cc(O)c1O ZINC001204350478 843885400 /nfs/dbraw/zinc/88/54/00/843885400.db2.gz HSIWGYSYFUCSNQ-NSHDSACASA-N 1 1 264.325 0.996 20 10 CCCDMO O=C(N[C@H]1CC[NH2+]C1)c1cc(O)c(O)c(Cl)c1 ZINC001193625952 846129582 /nfs/dbraw/zinc/12/95/82/846129582.db2.gz PVTQFYDSWCUVNO-ZETCQYMHSA-N 1 1 256.689 0.843 20 10 CCCDMO COc1cc(CN2CCCC[C@@](O)(C[NH3+])C2)c(O)cc1O ZINC001205688933 846473943 /nfs/dbraw/zinc/47/39/43/846473943.db2.gz MDZFVFOVXGPHFL-OAHLLOKOSA-N 1 1 296.367 0.782 20 10 CCCDMO Oc1ccc(C[N@H+]2CCc3nncn3CC2)cc1O ZINC001203875188 846895611 /nfs/dbraw/zinc/89/56/11/846895611.db2.gz JUUMZJDIPDUSQN-UHFFFAOYSA-N 1 1 260.297 0.748 20 10 CCCDMO Oc1ccc(C[N@@H+]2CCc3nncn3CC2)cc1O ZINC001203875188 846895616 /nfs/dbraw/zinc/89/56/16/846895616.db2.gz JUUMZJDIPDUSQN-UHFFFAOYSA-N 1 1 260.297 0.748 20 10 CCCDMO COc1ccc(C[NH2+]Cc2nncn2C)c(O)c1OC ZINC001119940587 856929295 /nfs/dbraw/zinc/92/92/95/856929295.db2.gz FPHGVJWDJBEMBB-UHFFFAOYSA-N 1 1 278.312 0.828 20 10 CCCDMO C[N@H+]1CCC[C@@H]1C(=O)NCc1cc(O)ccc1O ZINC001303225715 908070338 /nfs/dbraw/zinc/07/03/38/908070338.db2.gz OCVHLWOCPJOPDI-LLVKDONJSA-N 1 1 250.298 0.808 20 10 CCCDMO CNS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1ccc(N)cc1 ZINC001335290444 920097901 /nfs/dbraw/zinc/09/79/01/920097901.db2.gz WZRHGJVFCGDOCT-CYBMUJFWSA-N 1 1 283.397 0.782 20 10 CCCDMO CS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc(N)cc2)C1 ZINC001336118401 920617933 /nfs/dbraw/zinc/61/79/33/920617933.db2.gz YRBDEYKFQUEJEL-GFCCVEGCSA-N 1 1 254.355 0.888 20 10 CCCDMO CS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccc(N)cc2)C1 ZINC001336118401 920617939 /nfs/dbraw/zinc/61/79/39/920617939.db2.gz YRBDEYKFQUEJEL-GFCCVEGCSA-N 1 1 254.355 0.888 20 10 CCCDMO C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCc1ccc(N)cc1 ZINC001341242724 922397765 /nfs/dbraw/zinc/39/77/65/922397765.db2.gz RXWQPXBBAMUUOM-SWLSCSKDSA-N 1 1 288.395 0.316 20 10 CCCDMO O=C(N[C@@H]1CCC[N@H+](CCCO)C1)c1cccc(O)c1O ZINC000295399285 389006591 /nfs/dbraw/zinc/00/65/91/389006591.db2.gz IJOJNOZZFVFUBC-LLVKDONJSA-N 1 1 294.351 0.674 20 10 CCCDMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)Cc1ccccc1O ZINC000109769600 389099803 /nfs/dbraw/zinc/09/98/03/389099803.db2.gz UMFQLDAMEZMSPV-MRVPVSSYSA-N 1 1 251.286 0.407 20 10 CCCDMO COC[C@H](CO)[NH2+][C@H](C)c1cc(C(=O)OC)ccc1O ZINC000280950612 328237468 /nfs/dbraw/zinc/23/74/68/328237468.db2.gz JPYMRDYDFHXNIP-KOLCDFICSA-N 1 1 283.324 0.837 20 10 CCCDMO CN(C)c1ccc(CNC(=O)C[N@@H+](C)CCC(N)=O)cc1 ZINC000286297087 328249400 /nfs/dbraw/zinc/24/94/00/328249400.db2.gz DFZYWARKNIVITP-UHFFFAOYSA-N 1 1 292.383 0.176 20 10 CCCDMO COc1ccc(CNC(=O)[C@@H]2C[N@H+](C)CCO2)c(O)c1 ZINC000794378089 581366591 /nfs/dbraw/zinc/36/65/91/581366591.db2.gz PEHYWKPKSNFRPH-ZDUSSCGKSA-N 1 1 280.324 0.348 20 10 CCCDMO COc1ccc(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)c(O)c1 ZINC000794378089 581366593 /nfs/dbraw/zinc/36/65/93/581366593.db2.gz PEHYWKPKSNFRPH-ZDUSSCGKSA-N 1 1 280.324 0.348 20 10 CCCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@]2(O)CCOC2)c1 ZINC000756770482 581677899 /nfs/dbraw/zinc/67/78/99/581677899.db2.gz XUMBNYOLPVYPAF-BMIGLBTASA-N 1 1 295.335 0.981 20 10 CCCDMO COc1ccc(C[N@@H+](C)[C@@H]2CCNC2=O)c(O)c1OC ZINC000892242819 617248331 /nfs/dbraw/zinc/24/83/31/617248331.db2.gz VVPRDFOPBAGYPR-SNVBAGLBSA-N 1 1 280.324 0.730 20 10 CCCDMO COc1ccc(O)c(C[N@@H+]2CCO[C@H](CC(N)=O)C2)c1 ZINC000862534500 617272924 /nfs/dbraw/zinc/27/29/24/617272924.db2.gz DABPNGJBIPDASG-GFCCVEGCSA-N 1 1 280.324 0.477 20 10 CCCDMO COc1ccc(O)c(C[N@H+]2CCO[C@H](CC(N)=O)C2)c1 ZINC000862534500 617272925 /nfs/dbraw/zinc/27/29/25/617272925.db2.gz DABPNGJBIPDASG-GFCCVEGCSA-N 1 1 280.324 0.477 20 10 CCCDMO COc1cccc(C[N@H+]2C[C@@H](O)C[C@@]2(C)CO)c1O ZINC000895331686 617297738 /nfs/dbraw/zinc/29/77/38/617297738.db2.gz QCGRQRJUIZZPGR-FZMZJTMJSA-N 1 1 267.325 0.718 20 10 CCCDMO COc1cccc(C[N@H+]2C[C@H](O)C[C@@]2(C)CO)c1O ZINC000895331687 617297790 /nfs/dbraw/zinc/29/77/90/617297790.db2.gz QCGRQRJUIZZPGR-RISCZKNCSA-N 1 1 267.325 0.718 20 10 CCCDMO COc1cccc(CNC(=O)NCC(F)(F)C[NH3+])c1O ZINC000841970981 617298588 /nfs/dbraw/zinc/29/85/88/617298588.db2.gz JHTWBUVFYOZFRB-UHFFFAOYSA-N 1 1 289.282 0.794 20 10 CCCDMO CC(=O)c1cc(F)cc(C[NH2+][C@@]2(C(N)=O)CCOC2)c1O ZINC000847054305 614249179 /nfs/dbraw/zinc/24/91/79/614249179.db2.gz UUPVNTIBJPAOER-AWEZNQCLSA-N 1 1 296.298 0.468 20 10 CCCDMO CCOc1ccc(C[N@H+]2C[C@H](CO)[C@H](CO)C2)c(O)c1 ZINC000877765077 615510652 /nfs/dbraw/zinc/51/06/52/615510652.db2.gz XFXWQTDGDWWSDE-BETUJISGSA-N 1 1 281.352 0.824 20 10 CCCDMO CCOc1ccc(O)c(C[N@H+]2CC[C@@H](O)[C@@H](O)C2)c1 ZINC000877749655 615512227 /nfs/dbraw/zinc/51/22/27/615512227.db2.gz ZTTCEHNGSOGINT-KGLIPLIRSA-N 1 1 267.325 0.718 20 10 CCCDMO CCOc1cccc(C[N@H+]2CCN(C)C[C@@H]2CO)c1O ZINC000877644405 615516211 /nfs/dbraw/zinc/51/62/11/615516211.db2.gz PDXCKVSEDQCKOH-CYBMUJFWSA-N 1 1 280.368 0.899 20 10 CCCDMO CCOc1cccc(CN2CC[N@H+](C)C[C@@H]2CO)c1O ZINC000877644405 615516212 /nfs/dbraw/zinc/51/62/12/615516212.db2.gz PDXCKVSEDQCKOH-CYBMUJFWSA-N 1 1 280.368 0.899 20 10 CCCDMO CCOc1cccc(CN2CC[N@@H+](C)C[C@@H]2CO)c1O ZINC000877644405 615516213 /nfs/dbraw/zinc/51/62/13/615516213.db2.gz PDXCKVSEDQCKOH-CYBMUJFWSA-N 1 1 280.368 0.899 20 10 CCCDMO CN(C)c1ccc(C[N@H+]2C[C@H](O)[C@@H](CO)C2)cc1 ZINC000839166093 616014275 /nfs/dbraw/zinc/01/42/75/616014275.db2.gz PJJQBOWQGVGKAB-OCCSQVGLSA-N 1 1 250.342 0.538 20 10 CCCDMO CN(C)c1ccc(C[N@H+]2CC[C@H](CS(N)(=O)=O)C2)cc1 ZINC000932952721 616014487 /nfs/dbraw/zinc/01/44/87/616014487.db2.gz XOXJUWAXPKCMAM-ZDUSSCGKSA-N 1 1 297.424 0.863 20 10 CCCDMO CN(C)c1ccc(C[N@H+]2C[C@H](O)[C@H](CO)C2)cc1 ZINC000839166092 616014654 /nfs/dbraw/zinc/01/46/54/616014654.db2.gz PJJQBOWQGVGKAB-JSGCOSHPSA-N 1 1 250.342 0.538 20 10 CCCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2CCNC2=O)c1 ZINC000850483354 616918464 /nfs/dbraw/zinc/91/84/64/616918464.db2.gz YEYDVNIRUIAEOI-KWQFWETISA-N 1 1 278.308 0.718 20 10 CCCDMO COc1c(O)c(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)ccc1[N+](=O)[O-] ZINC000895652178 617149221 /nfs/dbraw/zinc/14/92/21/617149221.db2.gz GAPLVPBLVCNWFI-ZANVPECISA-N 1 1 280.280 0.876 20 10 CCCDMO COc1c(O)c(C[N@H+]2C[C@@H]3C[C@]3(O)C2)ccc1[N+](=O)[O-] ZINC000895652178 617149222 /nfs/dbraw/zinc/14/92/22/617149222.db2.gz GAPLVPBLVCNWFI-ZANVPECISA-N 1 1 280.280 0.876 20 10 CCCDMO C[C@H]([NH2+]C[C@]1(CO)COCCN1C)c1c(O)cccc1F ZINC000903280736 634551297 /nfs/dbraw/zinc/55/12/97/634551297.db2.gz WHJIOUHZCGNDNT-NHYWBVRUSA-N 1 1 298.358 0.875 20 10 CCCDMO Cc1ccc(O)c(CNC(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)c1 ZINC000913000889 636720661 /nfs/dbraw/zinc/72/06/61/636720661.db2.gz YVTHDKXYZVMRGL-SWLSCSKDSA-N 1 1 278.352 0.772 20 10 CCCDMO C[C@@H](NC(=O)[C@@H]1C[N@H+]2CCN1CCC2)c1ccccc1O ZINC000827941172 642051563 /nfs/dbraw/zinc/05/15/63/642051563.db2.gz OOOAFFXWEGVMLF-OCCSQVGLSA-N 1 1 289.379 0.959 20 10 CCCDMO [NH3+]CC(F)(F)CNC(=O)NCc1ccccc1O ZINC000841970575 642863235 /nfs/dbraw/zinc/86/32/35/642863235.db2.gz AZKDHRPVTIYOFS-UHFFFAOYSA-N 1 1 259.256 0.785 20 10 CCCDMO C[C@H](O)[C@@H](O)C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000865738859 645407950 /nfs/dbraw/zinc/40/79/50/645407950.db2.gz KXKORXMRXPDGFT-BBRMVZONSA-N 1 1 293.411 0.270 20 10 CCCDMO Oc1cc2c(cc1C[N@H+]1C[C@@H]3COC[C@@H]3C1)[C@H](O)CO2 ZINC000872785709 646324356 /nfs/dbraw/zinc/32/43/56/646324356.db2.gz HRMFRAHDRVBSSU-UHIISALHSA-N 1 1 277.320 0.896 20 10 CCCDMO Cc1ccc(C[NH+]2CCN(C(=O)[C@@H](C)O)CC2)c(O)c1 ZINC000876772564 646662098 /nfs/dbraw/zinc/66/20/98/646662098.db2.gz DVGDWIPMSKKLID-GFCCVEGCSA-N 1 1 278.352 0.726 20 10 CCCDMO C[C@@H](C(=O)N(C)c1ccc(N)cc1)N1CC[NH+](C)CC1 ZINC000877076035 646726428 /nfs/dbraw/zinc/72/64/28/646726428.db2.gz LEZMXJKLKMZFAH-LBPRGKRZSA-N 1 1 276.384 0.868 20 10 CCCDMO Cc1ccc(C[N@H+]2CC[C@H](O)[C@@H](CO)C2)c(O)c1 ZINC000877592043 646826236 /nfs/dbraw/zinc/82/62/36/646826236.db2.gz KOYGEBORSJQYDO-OLZOCXBDSA-N 1 1 251.326 0.876 20 10 CCCDMO NC(=O)[C@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000157127596 649299929 /nfs/dbraw/zinc/29/99/29/649299929.db2.gz LMTJGJQBBPKMGJ-AWEZNQCLSA-N 1 1 289.379 0.830 20 10 CCCDMO COc1cc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3C)c(O)cc1O ZINC001231633808 805822856 /nfs/dbraw/zinc/82/28/56/805822856.db2.gz YRXHJWLHOWESAN-ABAIWWIYSA-N 1 1 294.351 0.621 20 10 CCCDMO COc1cc(C[N@H+]2CCOC[C@@](C)(O)C2)c(O)cc1O ZINC001231634589 805823029 /nfs/dbraw/zinc/82/30/29/805823029.db2.gz OXBSAEJNEXNSOM-AWEZNQCLSA-N 1 1 283.324 0.690 20 10 CCCDMO OC[C@@H]1CC[N@@H+](Cc2cc(Cl)c(O)cc2O)C[C@H]1O ZINC001232259991 805914959 /nfs/dbraw/zinc/91/49/59/805914959.db2.gz OFYQVGUUIMIBIV-ISVAXAHUSA-N 1 1 287.743 0.926 20 10 CCCDMO CN1CCOc2cc(C[N@H+]3C[C@H]4C[C@@]4(C(N)=O)C3)ccc21 ZINC001277653394 805928513 /nfs/dbraw/zinc/92/85/13/805928513.db2.gz PEXGAYSWSXGNLL-MLGOLLRUSA-N 1 1 287.363 0.822 20 10 CCCDMO C[N@H+]1CCCN(Cc2cc(O)c(O)c(O)c2)CC1 ZINC001233009802 806004678 /nfs/dbraw/zinc/00/46/78/806004678.db2.gz BMZHAEDXDAVUHY-UHFFFAOYSA-N 1 1 252.314 0.941 20 10 CCCDMO CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(O)c(O)c(O)c1 ZINC001233012254 806006111 /nfs/dbraw/zinc/00/61/11/806006111.db2.gz KQIZFHYAEAUVHZ-GHMZBOCLSA-N 1 1 292.335 0.999 20 10 CCCDMO CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(O)c(O)c(O)c1 ZINC001233012254 806006116 /nfs/dbraw/zinc/00/61/16/806006116.db2.gz KQIZFHYAEAUVHZ-GHMZBOCLSA-N 1 1 292.335 0.999 20 10 CCCDMO OC[C@@H]1C[C@H]2OCC[N@H+](Cc3cc(O)c(O)cc3O)[C@@H]2C1 ZINC001233483204 806060413 /nfs/dbraw/zinc/06/04/13/806060413.db2.gz QTBSKFPEVRCNDU-ZVWUFJHRSA-N 1 1 295.335 0.775 20 10 CCCDMO OC[C@@H]1C[C@H]2OCC[N@@H+](Cc3cc(O)c(O)cc3O)[C@@H]2C1 ZINC001233483204 806060421 /nfs/dbraw/zinc/06/04/21/806060421.db2.gz QTBSKFPEVRCNDU-ZVWUFJHRSA-N 1 1 295.335 0.775 20 10 CCCDMO CN1CCN(CC[N@H+](C)Cc2cc(O)c(O)cc2O)CC1 ZINC001233486317 806062705 /nfs/dbraw/zinc/06/27/05/806062705.db2.gz IKKJDYOBYOYJSW-UHFFFAOYSA-N 1 1 295.383 0.483 20 10 CCCDMO CN1CCN(CC[N@@H+](C)Cc2cc(O)c(O)cc2O)CC1 ZINC001233486317 806062714 /nfs/dbraw/zinc/06/27/14/806062714.db2.gz IKKJDYOBYOYJSW-UHFFFAOYSA-N 1 1 295.383 0.483 20 10 CCCDMO COC(=O)[C@H]1C[N@H+](Cc2ccccc2O)C[C@@H]1N ZINC001236337960 806568095 /nfs/dbraw/zinc/56/80/95/806568095.db2.gz CGVXIKISNQRFMC-QWRGUYRKSA-N 1 1 250.298 0.324 20 10 CCCDMO COC(=O)[C@H]1C[N@@H+](Cc2ccccc2O)C[C@@H]1N ZINC001236337960 806568104 /nfs/dbraw/zinc/56/81/04/806568104.db2.gz CGVXIKISNQRFMC-QWRGUYRKSA-N 1 1 250.298 0.324 20 10 CCCDMO COc1cc(O)c(C[N@H+]2CCOC[C@@H](O)C2)cc1OC ZINC001236748877 806607341 /nfs/dbraw/zinc/60/73/41/806607341.db2.gz BKEXWCAUEVBPKF-NSHDSACASA-N 1 1 283.324 0.603 20 10 CCCDMO COc1cc(C[N@H+]2C[C@@H](O)[C@H](CO)C2)c(O)c(OC)c1 ZINC001237668308 806709131 /nfs/dbraw/zinc/70/91/31/806709131.db2.gz BZXAHCRLOXPFMV-CMPLNLGQSA-N 1 1 283.324 0.194 20 10 CCCDMO COC(=O)[C@@H]1C[N@@H+](Cc2cc(C)ccc2O)CCN1C ZINC001140623203 799926436 /nfs/dbraw/zinc/92/64/36/799926436.db2.gz KMPWUOKTHSMYCH-ZDUSSCGKSA-N 1 1 278.352 0.990 20 10 CCCDMO Cc1c(O)ccc(C[N@H+]2CCNC(=O)CC2)c1O ZINC001140741746 799938049 /nfs/dbraw/zinc/93/80/49/799938049.db2.gz BLLWHQDLXYKVIW-UHFFFAOYSA-N 1 1 250.298 0.728 20 10 CCCDMO OC[C@@H]1C[N@@H+](Cc2cc(O)ccc2O)CC[C@@H]1O ZINC001141156568 799985276 /nfs/dbraw/zinc/98/52/76/799985276.db2.gz NNFQKGSOOFFWJX-GWCFXTLKSA-N 1 1 253.298 0.273 20 10 CCCDMO OC[C@H]1CC[N@@H+](Cc2cc(O)ccc2O)C[C@@H]1O ZINC001141156019 799985544 /nfs/dbraw/zinc/98/55/44/799985544.db2.gz CXYZDQPQPMVLIC-RNCFNFMXSA-N 1 1 253.298 0.273 20 10 CCCDMO O=C([C@@H]1COCC[NH2+]1)N1CCCc2cc(O)c(O)cc2C1 ZINC001160924685 802048502 /nfs/dbraw/zinc/04/85/02/802048502.db2.gz OQBOTMURAAIXDN-LBPRGKRZSA-N 1 1 292.335 0.361 20 10 CCCDMO COc1ccc(O)c(C[N@H+]2CC[C@H]3CNC(=O)[C@H]3C2)c1 ZINC001203677987 803041591 /nfs/dbraw/zinc/04/15/91/803041591.db2.gz DITGBMIVCPMACW-GWCFXTLKSA-N 1 1 276.336 0.969 20 10 CCCDMO CNC(=O)N[C@H]1CCC[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203881549 803051019 /nfs/dbraw/zinc/05/10/19/803051019.db2.gz QPZROHCVTRXOIP-NSHDSACASA-N 1 1 279.340 0.991 20 10 CCCDMO CNC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203881549 803051025 /nfs/dbraw/zinc/05/10/25/803051025.db2.gz QPZROHCVTRXOIP-NSHDSACASA-N 1 1 279.340 0.991 20 10 CCCDMO O=C1COC[C@@H]2C[N@H+](Cc3ccc(O)cc3O)CCN12 ZINC001204280368 803075875 /nfs/dbraw/zinc/07/58/75/803075875.db2.gz KCAAUUVAIJYPDV-NSHDSACASA-N 1 1 278.308 0.141 20 10 CCCDMO O=C1COC[C@@H]2C[N@@H+](Cc3ccc(O)cc3O)CCN12 ZINC001204280368 803075886 /nfs/dbraw/zinc/07/58/86/803075886.db2.gz KCAAUUVAIJYPDV-NSHDSACASA-N 1 1 278.308 0.141 20 10 CCCDMO COc1cc(C[N@H+]2C[C@H](C)[C@H](O)C2)cc(O)c1O ZINC001204343827 803079627 /nfs/dbraw/zinc/07/96/27/803079627.db2.gz SPZKAPZOKGDXEF-GZMMTYOYSA-N 1 1 253.298 0.919 20 10 CCCDMO Cc1cc(CN2C[C@H](O)[C@@H](C[NH3+])C2)ccc1N(C)C ZINC001206519221 803258912 /nfs/dbraw/zinc/25/89/12/803258912.db2.gz KLEJDVOVSZLOHF-ZFWWWQNUSA-N 1 1 263.385 0.812 20 10 CCCDMO NC(=O)c1[nH]nc2c1C[N@H+](Cc1ccc(O)cc1O)CC2 ZINC001277192065 805333897 /nfs/dbraw/zinc/33/38/97/805333897.db2.gz KHOHYUWQNLTZAP-UHFFFAOYSA-N 1 1 288.307 0.478 20 10 CCCDMO NC(=O)c1[nH]nc2c1C[N@@H+](Cc1ccc(O)cc1O)CC2 ZINC001277192065 805333903 /nfs/dbraw/zinc/33/39/03/805333903.db2.gz KHOHYUWQNLTZAP-UHFFFAOYSA-N 1 1 288.307 0.478 20 10 CCCDMO Oc1ccc([C@H](O)CNC2CC[NH2+]CC2)cc1O ZINC001246071630 807141448 /nfs/dbraw/zinc/14/14/48/807141448.db2.gz BAFHYJFKRPKHFE-CYBMUJFWSA-N 1 1 252.314 0.473 20 10 CCCDMO COC(=O)Cc1ccc(C[N@@H+]2C[C@H](O)[C@@H](C)C2)c(O)c1 ZINC001249178412 807546520 /nfs/dbraw/zinc/54/65/20/807546520.db2.gz QSZBSASHPXSNKE-HZMBPMFUSA-N 1 1 279.336 0.920 20 10 CCCDMO COc1cc(C[N@H+]2CC[C@@H](C(N)=O)C2)c(O)cc1O ZINC001231634846 816027417 /nfs/dbraw/zinc/02/74/17/816027417.db2.gz AAVYJYIWBPKUGC-MRVPVSSYSA-N 1 1 266.297 0.414 20 10 CCCDMO OC[C@]1(F)CC[N@@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144500122 840066940 /nfs/dbraw/zinc/06/69/40/840066940.db2.gz PITRPZARMLVMSC-LBPRGKRZSA-N 1 1 257.261 0.710 20 10 CCCDMO C[C@]1(O)COCC[N@@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144503787 840068448 /nfs/dbraw/zinc/06/84/48/840068448.db2.gz CYFUEGPNWMTBBJ-CYBMUJFWSA-N 1 1 269.297 0.387 20 10 CCCDMO OC[C@H]1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1c(O)cc(O)cc1O ZINC001144504320 840068566 /nfs/dbraw/zinc/06/85/66/840068566.db2.gz PHGFENOYPWEBFV-UAKXVISKSA-N 1 1 295.335 0.775 20 10 CCCDMO CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1c(O)cc(O)cc1O ZINC001144508334 840069079 /nfs/dbraw/zinc/06/90/79/840069079.db2.gz MOULDLJKGIBYCG-VXGBXAGGSA-N 1 1 292.335 0.999 20 10 CCCDMO Cc1[nH+]ccn1CCNC(=O)CN1C(=O)CSC1=S ZINC001144847235 840158798 /nfs/dbraw/zinc/15/87/98/840158798.db2.gz LGNNTICJOWFASH-UHFFFAOYSA-N 1 1 298.393 0.168 20 10 CCCDMO [NH3+]C[C@]1(O)CCCCN(Cc2cc(O)c(O)cc2O)C1 ZINC001205725667 846617265 /nfs/dbraw/zinc/61/72/65/846617265.db2.gz JQKGSJRWIPKKCE-CQSZACIVSA-N 1 1 282.340 0.479 20 10 CCCDMO COc1ccc(O)c([C@@H](C)NC[C@H](O)C[NH+](C)C)c1 ZINC000717404008 848255758 /nfs/dbraw/zinc/25/57/58/848255758.db2.gz LBUIKXKJIHRYAV-MNOVXSKESA-N 1 1 268.357 0.974 20 10 CCCDMO COc1cc(CN2CC3(CC[N@@H+]3C)C2)c(O)cc1O ZINC001276090298 848920579 /nfs/dbraw/zinc/92/05/79/848920579.db2.gz ASWRDILPLHLJTC-UHFFFAOYSA-N 1 1 264.325 0.996 20 10 CCCDMO COc1cc(CN2CC3(CC[N@H+]3C)C2)c(O)cc1O ZINC001276090298 848920582 /nfs/dbraw/zinc/92/05/82/848920582.db2.gz ASWRDILPLHLJTC-UHFFFAOYSA-N 1 1 264.325 0.996 20 10 CCCDMO C[C@@]1(CO)CC[N@@H+](Cc2ccccc2O)C[C@H]1O ZINC001203550251 897683490 /nfs/dbraw/zinc/68/34/90/897683490.db2.gz OFXLTMQZWSMOSC-KGLIPLIRSA-N 1 1 251.326 0.957 20 10 CCCDMO CC[NH2+]CC(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC001337069565 921174322 /nfs/dbraw/zinc/17/43/22/921174322.db2.gz XDENEDOCOJZRQT-UHFFFAOYSA-N 1 1 290.411 0.664 20 10 CCCDMO CC[N@@H+]1CCO[C@H](C(=O)NCc2c(O)cccc2O)C1 ZINC001304053997 908137170 /nfs/dbraw/zinc/13/71/70/908137170.db2.gz ZMSBMQILBBERMU-ZDUSSCGKSA-N 1 1 280.324 0.435 20 10 CCCDMO CC[N@H+]1CCO[C@H](C(=O)NCc2c(O)cccc2O)C1 ZINC001304053997 908137171 /nfs/dbraw/zinc/13/71/71/908137171.db2.gz ZMSBMQILBBERMU-ZDUSSCGKSA-N 1 1 280.324 0.435 20 10 CCCDMO C[N@H+]1CCC[C@H]1C(=O)NCc1cccc(O)c1O ZINC001347234903 924404231 /nfs/dbraw/zinc/40/42/31/924404231.db2.gz ROJXEAFLJWQDPN-JTQLQIEISA-N 1 1 250.298 0.808 20 10 CCCDMO CN(C)C(=O)NCC[N@@H+](C)Cc1ccc(N)cc1 ZINC001356083662 926342463 /nfs/dbraw/zinc/34/24/63/926342463.db2.gz XBXXTHKDOWMYIG-UHFFFAOYSA-N 1 1 250.346 0.972 20 10 CCCDMO C[C@@H](NC(=O)Cc1ccc(N)cc1)[C@@H]1C[N@@H+](C)CCN1C ZINC001356254831 926361771 /nfs/dbraw/zinc/36/17/71/926361771.db2.gz WUKYJRGUMUWYSU-DOMZBBRYSA-N 1 1 290.411 0.562 20 10 CCCDMO C[C@@H](NC(=O)Cc1ccc(N)cc1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001356254831 926361791 /nfs/dbraw/zinc/36/17/91/926361791.db2.gz WUKYJRGUMUWYSU-DOMZBBRYSA-N 1 1 290.411 0.562 20 10 CCCDMO C[C@@H](NC(=O)Cc1ccc(N)cc1)[C@@H]1CN(C)CC[N@H+]1C ZINC001356254831 926361801 /nfs/dbraw/zinc/36/18/01/926361801.db2.gz WUKYJRGUMUWYSU-DOMZBBRYSA-N 1 1 290.411 0.562 20 10 CCCDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CC[C@H](O)C2)cc1 ZINC000113503143 349813121 /nfs/dbraw/zinc/81/31/21/349813121.db2.gz PGVRJLSRFSIXHM-HNNXBMFYSA-N 1 1 291.395 0.778 20 10 CCCDMO C[N@@H+]1CCO[C@@H](C(=O)NCc2ccccc2O)C1 ZINC000085517030 349335130 /nfs/dbraw/zinc/33/51/30/349335130.db2.gz QZFIVWYXCFHIJK-GFCCVEGCSA-N 1 1 250.298 0.339 20 10 CCCDMO C[N@H+]1CCO[C@@H](C(=O)NCc2ccccc2O)C1 ZINC000085517030 349335132 /nfs/dbraw/zinc/33/51/32/349335132.db2.gz QZFIVWYXCFHIJK-GFCCVEGCSA-N 1 1 250.298 0.339 20 10 CCCDMO CCOc1cccc(C[N@@H+]2CCO[C@H](C(N)=O)C2)c1O ZINC000092735197 389030922 /nfs/dbraw/zinc/03/09/22/389030922.db2.gz GRGNBRDCBVQTOZ-LBPRGKRZSA-N 1 1 280.324 0.477 20 10 CCCDMO CCOc1cccc(C[N@H+]2CCO[C@H](C(N)=O)C2)c1O ZINC000092735197 389030927 /nfs/dbraw/zinc/03/09/27/389030927.db2.gz GRGNBRDCBVQTOZ-LBPRGKRZSA-N 1 1 280.324 0.477 20 10 CCCDMO CCOc1ccc(O)c(C[N@@H+]2C[C@@H](C)O[C@@H](C(N)=O)C2)c1 ZINC000092007936 389027381 /nfs/dbraw/zinc/02/73/81/389027381.db2.gz HVRHRYXWAAHYIF-QMTHXVAHSA-N 1 1 294.351 0.866 20 10 CCCDMO CCOc1ccc(O)c(C[N@H+]2C[C@@H](C)O[C@@H](C(N)=O)C2)c1 ZINC000092007936 389027383 /nfs/dbraw/zinc/02/73/83/389027383.db2.gz HVRHRYXWAAHYIF-QMTHXVAHSA-N 1 1 294.351 0.866 20 10 CCCDMO C[N@@H+](CCN1CCOCC1)Cc1cc2c(cc1O)OCO2 ZINC000118947354 389138645 /nfs/dbraw/zinc/13/86/45/389138645.db2.gz OPXXQLIDBGMFEI-UHFFFAOYSA-N 1 1 294.351 0.885 20 10 CCCDMO COC[C@H](CO)[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000280950614 328237558 /nfs/dbraw/zinc/23/75/58/328237558.db2.gz JPYMRDYDFHXNIP-ONGXEEELSA-N 1 1 283.324 0.837 20 10 CCCDMO CN(C)c1ccc(CNC(=O)[C@H]2COCC[NH2+]2)cc1 ZINC000088371663 522202125 /nfs/dbraw/zinc/20/21/25/522202125.db2.gz OSOPREVPQHBLRI-CYBMUJFWSA-N 1 1 263.341 0.357 20 10 CCCDMO Cc1ccc(O)c(C[NH+]2CCN(S(C)(=O)=O)CC2)c1 ZINC000134026964 525343248 /nfs/dbraw/zinc/34/32/48/525343248.db2.gz XNJPEGDQTWMZPZ-UHFFFAOYSA-N 1 1 284.381 0.778 20 10 CCCDMO C[NH+]1CCN(c2ccc(CNC3(C(N)=O)CC3)cc2)CC1 ZINC000792175545 581251035 /nfs/dbraw/zinc/25/10/35/581251035.db2.gz VTDNPDHBMXLSRZ-UHFFFAOYSA-N 1 1 288.395 0.546 20 10 CCCDMO CCOc1ccc(C[NH+]2CCN(CC(N)=O)CC2)c(O)c1 ZINC000768216587 581648547 /nfs/dbraw/zinc/64/85/47/581648547.db2.gz DJUOYUQTFVUGOW-UHFFFAOYSA-N 1 1 293.367 0.394 20 10 CCCDMO COc1cccc(O)c1C[N@H+]1CCCN(C(N)=O)CC1 ZINC000769226122 581678908 /nfs/dbraw/zinc/67/89/08/581678908.db2.gz SJHYYPMMMSBOMI-UHFFFAOYSA-N 1 1 279.340 0.987 20 10 CCCDMO COc1cccc(CNC(=O)CN2CC[NH+](C)CC2)c1O ZINC000732284130 581816757 /nfs/dbraw/zinc/81/67/57/581816757.db2.gz JOMIWBFWRUYADX-UHFFFAOYSA-N 1 1 293.367 0.264 20 10 CCCDMO COCC[N@@H+]1CC[C@@H](NC(=O)C2=CC(=O)CS2)C1 ZINC000732290134 581817674 /nfs/dbraw/zinc/81/76/74/581817674.db2.gz QBIHBOACNPTDLE-SECBINFHSA-N 1 1 270.354 0.904 20 10 CCCDMO COCC[N@H+]1CC[C@@H](NC(=O)C2=CC(=O)CS2)C1 ZINC000732290134 581817678 /nfs/dbraw/zinc/81/76/78/581817678.db2.gz QBIHBOACNPTDLE-SECBINFHSA-N 1 1 270.354 0.904 20 10 CCCDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768443582 582106661 /nfs/dbraw/zinc/10/66/61/582106661.db2.gz SXESTAHFVRSQKT-NOZJJQNGSA-N 1 1 293.319 0.813 20 10 CCCDMO COc1cc(C)cc(C[N@@H+]2CCO[C@H](CC(N)=O)C2)c1O ZINC000863325086 617175769 /nfs/dbraw/zinc/17/57/69/617175769.db2.gz SRRQYKXKBYORNX-GFCCVEGCSA-N 1 1 294.351 0.785 20 10 CCCDMO COc1cc(C)cc(C[N@H+]2CCO[C@H](CC(N)=O)C2)c1O ZINC000863325086 617175770 /nfs/dbraw/zinc/17/57/70/617175770.db2.gz SRRQYKXKBYORNX-GFCCVEGCSA-N 1 1 294.351 0.785 20 10 CCCDMO COc1cc(Cl)cc(C[N@H+]2C[C@@H](O)[C@H](CO)C2)c1O ZINC000839166799 617196309 /nfs/dbraw/zinc/19/63/09/617196309.db2.gz UEOIUYUECDYQIJ-GXSJLCMTSA-N 1 1 287.743 0.839 20 10 CCCDMO COc1cc(O)c(C[N@H+]2CC[C@@H](O)[C@@H](O)C2)cc1OC ZINC000877749444 617207715 /nfs/dbraw/zinc/20/77/15/617207715.db2.gz LOSVIWGGKMSTJY-PWSUYJOCSA-N 1 1 283.324 0.337 20 10 CCCDMO COc1ccc(C[N@H+]2CCC(CO)(CO)C2)c(O)c1OC ZINC000895434196 617249295 /nfs/dbraw/zinc/24/92/95/617249295.db2.gz RBNYGKRLOHOJGP-UHFFFAOYSA-N 1 1 297.351 0.586 20 10 CCCDMO COc1ccc(N2CC[C@@H]([NH2+][C@H]3CNCCOC3)C2)cc1 ZINC000925711907 617268031 /nfs/dbraw/zinc/26/80/31/617268031.db2.gz FTRIQTGWGAEQIE-KGLIPLIRSA-N 1 1 291.395 0.852 20 10 CCCDMO COC(=O)[C@H]1C[C@@H](O)C[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000843435183 616706973 /nfs/dbraw/zinc/70/69/73/616706973.db2.gz QWQAOWQTMIGCHE-CMPLNLGQSA-N 1 1 283.299 0.887 20 10 CCCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@H]2COCCN2)c1 ZINC000863545469 616918622 /nfs/dbraw/zinc/91/86/22/616918622.db2.gz SKKGPPJFYVJZBA-PWSUYJOCSA-N 1 1 294.351 0.818 20 10 CCCDMO COc1c(O)c(C[NH2+]C[C@@H]2COCCN2)ccc1[N+](=O)[O-] ZINC000863649756 617149184 /nfs/dbraw/zinc/14/91/84/617149184.db2.gz HWMQFQAYDOXSFN-SNVBAGLBSA-N 1 1 297.311 0.387 20 10 CCCDMO C[C@H]([NH2+]C[C@@]1(CO)COCCN1C)c1c(O)cccc1F ZINC000903280737 634550827 /nfs/dbraw/zinc/55/08/27/634550827.db2.gz WHJIOUHZCGNDNT-XHDPSFHLSA-N 1 1 298.358 0.875 20 10 CCCDMO C[C@@H]([NH2+]C[C@@]1(CO)COCCN1C)c1c(O)cccc1F ZINC000903280735 634551006 /nfs/dbraw/zinc/55/10/06/634551006.db2.gz WHJIOUHZCGNDNT-IAQYHMDHSA-N 1 1 298.358 0.875 20 10 CCCDMO Cc1cccc(C[N@H+]2CC[C@H](CS(N)(=O)=O)C2)c1O ZINC000897059643 632384361 /nfs/dbraw/zinc/38/43/61/632384361.db2.gz CTHPVZIMIIAOJM-NSHDSACASA-N 1 1 284.381 0.811 20 10 CCCDMO C[C@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)C[C@@H]1O ZINC000897684460 633229622 /nfs/dbraw/zinc/22/96/22/633229622.db2.gz PMVKJRHNJUAVFX-KWQFWETISA-N 1 1 251.282 0.934 20 10 CCCDMO Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)Cc1ccc(N)cc1 ZINC000843475492 643070196 /nfs/dbraw/zinc/07/01/96/643070196.db2.gz WWVDSRQJULDEBW-AWEZNQCLSA-N 1 1 299.378 0.718 20 10 CCCDMO O=C([C@H]1C[N@H+]2CCN1CCC2)N1Cc2cccc(O)c2C1 ZINC000871203830 646119494 /nfs/dbraw/zinc/11/94/94/646119494.db2.gz SGXKBHJVHDPERO-CQSZACIVSA-N 1 1 287.363 0.624 20 10 CCCDMO Cc1ccc(C[N@@H+]2CCO[C@H](C(N)=O)C2)c(O)c1 ZINC000876658227 646639037 /nfs/dbraw/zinc/63/90/37/646639037.db2.gz QHCRDSMCJXDARI-LBPRGKRZSA-N 1 1 250.298 0.387 20 10 CCCDMO Cc1ccc(C[N@H+]2CCO[C@H](C(N)=O)C2)c(O)c1 ZINC000876658227 646639041 /nfs/dbraw/zinc/63/90/41/646639041.db2.gz QHCRDSMCJXDARI-LBPRGKRZSA-N 1 1 250.298 0.387 20 10 CCCDMO Cc1ccc(C[N@H+]2CCN3C(=O)NC(=O)[C@H]3C2)c(O)c1 ZINC000877168009 646745511 /nfs/dbraw/zinc/74/55/11/646745511.db2.gz NMLQEVFKUUOZNN-LLVKDONJSA-N 1 1 275.308 0.437 20 10 CCCDMO COC(=O)[C@@H]1C[N@H+](C)CCN1Cc1cccc(C)c1O ZINC001231594372 805819277 /nfs/dbraw/zinc/81/92/77/805819277.db2.gz GFOQJBQOSHGDQJ-ZDUSSCGKSA-N 1 1 278.352 0.990 20 10 CCCDMO COC(=O)[C@@H]1C[N@@H+](C)CCN1Cc1cccc(C)c1O ZINC001231594372 805819286 /nfs/dbraw/zinc/81/92/86/805819286.db2.gz GFOQJBQOSHGDQJ-ZDUSSCGKSA-N 1 1 278.352 0.990 20 10 CCCDMO OC[C@H]1CC[N@@H+](Cc2cc(Cl)c(O)cc2O)C[C@@H]1O ZINC001232259992 805914873 /nfs/dbraw/zinc/91/48/73/805914873.db2.gz OFYQVGUUIMIBIV-OQPBUACISA-N 1 1 287.743 0.926 20 10 CCCDMO CN(C)c1ccc(C[N@H+]2C[C@H](O)[C@H](CO)C2)c(O)c1 ZINC001232836237 805985547 /nfs/dbraw/zinc/98/55/47/805985547.db2.gz MELKKYYHXBQQOM-FZMZJTMJSA-N 1 1 266.341 0.243 20 10 CCCDMO Oc1cc(C[NH+]2CC(C3COC3)C2)cc(O)c1O ZINC001233010183 806004491 /nfs/dbraw/zinc/00/44/91/806004491.db2.gz MTVQDPBBOGHHGX-UHFFFAOYSA-N 1 1 251.282 0.882 20 10 CCCDMO CC(=O)N(C)[C@@H]1CC[N@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233015743 806007360 /nfs/dbraw/zinc/00/73/60/806007360.db2.gz ZZBRDNQULMWVRG-LLVKDONJSA-N 1 1 280.324 0.856 20 10 CCCDMO CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233015743 806007371 /nfs/dbraw/zinc/00/73/71/806007371.db2.gz ZZBRDNQULMWVRG-LLVKDONJSA-N 1 1 280.324 0.856 20 10 CCCDMO [O-]c1ccc(F)c(F)c1C[N@@H+]1CC[C@H](CO)[C@H](O)C1 ZINC001233332562 806042570 /nfs/dbraw/zinc/04/25/70/806042570.db2.gz PEXDNZZGONAWQJ-PRHODGIISA-N 1 1 273.279 0.846 20 10 CCCDMO CC[N@@H+](CCO)CCNC(=O)Cc1ccc(O)c(O)c1 ZINC001138718676 799749400 /nfs/dbraw/zinc/74/94/00/799749400.db2.gz OSKLWRPLNRKSAB-UHFFFAOYSA-N 1 1 282.340 0.071 20 10 CCCDMO COC(=O)CN1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC001140055225 799878518 /nfs/dbraw/zinc/87/85/18/799878518.db2.gz OFISGRSRUZVWIG-UHFFFAOYSA-N 1 1 282.315 0.822 20 10 CCCDMO CN1CCOc2cc(C[N@H+]3CC[C@H](CO)[C@H](O)C3)ccc21 ZINC001141140247 799984686 /nfs/dbraw/zinc/98/46/86/799984686.db2.gz JUPVAASVYKMGSH-UKRRQHHQSA-N 1 1 292.379 0.690 20 10 CCCDMO COC(=O)[C@@H]1C[N@H+](Cc2ccccc2O)CCN1C(C)=O ZINC001203561524 803034373 /nfs/dbraw/zinc/03/43/73/803034373.db2.gz VSWMSSAEYZYETM-ZDUSSCGKSA-N 1 1 292.335 0.598 20 10 CCCDMO COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2O)CCN1C(C)=O ZINC001203561524 803034381 /nfs/dbraw/zinc/03/43/81/803034381.db2.gz VSWMSSAEYZYETM-ZDUSSCGKSA-N 1 1 292.335 0.598 20 10 CCCDMO COc1cccc(C[N@H+]2CC[C@H](CO)[C@H](O)C2)c1O ZINC001203585059 803035863 /nfs/dbraw/zinc/03/58/63/803035863.db2.gz LJMDVBJMHFHPPU-VXGBXAGGSA-N 1 1 267.325 0.576 20 10 CCCDMO COc1cccc(C[N@H+]2CC[C@@H](CO)[C@H](O)C2)c1O ZINC001203585055 803036349 /nfs/dbraw/zinc/03/63/49/803036349.db2.gz LJMDVBJMHFHPPU-NWDGAFQWSA-N 1 1 267.325 0.576 20 10 CCCDMO CCOc1cccc(C[N@@H+](C)C[C@H](O)CO)c1O ZINC001203603649 803037360 /nfs/dbraw/zinc/03/73/60/803037360.db2.gz VFOYOSNULZOPKK-NSHDSACASA-N 1 1 255.314 0.576 20 10 CCCDMO COCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(O)cc2O)C1 ZINC001204278154 803076340 /nfs/dbraw/zinc/07/63/40/803076340.db2.gz VQEUFBVOMYCCSE-GFCCVEGCSA-N 1 1 294.351 0.825 20 10 CCCDMO C[C@@]1(CO)CC[N@@H+](Cc2ccc(O)cc2O)C[C@@H]1O ZINC001204276949 803076895 /nfs/dbraw/zinc/07/68/95/803076895.db2.gz UQKZHWZCXHBOKP-KBPBESRZSA-N 1 1 267.325 0.663 20 10 CCCDMO O=C1C[N@H+](Cc2ccc(O)cc2O)C[C@@H]2CCCN12 ZINC001204277813 803077262 /nfs/dbraw/zinc/07/72/62/803077262.db2.gz BEBAXJAISZVBJT-NSHDSACASA-N 1 1 262.309 0.904 20 10 CCCDMO O=C1C[N@@H+](Cc2ccc(O)cc2O)C[C@@H]2CCCN12 ZINC001204277813 803077267 /nfs/dbraw/zinc/07/72/67/803077267.db2.gz BEBAXJAISZVBJT-NSHDSACASA-N 1 1 262.309 0.904 20 10 CCCDMO CN1CCN(c2ccc(CN3C[C@@H](F)[C@@H]([NH3+])C3)cc2)CC1 ZINC001204822536 803102925 /nfs/dbraw/zinc/10/29/25/803102925.db2.gz BYSJVUWTLQXEIZ-CVEARBPZSA-N 1 1 292.402 0.919 20 10 CCCDMO [NH3+][C@@H]1CN(Cc2cc(O)c(O)cc2O)CCC1(F)F ZINC001206685285 803278378 /nfs/dbraw/zinc/27/83/78/803278378.db2.gz ZTFMDJYUBIYKSO-LLVKDONJSA-N 1 1 274.267 0.972 20 10 CCCDMO C[N@H+]1C[C@@H]2CCN(Cc3cc(O)c(O)cc3O)[C@@H]2C1 ZINC001276516518 803367399 /nfs/dbraw/zinc/36/73/99/803367399.db2.gz FZTURLVDZQDNCY-GXSJLCMTSA-N 1 1 264.325 0.939 20 10 CCCDMO CN1C[C@@H]2CC[N@H+](Cc3cc(O)c(O)cc3O)[C@@H]2C1 ZINC001276516518 803367407 /nfs/dbraw/zinc/36/74/07/803367407.db2.gz FZTURLVDZQDNCY-GXSJLCMTSA-N 1 1 264.325 0.939 20 10 CCCDMO CN1C[C@@H]2CC[N@@H+](Cc3cc(O)c(O)cc3O)[C@@H]2C1 ZINC001276516518 803367415 /nfs/dbraw/zinc/36/74/15/803367415.db2.gz FZTURLVDZQDNCY-GXSJLCMTSA-N 1 1 264.325 0.939 20 10 CCCDMO COC(=O)Cc1ccc(C[NH+]2CC(C)(O)C2)c(O)c1 ZINC001249172467 807545828 /nfs/dbraw/zinc/54/58/28/807545828.db2.gz NCTGTXYSBOKVRY-UHFFFAOYSA-N 1 1 265.309 0.674 20 10 CCCDMO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(O)c(O)c1O ZINC001270067439 813610671 /nfs/dbraw/zinc/61/06/71/813610671.db2.gz IVMYYXMUAUNCAW-DTORHVGOSA-N 1 1 278.308 0.722 20 10 CCCDMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(O)c(O)c1O ZINC001270067439 813610674 /nfs/dbraw/zinc/61/06/74/813610674.db2.gz IVMYYXMUAUNCAW-DTORHVGOSA-N 1 1 278.308 0.722 20 10 CCCDMO CN1C[C@]2(CC[N@@H+](Cc3ccc(O)cc3O)C2)OCC1=O ZINC001272989000 818260719 /nfs/dbraw/zinc/26/07/19/818260719.db2.gz YFDCQUHYJNQMPS-HNNXBMFYSA-N 1 1 292.335 0.531 20 10 CCCDMO COc1cccc(C[N@H+]2CC[C@H](O)[C@@H](CO)C2)c1O ZINC001203585573 844221389 /nfs/dbraw/zinc/22/13/89/844221389.db2.gz PLIXZZFEKQPUEE-NEPJUHHUSA-N 1 1 267.325 0.576 20 10 CCCDMO COc1ccc(C[N@H+]2CCOC[C@H](O)C2)c(O)c1 ZINC001203620723 844437862 /nfs/dbraw/zinc/43/78/62/844437862.db2.gz HJMUNWDPFAHFET-LLVKDONJSA-N 1 1 253.298 0.594 20 10 CCCDMO C[C@@]1(CO)C[N@@H+](Cc2c(O)cc(O)cc2O)CC[C@H]1O ZINC001144503737 840069161 /nfs/dbraw/zinc/06/91/61/840069161.db2.gz BJVHBBMKJOVYBS-KGLIPLIRSA-N 1 1 283.324 0.369 20 10 CCCDMO C[C@@H]1C(=O)NCC[N@H+]1Cc1c(O)cc(O)cc1O ZINC001144508902 840072087 /nfs/dbraw/zinc/07/20/87/840072087.db2.gz CMFKMCGQHKMHFW-SSDOTTSWSA-N 1 1 252.270 0.124 20 10 CCCDMO C[C@@H]1C(=O)NCC[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144508902 840072096 /nfs/dbraw/zinc/07/20/96/840072096.db2.gz CMFKMCGQHKMHFW-SSDOTTSWSA-N 1 1 252.270 0.124 20 10 CCCDMO COc1ccc(O)c(C[N@@H+]2CCN3C(=O)COC[C@@H]3C2)c1 ZINC001203680164 844861471 /nfs/dbraw/zinc/86/14/71/844861471.db2.gz HUIYRJPKGNWQPE-LBPRGKRZSA-N 1 1 292.335 0.444 20 10 CCCDMO COc1ccc(O)c(C[N@H+]2CCN3C(=O)COC[C@@H]3C2)c1 ZINC001203680164 844861477 /nfs/dbraw/zinc/86/14/77/844861477.db2.gz HUIYRJPKGNWQPE-LBPRGKRZSA-N 1 1 292.335 0.444 20 10 CCCDMO CN1CCO[C@H]2C[N@@H+](Cc3cc(O)ccc3O)C[C@@H]21 ZINC001275419364 848716347 /nfs/dbraw/zinc/71/63/47/848716347.db2.gz WOJGBMRCKJUTBK-JSGCOSHPSA-N 1 1 264.325 0.613 20 10 CCCDMO CN(C)c1ccc(C[N@H+]2C[C@@H]3COC[C@H](C2)N3C)c(O)c1 ZINC001275585060 848768581 /nfs/dbraw/zinc/76/85/81/848768581.db2.gz MJOKKCCCUXYGTC-GASCZTMLSA-N 1 1 291.395 0.973 20 10 CCCDMO C[NH2+][C@H](C(=O)NCc1ccccc1O)c1cnn(C)c1 ZINC001326596337 914035263 /nfs/dbraw/zinc/03/52/63/914035263.db2.gz VHMPUTKOYZATJX-ZDUSSCGKSA-N 1 1 274.324 0.703 20 10 CCCDMO C[C@H](NC(=O)NCc1ccc(N)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC001336863466 921067282 /nfs/dbraw/zinc/06/72/82/921067282.db2.gz RGDXWDIXQTZKQR-FZMZJTMJSA-N 1 1 292.383 0.787 20 10 CCCDMO C[C@H](NC(=O)NCc1ccc(N)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC001336863466 921067288 /nfs/dbraw/zinc/06/72/88/921067288.db2.gz RGDXWDIXQTZKQR-FZMZJTMJSA-N 1 1 292.383 0.787 20 10 CCCDMO CNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cc(C)ccc2O)C1 ZINC000092068427 349482571 /nfs/dbraw/zinc/48/25/71/349482571.db2.gz AEEZSGGRMLHWLW-GFCCVEGCSA-N 1 1 284.381 0.824 20 10 CCCDMO CN(C)c1ccc(C[N@H+]2CC[C@H](NC(N)=O)C2)cc1 ZINC000271384555 353033567 /nfs/dbraw/zinc/03/35/67/353033567.db2.gz RXWXSNWKBUALQY-LBPRGKRZSA-N 1 1 262.357 0.995 20 10 CCCDMO COc1cc(O)c(C[N@H+]2CC[C@H](NC(N)=O)C2)cc1OC ZINC000272022948 353034146 /nfs/dbraw/zinc/03/41/46/353034146.db2.gz XUADAMVECKVPIF-JTQLQIEISA-N 1 1 295.339 0.652 20 10 CCCDMO Oc1cc2c(cc1C[N@H+]1CCN3CCOC[C@@H]3C1)OCO2 ZINC000368813464 357339089 /nfs/dbraw/zinc/33/90/89/357339089.db2.gz GVBSYXTYNDYMMB-LBPRGKRZSA-N 1 1 292.335 0.637 20 10 CCCDMO CCOc1cccc(C[N@@H+](CCO)CCCO)c1O ZINC000093323933 389036419 /nfs/dbraw/zinc/03/64/19/389036419.db2.gz VWINLDQUURBKLZ-UHFFFAOYSA-N 1 1 269.341 0.968 20 10 CCCDMO CC(C)[N@@H+](CC(N)=O)Cc1cc2c(cc1O)OCO2 ZINC000133020350 389229741 /nfs/dbraw/zinc/22/97/41/389229741.db2.gz MXWMYEHHLMCIQO-UHFFFAOYSA-N 1 1 266.297 0.817 20 10 CCCDMO Cc1cccc(C[N@H+]2CCC[C@H](S(N)(=O)=O)C2)c1O ZINC000372733909 389456029 /nfs/dbraw/zinc/45/60/29/389456029.db2.gz AFTOWFMGPGDHAV-LBPRGKRZSA-N 1 1 284.381 0.954 20 10 CCCDMO NC(=O)[C@H]1CN(Cc2cccc(Cl)c2O)CCO1 ZINC000179940926 389664491 /nfs/dbraw/zinc/66/44/91/389664491.db2.gz VHVIEFXSZDIYKX-SNVBAGLBSA-N 1 1 270.716 0.732 20 10 CCCDMO CCNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC000181556075 389688442 /nfs/dbraw/zinc/68/84/42/389688442.db2.gz ITXKRRQHMAIZKJ-GFCCVEGCSA-N 1 1 284.381 0.906 20 10 CCCDMO COc1cc(O)c(C[N@H+](C)CC(N)=O)cc1OC ZINC000271826287 286238833 /nfs/dbraw/zinc/23/88/33/286238833.db2.gz PVUYEUWAAXLFBT-UHFFFAOYSA-N 1 1 254.286 0.327 20 10 CCCDMO COc1cc(O)c(C[N@@H+](C)CC(N)=O)cc1OC ZINC000271826287 286238835 /nfs/dbraw/zinc/23/88/35/286238835.db2.gz PVUYEUWAAXLFBT-UHFFFAOYSA-N 1 1 254.286 0.327 20 10 CCCDMO C[C@H](O)C[N@@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000159484400 261186809 /nfs/dbraw/zinc/18/68/09/261186809.db2.gz HXXWYXVYBWYBOH-LBPRGKRZSA-N 1 1 279.384 0.681 20 10 CCCDMO COCC[N@H+]1CC[C@H](NC(=O)NCc2ccccc2O)C1 ZINC000265612552 523873042 /nfs/dbraw/zinc/87/30/42/523873042.db2.gz OILPQUHLWPXAGV-ZDUSSCGKSA-N 1 1 293.367 0.912 20 10 CCCDMO C[N@H+]1CC[C@H](CNC(=O)c2c(F)ccc(O)c2O)C1 ZINC000276599345 523981325 /nfs/dbraw/zinc/98/13/25/523981325.db2.gz QWMHQGGAERYVKS-MRVPVSSYSA-N 1 1 268.288 0.918 20 10 CCCDMO Cc1cc(O)c(C[N@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)cc1C ZINC000779433393 581185083 /nfs/dbraw/zinc/18/50/83/581185083.db2.gz YJPVLLIXUCXASB-LBPRGKRZSA-N 1 1 289.335 0.745 20 10 CCCDMO NS(=O)(=O)[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000785983969 581426050 /nfs/dbraw/zinc/42/60/50/581426050.db2.gz AHDVRYCLKTZGMT-SNVBAGLBSA-N 1 1 274.317 0.394 20 10 CCCDMO NS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000785983969 581426052 /nfs/dbraw/zinc/42/60/52/581426052.db2.gz AHDVRYCLKTZGMT-SNVBAGLBSA-N 1 1 274.317 0.394 20 10 CCCDMO CCOc1ccc(C[N@@H+]2CCO[C@@H](CO)C2)c(O)c1 ZINC000769395510 581686974 /nfs/dbraw/zinc/68/69/74/581686974.db2.gz IKGZFKIWBLVABN-CYBMUJFWSA-N 1 1 267.325 0.984 20 10 CCCDMO CCOc1ccc(C[N@H+]2CCO[C@@H](CO)C2)c(O)c1 ZINC000769395510 581686977 /nfs/dbraw/zinc/68/69/77/581686977.db2.gz IKGZFKIWBLVABN-CYBMUJFWSA-N 1 1 267.325 0.984 20 10 CCCDMO CC[N@@H+](CCO)CCNC(=O)C1=CC(=O)CS1 ZINC000769653914 581699233 /nfs/dbraw/zinc/69/92/33/581699233.db2.gz NFKIQWHCHGTRRT-UHFFFAOYSA-N 1 1 258.343 0.498 20 10 CCCDMO COc1cccc(O)c1C[N@H+](C)[C@H]1CCNC1=O ZINC000770379185 581741014 /nfs/dbraw/zinc/74/10/14/581741014.db2.gz IZAYLFMYDBLCLY-JTQLQIEISA-N 1 1 250.298 0.721 20 10 CCCDMO COc1cccc(O)c1C[N@@H+](C)[C@H]1CCNC1=O ZINC000770379185 581741017 /nfs/dbraw/zinc/74/10/17/581741017.db2.gz IZAYLFMYDBLCLY-JTQLQIEISA-N 1 1 250.298 0.721 20 10 CCCDMO Cc1ccc(O)c(C[N@H+]2CCN3C(=O)NC(=O)[C@H]3C2)c1 ZINC000761216029 581897326 /nfs/dbraw/zinc/89/73/26/581897326.db2.gz KTHRGQHHYAVOCA-LLVKDONJSA-N 1 1 275.308 0.437 20 10 CCCDMO COc1c(O)c(C[NH2+]CC2(CO)COC2)ccc1[N+](=O)[O-] ZINC000775033306 582009657 /nfs/dbraw/zinc/00/96/57/582009657.db2.gz LNIYOCXMSDJKQU-UHFFFAOYSA-N 1 1 298.295 0.408 20 10 CCCDMO CCOc1ccc(C[N@H+]2C[C@H](O)C[C@H]2CO)c(O)c1 ZINC000775995407 582048943 /nfs/dbraw/zinc/04/89/43/582048943.db2.gz PCFMGQZMLDEOSA-NWDGAFQWSA-N 1 1 267.325 0.718 20 10 CCCDMO CN1CC[C@@H]([N@@H+](C)Cc2cc3c(cc2O)OC[C@H]3O)C1=O ZINC000768445889 582106668 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COc1ccc(O)c(C[N@H+]2CCO[C@@H]([C@H](C)O)C2)c1 ZINC000840977879 617272747 /nfs/dbraw/zinc/27/27/47/617272747.db2.gz KUXXBWKYIJFZDO-IINYFYTJSA-N 1 1 267.325 0.982 20 10 CCCDMO COc1cccc(C[N@H+]2CCN(CCO)C[C@H]2C)c1O ZINC000825338650 617297325 /nfs/dbraw/zinc/29/73/25/617297325.db2.gz SKXYPKFLUHPLAS-GFCCVEGCSA-N 1 1 280.368 0.899 20 10 CCCDMO COc1cccc(CN2CC[N@H+](CCO)C[C@H]2C)c1O ZINC000825338650 617297327 /nfs/dbraw/zinc/29/73/27/617297327.db2.gz SKXYPKFLUHPLAS-GFCCVEGCSA-N 1 1 280.368 0.899 20 10 CCCDMO COc1cccc(CN2CC[N@@H+](CCO)C[C@H]2C)c1O ZINC000825338650 617297330 /nfs/dbraw/zinc/29/73/30/617297330.db2.gz SKXYPKFLUHPLAS-GFCCVEGCSA-N 1 1 280.368 0.899 20 10 CCCDMO COc1cccc(CNC(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)c1O ZINC000901128341 617299486 /nfs/dbraw/zinc/29/94/86/617299486.db2.gz XLWZTYBGPUTTKK-NHYWBVRUSA-N 1 1 294.351 0.472 20 10 CCCDMO COc1cccc(O)c1C[N@@H+]1CCO[C@H]([C@H](C)O)C1 ZINC000840978019 617305338 /nfs/dbraw/zinc/30/53/38/617305338.db2.gz OSWMRDYYZHMXQO-HZMBPMFUSA-N 1 1 267.325 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COC(=O)[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2O)CCO1 ZINC001232834940 805986142 /nfs/dbraw/zinc/98/61/42/805986142.db2.gz RDLZSFBMCQNZMH-CQSZACIVSA-N 1 1 294.351 0.832 20 10 CCCDMO CN1C[C@@H]2C[N@@H+](Cc3cc(O)c(O)c(O)c3)C[C@@H]2C1=O ZINC001233013302 806006042 /nfs/dbraw/zinc/00/60/42/806006042.db2.gz RIIZGQLQBSNRJL-ZJUUUORDSA-N 1 1 278.308 0.323 20 10 CCCDMO C[N@@H+](C1CN(Cc2cc(O)c(O)cc2O)C1)[C@@H]1CCOC1 ZINC001233485774 806062352 /nfs/dbraw/zinc/06/23/52/806062352.db2.gz KIITXGFGIXVABD-LLVKDONJSA-N 1 1 294.351 0.708 20 10 CCCDMO COC(=O)[C@H]1C[N@H+](C)CCN1Cc1cc(O)c(O)cc1O ZINC001233487149 806065260 /nfs/dbraw/zinc/06/52/60/806065260.db2.gz RXONRMREDPUJEI-SNVBAGLBSA-N 1 1 296.323 0.092 20 10 CCCDMO COC(=O)[C@H]1C[N@@H+](C)CCN1Cc1cc(O)c(O)cc1O ZINC001233487149 806065270 /nfs/dbraw/zinc/06/52/70/806065270.db2.gz RXONRMREDPUJEI-SNVBAGLBSA-N 1 1 296.323 0.092 20 10 CCCDMO COc1cccc(C[NH+]2CCN(C(N)=O)CC2)c1O ZINC000722179760 806313574 /nfs/dbraw/zinc/31/35/74/806313574.db2.gz 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CCOc1cccc(C[N@H+]2C[C@@H](O)[C@H](CO)C2)c1O ZINC001203603229 803037502 /nfs/dbraw/zinc/03/75/02/803037502.db2.gz LAGRWBZRNOKFSL-NWDGAFQWSA-N 1 1 267.325 0.576 20 10 CCCDMO COc1ccc(O)c(C[N@H+]2C[C@H](O)[C@@H](CO)C2)c1 ZINC001203670601 803040823 /nfs/dbraw/zinc/04/08/23/803040823.db2.gz UPCVKTQJCWKVOE-MFKMUULPSA-N 1 1 253.298 0.186 20 10 CCCDMO C[C@@]1(O)COCC[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203875543 803047520 /nfs/dbraw/zinc/04/75/20/803047520.db2.gz PLTLIHZBXGWFKG-ZDUSSCGKSA-N 1 1 253.298 0.681 20 10 CCCDMO C[C@@]1(O)COCC[N@@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203875543 803047529 /nfs/dbraw/zinc/04/75/29/803047529.db2.gz PLTLIHZBXGWFKG-ZDUSSCGKSA-N 1 1 253.298 0.681 20 10 CCCDMO OC[C@@H]1CC[N@@H+](Cc2ccc(O)cc2O)C[C@H]1O ZINC001204275807 803075012 /nfs/dbraw/zinc/07/50/12/803075012.db2.gz BSBXNRRJFZSKHX-GXFFZTMASA-N 1 1 253.298 0.273 20 10 CCCDMO C[N@H+]1C[C@H]2C[C@@H](C1)N(Cc1cc(O)c(O)cc1O)C2 ZINC001276516565 803368368 /nfs/dbraw/zinc/36/83/68/803368368.db2.gz HVPJHXYYEDUMPD-KOLCDFICSA-N 1 1 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C[N@H+]1CCC[C@@H]2CN(C(=O)c3cc(O)c(O)c(O)c3)C[C@H]21 ZINC001148588125 840854354 /nfs/dbraw/zinc/85/43/54/840854354.db2.gz OXUDYFUETULUIP-MWLCHTKSSA-N 1 1 292.335 0.970 20 10 CCCDMO CC[N@@H+]1CC[C@H]1C(=O)NCc1c(O)cccc1O ZINC001178918092 842939872 /nfs/dbraw/zinc/93/98/72/842939872.db2.gz XLDFSJPDYWZPJT-JTQLQIEISA-N 1 1 250.298 0.808 20 10 CCCDMO CC[N@H+]1CC[C@H]1C(=O)NCc1c(O)cccc1O ZINC001178918092 842939880 /nfs/dbraw/zinc/93/98/80/842939880.db2.gz XLDFSJPDYWZPJT-JTQLQIEISA-N 1 1 250.298 0.808 20 10 CCCDMO O=C1NCC[C@@]12CC[N@H+](Cc1ccc(O)c(O)c1)C2 ZINC001203874744 846890735 /nfs/dbraw/zinc/89/07/35/846890735.db2.gz CGFFJXCCVOYTTB-AWEZNQCLSA-N 1 1 262.309 0.810 20 10 CCCDMO COCC[N@H+]1CCC[C@H](NC(=O)c2cccc(O)c2O)C1 ZINC000399220581 854504059 /nfs/dbraw/zinc/50/40/59/854504059.db2.gz BSKAVCVZKTWTTR-NSHDSACASA-N 1 1 294.351 0.938 20 10 CCCDMO CN1CCN(c2ccc(CNC(=O)C(C)(C)[NH3+])cc2)CC1 ZINC001337069558 921175997 /nfs/dbraw/zinc/17/59/97/921175997.db2.gz WWXYINXAFLEXDE-UHFFFAOYSA-N 1 1 290.411 0.792 20 10 CCCDMO C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1cc(C(=O)[O-])ccc1O ZINC001593250570 994485719 /nfs/dbraw/zinc/48/57/19/994485719.db2.gz ULMPWLHNWYDQBR-BONVTDFDSA-N 1 1 294.351 0.808 20 10 CCCDMO C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1cc(C(=O)[O-])ccc1O ZINC001593250570 994485722 /nfs/dbraw/zinc/48/57/22/994485722.db2.gz ULMPWLHNWYDQBR-BONVTDFDSA-N 1 1 294.351 0.808 20 10 CCCDMO CN(C)c1[nH+]cc(CNC(=O)Cc2ccc(N)cc2)n1C ZINC000269245907 352831442 /nfs/dbraw/zinc/83/14/42/352831442.db2.gz DEKKDENXGLQQIK-UHFFFAOYSA-N 1 1 287.367 0.927 20 10 CCCDMO COc1cccc(C[N@H+]2C[C@H](O)C[C@H]2CO)c1O ZINC000364327343 357109172 /nfs/dbraw/zinc/10/91/72/357109172.db2.gz YFVJMFFRLRQWLZ-WDEREUQCSA-N 1 1 253.298 0.328 20 10 CCCDMO CNC(=O)NC(=O)C[N@@H+](C)Cc1ccccc1O ZINC000109770884 283351544 /nfs/dbraw/zinc/35/15/44/283351544.db2.gz VTBOPNRXFCQWLV-UHFFFAOYSA-N 1 1 251.286 0.280 20 10 CCCDMO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cc(C)ccc1O ZINC000093103300 389034461 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C[C@]1(C(N)=O)CC[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000794710235 581384684 /nfs/dbraw/zinc/38/46/84/581384684.db2.gz KKVACXFGJYHYNP-WFASDCNBSA-N 1 1 292.335 0.515 20 10 CCCDMO C[C@@]1(C(N)=O)CC[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000794710234 581384932 /nfs/dbraw/zinc/38/49/32/581384932.db2.gz KKVACXFGJYHYNP-SWLSCSKDSA-N 1 1 292.335 0.515 20 10 CCCDMO COc1cccc(O)c1C[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000770287198 581737873 /nfs/dbraw/zinc/73/78/73/581737873.db2.gz VXUVHPHWYOYLRT-SNVBAGLBSA-N 1 1 277.324 0.610 20 10 CCCDMO COc1cccc(O)c1C[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000770287198 581737876 /nfs/dbraw/zinc/73/78/76/581737876.db2.gz VXUVHPHWYOYLRT-SNVBAGLBSA-N 1 1 277.324 0.610 20 10 CCCDMO CCN(C)c1ccc(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)cc1 ZINC000773753370 581940663 /nfs/dbraw/zinc/94/06/63/581940663.db2.gz HSWYCKYPODEZQN-OKILXGFUSA-N 1 1 250.342 0.680 20 10 CCCDMO CCN(C)c1ccc(C[NH+]2CCN(C(=O)CO)CC2)cc1 ZINC000773807976 581942892 /nfs/dbraw/zinc/94/28/92/581942892.db2.gz 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615511913 /nfs/dbraw/zinc/51/19/13/615511913.db2.gz SUVDFFGEGQVXTC-UHFFFAOYSA-N 1 1 288.369 0.511 20 10 CCCDMO CCOc1ccc(O)c(C[N@@H+](C)CCS(N)(=O)=O)c1 ZINC000877827414 615511914 /nfs/dbraw/zinc/51/19/14/615511914.db2.gz SUVDFFGEGQVXTC-UHFFFAOYSA-N 1 1 288.369 0.511 20 10 CCCDMO C[N@@H+](Cc1cc2c(cc1O)OCO2)[C@]1(CO)CCOC1 ZINC000862427397 616165107 /nfs/dbraw/zinc/16/51/07/616165107.db2.gz XQEGDFVDSBDWNT-AWEZNQCLSA-N 1 1 281.308 0.704 20 10 CCCDMO COC(=O)[C@@]1(O)CC[N@@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000895702516 616560860 /nfs/dbraw/zinc/56/08/60/616560860.db2.gz POHUFZVQZFZJIQ-OAHLLOKOSA-N 1 1 295.335 0.819 20 10 CCCDMO COC(=O)CNC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1O ZINC000111235456 616601156 /nfs/dbraw/zinc/60/11/56/616601156.db2.gz GMIBLZYTQTUDNB-SNVBAGLBSA-N 1 1 280.324 0.502 20 10 CCCDMO COC(=O)CNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1O ZINC000841892116 616606472 /nfs/dbraw/zinc/60/64/72/616606472.db2.gz FDUJBVQGMHNCER-GFCCVEGCSA-N 1 1 292.335 0.646 20 10 CCCDMO COC[C@H]1C[C@@H](O)C[N@H+]1Cc1cccc(OC)c1O ZINC000846052983 616814233 /nfs/dbraw/zinc/81/42/33/616814233.db2.gz KNSYTFWUGMAVMI-VXGBXAGGSA-N 1 1 267.325 0.982 20 10 CCCDMO COc1c(O)c(C[N@H+]2C[C@@H](O)[C@H](OC)C2)ccc1[N+](=O)[O-] ZINC000825024561 617149263 /nfs/dbraw/zinc/14/92/63/617149263.db2.gz RCMRZQOTVZLJEO-GHMZBOCLSA-N 1 1 298.295 0.501 20 10 CCCDMO OC[C@@H]1C[N@H+](Cc2cc(F)cc(F)c2O)CC[C@@H]1O ZINC000895015795 631894728 /nfs/dbraw/zinc/89/47/28/631894728.db2.gz YYGVBUUWEOJUNE-CABZTGNLSA-N 1 1 273.279 0.846 20 10 CCCDMO OC[C@@H]1C[N@@H+](Cc2cc(F)cc(F)c2O)CC[C@@H]1O ZINC000895015795 631894730 /nfs/dbraw/zinc/89/47/30/631894730.db2.gz YYGVBUUWEOJUNE-CABZTGNLSA-N 1 1 273.279 0.846 20 10 CCCDMO C[C@]1(CO)C[C@@H](O)C[N@@H+]1Cc1cc(F)cc(F)c1O ZINC000895323734 632055844 /nfs/dbraw/zinc/05/58/44/632055844.db2.gz GTZSDCJVIVOTOO-ZWNOBZJWSA-N 1 1 273.279 0.988 20 10 CCCDMO C[C@]1(CO)C[C@@H](O)C[N@H+]1Cc1cc(F)cc(F)c1O ZINC000895323734 632055848 /nfs/dbraw/zinc/05/58/48/632055848.db2.gz 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/nfs/dbraw/zinc/84/07/97/646840797.db2.gz YTXKZMIKERZQEJ-PHIMTYICSA-N 1 1 255.289 0.564 20 10 CCCDMO Cc1cccc(C[N@H+]2CC[C@@H](CO)[C@H](O)C2)c1O ZINC001231590689 805819767 /nfs/dbraw/zinc/81/97/67/805819767.db2.gz DTMXFARJWNKKHI-QWHCGFSZSA-N 1 1 251.326 0.876 20 10 CCCDMO COc1cc(C[N@H+]2CC[C@@H](CO)C2)c(O)cc1O ZINC001231635702 805822282 /nfs/dbraw/zinc/82/22/82/805822282.db2.gz GVDLQZLGWXWFSK-SECBINFHSA-N 1 1 253.298 0.921 20 10 CCCDMO COc1cc(C[N@@H+]2CCCC[C@H]2C(N)=O)c(O)cc1O ZINC001231636083 805822761 /nfs/dbraw/zinc/82/27/61/805822761.db2.gz QJSJYUKMJZVGCJ-JTQLQIEISA-N 1 1 280.324 0.946 20 10 CCCDMO COc1cc(C[N@H+]2CCCC[C@H]2C(N)=O)c(O)cc1O ZINC001231636083 805822770 /nfs/dbraw/zinc/82/27/70/805822770.db2.gz QJSJYUKMJZVGCJ-JTQLQIEISA-N 1 1 280.324 0.946 20 10 CCCDMO Cc1cc(C)c(C[N@@H+]2C[C@H](CO)[C@H](O)C2)c(O)c1 ZINC001231842154 805861599 /nfs/dbraw/zinc/86/15/99/805861599.db2.gz KHOCCEUESVBSKY-BXUZGUMPSA-N 1 1 251.326 0.794 20 10 CCCDMO Oc1cc(O)c(CN2CC[NH+]([C@@H]3CCOC3)CC2)cc1O ZINC001233482474 806058539 /nfs/dbraw/zinc/05/85/39/806058539.db2.gz OVHXUNFPRMYMRI-GFCCVEGCSA-N 1 1 294.351 0.710 20 10 CCCDMO COC(=O)CC1C[NH+](Cc2cc(O)c(O)cc2O)C1 ZINC001233485597 806061501 /nfs/dbraw/zinc/06/15/01/806061501.db2.gz CMRCAQKZXFTAST-UHFFFAOYSA-N 1 1 267.281 0.798 20 10 CCCDMO CC(=O)N(C)[C@H]1CC[N@@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233487201 806064519 /nfs/dbraw/zinc/06/45/19/806064519.db2.gz UOHUEJDNCYDQMA-NSHDSACASA-N 1 1 280.324 0.856 20 10 CCCDMO COC(=O)[C@@H]1C[N@H+](Cc2c(C)cc(C)cc2O)C[C@@H]1N ZINC001236356768 806585674 /nfs/dbraw/zinc/58/56/74/806585674.db2.gz RPLLGEJGKYDMKS-OLZOCXBDSA-N 1 1 278.352 0.941 20 10 CCCDMO COC(=O)[C@@H]1C[N@@H+](Cc2c(C)cc(C)cc2O)C[C@@H]1N ZINC001236356768 806585681 /nfs/dbraw/zinc/58/56/81/806585681.db2.gz RPLLGEJGKYDMKS-OLZOCXBDSA-N 1 1 278.352 0.941 20 10 CCCDMO COC(=O)[C@@H]1CN(C)CCN1Cc1cccc(F)c1[O-] ZINC001138131048 799702829 /nfs/dbraw/zinc/70/28/29/799702829.db2.gz OCIXXMJMYFPVIY-LBPRGKRZSA-N 1 1 282.315 0.820 20 10 CCCDMO COC(=O)[C@H]1C[N@@H+](Cc2ccc(O)c(C)c2O)CCN1C ZINC001140747846 799940044 /nfs/dbraw/zinc/94/00/44/799940044.db2.gz NAXQJQYCYRIDIT-GFCCVEGCSA-N 1 1 294.351 0.695 20 10 CCCDMO C[C@@]1(CO)CC[N@@H+](Cc2cc(O)ccc2O)C[C@H]1O ZINC001141156124 799984937 /nfs/dbraw/zinc/98/49/37/799984937.db2.gz FZRUFVSRKGLSHN-KGLIPLIRSA-N 1 1 267.325 0.663 20 10 CCCDMO [NH3+][C@H](Cc1c[nH]cn1)C(=O)N1CCc2cccc(O)c2C1 ZINC001160872023 802036781 /nfs/dbraw/zinc/03/67/81/802036781.db2.gz GFIWYUZIQJLYHH-CYBMUJFWSA-N 1 1 286.335 0.570 20 10 CCCDMO N[C@H]1C[N@@H+](Cc2c(O)cc(O)cc2O)CCC1(F)F ZINC001206675134 802164488 /nfs/dbraw/zinc/16/44/88/802164488.db2.gz HEGXJPJNWZBOSQ-NSHDSACASA-N 1 1 274.267 0.972 20 10 CCCDMO C[C@@]1(CO)C[N@@H+](Cc2ccc(O)cc2O)CC[C@H]1O ZINC001204276808 803076744 /nfs/dbraw/zinc/07/67/44/803076744.db2.gz RZKKZUMZWIARMF-KGLIPLIRSA-N 1 1 267.325 0.663 20 10 CCCDMO COc1cc(C[N@H+]2CCc3nncn3CC2)cc(O)c1O ZINC001204346186 803081319 /nfs/dbraw/zinc/08/13/19/803081319.db2.gz GDGHAKOHNHECLX-UHFFFAOYSA-N 1 1 290.323 0.756 20 10 CCCDMO COc1cc(C[N@@H+]2CCc3nncn3CC2)cc(O)c1O ZINC001204346186 803081322 /nfs/dbraw/zinc/08/13/22/803081322.db2.gz GDGHAKOHNHECLX-UHFFFAOYSA-N 1 1 290.323 0.756 20 10 CCCDMO COC(=O)[C@@H]([NH3+])CCC(=O)NCc1c(C)cc(C)cc1O ZINC001220825344 804674236 /nfs/dbraw/zinc/67/42/36/804674236.db2.gz CXAQLZWROOQARP-LBPRGKRZSA-N 1 1 294.351 0.906 20 10 CCCDMO NC(=O)[C@H]1COCCC12C[NH+](Cc1ccc(O)c(O)c1)C2 ZINC001276914152 804986336 /nfs/dbraw/zinc/98/63/36/804986336.db2.gz OFIVVDYFRCTJOG-LLVKDONJSA-N 1 1 292.335 0.422 20 10 CCCDMO CC(C)(C)[NH2+]C[C@@H](O)CNCc1ccc(O)cc1O ZINC001253406382 808059341 /nfs/dbraw/zinc/05/93/41/808059341.db2.gz IVRLEOGKYTZBIA-LBPRGKRZSA-N 1 1 268.357 0.936 20 10 CCCDMO COC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccc(OC)c(OC)c1O ZINC001262372990 809294013 /nfs/dbraw/zinc/29/40/13/809294013.db2.gz JAEVSLOTPYNYOG-NWDGAFQWSA-N 1 1 297.351 0.991 20 10 CCCDMO CO[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000697293282 814760490 /nfs/dbraw/zinc/76/04/90/814760490.db2.gz GMXXPKCNYRYWSV-OCCSQVGLSA-N 1 1 297.376 0.523 20 10 CCCDMO OC[C@H]1C[C@H](F)C[N@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233483162 816324136 /nfs/dbraw/zinc/32/41/36/816324136.db2.gz PJWBCMUKSOZJRH-WPRPVWTQSA-N 1 1 271.288 0.956 20 10 CCCDMO OC[C@H]1C[C@H](F)C[N@@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233483162 816324143 /nfs/dbraw/zinc/32/41/43/816324143.db2.gz PJWBCMUKSOZJRH-WPRPVWTQSA-N 1 1 271.288 0.956 20 10 CCCDMO [NH3+]CC1CCN(Cc2cc(O)c(O)c(O)c2)CC1 ZINC001205046269 818272334 /nfs/dbraw/zinc/27/23/34/818272334.db2.gz AKKZIWOWVYBROG-UHFFFAOYSA-N 1 1 252.314 0.974 20 10 CCCDMO COc1ccc(O)c(CNC(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)c1 ZINC000822304680 821479009 /nfs/dbraw/zinc/47/90/09/821479009.db2.gz SRNZSXYQFLCODI-NHYWBVRUSA-N 1 1 294.351 0.472 20 10 CCCDMO C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCc1ccccc1O ZINC000828637473 821796380 /nfs/dbraw/zinc/79/63/80/821796380.db2.gz YODXOTQMCUTSQG-FZMZJTMJSA-N 1 1 264.325 0.464 20 10 CCCDMO COc1ccc(C[NH+]2CC(N(C)C3COC3)C2)c(O)c1 ZINC001203627758 844466959 /nfs/dbraw/zinc/46/69/59/844466959.db2.gz NKTFASJRYZGOEQ-UHFFFAOYSA-N 1 1 278.352 0.916 20 10 CCCDMO COC(=O)[C@@H]1CC[N@@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144504587 840068397 /nfs/dbraw/zinc/06/83/97/840068397.db2.gz WBBCFAIEKFOLNM-MRVPVSSYSA-N 1 1 267.281 0.798 20 10 CCCDMO C[C@@H](C(=O)NCC(=O)c1ccc(O)c(O)c1)[NH+]1CCCC1 ZINC001180583479 843217163 /nfs/dbraw/zinc/21/71/63/843217163.db2.gz ZNCBGZIEBVEFCR-JTQLQIEISA-N 1 1 292.335 0.881 20 10 CCCDMO COc1ccc(O)c(C[N@@H+]2CCOC[C@@H]2CC(N)=O)c1 ZINC001182423386 843809453 /nfs/dbraw/zinc/80/94/53/843809453.db2.gz DBTUNDHUIGNAKD-NSHDSACASA-N 1 1 280.324 0.477 20 10 CCCDMO COc1ccc(O)c(C[N@H+]2CCOC[C@@H]2CC(N)=O)c1 ZINC001182423386 843809463 /nfs/dbraw/zinc/80/94/63/843809463.db2.gz DBTUNDHUIGNAKD-NSHDSACASA-N 1 1 280.324 0.477 20 10 CCCDMO CN(C)c1ccc(C[N@H+]2CC[C@@H](O)[C@@H](CO)C2)cc1 ZINC001195213763 846481993 /nfs/dbraw/zinc/48/19/93/846481993.db2.gz HUCYEXJBLBKBBF-UKRRQHHQSA-N 1 1 264.369 0.928 20 10 CCCDMO CN(CC[N@@H+](C)CCO)C(=O)c1cccc(O)c1O ZINC000691249592 855583441 /nfs/dbraw/zinc/58/34/41/855583441.db2.gz KDZBGPYSEDCKFC-UHFFFAOYSA-N 1 1 268.313 0.094 20 10 CCCDMO C[N@H+]1CCC2(CN(Cc3c(O)cc(O)cc3O)C2)C1 ZINC001275112753 900996352 /nfs/dbraw/zinc/99/63/52/900996352.db2.gz OLNJNPMQJQMMQX-UHFFFAOYSA-N 1 1 264.325 0.941 20 10 CCCDMO CN1CCC2(C[NH+](Cc3c(O)cc(O)cc3O)C2)C1 ZINC001275112753 900996366 /nfs/dbraw/zinc/99/63/66/900996366.db2.gz OLNJNPMQJQMMQX-UHFFFAOYSA-N 1 1 264.325 0.941 20 10 CCCDMO Nc1ccc(C[N@H+]2CC[C@@H](S(N)(=O)=O)C2)cc1 ZINC001356083620 926342330 /nfs/dbraw/zinc/34/23/30/926342330.db2.gz VRJAXVUWNOJLBW-LLVKDONJSA-N 1 1 255.343 0.132 20 10 CCCDMO COCCOC[C@H](O)C[N@@H+](C)Cc1ccccc1O ZINC000294973481 199277477 /nfs/dbraw/zinc/27/74/77/199277477.db2.gz OOMOKILQRPKMAC-CYBMUJFWSA-N 1 1 269.341 0.848 20 10 CCCDMO C[N@@H+]1CCO[C@H](C(=O)NCc2ccc(O)c(O)c2)C1 ZINC000272335183 353053741 /nfs/dbraw/zinc/05/37/41/353053741.db2.gz NLDMQMUHWSWQGR-LBPRGKRZSA-N 1 1 266.297 0.045 20 10 CCCDMO C[N@H+]1CCO[C@H](C(=O)NCc2ccc(O)c(O)c2)C1 ZINC000272335183 353053744 /nfs/dbraw/zinc/05/37/44/353053744.db2.gz NLDMQMUHWSWQGR-LBPRGKRZSA-N 1 1 266.297 0.045 20 10 CCCDMO COCC[N@@H+](C)CCNC(=O)c1c(F)ccc(O)c1O ZINC000294826103 388993057 /nfs/dbraw/zinc/99/30/57/388993057.db2.gz HDZPXHSTNIGFPC-UHFFFAOYSA-N 1 1 286.303 0.545 20 10 CCCDMO CN(C)c1ccc(CNC(=O)[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000174440012 389521988 /nfs/dbraw/zinc/52/19/88/389521988.db2.gz HKGVGVPPQHJGPF-AWEZNQCLSA-N 1 1 277.368 0.699 20 10 CCCDMO CN(C)c1ccc(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000174440012 389521992 /nfs/dbraw/zinc/52/19/92/389521992.db2.gz HKGVGVPPQHJGPF-AWEZNQCLSA-N 1 1 277.368 0.699 20 10 CCCDMO C[C@H](C(=O)Nc1ccc(N)cc1)N1CC[NH+](C)CC1 ZINC000022154532 171361365 /nfs/dbraw/zinc/36/13/65/171361365.db2.gz ZCGGZYNUVYIVLG-LLVKDONJSA-N 1 1 262.357 0.843 20 10 CCCDMO COCC[N@@H+](C)CCCNC(=O)Cc1ccc(N)cc1 ZINC000262684058 523576992 /nfs/dbraw/zinc/57/69/92/523576992.db2.gz XCUWXSQAZKSNAW-UHFFFAOYSA-N 1 1 279.384 0.896 20 10 CCCDMO O=C(NCC[N@H+]1CCCOCC1)NCc1ccccc1O ZINC000275590093 526310135 /nfs/dbraw/zinc/31/01/35/526310135.db2.gz GDLIEYXOJPPWKB-UHFFFAOYSA-N 1 1 293.367 0.914 20 10 CCCDMO COc1ccc(O)c(CNC(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC000734016887 581540626 /nfs/dbraw/zinc/54/06/26/581540626.db2.gz LNOHDNDSQUASGD-SNVBAGLBSA-N 1 1 264.325 0.969 20 10 CCCDMO C[C@H]([NH2+]CC(=O)N1CCN(C)CC1)c1ccc(F)cc1O ZINC000756490178 581668427 /nfs/dbraw/zinc/66/84/27/581668427.db2.gz MBBAVQIQYZOYGK-NSHDSACASA-N 1 1 295.358 0.956 20 10 CCCDMO COc1ccc(C[N@H+]2C[C@H](CO)[C@H](CO)C2)c(O)c1OC ZINC000895862233 617251823 /nfs/dbraw/zinc/25/18/23/617251823.db2.gz WCXNCXVHKUAMCZ-TXEJJXNPSA-N 1 1 297.351 0.442 20 10 CCCDMO COc1ccc(N(C)CC[N@@H+](C)C[C@@H](O)CO)cc1 ZINC000930850691 617267174 /nfs/dbraw/zinc/26/71/74/617267174.db2.gz YHEICEYQWWDGHE-CYBMUJFWSA-N 1 1 268.357 0.416 20 10 CCCDMO COc1cccc(C[N@H+]2CCN(C)C[C@@H]2CO)c1O ZINC000877644325 617297368 /nfs/dbraw/zinc/29/73/68/617297368.db2.gz NHAGAZGVFFDFLB-GFCCVEGCSA-N 1 1 266.341 0.509 20 10 CCCDMO COc1cccc(CN2CC[N@H+](C)C[C@@H]2CO)c1O ZINC000877644325 617297369 /nfs/dbraw/zinc/29/73/69/617297369.db2.gz NHAGAZGVFFDFLB-GFCCVEGCSA-N 1 1 266.341 0.509 20 10 CCCDMO COc1cccc(CN2CC[N@@H+](C)C[C@@H]2CO)c1O ZINC000877644325 617297370 /nfs/dbraw/zinc/29/73/70/617297370.db2.gz NHAGAZGVFFDFLB-GFCCVEGCSA-N 1 1 266.341 0.509 20 10 CCCDMO COc1cccc(O)c1C[N@@H+](C)CCNC(C)=O ZINC000843426904 617304827 /nfs/dbraw/zinc/30/48/27/617304827.db2.gz DHRCQLVTWYGLRB-UHFFFAOYSA-N 1 1 252.314 0.969 20 10 CCCDMO COc1cccc(O)c1C[N@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000877749027 617305305 /nfs/dbraw/zinc/30/53/05/617305305.db2.gz PMABCYITWMANIS-NEPJUHHUSA-N 1 1 253.298 0.328 20 10 CCCDMO CCC[N@@H+](CC(=O)NC(N)=O)Cc1ccccc1O ZINC000130728817 614555974 /nfs/dbraw/zinc/55/59/74/614555974.db2.gz KLNQQAUHROTIIE-UHFFFAOYSA-N 1 1 265.313 0.799 20 10 CCCDMO CC[N@@H+]1CCO[C@@H](C(=O)NCc2ccc(O)cc2O)C1 ZINC000910950135 615171156 /nfs/dbraw/zinc/17/11/56/615171156.db2.gz CWXRJTFVRSRHJE-CYBMUJFWSA-N 1 1 280.324 0.435 20 10 CCCDMO CC[N@H+]1CCO[C@@H](C(=O)NCc2ccc(O)cc2O)C1 ZINC000910950135 615171157 /nfs/dbraw/zinc/17/11/57/615171157.db2.gz CWXRJTFVRSRHJE-CYBMUJFWSA-N 1 1 280.324 0.435 20 10 CCCDMO CCOc1ccc(C[N@H+]2CCC(CO)(CO)C2)c(O)c1 ZINC000827474500 615510092 /nfs/dbraw/zinc/51/00/92/615510092.db2.gz AVGWOXKFXIEFNI-UHFFFAOYSA-N 1 1 281.352 0.968 20 10 CCCDMO CCOc1cccc(C[N@@H+]2CCO[C@H](CC(N)=O)C2)c1O ZINC000862534805 615516263 /nfs/dbraw/zinc/51/62/63/615516263.db2.gz HPPYRTCVKDFMIG-GFCCVEGCSA-N 1 1 294.351 0.867 20 10 CCCDMO CCOc1cccc(C[N@H+]2CCO[C@H](CC(N)=O)C2)c1O ZINC000862534805 615516265 /nfs/dbraw/zinc/51/62/65/615516265.db2.gz HPPYRTCVKDFMIG-GFCCVEGCSA-N 1 1 294.351 0.867 20 10 CCCDMO CN(C)c1ccc(C[N@@H+]2CCO[C@@H](CC(N)=O)C2)cc1 ZINC000860012899 616014534 /nfs/dbraw/zinc/01/45/34/616014534.db2.gz WNJJPVIDDCUSMZ-AWEZNQCLSA-N 1 1 277.368 0.829 20 10 CCCDMO CN(C)c1ccc(C[N@H+]2CCO[C@@H](CC(N)=O)C2)cc1 ZINC000860012899 616014538 /nfs/dbraw/zinc/01/45/38/616014538.db2.gz WNJJPVIDDCUSMZ-AWEZNQCLSA-N 1 1 277.368 0.829 20 10 CCCDMO C[N@H+](CC(N)=O)Cc1ccc(N2CCOCC2)cc1 ZINC000015571676 616053183 /nfs/dbraw/zinc/05/31/83/616053183.db2.gz ULAQMYQKHKWKQO-UHFFFAOYSA-N 1 1 263.341 0.440 20 10 CCCDMO C[N@@H+](CC(N)=O)Cc1ccc(N2CCOCC2)cc1 ZINC000015571676 616053184 /nfs/dbraw/zinc/05/31/84/616053184.db2.gz ULAQMYQKHKWKQO-UHFFFAOYSA-N 1 1 263.341 0.440 20 10 CCCDMO C[N@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C[C@H](O)C[NH3+] ZINC000841092285 616164791 /nfs/dbraw/zinc/16/47/91/616164791.db2.gz MBAXOTVECZLRFV-SECBINFHSA-N 1 1 289.719 0.705 20 10 CCCDMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1Cc2cccc(O)c2C1 ZINC000913726877 616496842 /nfs/dbraw/zinc/49/68/42/616496842.db2.gz YTPDSDULWHXXFI-IAQYHMDHSA-N 1 1 276.336 0.690 20 10 CCCDMO COCCNCC[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000841048095 616510760 /nfs/dbraw/zinc/51/07/60/616510760.db2.gz LGOMANJQCDHUIJ-UHFFFAOYSA-N 1 1 284.356 0.735 20 10 CCCDMO COC(=O)[C@]1(O)CC[N@@H+](Cc2cc(C)ccc2O)C1 ZINC000895705729 616786776 /nfs/dbraw/zinc/78/67/76/616786776.db2.gz BAPSCBMLKQXYMO-AWEZNQCLSA-N 1 1 265.309 0.810 20 10 CCCDMO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@@H+](Cc3ccccc3O)C[C@H]21 ZINC000827389334 616834156 /nfs/dbraw/zinc/83/41/56/616834156.db2.gz NPKSSSWEHKMRAR-YUTCNCBUSA-N 1 1 297.376 0.636 20 10 CCCDMO COCC[N@@H+](C)CCNC(=O)NCc1c(O)cccc1F ZINC000916332772 616959496 /nfs/dbraw/zinc/95/94/96/616959496.db2.gz YULYMBOZYRZVTD-UHFFFAOYSA-N 1 1 299.346 0.909 20 10 CCCDMO COCCN(C)C[C@@H](O)C[N@@H+](C)Cc1ccccc1O ZINC000821391552 616965036 /nfs/dbraw/zinc/96/50/36/616965036.db2.gz OAYZCWRLLXZOFX-CQSZACIVSA-N 1 1 282.384 0.763 20 10 CCCDMO COCC[N@H+](C)C[C@@H](O)CN(C)Cc1ccccc1O ZINC000821391552 616965040 /nfs/dbraw/zinc/96/50/40/616965040.db2.gz OAYZCWRLLXZOFX-CQSZACIVSA-N 1 1 282.384 0.763 20 10 CCCDMO COCC[N@@H+](C)C[C@@H](O)CN(C)Cc1ccccc1O ZINC000821391552 616965043 /nfs/dbraw/zinc/96/50/43/616965043.db2.gz OAYZCWRLLXZOFX-CQSZACIVSA-N 1 1 282.384 0.763 20 10 CCCDMO CNS(=O)(=O)CC[NH2+][C@H](C)c1c(O)cccc1F ZINC000886597136 617022262 /nfs/dbraw/zinc/02/22/62/617022262.db2.gz XKRFPWOVDPWTPU-MRVPVSSYSA-N 1 1 276.333 0.731 20 10 CCCDMO C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)C[C@H]1O ZINC000897684461 633230086 /nfs/dbraw/zinc/23/00/86/633230086.db2.gz PMVKJRHNJUAVFX-LDYMZIIASA-N 1 1 251.282 0.934 20 10 CCCDMO Cc1ccc(O)c(CNC(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)c1 ZINC000913000887 636720179 /nfs/dbraw/zinc/72/01/79/636720179.db2.gz YVTHDKXYZVMRGL-DOMZBBRYSA-N 1 1 278.352 0.772 20 10 CCCDMO Cc1cc(C[N@@H+]2C[C@H](CO)[C@H](O)C2)ccc1N(C)C ZINC000839171448 640303427 /nfs/dbraw/zinc/30/34/27/640303427.db2.gz FZDMAQBNEBEFAZ-UKRRQHHQSA-N 1 1 264.369 0.846 20 10 CCCDMO Cc1cc(C[N@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)ccc1N(C)C ZINC000831744261 642390979 /nfs/dbraw/zinc/39/09/79/642390979.db2.gz JXKXSEZYEPMRCE-BETUJISGSA-N 1 1 287.363 0.765 20 10 CCCDMO Oc1cccc(Br)c1C[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000862246660 644989228 /nfs/dbraw/zinc/98/92/28/644989228.db2.gz MLTAUNGMURRCQE-PHIMTYICSA-N 1 1 288.141 0.692 20 10 CCCDMO Oc1cccc(Br)c1C[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000862246660 644989231 /nfs/dbraw/zinc/98/92/31/644989231.db2.gz MLTAUNGMURRCQE-PHIMTYICSA-N 1 1 288.141 0.692 20 10 CCCDMO OCC[NH+](CCO)Cc1cccc(Br)c1O ZINC000862430033 644999130 /nfs/dbraw/zinc/99/91/30/644999130.db2.gz OQFGPTYRZGBDMB-UHFFFAOYSA-N 1 1 290.157 0.941 20 10 CCCDMO Cc1ccc(O)c(CNC(=O)[C@@H](C)N2CC[NH+](C)CC2)c1 ZINC000862759601 645034400 /nfs/dbraw/zinc/03/44/00/645034400.db2.gz HAGOFQRKICHPMP-CYBMUJFWSA-N 1 1 291.395 0.953 20 10 CCCDMO Cc1ccc(C[N@H+]2CC[C@@H](S(N)(=O)=O)C2)c(O)c1 ZINC000877464047 646817873 /nfs/dbraw/zinc/81/78/73/646817873.db2.gz IZLQACAYYOTLEU-LLVKDONJSA-N 1 1 270.354 0.563 20 10 CCCDMO Cc1ccc(C[N@H+]2CC[C@H](O)[C@H](CO)C2)c(O)c1 ZINC000877592045 646826631 /nfs/dbraw/zinc/82/66/31/646826631.db2.gz KOYGEBORSJQYDO-STQMWFEESA-N 1 1 251.326 0.876 20 10 CCCDMO CN(C)C(=O)C1=NO[C@@H]2C[N@@H+](Cc3ccccc3O)C[C@H]12 ZINC001277441890 805578454 /nfs/dbraw/zinc/57/84/54/805578454.db2.gz RAFWZNKURWKWIO-WCQYABFASA-N 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/nfs/dbraw/zinc/51/37/01/806513701.db2.gz GJUXIHZJWBONBS-UHFFFAOYSA-N 1 1 273.764 0.774 20 10 CCCDMO CNC(=O)CC[N@@H+](C)Cc1cc(OC)cc(OC)c1O ZINC001237677278 806710237 /nfs/dbraw/zinc/71/02/37/806710237.db2.gz YTTRBCFRXYMFDD-UHFFFAOYSA-N 1 1 282.340 0.977 20 10 CCCDMO Cc1c(O)ccc(C[N@H+]2CC[C@H](O)[C@H](CO)C2)c1O ZINC001140744486 799937550 /nfs/dbraw/zinc/93/75/50/799937550.db2.gz ZBCKTWBYQTYWJO-AAEUAGOBSA-N 1 1 267.325 0.581 20 10 CCCDMO COC(=O)[C@H]1C[N@H+](C)CCN1Cc1ccc(O)c(C)c1O ZINC001140749731 799939101 /nfs/dbraw/zinc/93/91/01/799939101.db2.gz KWUZUBVKQGRBSG-GFCCVEGCSA-N 1 1 294.351 0.695 20 10 CCCDMO COC(=O)[C@H]1C[N@@H+](C)CCN1Cc1ccc(O)c(C)c1O ZINC001140749731 799939108 /nfs/dbraw/zinc/93/91/08/799939108.db2.gz KWUZUBVKQGRBSG-GFCCVEGCSA-N 1 1 294.351 0.695 20 10 CCCDMO NC(=O)[C@@]12C[C@@H]1C[N@@H+](Cc1cc(F)ccc1O)C2 ZINC001278254703 806792026 /nfs/dbraw/zinc/79/20/26/806792026.db2.gz DWNYQSWYDWCQTK-NOZJJQNGSA-N 1 1 250.273 0.839 20 10 CCCDMO COc1cc(O)c(C[N@@H+](C)C[C@H](O)CO)c(OC)c1 ZINC001141026094 799973897 /nfs/dbraw/zinc/97/38/97/799973897.db2.gz CKSIPKWIWALHMB-VIFPVBQESA-N 1 1 271.313 0.194 20 10 CCCDMO NC(=O)C[C@@H]1C[C@@H]2C[N@@H+](Cc3cc(F)ccc3O)C[C@@H]2O1 ZINC001278255183 806792591 /nfs/dbraw/zinc/79/25/91/806792591.db2.gz NTXPVOSOWJKPIW-OSMZGAPFSA-N 1 1 294.326 0.996 20 10 CCCDMO NC(=O)N1CC[NH+](Cc2ccc(O)cc2O)CC1 ZINC001204275375 803075095 /nfs/dbraw/zinc/07/50/95/803075095.db2.gz PPPABPZDXDAOJE-UHFFFAOYSA-N 1 1 251.286 0.294 20 10 CCCDMO COc1cc(C[N@@H+]2CC[C@H](CO)[C@H](O)C2)cc(O)c1O ZINC001204344183 803079294 /nfs/dbraw/zinc/07/92/94/803079294.db2.gz VSTUXQLJBZLELW-ZYHUDNBSSA-N 1 1 283.324 0.282 20 10 CCCDMO COc1cc(C[N@H+]2CC[C@H](CO)[C@H](O)C2)cc(O)c1O ZINC001204344183 803079301 /nfs/dbraw/zinc/07/93/01/803079301.db2.gz VSTUXQLJBZLELW-ZYHUDNBSSA-N 1 1 283.324 0.282 20 10 CCCDMO COc1cc(C[N@@H+]2CC[C@@H](O)[C@@H](CO)C2)cc(O)c1O ZINC001204343834 803079425 /nfs/dbraw/zinc/07/94/25/803079425.db2.gz SYEXXPPQCCDADU-GHMZBOCLSA-N 1 1 283.324 0.282 20 10 CCCDMO COc1cc(C[N@H+]2CC[C@@H](O)[C@@H](CO)C2)cc(O)c1O ZINC001204343834 803079431 /nfs/dbraw/zinc/07/94/31/803079431.db2.gz SYEXXPPQCCDADU-GHMZBOCLSA-N 1 1 283.324 0.282 20 10 CCCDMO COc1ccc(CN2CC[C@@H](O)[C@H]([NH3+])C2)c(O)c1Cl ZINC001206102269 803207987 /nfs/dbraw/zinc/20/79/87/803207987.db2.gz WBROWRWBZSYALD-NXEZZACHSA-N 1 1 286.759 0.948 20 10 CCCDMO CNC(=O)CC[N@@H+](C)Cc1ccc(OC)cc1O ZINC000179413183 803745307 /nfs/dbraw/zinc/74/53/07/803745307.db2.gz MWJMCVRZXHZDRP-UHFFFAOYSA-N 1 1 252.314 0.969 20 10 CCCDMO C[N@H+]1CCC[C@](O)(CC(=O)NCc2cccc(O)c2O)C1 ZINC001263895845 809601846 /nfs/dbraw/zinc/60/18/46/809601846.db2.gz HZBPRDUKALLIDE-HNNXBMFYSA-N 1 1 294.351 0.561 20 10 CCCDMO O=C1COC[C@@H]2C[N@H+](Cc3cc(O)ccc3O)CCN12 ZINC001141161760 811825161 /nfs/dbraw/zinc/82/51/61/811825161.db2.gz XDDALKKFGYBACQ-NSHDSACASA-N 1 1 278.308 0.141 20 10 CCCDMO O=C1COC[C@@H]2C[N@@H+](Cc3cc(O)ccc3O)CCN12 ZINC001141161760 811825168 /nfs/dbraw/zinc/82/51/68/811825168.db2.gz XDDALKKFGYBACQ-NSHDSACASA-N 1 1 278.308 0.141 20 10 CCCDMO COC(=O)[C@@H]1C[N@H+](Cc2ccc(C)cc2O)C[C@@H]1N ZINC001236352048 817282627 /nfs/dbraw/zinc/28/26/27/817282627.db2.gz VCJIYHVIWXFWMB-NEPJUHHUSA-N 1 1 264.325 0.633 20 10 CCCDMO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(C)cc2O)C[C@@H]1N ZINC001236352048 817282630 /nfs/dbraw/zinc/28/26/30/817282630.db2.gz VCJIYHVIWXFWMB-NEPJUHHUSA-N 1 1 264.325 0.633 20 10 CCCDMO C[C@]1(CO)C[N@@H+](Cc2c(O)cc(O)cc2O)CC[C@H]1O ZINC001144503739 840069498 /nfs/dbraw/zinc/06/94/98/840069498.db2.gz BJVHBBMKJOVYBS-ZIAGYGMSSA-N 1 1 283.324 0.369 20 10 CCCDMO C[C@@H]1C[N@@H+](Cc2c(O)cc(O)cc2O)CCN1C ZINC001144514939 840074823 /nfs/dbraw/zinc/07/48/23/840074823.db2.gz YFMQWAIICZHZPO-SECBINFHSA-N 1 1 252.314 0.939 20 10 CCCDMO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cc(O)c(O)c(O)c1 ZINC001148581799 840850109 /nfs/dbraw/zinc/85/01/09/840850109.db2.gz AWUNVPZBZFHCBW-DTWKUNHWSA-N 1 1 280.324 0.968 20 10 CCCDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cc(O)c(O)c(O)c1 ZINC001148581799 840850127 /nfs/dbraw/zinc/85/01/27/840850127.db2.gz AWUNVPZBZFHCBW-DTWKUNHWSA-N 1 1 280.324 0.968 20 10 CCCDMO COC(=O)C[C@H]1COCC[N@@H+]1Cc1ccc(O)cc1O ZINC001204280677 843290182 /nfs/dbraw/zinc/29/01/82/843290182.db2.gz LYBXWRYSPBAVRZ-NSHDSACASA-N 1 1 281.308 0.862 20 10 CCCDMO COC(=O)C[C@H]1COCC[N@H+]1Cc1ccc(O)cc1O ZINC001204280677 843290191 /nfs/dbraw/zinc/29/01/91/843290191.db2.gz LYBXWRYSPBAVRZ-NSHDSACASA-N 1 1 281.308 0.862 20 10 CCCDMO [NH3+][C@@H]1CCN(Cc2cccc(Cl)c2O)C[C@H]1O ZINC001205967439 848159682 /nfs/dbraw/zinc/15/96/82/848159682.db2.gz OOZIRNMZTZSZLI-GHMZBOCLSA-N 1 1 256.733 0.940 20 10 CCCDMO CN(C)C(=O)CN1C[C@H]2C[C@@H](C1)[N@H+]2Cc1ccccc1O ZINC001275267409 848681208 /nfs/dbraw/zinc/68/12/08/848681208.db2.gz NIJWJKSGCAOBMP-OKILXGFUSA-N 1 1 289.379 0.739 20 10 CCCDMO CN(C)C(=O)CN1C[C@H]2C[C@@H](C1)[N@@H+]2Cc1ccccc1O ZINC001275267409 848681213 /nfs/dbraw/zinc/68/12/13/848681213.db2.gz 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/nfs/dbraw/zinc/66/06/53/925660653.db2.gz MKMQMNRQECOBJC-RYUDHWBXSA-N 1 1 265.309 0.809 20 10 CCCDMO CN(C)c1ccc(CNC(=O)C[N@H+](C)C2(CO)CC2)cc1 ZINC000298690069 353964020 /nfs/dbraw/zinc/96/40/20/353964020.db2.gz ZLJNPWADUUOMLU-UHFFFAOYSA-N 1 1 291.395 0.826 20 10 CCCDMO CN(C)c1ccc(CNC(=O)C[N@@H+](C)C2(CO)CC2)cc1 ZINC000298690069 353964022 /nfs/dbraw/zinc/96/40/22/353964022.db2.gz ZLJNPWADUUOMLU-UHFFFAOYSA-N 1 1 291.395 0.826 20 10 CCCDMO CC[C@@H](CO)[NH+]1CCN(C(=O)c2cccc(O)c2O)CC1 ZINC000185874758 388816333 /nfs/dbraw/zinc/81/63/33/388816333.db2.gz HUSXFNNHTPHTSI-NSHDSACASA-N 1 1 294.351 0.627 20 10 CCCDMO CCOc1ccc(O)c(C[N@@H+]2CCO[C@H](C(N)=O)C2)c1 ZINC000092735701 389032370 /nfs/dbraw/zinc/03/23/70/389032370.db2.gz VPUJLBBNYBDZTO-ZDUSSCGKSA-N 1 1 280.324 0.477 20 10 CCCDMO CCOc1ccc(O)c(C[N@H+]2CCO[C@H](C(N)=O)C2)c1 ZINC000092735701 389032373 /nfs/dbraw/zinc/03/23/73/389032373.db2.gz VPUJLBBNYBDZTO-ZDUSSCGKSA-N 1 1 280.324 0.477 20 10 CCCDMO O=C1NC(=O)[C@]2(CCC[N@H+](Cc3cc(F)ccc3O)C2)N1 ZINC000193467384 389070596 /nfs/dbraw/zinc/07/05/96/389070596.db2.gz IWPKRWDVWUIUDN-CQSZACIVSA-N 1 1 293.298 0.705 20 10 CCCDMO CC[N@@H+](Cc1cc2c(cc1O)OCO2)[C@@H]1CCNC1=O ZINC000281766723 389624202 /nfs/dbraw/zinc/62/42/02/389624202.db2.gz LWSPSCJFLFMRTO-SNVBAGLBSA-N 1 1 278.308 0.831 20 10 CCCDMO CNC(=O)[C@H]1C[N@@H+](Cc2cccc(C)c2O)CCO1 ZINC000182462760 389709015 /nfs/dbraw/zinc/70/90/15/389709015.db2.gz ZSEHPLODWRTKBO-GFCCVEGCSA-N 1 1 264.325 0.647 20 10 CCCDMO COc1ccc(O)c(C[N@@H+]2CCO[C@H](C(N)=O)C2)c1 ZINC000179940742 389664074 /nfs/dbraw/zinc/66/40/74/389664074.db2.gz NYETUXCRRWCWGW-LBPRGKRZSA-N 1 1 266.297 0.087 20 10 CCCDMO COc1ccc(O)c(C[N@H+]2CCO[C@H](C(N)=O)C2)c1 ZINC000179940742 389664076 /nfs/dbraw/zinc/66/40/76/389664076.db2.gz NYETUXCRRWCWGW-LBPRGKRZSA-N 1 1 266.297 0.087 20 10 CCCDMO CS(=O)(=O)N[C@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000180176146 389667537 /nfs/dbraw/zinc/66/75/37/389667537.db2.gz ZXRMWUZBUZTETI-NSHDSACASA-N 1 1 288.344 0.655 20 10 CCCDMO CS(=O)(=O)N[C@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000180176146 389667539 /nfs/dbraw/zinc/66/75/39/389667539.db2.gz ZXRMWUZBUZTETI-NSHDSACASA-N 1 1 288.344 0.655 20 10 CCCDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CCC[C@@H]2CO)cc1 ZINC000270942353 328194091 /nfs/dbraw/zinc/19/40/91/328194091.db2.gz MYHCUBWMSIHPFS-OAHLLOKOSA-N 1 1 291.395 0.826 20 10 CCCDMO CCN(CC)c1ccc(CNC(=O)[C@H]([NH3+])CC(N)=O)cc1 ZINC000269741072 517643106 /nfs/dbraw/zinc/64/31/06/517643106.db2.gz VOLMTGPZMDEDPH-CYBMUJFWSA-N 1 1 292.383 0.352 20 10 CCCDMO CN(C)c1ccc(C[N@H+]2C[C@@H](O)C[C@H]2CO)cc1F ZINC000274940222 522183326 /nfs/dbraw/zinc/18/33/26/522183326.db2.gz QHLUVAFVKCXOKO-RYUDHWBXSA-N 1 1 268.332 0.819 20 10 CCCDMO CO[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)C[C@@H]1OC ZINC000234841950 523739178 /nfs/dbraw/zinc/73/91/78/523739178.db2.gz FAESLCIYYULKIG-OKILXGFUSA-N 1 1 281.308 0.967 20 10 CCCDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)Cc1ccc(N)cc1 ZINC000225311372 523885019 /nfs/dbraw/zinc/88/50/19/523885019.db2.gz GLBMGZHURGIGPX-AWEZNQCLSA-N 1 1 276.384 0.173 20 10 CCCDMO COC[C@H](CO)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000793325822 581294920 /nfs/dbraw/zinc/29/49/20/581294920.db2.gz VYVKTWRCFHVIRW-HNNXBMFYSA-N 1 1 293.411 0.535 20 10 CCCDMO COCC[N@H+](Cc1c(O)cccc1OC)[C@@H](C)C(N)=O ZINC000769336770 581684927 /nfs/dbraw/zinc/68/49/27/581684927.db2.gz AQSHVIHRWNERNR-JTQLQIEISA-N 1 1 282.340 0.723 20 10 CCCDMO COCC[N@@H+](Cc1c(O)cccc1OC)[C@@H](C)C(N)=O ZINC000769336770 581684929 /nfs/dbraw/zinc/68/49/29/581684929.db2.gz AQSHVIHRWNERNR-JTQLQIEISA-N 1 1 282.340 0.723 20 10 CCCDMO COc1cccc(C[N@@H+]2CCN3C(=O)NC(=O)[C@H]3C2)c1O ZINC000761214596 581896578 /nfs/dbraw/zinc/89/65/78/581896578.db2.gz CERMUYLSZPTDNV-SNVBAGLBSA-N 1 1 291.307 0.137 20 10 CCCDMO COc1cccc(C[N@H+]2CCN3C(=O)NC(=O)[C@H]3C2)c1O ZINC000761214596 581896580 /nfs/dbraw/zinc/89/65/80/581896580.db2.gz CERMUYLSZPTDNV-SNVBAGLBSA-N 1 1 291.307 0.137 20 10 CCCDMO C[N@H+]1CC[C@H](C(=O)NCCc2ccc(O)c(O)c2)C1 ZINC000762268355 581937441 /nfs/dbraw/zinc/93/74/41/581937441.db2.gz CVOUEXIUHZMWQW-NSHDSACASA-N 1 1 264.325 0.708 20 10 CCCDMO COc1ccc(O)c(C[N@@H+]2C[C@@H](CO)OC[C@H]2C)c1 ZINC000775742351 582036321 /nfs/dbraw/zinc/03/63/21/582036321.db2.gz UMTWAXKKEBXLSJ-MFKMUULPSA-N 1 1 267.325 0.982 20 10 CCCDMO COc1ccc(O)c(C[N@H+]2C[C@@H](CO)OC[C@H]2C)c1 ZINC000775742351 582036325 /nfs/dbraw/zinc/03/63/25/582036325.db2.gz UMTWAXKKEBXLSJ-MFKMUULPSA-N 1 1 267.325 0.982 20 10 CCCDMO COC[C@@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)CCO1 ZINC000768448651 582106749 /nfs/dbraw/zinc/10/67/49/582106749.db2.gz VSLCCAMCOSHKDZ-SMDDNHRTSA-N 1 1 295.335 0.665 20 10 CCCDMO COC[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)CCO1 ZINC000768448651 582106750 /nfs/dbraw/zinc/10/67/50/582106750.db2.gz VSLCCAMCOSHKDZ-SMDDNHRTSA-N 1 1 295.335 0.665 20 10 CCCDMO COc1ccc(N(C)CC[N@@H+](C)[C@H](C)C(N)=O)cc1 ZINC000844400049 617267214 /nfs/dbraw/zinc/26/72/14/617267214.db2.gz UDRJEUSLASLDEA-LLVKDONJSA-N 1 1 265.357 0.937 20 10 CCCDMO COc1ccc(O)c(C[N@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)c1 ZINC000877719678 617272682 /nfs/dbraw/zinc/27/26/82/617272682.db2.gz FHAXETMKLBSRPV-TXEJJXNPSA-N 1 1 290.319 0.447 20 10 CCCDMO CCOc1ccc(O)c(CN(C)C[C@@H](O)C[NH3+])c1 ZINC000841091770 615511974 /nfs/dbraw/zinc/51/19/74/615511974.db2.gz FVIUBPMLTMRCSP-NSHDSACASA-N 1 1 254.330 0.542 20 10 CCCDMO CCOc1cccc(C[N@H+]2CC[C@@](O)(C(=O)OC)C2)c1O ZINC000895708568 615516299 /nfs/dbraw/zinc/51/62/99/615516299.db2.gz SLOOKXCUFLVBSX-HNNXBMFYSA-N 1 1 295.335 0.901 20 10 CCCDMO CN(C)c1ccc(C[N@H+]2CC[C@H](CO)[C@H](O)C2)cc1 ZINC000808751106 616014251 /nfs/dbraw/zinc/01/42/51/616014251.db2.gz RERWXMMXUDJYRH-UKRRQHHQSA-N 1 1 264.369 0.928 20 10 CCCDMO C[N@H+](Cc1cc(Cl)cc(F)c1[O-])C[C@@H](O)C[NH3+] ZINC000841092542 616164641 /nfs/dbraw/zinc/16/46/41/616164641.db2.gz OCAUMXMORLRJEQ-VIFPVBQESA-N 1 1 262.712 0.936 20 10 CCCDMO C[N@H+]1CCC[C@](O)(CC(=O)NCc2c(O)cccc2F)C1 ZINC000928710716 616218741 /nfs/dbraw/zinc/21/87/41/616218741.db2.gz WFEMSDZASWMWJQ-HNNXBMFYSA-N 1 1 296.342 0.994 20 10 CCCDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(O)c3O)C[C@@H]21 ZINC000834310034 616329304 /nfs/dbraw/zinc/32/93/04/616329304.db2.gz BRHHNRJRKHRICO-KOLCDFICSA-N 1 1 262.309 0.874 20 10 CCCDMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NCc1ccc(O)c(O)c1 ZINC000901132168 616500095 /nfs/dbraw/zinc/50/00/95/616500095.db2.gz RTAQHFBMWCPGLH-QMTHXVAHSA-N 1 1 280.324 0.169 20 10 CCCDMO CO[C@@H]1C[N@@H+](Cc2cc(F)cc(F)c2[O-])C[C@H]1O ZINC000894916084 616776364 /nfs/dbraw/zinc/77/63/64/616776364.db2.gz YSYBKNJLKGIRFJ-GHMZBOCLSA-N 1 1 259.252 0.862 20 10 CCCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCOC[C@H]2O)c1 ZINC000872140840 616918287 /nfs/dbraw/zinc/91/82/87/616918287.db2.gz ABKYSWHUHOJVIB-GAJTVXKRSA-N 1 1 295.335 0.979 20 10 CCCDMO COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2C[N@H+](C)CCO2)c1 ZINC000085521482 623216339 /nfs/dbraw/zinc/21/63/39/623216339.db2.gz KOXLYIYCBKRTIH-QMTHXVAHSA-N 1 1 294.351 0.909 20 10 CCCDMO COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2C[N@@H+](C)CCO2)c1 ZINC000085521482 623216353 /nfs/dbraw/zinc/21/63/53/623216353.db2.gz KOXLYIYCBKRTIH-QMTHXVAHSA-N 1 1 294.351 0.909 20 10 CCCDMO [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000219824765 623830287 /nfs/dbraw/zinc/83/02/87/623830287.db2.gz VLEUIJBNLSPBPF-NSHDSACASA-N 1 1 295.358 0.818 20 10 CCCDMO CC[N@H+]1CC[C@H](NC(=O)c2cc(OC)nc(OC)c2)C1 ZINC001015104025 650526687 /nfs/dbraw/zinc/52/66/87/650526687.db2.gz PJDZAUUSUFRJDS-NSHDSACASA-N 1 1 279.340 0.923 20 10 CCCDMO Oc1cc2c(cc1CNC[C@@H]1C[C@H](F)C[NH2+]1)OCO2 ZINC000841080708 642801918 /nfs/dbraw/zinc/80/19/18/642801918.db2.gz XYOCSDYIIREARH-UWVGGRQHSA-N 1 1 268.288 0.911 20 10 CCCDMO O=C(NCC[N@H+]1CC[C@H](O)C1)C1=CC(=O)CS1 ZINC000863833677 645134633 /nfs/dbraw/zinc/13/46/33/645134633.db2.gz TYYDJURASHBIQT-QMMMGPOBSA-N 1 1 256.327 0.250 20 10 CCCDMO O=C(NCC[N@@H+]1CC[C@H](O)C1)C1=CC(=O)CS1 ZINC000863833677 645134634 /nfs/dbraw/zinc/13/46/34/645134634.db2.gz TYYDJURASHBIQT-QMMMGPOBSA-N 1 1 256.327 0.250 20 10 CCCDMO C[C@H](O)[C@H](O)C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000865738862 645407681 /nfs/dbraw/zinc/40/76/81/645407681.db2.gz KXKORXMRXPDGFT-XJKSGUPXSA-N 1 1 293.411 0.270 20 10 CCCDMO Cc1cccc(O)c1C[N@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000876799218 646667534 /nfs/dbraw/zinc/66/75/34/646667534.db2.gz BAPJILOBWHOBFB-NSHDSACASA-N 1 1 261.325 0.910 20 10 CCCDMO Cc1ccc(C[N@H+]2CC[C@@H]3OCC(=O)N[C@H]3C2)c(O)c1 ZINC000877578170 646825750 /nfs/dbraw/zinc/82/57/50/646825750.db2.gz XIRHPUSLQLJINL-JSGCOSHPSA-N 1 1 276.336 0.790 20 10 CCCDMO CN1CCN(C(=O)C[N@@H+](C)Cc2ccccc2O)CC1 ZINC000093193198 649733013 /nfs/dbraw/zinc/73/30/13/649733013.db2.gz XVBACSFFJLSNKX-UHFFFAOYSA-N 1 1 277.368 0.598 20 10 CCCDMO Cc1cccc(C[N@H+]2CC[C@H](O)[C@H](CO)C2)c1O ZINC001231590702 805821046 /nfs/dbraw/zinc/82/10/46/805821046.db2.gz FIWCLZSBQQWASW-STQMWFEESA-N 1 1 251.326 0.876 20 10 CCCDMO COc1cc(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)c(O)cc1O ZINC001231638146 805825754 /nfs/dbraw/zinc/82/57/54/805825754.db2.gz VTVOWRBYTOSAJH-LLVKDONJSA-N 1 1 292.335 0.913 20 10 CCCDMO COc1cc(C[N@H+]2CCN3C(=O)CC[C@@H]3C2)c(O)cc1O ZINC001231638146 805825763 /nfs/dbraw/zinc/82/57/63/805825763.db2.gz VTVOWRBYTOSAJH-LLVKDONJSA-N 1 1 292.335 0.913 20 10 CCCDMO COc1cc(N(C)C)ccc1C[N@H+]1C[C@@H](O)[C@H](CO)C1 ZINC001231849720 805863210 /nfs/dbraw/zinc/86/32/10/805863210.db2.gz XJDOGONFORBAID-GXTWGEPZSA-N 1 1 280.368 0.546 20 10 CCCDMO COc1cc(O)c(C[N@@H+]2C[C@H](CO)[C@H](O)C2)cc1Cl ZINC001232267148 805916404 /nfs/dbraw/zinc/91/64/04/805916404.db2.gz XVVYGHJWZWFMPQ-BXKDBHETSA-N 1 1 287.743 0.839 20 10 CCCDMO OC[C@@H]1C[N@@H+](Cc2cc(Cl)c(O)cc2O)CC[C@H]1O ZINC001232260529 805914450 /nfs/dbraw/zinc/91/44/50/805914450.db2.gz RFUQOVIEOAQKNA-GXSJLCMTSA-N 1 1 287.743 0.926 20 10 CCCDMO CN(C)c1ccc(C[N@@H+](C)C[C@H](O)CO)c(O)c1 ZINC001232838182 805985490 /nfs/dbraw/zinc/98/54/90/805985490.db2.gz HNHPOMDONYIERX-LBPRGKRZSA-N 1 1 254.330 0.243 20 10 CCCDMO CN(C)c1ccc(C[N@H+]2C[C@H]3CN(C)C(=O)[C@H]3C2)c(O)c1 ZINC001232838681 805985614 /nfs/dbraw/zinc/98/56/14/805985614.db2.gz SUHRAWYEJFPODU-OCCSQVGLSA-N 1 1 289.379 0.978 20 10 CCCDMO CNC(=O)N1CC[NH+](Cc2ccc(N(C)C)cc2O)CC1 ZINC001232840580 805987153 /nfs/dbraw/zinc/98/71/53/805987153.db2.gz CYQLNTOMTWCZKU-UHFFFAOYSA-N 1 1 292.383 0.915 20 10 CCCDMO COC(C[N@H+](C)Cc1cc(O)c(O)c(O)c1)OC ZINC001233015927 806006947 /nfs/dbraw/zinc/00/69/47/806006947.db2.gz CYORTHUALNEWFE-UHFFFAOYSA-N 1 1 257.286 0.854 20 10 CCCDMO COC(C[N@@H+](C)Cc1cc(O)c(O)c(O)c1)OC ZINC001233015927 806006957 /nfs/dbraw/zinc/00/69/57/806006957.db2.gz CYORTHUALNEWFE-UHFFFAOYSA-N 1 1 257.286 0.854 20 10 CCCDMO C[N@@H+]1C[C@H]2CN(Cc3cc(O)c(O)c(O)c3)C[C@H]2C1 ZINC001233017433 806008187 /nfs/dbraw/zinc/00/81/87/806008187.db2.gz VGCMUHYWXAEXDD-PHIMTYICSA-N 1 1 264.325 0.797 20 10 CCCDMO C[N@@H+](C1CN(Cc2cc(O)c(O)cc2O)C1)[C@H]1CCOC1 ZINC001233485775 806061159 /nfs/dbraw/zinc/06/11/59/806061159.db2.gz KIITXGFGIXVABD-NSHDSACASA-N 1 1 294.351 0.708 20 10 CCCDMO C[N@@H+](CCC1OCCO1)Cc1cc(O)c(O)cc1O ZINC001233485737 806061883 /nfs/dbraw/zinc/06/18/83/806061883.db2.gz JDCKPTVVPBQXHE-UHFFFAOYSA-N 1 1 269.297 0.998 20 10 CCCDMO CCc1ccc(C[N@@H+]2C[C@H](CO)[C@H](O)C2)c(O)c1 ZINC001236783303 806609083 /nfs/dbraw/zinc/60/90/83/806609083.db2.gz JUSNSYDNNVXZCN-TZMCWYRMSA-N 1 1 251.326 0.740 20 10 CCCDMO CN1CCCc2cc(C[N@@H+](C)C[C@H](O)CO)ccc21 ZINC001138355329 799723904 /nfs/dbraw/zinc/72/39/04/799723904.db2.gz OAWQPZRSPOJPCX-AWEZNQCLSA-N 1 1 264.369 0.854 20 10 CCCDMO Cc1c(O)ccc(C[N@H+]2CCN3CCOC[C@@H]3C2)c1O ZINC001140743822 799938434 /nfs/dbraw/zinc/93/84/34/799938434.db2.gz AEWCDZZIECWZDQ-ZDUSSCGKSA-N 1 1 278.352 0.923 20 10 CCCDMO COC(=O)CN1CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141160047 799986413 /nfs/dbraw/zinc/98/64/13/799986413.db2.gz PYJUSPKSOYOWTQ-UHFFFAOYSA-N 1 1 280.324 0.388 20 10 CCCDMO C[N@@H+](C1CN(C(=O)Cc2ccc(N)cc2)C1)[C@H]1CCOC1 ZINC001161501005 802166044 /nfs/dbraw/zinc/16/60/44/802166044.db2.gz WPIYUQVAZOEFPC-AWEZNQCLSA-N 1 1 289.379 0.743 20 10 CCCDMO CCOc1cccc(C[N@H+]2CC[C@@H](CO)[C@@H](O)C2)c1O ZINC001203602234 803037845 /nfs/dbraw/zinc/03/78/45/803037845.db2.gz KIVKWXCCMVUACK-STQMWFEESA-N 1 1 281.352 0.966 20 10 CCCDMO OC[C@H]1CC[N@@H+](Cc2ccc(O)c(O)c2)C[C@@H]1O ZINC001203875539 803049241 /nfs/dbraw/zinc/04/92/41/803049241.db2.gz PKKFJLPHYJEDIO-MFKMUULPSA-N 1 1 253.298 0.273 20 10 CCCDMO CC(=O)N[C@H]1CC[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203881879 803050492 /nfs/dbraw/zinc/05/04/92/803050492.db2.gz WMOMXFTZMMOWGF-NSHDSACASA-N 1 1 250.298 0.808 20 10 CCCDMO CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203881879 803050498 /nfs/dbraw/zinc/05/04/98/803050498.db2.gz WMOMXFTZMMOWGF-NSHDSACASA-N 1 1 250.298 0.808 20 10 CCCDMO COc1cc(C)c(CN2CC[C@@H]([NH3+])[C@H](O)C2)c(O)c1 ZINC001205973193 803194251 /nfs/dbraw/zinc/19/42/51/803194251.db2.gz KQGYCCSHGSXVFQ-TZMCWYRMSA-N 1 1 266.341 0.603 20 10 CCCDMO C[C@@H]1C[C@@H](NC[C@@H](O)c2ccc(O)c(O)c2)CC[NH2+]1 ZINC001246076210 807142977 /nfs/dbraw/zinc/14/29/77/807142977.db2.gz YGJGFMFPEMAJHP-OLUVUFQESA-N 1 1 266.341 0.861 20 10 CCCDMO Cc1c(O)ccc(C[N@H+]2CCOC[C@](C)(O)C2)c1O ZINC001140744511 811378523 /nfs/dbraw/zinc/37/85/23/811378523.db2.gz ZVOCACZSUIAXNJ-CQSZACIVSA-N 1 1 267.325 0.989 20 10 CCCDMO C[N@H+]1CCC2(CN(C(=O)c3cccc(O)c3O)C2)C1 ZINC001269608092 813444294 /nfs/dbraw/zinc/44/42/94/813444294.db2.gz SYFUAJYAKFZNSJ-UHFFFAOYSA-N 1 1 262.309 0.876 20 10 CCCDMO COc1cccc(C[NH+]2CC3(C2)COCC(=O)N3C)c1O ZINC001272625942 816871258 /nfs/dbraw/zinc/87/12/58/816871258.db2.gz QIVZLXMVYWILJV-UHFFFAOYSA-N 1 1 292.335 0.444 20 10 CCCDMO C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(F)c(F)c2[O-])C1 ZINC000703418377 819270917 /nfs/dbraw/zinc/27/09/17/819270917.db2.gz WQUYOYPWVBXKFT-CYBMUJFWSA-N 1 1 272.295 0.827 20 10 CCCDMO C[N@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(F)c(F)c2[O-])C1 ZINC000703418377 819270922 /nfs/dbraw/zinc/27/09/22/819270922.db2.gz WQUYOYPWVBXKFT-CYBMUJFWSA-N 1 1 272.295 0.827 20 10 CCCDMO CCS(=O)(=O)NCC[NH2+]Cc1cc(F)cc(F)c1O ZINC000708393414 819774286 /nfs/dbraw/zinc/77/42/86/819774286.db2.gz DGAQGXZRJIQHIM-UHFFFAOYSA-N 1 1 294.323 0.699 20 10 CCCDMO Oc1c(F)cc(F)cc1C[NH2+]C[C@@]1(O)CCOC1 ZINC000708442525 819774571 /nfs/dbraw/zinc/77/45/71/819774571.db2.gz MTQVECFCYSNQJP-LBPRGKRZSA-N 1 1 259.252 0.911 20 10 CCCDMO COc1ccc(O)c(CNC(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)c1 ZINC000822304679 821478887 /nfs/dbraw/zinc/47/88/87/821478887.db2.gz SRNZSXYQFLCODI-IAQYHMDHSA-N 1 1 294.351 0.472 20 10 CCCDMO CO[C@@H]1C[N@@H+](Cc2c(O)cc(O)cc2O)C[C@@H]1OC ZINC001144499134 840065761 /nfs/dbraw/zinc/06/57/61/840065761.db2.gz BGQHCWWCLJJSHO-BETUJISGSA-N 1 1 269.297 0.649 20 10 CCCDMO OC[C@@]1(F)CC[N@@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144500120 840067105 /nfs/dbraw/zinc/06/71/05/840067105.db2.gz PITRPZARMLVMSC-GFCCVEGCSA-N 1 1 257.261 0.710 20 10 CCCDMO Oc1cc(O)c(C[N@H+]2CC[C@H](F)[C@@H](O)C2)c(O)c1 ZINC001144500714 840067487 /nfs/dbraw/zinc/06/74/87/840067487.db2.gz ZTTLNCMSTWLAMI-CABZTGNLSA-N 1 1 257.261 0.708 20 10 CCCDMO CC[N@@H+](CCN1CCOCC1)Cc1c(O)cc(O)cc1O ZINC001144514529 840074626 /nfs/dbraw/zinc/07/46/26/840074626.db2.gz JLJPUOQVQBSRJF-UHFFFAOYSA-N 1 1 296.367 0.958 20 10 CCCDMO CN(C)c1ccc(C[N@H+]2CC[C@H](O)[C@@H](CO)C2)cc1 ZINC001195213762 846480623 /nfs/dbraw/zinc/48/06/23/846480623.db2.gz HUCYEXJBLBKBBF-HIFRSBDPSA-N 1 1 264.369 0.928 20 10 CCCDMO Cc1ccc(C[NH2+]Cc2nnc3c(=O)n(C)ccn23)c(O)c1 ZINC001338289441 921420349 /nfs/dbraw/zinc/42/03/49/921420349.db2.gz QFLSHWINLGVZOI-UHFFFAOYSA-N 1 1 299.334 0.732 20 10 CCCDMO C[C@H](C(=O)NCc1ccc(N)cc1)N1CC[NH+](C)CC1 ZINC001343471835 923336119 /nfs/dbraw/zinc/33/61/19/923336119.db2.gz DDQDSULNWVRSID-GFCCVEGCSA-N 1 1 276.384 0.521 20 10 CCCDMO C[C@@H](C(=O)NCc1cccc(O)c1O)N1CC[NH+](C)CC1 ZINC001348048435 924585091 /nfs/dbraw/zinc/58/50/91/924585091.db2.gz SZWVBBCBFJDHJF-NSHDSACASA-N 1 1 293.367 0.350 20 10 CCCDMO CNS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccc(N)cc2)C1 ZINC001356083557 926341713 /nfs/dbraw/zinc/34/17/13/926341713.db2.gz SKZAZGCPEVPASG-CYBMUJFWSA-N 1 1 283.397 0.782 20 10 CCCDMO CNC(=O)C[N@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000052466325 348509251 /nfs/dbraw/zinc/50/92/51/348509251.db2.gz RZGHOGOOBHYRDP-UHFFFAOYSA-N 1 1 277.368 0.953 20 10 CCCDMO C[N@@H+]1CCO[C@@H](C(=O)NCc2ccc(O)c(O)c2)C1 ZINC000272335182 353054053 /nfs/dbraw/zinc/05/40/53/353054053.db2.gz NLDMQMUHWSWQGR-GFCCVEGCSA-N 1 1 266.297 0.045 20 10 CCCDMO C[N@H+]1CCO[C@@H](C(=O)NCc2ccc(O)c(O)c2)C1 ZINC000272335182 353054057 /nfs/dbraw/zinc/05/40/57/353054057.db2.gz NLDMQMUHWSWQGR-GFCCVEGCSA-N 1 1 266.297 0.045 20 10 CCCDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cccc(O)c2O)[C@H](C)C1 ZINC000281596845 389620710 /nfs/dbraw/zinc/62/07/10/389620710.db2.gz NPOJTTJSVRLBQB-GHMZBOCLSA-N 1 1 294.351 0.625 20 10 CCCDMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2cccc(O)c2O)[C@H](C)C1 ZINC000281596845 389620715 /nfs/dbraw/zinc/62/07/15/389620715.db2.gz NPOJTTJSVRLBQB-GHMZBOCLSA-N 1 1 294.351 0.625 20 10 CCCDMO COCC[N@H+](Cc1cc(OC)ccc1O)[C@@H](C)C(N)=O ZINC000180072632 389666446 /nfs/dbraw/zinc/66/64/46/389666446.db2.gz XBCQRYHRLCPIEH-JTQLQIEISA-N 1 1 282.340 0.723 20 10 CCCDMO COCC[N@@H+](Cc1cc(OC)ccc1O)[C@@H](C)C(N)=O ZINC000180072632 389666448 /nfs/dbraw/zinc/66/64/48/389666448.db2.gz XBCQRYHRLCPIEH-JTQLQIEISA-N 1 1 282.340 0.723 20 10 CCCDMO C[N@@H+](Cc1cc(F)ccc1O)CC(C)(CO)CO ZINC000180172616 389667327 /nfs/dbraw/zinc/66/73/27/389667327.db2.gz QNHOOUBCCSOOBJ-UHFFFAOYSA-N 1 1 257.305 0.954 20 10 CCCDMO CCN(C(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1)c1cnn(C)c1 ZINC000662830181 414821841 /nfs/dbraw/zinc/82/18/41/414821841.db2.gz APOZFRWJSBTWIW-JTQLQIEISA-N 1 1 288.355 0.887 20 10 CCCDMO C[C@H]([NH2+]CCN1C(=O)CNC1=O)c1ccc(F)cc1O ZINC000185205159 262046236 /nfs/dbraw/zinc/04/62/36/262046236.db2.gz FFCJOXCOOSFWFV-QMMMGPOBSA-N 1 1 281.287 0.734 20 10 CCCDMO COc1c(O)c(C[NH2+][C@@H]2CC(=O)N(C)C2)ccc1[N+](=O)[O-] ZINC000278566708 263049160 /nfs/dbraw/zinc/04/91/60/263049160.db2.gz BYYSMAWBBBTFAF-SECBINFHSA-N 1 1 295.295 0.629 20 10 CCCDMO C[N@@H+](Cc1cc2c(cc1O)OCO2)[C@@H]1COC[C@H]1O ZINC000289602779 523184960 /nfs/dbraw/zinc/18/49/60/523184960.db2.gz KWWJYPFSGUGSMZ-MWLCHTKSSA-N 1 1 267.281 0.312 20 10 CCCDMO Cc1cccc(C[N@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)c1O ZINC000193464950 524392315 /nfs/dbraw/zinc/39/23/15/524392315.db2.gz ZOBIKQBDKJOGTH-HNNXBMFYSA-N 1 1 289.335 0.875 20 10 CCCDMO COc1cccc(CNC(=O)[C@@H]2C[N@H+](C)CCO2)c1O ZINC000085519185 525997184 /nfs/dbraw/zinc/99/71/84/525997184.db2.gz VGPJCWROHNLXQO-LBPRGKRZSA-N 1 1 280.324 0.348 20 10 CCCDMO COc1cccc(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)c1O ZINC000085519185 525997194 /nfs/dbraw/zinc/99/71/94/525997194.db2.gz VGPJCWROHNLXQO-LBPRGKRZSA-N 1 1 280.324 0.348 20 10 CCCDMO COc1ccc(CNC(=O)CC[NH+]2CCOCC2)c(O)c1 ZINC000794377908 581366516 /nfs/dbraw/zinc/36/65/16/581366516.db2.gz REBOAFIQZVYHJI-UHFFFAOYSA-N 1 1 294.351 0.739 20 10 CCCDMO CN1CCN(c2ccc(C[N@H+](C)CCO)cc2)CC1 ZINC000775639295 582032411 /nfs/dbraw/zinc/03/24/11/582032411.db2.gz SJOCEYXRSKWDCK-UHFFFAOYSA-N 1 1 263.385 0.863 20 10 CCCDMO CN1CCN(c2ccc(C[N@@H+](C)CCO)cc2)CC1 ZINC000775639295 582032414 /nfs/dbraw/zinc/03/24/14/582032414.db2.gz SJOCEYXRSKWDCK-UHFFFAOYSA-N 1 1 263.385 0.863 20 10 CCCDMO COc1ccc(O)c(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3C)c1 ZINC000775717884 582035142 /nfs/dbraw/zinc/03/51/42/582035142.db2.gz TVWIGKQVMHBMFZ-HIFRSBDPSA-N 1 1 278.352 0.916 20 10 CCCDMO COc1cc(C[N@@H+]2CCO[C@H](CC(N)=O)C2)c(O)cc1C ZINC000863326855 617186110 /nfs/dbraw/zinc/18/61/10/617186110.db2.gz TYIDCFAWPJSGGA-GFCCVEGCSA-N 1 1 294.351 0.785 20 10 CCCDMO COc1cc(C[N@H+]2CCO[C@H](CC(N)=O)C2)c(O)cc1C ZINC000863326855 617186111 /nfs/dbraw/zinc/18/61/11/617186111.db2.gz TYIDCFAWPJSGGA-GFCCVEGCSA-N 1 1 294.351 0.785 20 10 CCCDMO COc1cc(O)c(C[N@H+]2C[C@H](O)C[C@@]2(C)CO)cc1OC ZINC000895329360 617207788 /nfs/dbraw/zinc/20/77/88/617207788.db2.gz JIFYGFQBAWZRQH-ABAIWWIYSA-N 1 1 297.351 0.727 20 10 CCCDMO COc1ccc(CN2CC[N@@H+](C)C[C@H]2CO)c(O)c1OC ZINC000895478965 617250150 /nfs/dbraw/zinc/25/01/50/617250150.db2.gz AFNOWMASVZWPSJ-LBPRGKRZSA-N 1 1 296.367 0.518 20 10 CCCDMO COc1ccc(O)c(C[N@@H+](C[C@H](O)CO)C(C)C)c1 ZINC000817417972 617272218 /nfs/dbraw/zinc/27/22/18/617272218.db2.gz WGWFHDPBANATEM-LBPRGKRZSA-N 1 1 269.341 0.964 20 10 CCCDMO COc1ccc(O)c(CN2CC[N@H+]3C[C@H](O)C[C@H]3C2)c1 ZINC000848926317 617272652 /nfs/dbraw/zinc/27/26/52/617272652.db2.gz OTOGWGFMFIYOGK-QWHCGFSZSA-N 1 1 278.352 0.652 20 10 CCCDMO CCc1cccc(C[N@H+]2CCO[C@H](C(N)=O)C2)c1O ZINC000848885125 615683027 /nfs/dbraw/zinc/68/30/27/615683027.db2.gz MABYNRWJQYYIGF-LBPRGKRZSA-N 1 1 264.325 0.641 20 10 CCCDMO CN(C)c1ccc(CN2CCNCC[NH2+]CC2)cc1 ZINC000904397591 616013764 /nfs/dbraw/zinc/01/37/64/616013764.db2.gz GIBVFVHBIVGTMA-UHFFFAOYSA-N 1 1 262.401 0.747 20 10 CCCDMO C[N@H+]1CCC[C@@H]1C(=O)NCc1ccc(O)cc1O ZINC000910942924 616193694 /nfs/dbraw/zinc/19/36/94/616193694.db2.gz IRQWODHHIFBIHY-LLVKDONJSA-N 1 1 250.298 0.808 20 10 CCCDMO C[N@@H+]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](CO)C1 ZINC000912739642 616220148 /nfs/dbraw/zinc/22/01/48/616220148.db2.gz DFMOSXHNHYTMRX-OGOUPESXSA-N 1 1 292.335 0.246 20 10 CCCDMO C[N@H+]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](CO)C1 ZINC000912739642 616220149 /nfs/dbraw/zinc/22/01/49/616220149.db2.gz DFMOSXHNHYTMRX-OGOUPESXSA-N 1 1 292.335 0.246 20 10 CCCDMO C[N@@H+]1CCN(Cc2cc(F)ccc2O)[C@H](CO)C1 ZINC000877643465 616244620 /nfs/dbraw/zinc/24/46/20/616244620.db2.gz FNHVTWKULPPBNH-LBPRGKRZSA-N 1 1 254.305 0.640 20 10 CCCDMO C[N@H+]1CCN(Cc2cc(F)ccc2O)[C@H](CO)C1 ZINC000877643465 616244621 /nfs/dbraw/zinc/24/46/21/616244621.db2.gz FNHVTWKULPPBNH-LBPRGKRZSA-N 1 1 254.305 0.640 20 10 CCCDMO C[N@H+]1C[C@@H]2CCN(C(=O)c3cccc(O)c3O)[C@@H]2C1 ZINC000816950170 616360060 /nfs/dbraw/zinc/36/00/60/616360060.db2.gz MUMITQUURHBUNX-GXSJLCMTSA-N 1 1 262.309 0.874 20 10 CCCDMO COC(=O)[C@]1(O)CC[N@@H+](Cc2c(O)cccc2OC)C1 ZINC000895709047 616785021 /nfs/dbraw/zinc/78/50/21/616785021.db2.gz YJYKIUFJOPQVDO-AWEZNQCLSA-N 1 1 281.308 0.511 20 10 CCCDMO COCC[N@@H+](C)CCNC(=O)NCCc1ccc(N)cc1 ZINC000841781038 616958953 /nfs/dbraw/zinc/95/89/53/616958953.db2.gz MQBDJOZJVLDZBR-UHFFFAOYSA-N 1 1 294.399 0.689 20 10 CCCDMO COc1c(O)c(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)ccc1[N+](=O)[O-] ZINC000895652175 617149277 /nfs/dbraw/zinc/14/92/77/617149277.db2.gz GAPLVPBLVCNWFI-NOZJJQNGSA-N 1 1 280.280 0.876 20 10 CCCDMO COc1c(O)c(C[N@H+]2C[C@H]3C[C@@]3(O)C2)ccc1[N+](=O)[O-] ZINC000895652175 617149278 /nfs/dbraw/zinc/14/92/78/617149278.db2.gz GAPLVPBLVCNWFI-NOZJJQNGSA-N 1 1 280.280 0.876 20 10 CCCDMO NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000160327317 624705259 /nfs/dbraw/zinc/70/52/59/624705259.db2.gz OVBDIIWOWBIZAS-HNNXBMFYSA-N 1 1 289.379 0.973 20 10 CCCDMO O=C1NC(=O)[C@@H]2C[N@@H+](Cc3c(O)cccc3Cl)C[C@H]12 ZINC000824893476 641850815 /nfs/dbraw/zinc/85/08/15/641850815.db2.gz SQYKUFRSCPVTNY-OCAPTIKFSA-N 1 1 280.711 0.750 20 10 CCCDMO O=[S@]1C[C@@H]2C[C@H]1C[N@H+]2Cc1cc2c(cc1O)OC[C@@H]2O ZINC000844747874 643243970 /nfs/dbraw/zinc/24/39/70/643243970.db2.gz DGFVVFIBWHULBZ-HRZJWCRGSA-N 1 1 295.360 0.523 20 10 CCCDMO O=[S@]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cc2c(cc1O)OC[C@@H]2O ZINC000844747874 643243975 /nfs/dbraw/zinc/24/39/75/643243975.db2.gz DGFVVFIBWHULBZ-HRZJWCRGSA-N 1 1 295.360 0.523 20 10 CCCDMO O=[S@@]1C[C@@H]2C[C@H]1C[N@H+]2Cc1cc2c(cc1O)OC[C@@H]2O ZINC000844747871 643244173 /nfs/dbraw/zinc/24/41/73/643244173.db2.gz DGFVVFIBWHULBZ-YBSDBUMCSA-N 1 1 295.360 0.523 20 10 CCCDMO O=[S@@]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cc2c(cc1O)OC[C@@H]2O ZINC000844747871 643244180 /nfs/dbraw/zinc/24/41/80/643244180.db2.gz DGFVVFIBWHULBZ-YBSDBUMCSA-N 1 1 295.360 0.523 20 10 CCCDMO Cc1cccc(CN2CC([N@H+]3CC[C@@H](O)C3)C2)c1O ZINC000846068546 643377466 /nfs/dbraw/zinc/37/74/66/643377466.db2.gz WOLPLKIKGIIMMR-CQSZACIVSA-N 1 1 262.353 0.951 20 10 CCCDMO Cc1cccc(C[NH+]2CC(N3CC[C@@H](O)C3)C2)c1O ZINC000846068546 643377471 /nfs/dbraw/zinc/37/74/71/643377471.db2.gz WOLPLKIKGIIMMR-CQSZACIVSA-N 1 1 262.353 0.951 20 10 CCCDMO COc1cc(O)c(CN2CC[N@@H+](C)C[C@H]2CO)cc1OC ZINC000877643764 646831623 /nfs/dbraw/zinc/83/16/23/646831623.db2.gz IQZGGBOKDRBKNZ-LBPRGKRZSA-N 1 1 296.367 0.518 20 10 CCCDMO O=C(N[C@@H](CO)C[NH+]1CCCC1)C1=CC(=O)CS1 ZINC000879996727 647142022 /nfs/dbraw/zinc/14/20/22/647142022.db2.gz CMHOPJIEVHZUJN-SECBINFHSA-N 1 1 270.354 0.640 20 10 CCCDMO COCC[N@H+]1CCC[C@H]1CNC(=O)c1cccc(O)c1O ZINC000193014583 649521976 /nfs/dbraw/zinc/52/19/76/649521976.db2.gz BEUURTVVDMZEIT-NSHDSACASA-N 1 1 294.351 0.938 20 10 CCCDMO COc1cc(N(C)C)ccc1C[N@H+]1CCOC[C@@H](O)C1 ZINC001231849480 805863598 /nfs/dbraw/zinc/86/35/98/805863598.db2.gz UPYQAFWYOWXGFI-AWEZNQCLSA-N 1 1 280.368 0.954 20 10 CCCDMO Oc1cc(O)c(C[N@H+]2CCOC[C@@H](O)C2)cc1Cl ZINC001232260439 805915003 /nfs/dbraw/zinc/91/50/03/805915003.db2.gz QKIIUDBOUQGHAU-VIFPVBQESA-N 1 1 273.716 0.944 20 10 CCCDMO Oc1cc(O)c(C[N@@H+]2CCOC[C@@H](O)C2)cc1Cl ZINC001232260439 805915008 /nfs/dbraw/zinc/91/50/08/805915008.db2.gz QKIIUDBOUQGHAU-VIFPVBQESA-N 1 1 273.716 0.944 20 10 CCCDMO CN(C)c1ccc(C[N@H+]2CC[C@@H](O)[C@H](CO)C2)c(O)c1 ZINC001232835680 805985506 /nfs/dbraw/zinc/98/55/06/805985506.db2.gz FQOJWXJFTDRBKD-GXTWGEPZSA-N 1 1 280.368 0.633 20 10 CCCDMO CN(Cc1cc(O)c(O)c(O)c1)[C@H]1CC[N@@H+](C)C1 ZINC001233011490 806006576 /nfs/dbraw/zinc/00/65/76/806006576.db2.gz AUYKNQXDPYQXCW-JTQLQIEISA-N 1 1 252.314 0.939 20 10 CCCDMO OC[C@H]1C[N@H+](Cc2c(O)cccc2F)CC[C@@H]1O ZINC001137832885 799690287 /nfs/dbraw/zinc/69/02/87/799690287.db2.gz LAULHVVPZMJIFE-SKDRFNHKSA-N 1 1 255.289 0.706 20 10 CCCDMO OC[C@H]1C[N@@H+](Cc2c(O)cccc2F)CC[C@@H]1O ZINC001137832885 799690289 /nfs/dbraw/zinc/69/02/89/799690289.db2.gz LAULHVVPZMJIFE-SKDRFNHKSA-N 1 1 255.289 0.706 20 10 CCCDMO Cc1c(O)ccc(C[N@H+]2CC[C@@H](O)[C@H](CO)C2)c1O ZINC001140744488 799938075 /nfs/dbraw/zinc/93/80/75/799938075.db2.gz ZBCKTWBYQTYWJO-WCQYABFASA-N 1 1 267.325 0.581 20 10 CCCDMO COC(=O)[C@@H]1C[N@H+](C)CCN1Cc1ccc(O)c(C)c1O ZINC001140749732 799939447 /nfs/dbraw/zinc/93/94/47/799939447.db2.gz KWUZUBVKQGRBSG-LBPRGKRZSA-N 1 1 294.351 0.695 20 10 CCCDMO COC(=O)[C@@H]1C[N@@H+](C)CCN1Cc1ccc(O)c(C)c1O ZINC001140749732 799939451 /nfs/dbraw/zinc/93/94/51/799939451.db2.gz KWUZUBVKQGRBSG-LBPRGKRZSA-N 1 1 294.351 0.695 20 10 CCCDMO CCOC(=O)CN1CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141156863 799984813 /nfs/dbraw/zinc/98/48/13/799984813.db2.gz VRPHTUIQOKDDAB-UHFFFAOYSA-N 1 1 294.351 0.779 20 10 CCCDMO CN1CCOc2cc(C[N@H+]3CC[C@@H](O)[C@H](CO)C3)ccc21 ZINC001141140898 799984826 /nfs/dbraw/zinc/98/48/26/799984826.db2.gz RHVUDWWAWAUKDV-DZGCQCFKSA-N 1 1 292.379 0.690 20 10 CCCDMO O=C([C@@H]1COCC[NH2+]1)N1CCc2cccc(O)c2C1 ZINC001160872006 802036706 /nfs/dbraw/zinc/03/67/06/802036706.db2.gz FHNXWDMLWGRBNV-LBPRGKRZSA-N 1 1 262.309 0.265 20 10 CCCDMO COC(=O)[C@H]1C[N@H+](Cc2ccccc2O)CCN1C(C)=O ZINC001203561424 803034202 /nfs/dbraw/zinc/03/42/02/803034202.db2.gz VSWMSSAEYZYETM-CYBMUJFWSA-N 1 1 292.335 0.598 20 10 CCCDMO COC(=O)[C@H]1C[N@@H+](Cc2ccccc2O)CCN1C(C)=O ZINC001203561424 803034208 /nfs/dbraw/zinc/03/42/08/803034208.db2.gz VSWMSSAEYZYETM-CYBMUJFWSA-N 1 1 292.335 0.598 20 10 CCCDMO C[N@@H+](CCN1CCOCC1)Cc1ccc(O)c(O)c1 ZINC001203873555 803049174 /nfs/dbraw/zinc/04/91/74/803049174.db2.gz FRXWHEPYSZKNMX-UHFFFAOYSA-N 1 1 266.341 0.862 20 10 CCCDMO NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203874440 803049328 /nfs/dbraw/zinc/04/93/28/803049328.db2.gz XZOJFRZCKNMCQT-SNVBAGLBSA-N 1 1 250.298 0.795 20 10 CCCDMO OC[C@H]1C[N@@H+](Cc2ccc(O)c(O)c2)CC[C@@H]1O ZINC001203875928 803050603 /nfs/dbraw/zinc/05/06/03/803050603.db2.gz ZEFUGLFSJBTAFA-MNOVXSKESA-N 1 1 253.298 0.273 20 10 CCCDMO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3ccc(O)c(O)c3)C[C@@H]21 ZINC001203878551 803050670 /nfs/dbraw/zinc/05/06/70/803050670.db2.gz BUXUIRUDHQEPQL-IWIIMEHWSA-N 1 1 263.293 0.949 20 10 CCCDMO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3ccc(O)c(O)c3)C[C@@H]21 ZINC001203878551 803050678 /nfs/dbraw/zinc/05/06/78/803050678.db2.gz BUXUIRUDHQEPQL-IWIIMEHWSA-N 1 1 263.293 0.949 20 10 CCCDMO CCc1ccc(CN2CC[C@@H]([NH3+])[C@H](O)C2)c(O)c1 ZINC001205973456 803194529 /nfs/dbraw/zinc/19/45/29/803194529.db2.gz UBXPLWIJCAUFPG-TZMCWYRMSA-N 1 1 250.342 0.849 20 10 CCCDMO COC(=O)Cc1ccc(C[N@H+]2CC[C@@H](CO)C2)c(O)c1 ZINC001249201460 807547205 /nfs/dbraw/zinc/54/72/05/807547205.db2.gz TUFIBFMXYFYWSI-GFCCVEGCSA-N 1 1 279.336 0.922 20 10 CCCDMO C[N@H+]1C[C@H]2C[C@@H](C1)N(C(=O)c1cccc(O)c1O)C2 ZINC001269608075 813444263 /nfs/dbraw/zinc/44/42/63/813444263.db2.gz SHAMQXOMFDCDRG-ZJUUUORDSA-N 1 1 262.309 0.874 20 10 CCCDMO C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(O)c(O)c(O)c1 ZINC001270069031 813612648 /nfs/dbraw/zinc/61/26/48/813612648.db2.gz HTBSLVGVCHEWEY-UWVGGRQHSA-N 1 1 278.308 0.722 20 10 CCCDMO OC[C@]1([NH2+]Cc2cc(F)cc(F)c2O)CCOC1 ZINC000708505107 819786879 /nfs/dbraw/zinc/78/68/79/819786879.db2.gz XIWRRHNFFITIQJ-GFCCVEGCSA-N 1 1 259.252 0.911 20 10 CCCDMO COC(=O)[C@@H]1CCC[N@H+]1Cc1c(O)cc(O)cc1O ZINC001144499882 840066400 /nfs/dbraw/zinc/06/64/00/840066400.db2.gz NLXUXZRAZNJBLE-JTQLQIEISA-N 1 1 267.281 0.941 20 10 CCCDMO COC(=O)[C@@H](C)[N@H+](C)Cc1c(O)cc(O)cc1O ZINC001144514770 840075582 /nfs/dbraw/zinc/07/55/82/840075582.db2.gz RKUUMZNEIZZCAU-SSDOTTSWSA-N 1 1 255.270 0.797 20 10 CCCDMO COC(=O)[C@@H](C)[N@@H+](C)Cc1c(O)cc(O)cc1O ZINC001144514770 840075591 /nfs/dbraw/zinc/07/55/91/840075591.db2.gz RKUUMZNEIZZCAU-SSDOTTSWSA-N 1 1 255.270 0.797 20 10 CCCDMO C[C@@H](C(=O)NCC(=O)c1ccc(O)c(O)c1)[NH+](C)C ZINC001180865032 843332155 /nfs/dbraw/zinc/33/21/55/843332155.db2.gz QQXLMXIONQFRIC-QMMMGPOBSA-N 1 1 266.297 0.347 20 10 CCCDMO COc1ccc(O)c(C[N@@H+]2CCOC[C@H]2CC(N)=O)c1 ZINC001182423385 843809401 /nfs/dbraw/zinc/80/94/01/843809401.db2.gz DBTUNDHUIGNAKD-LLVKDONJSA-N 1 1 280.324 0.477 20 10 CCCDMO COc1ccc(O)c(C[N@H+]2CCOC[C@H]2CC(N)=O)c1 ZINC001182423385 843809409 /nfs/dbraw/zinc/80/94/09/843809409.db2.gz DBTUNDHUIGNAKD-LLVKDONJSA-N 1 1 280.324 0.477 20 10 CCCDMO OC[C@@H]1C[N@@H+](Cc2ccc(O)c(O)c2)CC[C@H]1O ZINC001203875931 846893715 /nfs/dbraw/zinc/89/37/15/846893715.db2.gz ZEFUGLFSJBTAFA-WDEREUQCSA-N 1 1 253.298 0.273 20 10 CCCDMO CO[C@@H]1C[N@@H+](Cc2ccc(O)c(O)c2)C[C@@H]1OC ZINC001203875183 846895837 /nfs/dbraw/zinc/89/58/37/846895837.db2.gz JOFDSGKLGWQJJH-BETUJISGSA-N 1 1 253.298 0.943 20 10 CCCDMO CN1CC[C@@]2(CC[N@@H+](Cc3cc(O)c(O)cc3O)C2)C1=O ZINC001273843686 847654728 /nfs/dbraw/zinc/65/47/28/847654728.db2.gz UIYDQSBEBFBGRS-HNNXBMFYSA-N 1 1 292.335 0.858 20 10 CCCDMO C[NH+](C)CCN1CC2(C1)CN(Cc1ccc(O)cc1O)C2 ZINC001275952581 848872727 /nfs/dbraw/zinc/87/27/27/848872727.db2.gz IEMQNTCLDDKNBC-UHFFFAOYSA-N 1 1 291.395 0.777 20 10 CCCDMO CCNC(=O)CN1CC[NH+](Cc2ccc(N)cc2)CC1 ZINC001345160336 891438406 /nfs/dbraw/zinc/43/84/06/891438406.db2.gz UNCSTRQEIQDYQQ-UHFFFAOYSA-N 1 1 276.384 0.523 20 10 CCCDMO OCCC[NH+]1CCN(Cc2ccccc2O)CC1 ZINC001203550257 897682626 /nfs/dbraw/zinc/68/26/26/897682626.db2.gz OKJGHILKZJFEAI-UHFFFAOYSA-N 1 1 250.342 0.892 20 10 CCCDMO COc1cc(C(=O)N2CC[N@H+]3CC[C@@H]3C2)cc(O)c1O ZINC001193097150 900033446 /nfs/dbraw/zinc/03/34/46/900033446.db2.gz GAGIJHNQHSPKLL-SNVBAGLBSA-N 1 1 278.308 0.637 20 10 CCCDMO C[N@H+]1CCC[C@H]1C(=O)NCc1c(O)cccc1O ZINC001304053856 908136754 /nfs/dbraw/zinc/13/67/54/908136754.db2.gz UHZTVXOQZFJKEU-JTQLQIEISA-N 1 1 250.298 0.808 20 10 CCCDMO OC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cc(F)c(F)cc1O ZINC001308707844 908431739 /nfs/dbraw/zinc/43/17/39/908431739.db2.gz YZNXFTSHFPJYIJ-DTWKUNHWSA-N 1 1 259.252 0.598 20 10 CCCDMO OC[C@@H]1C[C@@H](O)C[N@H+]1Cc1cc(F)c(F)cc1O ZINC001308707844 908431747 /nfs/dbraw/zinc/43/17/47/908431747.db2.gz YZNXFTSHFPJYIJ-DTWKUNHWSA-N 1 1 259.252 0.598 20 10 CCCDMO CNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000092067636 349481037 /nfs/dbraw/zinc/48/10/37/349481037.db2.gz AKEBKEWNGLCEJW-CQSZACIVSA-N 1 1 297.424 0.876 20 10 CCCDMO C[C@@H](CNC(=O)c1cccc(O)c1O)C[NH+]1CCOCC1 ZINC000187114445 351529982 /nfs/dbraw/zinc/52/99/82/351529982.db2.gz BJMLHDBFHQIKRC-NSHDSACASA-N 1 1 294.351 0.796 20 10 CCCDMO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1O ZINC000188616610 351612543 /nfs/dbraw/zinc/61/25/43/351612543.db2.gz NDMYXSDPBAHBRA-QWRGUYRKSA-N 1 1 251.282 0.500 20 10 CCCDMO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1O ZINC000188616610 351612548 /nfs/dbraw/zinc/61/25/48/351612548.db2.gz NDMYXSDPBAHBRA-QWRGUYRKSA-N 1 1 251.282 0.500 20 10 CCCDMO C[C@H]1OCC[NH2+][C@@H]1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000284930895 353557359 /nfs/dbraw/zinc/55/73/59/353557359.db2.gz WCSISSFCVNJHOO-YGRLFVJLSA-N 1 1 295.358 0.885 20 10 CCCDMO NC(=O)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000070975647 283287475 /nfs/dbraw/zinc/28/74/75/283287475.db2.gz SDHFVKMXYZJLQV-GFCCVEGCSA-N 1 1 264.325 0.859 20 10 CCCDMO NC(=O)C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000070975647 283287476 /nfs/dbraw/zinc/28/74/76/283287476.db2.gz SDHFVKMXYZJLQV-GFCCVEGCSA-N 1 1 264.325 0.859 20 10 CCCDMO COCC[N@@H+](CCO)Cc1cccc(OC)c1O ZINC000093006010 389033669 /nfs/dbraw/zinc/03/36/69/389033669.db2.gz IJXHSGWRJKYFRH-UHFFFAOYSA-N 1 1 255.314 0.842 20 10 CCCDMO Cc1cccc(C[N@H+]2CCC[C@@H](S(N)(=O)=O)C2)c1O ZINC000372733908 389456573 /nfs/dbraw/zinc/45/65/73/389456573.db2.gz AFTOWFMGPGDHAV-GFCCVEGCSA-N 1 1 284.381 0.954 20 10 CCCDMO NC(=O)C[C@H]1CC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000377160997 268051699 /nfs/dbraw/zinc/05/16/99/268051699.db2.gz IARBRYYFOLWTKF-SECBINFHSA-N 1 1 278.308 0.818 20 10 CCCDMO COc1cc(Cl)cc(C[NH+]2C[C@@H](O)[C@H](O)C2)c1O ZINC000278457221 522535299 /nfs/dbraw/zinc/53/52/99/522535299.db2.gz ZEQBZMJXQNQKPM-NXEZZACHSA-N 1 1 273.716 0.592 20 10 CCCDMO COc1ccc(O)c([C@@H](C)[NH2+]Cc2nc(N)nc(N)n2)c1 ZINC000775369275 582021089 /nfs/dbraw/zinc/02/10/89/582021089.db2.gz LYORKXVVHOEQTK-SSDOTTSWSA-N 1 1 290.327 0.601 20 10 CCCDMO COc1cc(C)cc(C[N@H+]2CC[C@@H](O)[C@@H](O)C2)c1O ZINC000895461196 617175502 /nfs/dbraw/zinc/17/55/02/617175502.db2.gz ZGHUGGPHXQFMHV-NEPJUHHUSA-N 1 1 267.325 0.637 20 10 CCCDMO COc1cc(C)cc(C[N@@H+]2CCO[C@@H](CC(N)=O)C2)c1O ZINC000863325087 617175728 /nfs/dbraw/zinc/17/57/28/617175728.db2.gz SRRQYKXKBYORNX-LBPRGKRZSA-N 1 1 294.351 0.785 20 10 CCCDMO COc1cc(C)cc(C[N@H+]2CCO[C@@H](CC(N)=O)C2)c1O ZINC000863325087 617175729 /nfs/dbraw/zinc/17/57/29/617175729.db2.gz SRRQYKXKBYORNX-LBPRGKRZSA-N 1 1 294.351 0.785 20 10 CCCDMO COc1ccc(C[N@@H+]2CCCNC(=O)C2)c(O)c1OC ZINC000891810349 617249984 /nfs/dbraw/zinc/24/99/84/617249984.db2.gz UQBMMOUCCAMKOF-UHFFFAOYSA-N 1 1 280.324 0.731 20 10 CCCDMO COc1ccc(C[N@H+]2CCCNC(=O)C2)c(O)c1OC ZINC000891810349 617249985 /nfs/dbraw/zinc/24/99/85/617249985.db2.gz UQBMMOUCCAMKOF-UHFFFAOYSA-N 1 1 280.324 0.731 20 10 CCCDMO COc1ccc(N2CCC[N@@H+](C[C@@H](O)CO)CC2)cc1 ZINC000929317018 617267599 /nfs/dbraw/zinc/26/75/99/617267599.db2.gz UXWUSSXREKGRJA-CQSZACIVSA-N 1 1 280.368 0.561 20 10 CCCDMO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N2CCNCC2)c1 ZINC000817945768 617274243 /nfs/dbraw/zinc/27/42/43/617274243.db2.gz LNKJXDGDPSXVHU-NSHDSACASA-N 1 1 293.367 0.483 20 10 CCCDMO COc1cccc(C[N@@H+]2CCO[C@@H]([C@@H](C)O)C2)c1O ZINC000840978443 617297527 /nfs/dbraw/zinc/29/75/27/617297527.db2.gz RIQVUNBFDQIJOU-ZWNOBZJWSA-N 1 1 267.325 0.982 20 10 CCCDMO COc1cccc(C[N@H+]2CCO[C@@H]([C@@H](C)O)C2)c1O ZINC000840978443 617297528 /nfs/dbraw/zinc/29/75/28/617297528.db2.gz RIQVUNBFDQIJOU-ZWNOBZJWSA-N 1 1 267.325 0.982 20 10 CCCDMO COc1cccc(O)c1CN1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000843124756 617305429 /nfs/dbraw/zinc/30/54/29/617305429.db2.gz MZRIRPDLDDBTTB-CYBMUJFWSA-N 1 1 291.395 0.880 20 10 CCCDMO COc1cccc([C@@H](C)NC[C@@H](O)C[NH+](C)C)c1O ZINC000846143709 617307577 /nfs/dbraw/zinc/30/75/77/617307577.db2.gz FXGLXWHXBSYLFM-GHMZBOCLSA-N 1 1 268.357 0.974 20 10 CCCDMO CC[N@@H+](CC(N)=O)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877468166 614958414 /nfs/dbraw/zinc/95/84/14/614958414.db2.gz ACZZLBZMPRBGQA-UHFFFAOYSA-N 1 1 291.395 0.955 20 10 CCCDMO CC[N@@H+](CCC(N)=O)Cc1cc2c(cc1O)OCO2 ZINC000896715299 615041027 /nfs/dbraw/zinc/04/10/27/615041027.db2.gz PCJNUDCVQHNGEA-UHFFFAOYSA-N 1 1 266.297 0.818 20 10 CCCDMO CN(C)c1ccc(CNC(=O)C[N@@H+]2C[C@@H]3C[C@]3(O)C2)cc1 ZINC000880416593 616014840 /nfs/dbraw/zinc/01/48/40/616014840.db2.gz 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/nfs/dbraw/zinc/87/68/47/521876847.db2.gz QQZFNDRELYBYJP-UHFFFAOYSA-N 1 1 286.284 0.408 20 10 CCCDMO CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000265191370 522192185 /nfs/dbraw/zinc/19/21/85/522192185.db2.gz IMRIJIRBRJZCOJ-AWEZNQCLSA-N 1 1 277.368 0.435 20 10 CCCDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CC[C@H](O)C2)cc1 ZINC000265191370 522192198 /nfs/dbraw/zinc/19/21/98/522192198.db2.gz IMRIJIRBRJZCOJ-AWEZNQCLSA-N 1 1 277.368 0.435 20 10 CCCDMO O=C(CC[NH+]1CCOCC1)NCc1ccc(O)c(O)c1 ZINC000778916354 581169767 /nfs/dbraw/zinc/16/97/67/581169767.db2.gz FNEJDVWNNALPIF-UHFFFAOYSA-N 1 1 280.324 0.436 20 10 CCCDMO Cc1cccc(C[NH+]2CCN(C(=O)CO)CC2)c1O ZINC000793593738 581303861 /nfs/dbraw/zinc/30/38/61/581303861.db2.gz PVODVKQADZXQJT-UHFFFAOYSA-N 1 1 264.325 0.337 20 10 CCCDMO CN(C)c1ccc(C[N@@H+]2CCOC[C@H]2CO)cc1 ZINC000785831015 581422733 /nfs/dbraw/zinc/42/27/33/581422733.db2.gz KSXITIUMBCYAOO-CQSZACIVSA-N 1 1 250.342 0.946 20 10 CCCDMO CN(C)c1ccc(C[N@H+]2CCOC[C@H]2CO)cc1 ZINC000785831015 581422734 /nfs/dbraw/zinc/42/27/34/581422734.db2.gz KSXITIUMBCYAOO-CQSZACIVSA-N 1 1 250.342 0.946 20 10 CCCDMO COc1ccc(O)c(C[N@H+]2CC[C@H](S(N)(=O)=O)C2)c1 ZINC000785986098 581426486 /nfs/dbraw/zinc/42/64/86/581426486.db2.gz SBHFBDPZXYPJFF-NSHDSACASA-N 1 1 286.353 0.264 20 10 CCCDMO COc1cc(O)c(C[N@@H+]2C[C@@H](C)O[C@@H](CO)C2)cc1OC ZINC000787417067 581469938 /nfs/dbraw/zinc/46/99/38/581469938.db2.gz IMGSHCSREBMWSX-ZYHUDNBSSA-N 1 1 297.351 0.991 20 10 CCCDMO COc1cc(O)c(C[N@H+]2C[C@@H](C)O[C@@H](CO)C2)cc1OC ZINC000787417067 581469940 /nfs/dbraw/zinc/46/99/40/581469940.db2.gz IMGSHCSREBMWSX-ZYHUDNBSSA-N 1 1 297.351 0.991 20 10 CCCDMO COc1cccc(O)c1C[N@H+](C)CC(=O)N(C)C ZINC000768190935 581646871 /nfs/dbraw/zinc/64/68/71/581646871.db2.gz FVDFCHNNPVJNKL-UHFFFAOYSA-N 1 1 252.314 0.921 20 10 CCCDMO COc1cccc(O)c1C[N@@H+](C)CC(=O)N(C)C ZINC000768190935 581646874 /nfs/dbraw/zinc/64/68/74/581646874.db2.gz FVDFCHNNPVJNKL-UHFFFAOYSA-N 1 1 252.314 0.921 20 10 CCCDMO COc1cc(Cl)cc(C[N@@H+]2C[C@H](O)C[C@H](O)C2)c1O ZINC000761205312 581895477 /nfs/dbraw/zinc/89/54/77/581895477.db2.gz SKTAWUWYDHKHJF-PHIMTYICSA-N 1 1 287.743 0.982 20 10 CCCDMO COc1cccc(O)c1C[N@@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000761214702 581896622 /nfs/dbraw/zinc/89/66/22/581896622.db2.gz CZLZBLGBXFEKMQ-SNVBAGLBSA-N 1 1 291.307 0.137 20 10 CCCDMO COc1cccc(O)c1C[N@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000761214702 581896625 /nfs/dbraw/zinc/89/66/25/581896625.db2.gz CZLZBLGBXFEKMQ-SNVBAGLBSA-N 1 1 291.307 0.137 20 10 CCCDMO CN1CC[C@H]([N@@H+](C)Cc2cc3c(cc2O)OC[C@H]3O)C1=O ZINC000768445892 582106692 /nfs/dbraw/zinc/10/66/92/582106692.db2.gz KDDYSUSTFKRWQX-WCQYABFASA-N 1 1 292.335 0.481 20 10 CCCDMO COc1ccc(C[N@H+]2C[C@H]3C[C@@]3(O)C2)c(O)c1OC ZINC000896021052 617252426 /nfs/dbraw/zinc/25/24/26/617252426.db2.gz FLRPAPIZVWNLNY-QMTHXVAHSA-N 1 1 265.309 0.976 20 10 CCCDMO COc1ccc(O)c(C[N@@H+](C)[C@@]2(CO)CCOC2)c1 ZINC000862427143 617272392 /nfs/dbraw/zinc/27/23/92/617272392.db2.gz UPWUGYXNZJMYJD-CQSZACIVSA-N 1 1 267.325 0.984 20 10 CCCDMO COc1ccc(O)c(C[N@H+]2C[C@@H](O)[C@H](OC)C2)c1 ZINC000825017669 617272983 /nfs/dbraw/zinc/27/29/83/617272983.db2.gz WTUWDAXIYCTFJZ-CHWSQXEVSA-N 1 1 253.298 0.592 20 10 CCCDMO COc1cccc(C[N@@H+](C[C@H](O)CO)C(C)C)c1O ZINC000817417836 617296928 /nfs/dbraw/zinc/29/69/28/617296928.db2.gz RYRCSQQNOTUXTL-LBPRGKRZSA-N 1 1 269.341 0.964 20 10 CCCDMO COc1cccc(CNCC2([NH3+])CCOCC2)c1O ZINC000863481624 617299946 /nfs/dbraw/zinc/29/99/46/617299946.db2.gz KQCBMAFBUBHIDJ-UHFFFAOYSA-N 1 1 266.341 0.998 20 10 CCCDMO COc1cccc(C[NH2+]CC2(N)CCOCC2)c1O ZINC000863481624 617299947 /nfs/dbraw/zinc/29/99/47/617299947.db2.gz KQCBMAFBUBHIDJ-UHFFFAOYSA-N 1 1 266.341 0.998 20 10 CCCDMO CC[N@@H+]1CCO[C@H](C(=O)NCc2ccc(O)cc2O)C1 ZINC000910950136 615183559 /nfs/dbraw/zinc/18/35/59/615183559.db2.gz CWXRJTFVRSRHJE-ZDUSSCGKSA-N 1 1 280.324 0.435 20 10 CCCDMO CC[N@H+]1CCO[C@H](C(=O)NCc2ccc(O)cc2O)C1 ZINC000910950136 615183561 /nfs/dbraw/zinc/18/35/61/615183561.db2.gz CWXRJTFVRSRHJE-ZDUSSCGKSA-N 1 1 280.324 0.435 20 10 CCCDMO CCOc1cccc(C[N@H+]2C[C@H](CO)[C@H](CO)C2)c1O ZINC000877764549 615516250 /nfs/dbraw/zinc/51/62/50/615516250.db2.gz IBOOTLAEAHNMCQ-BETUJISGSA-N 1 1 281.352 0.824 20 10 CCCDMO CC[C@@H]([NH2+]CC(=O)N1CCNCC1)c1ccccc1O ZINC000817946350 615535336 /nfs/dbraw/zinc/53/53/36/615535336.db2.gz XDDWFZAICVYTEC-CYBMUJFWSA-N 1 1 277.368 0.865 20 10 CCCDMO C[N@@H+](CCC(N)=O)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877521305 616069678 /nfs/dbraw/zinc/06/96/78/616069678.db2.gz VNCKVPHHSLQJDT-UHFFFAOYSA-N 1 1 291.395 0.955 20 10 CCCDMO C[N@@H+](CCN1CC[NH2+]CC1)Cc1cccc(F)c1[O-] ZINC000843053297 616088328 /nfs/dbraw/zinc/08/83/28/616088328.db2.gz UKSHDUMGMRSJHI-UHFFFAOYSA-N 1 1 267.348 0.868 20 10 CCCDMO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](Cc2c(O)cccc2OC)C1 ZINC000843433615 616422774 /nfs/dbraw/zinc/42/27/74/616422774.db2.gz AWZIAPYGWWJDQJ-GHMZBOCLSA-N 1 1 295.335 0.757 20 10 CCCDMO COCCNCC[NH2+]Cc1cc(OC)ccc1O ZINC000841048722 616510519 /nfs/dbraw/zinc/51/05/19/616510519.db2.gz SJZIFWRZQQNYSF-UHFFFAOYSA-N 1 1 254.330 0.726 20 10 CCCDMO COC(=O)[C@@]1(O)CC[N@@H+](Cc2ccc(C)cc2O)C1 ZINC000895701569 616561394 /nfs/dbraw/zinc/56/13/94/616561394.db2.gz AFABVNRWQXIODG-CQSZACIVSA-N 1 1 265.309 0.810 20 10 CCCDMO COC(=O)[C@@]1(O)CC[N@@H+](Cc2cccc(OC)c2O)C1 ZINC000895706148 616562047 /nfs/dbraw/zinc/56/20/47/616562047.db2.gz DDTDMUVCBVOGJJ-CQSZACIVSA-N 1 1 281.308 0.511 20 10 CCCDMO CNC(=O)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000015571705 616590372 /nfs/dbraw/zinc/59/03/72/616590372.db2.gz NGZZGILVMFBASK-UHFFFAOYSA-N 1 1 277.368 0.701 20 10 CCCDMO CNC(=O)C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000015571705 616590379 /nfs/dbraw/zinc/59/03/79/616590379.db2.gz NGZZGILVMFBASK-UHFFFAOYSA-N 1 1 277.368 0.701 20 10 CCCDMO COC(=O)[C@H]1C[C@H](O)C[N@@H+](Cc2cc(OC)ccc2O)C1 ZINC000843434721 616724267 /nfs/dbraw/zinc/72/42/67/616724267.db2.gz MUEPYKNPTJPSFD-RYUDHWBXSA-N 1 1 295.335 0.757 20 10 CCCDMO COC(=O)[C@]1(O)CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000895702963 616786723 /nfs/dbraw/zinc/78/67/23/616786723.db2.gz IEBBWBWZUGESJV-ZDUSSCGKSA-N 1 1 269.272 0.641 20 10 CCCDMO CNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2c(C)cccc2O)C1 ZINC000876813282 617033360 /nfs/dbraw/zinc/03/33/60/617033360.db2.gz AZHOJSNDKOPBJW-LLVKDONJSA-N 1 1 284.381 0.824 20 10 CCCDMO [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000219824699 623837145 /nfs/dbraw/zinc/83/71/45/623837145.db2.gz VLEUIJBNLSPBPF-LLVKDONJSA-N 1 1 295.358 0.818 20 10 CCCDMO C[N@H+]1CC[C@H]1CNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000928554648 631982416 /nfs/dbraw/zinc/98/24/16/631982416.db2.gz JJWJGDRFVSGOMR-TZNOJPMFSA-N 1 1 262.309 0.931 20 10 CCCDMO Cc1cccc(C[N@H+]2CCN3[C@@H](CNS3(=O)=O)C2)c1O ZINC000897279506 632457819 /nfs/dbraw/zinc/45/78/19/632457819.db2.gz RTBVYWYRDUJYFT-LBPRGKRZSA-N 1 1 297.380 0.035 20 10 CCCDMO Cc1cc(C[N@H+]2C[C@@H](O)[C@H](CO)C2)ccc1N(C)C ZINC000839171446 640303496 /nfs/dbraw/zinc/30/34/96/640303496.db2.gz FZDMAQBNEBEFAZ-DZGCQCFKSA-N 1 1 264.369 0.846 20 10 CCCDMO CN(Cc1c(O)ccc(Cl)c1F)C[C@H](O)C[NH3+] ZINC000841093387 642802710 /nfs/dbraw/zinc/80/27/10/642802710.db2.gz RVQIIRQQQCKFQE-SSDOTTSWSA-N 1 1 262.712 0.936 20 10 CCCDMO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C1=CC(=O)CS1 ZINC000862648929 645015477 /nfs/dbraw/zinc/01/54/77/645015477.db2.gz MFQCGSLRQACODU-JTQLQIEISA-N 1 1 297.380 0.523 20 10 CCCDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C1=CC(=O)CS1 ZINC000862648929 645015489 /nfs/dbraw/zinc/01/54/89/645015489.db2.gz MFQCGSLRQACODU-JTQLQIEISA-N 1 1 297.380 0.523 20 10 CCCDMO Cc1cccc(O)c1C[N@@H+](C)C[C@H](O)CN1CCOCC1 ZINC000876759548 646659514 /nfs/dbraw/zinc/65/95/14/646659514.db2.gz LBXYAPWVVAIRHC-AWEZNQCLSA-N 1 1 294.395 0.826 20 10 CCCDMO NC(=O)[C@@H]1COCCC12C[NH+](Cc1c(O)cccc1F)C2 ZINC001277484035 805723178 /nfs/dbraw/zinc/72/31/78/805723178.db2.gz HMPNFQYYDCWXMY-NSHDSACASA-N 1 1 294.326 0.855 20 10 CCCDMO CNC(=O)C[N@H+](C)Cc1cc(Cl)c(O)cc1O ZINC001232258663 805914347 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ZINC001236783301 806609238 /nfs/dbraw/zinc/60/92/38/806609238.db2.gz JUSNSYDNNVXZCN-OCCSQVGLSA-N 1 1 251.326 0.740 20 10 CCCDMO CCc1ccc(C[N@@H+]2CCO[C@H](C(N)=O)C2)c(O)c1 ZINC001236791778 806610951 /nfs/dbraw/zinc/61/09/51/806610951.db2.gz KSUZGPWHBMWMQQ-ZDUSSCGKSA-N 1 1 264.325 0.641 20 10 CCCDMO CCc1ccc(C[N@H+]2CCO[C@H](C(N)=O)C2)c(O)c1 ZINC001236791778 806610955 /nfs/dbraw/zinc/61/09/55/806610955.db2.gz KSUZGPWHBMWMQQ-ZDUSSCGKSA-N 1 1 264.325 0.641 20 10 CCCDMO CCNC(=O)C[N@H+](C)Cc1cc(OC)cc(OC)c1O ZINC001237674425 806708074 /nfs/dbraw/zinc/70/80/74/806708074.db2.gz GZESQJAOXCYXCY-UHFFFAOYSA-N 1 1 282.340 0.977 20 10 CCCDMO CCNC(=O)C[N@@H+](C)Cc1cc(OC)cc(OC)c1O ZINC001237674425 806708076 /nfs/dbraw/zinc/70/80/76/806708076.db2.gz GZESQJAOXCYXCY-UHFFFAOYSA-N 1 1 282.340 0.977 20 10 CCCDMO COc1cc(C[N@@H+]2CCC[C@H]2C(N)=O)c(O)c(OC)c1 ZINC001237674442 806709076 /nfs/dbraw/zinc/70/90/76/806709076.db2.gz HSFJKUBQBOMPQI-NSHDSACASA-N 1 1 280.324 0.859 20 10 CCCDMO COc1cc(C[N@H+]2CCC[C@H]2C(N)=O)c(O)c(OC)c1 ZINC001237674442 806709077 /nfs/dbraw/zinc/70/90/77/806709077.db2.gz HSFJKUBQBOMPQI-NSHDSACASA-N 1 1 280.324 0.859 20 10 CCCDMO COc1cc(O)c(C[N@H+]2CC[C@@H](C(N)=O)C2)c(OC)c1 ZINC001141028192 799973726 /nfs/dbraw/zinc/97/37/26/799973726.db2.gz FJYTXAOMDMNMCW-SECBINFHSA-N 1 1 280.324 0.717 20 10 CCCDMO NC(=O)C1=NO[C@@H]2C[N@H+](Cc3cc(F)ccc3O)C[C@H]12 ZINC001278255698 806793845 /nfs/dbraw/zinc/79/38/45/806793845.db2.gz WLGUCWXFAWYQID-GXSJLCMTSA-N 1 1 279.271 0.203 20 10 CCCDMO NC(=O)C1=NO[C@@H]2C[N@@H+](Cc3cc(F)ccc3O)C[C@H]12 ZINC001278255698 806793849 /nfs/dbraw/zinc/79/38/49/806793849.db2.gz WLGUCWXFAWYQID-GXSJLCMTSA-N 1 1 279.271 0.203 20 10 CCCDMO COc1cccc(C[N@@H+]2CCN3C(=O)COC[C@@H]3C2)c1O ZINC001203597119 803036188 /nfs/dbraw/zinc/03/61/88/803036188.db2.gz VRKSDAUSESXUFQ-LBPRGKRZSA-N 1 1 292.335 0.444 20 10 CCCDMO COc1cccc(C[N@H+]2CCN3C(=O)COC[C@@H]3C2)c1O ZINC001203597119 803036195 /nfs/dbraw/zinc/03/61/95/803036195.db2.gz VRKSDAUSESXUFQ-LBPRGKRZSA-N 1 1 292.335 0.444 20 10 CCCDMO COC(=O)[C@H]1C[N@H+](Cc2ccc(O)c(O)c2)CCCO1 ZINC001203879829 803050972 /nfs/dbraw/zinc/05/09/72/803050972.db2.gz FYVYGEBZHUMQLM-CYBMUJFWSA-N 1 1 281.308 0.862 20 10 CCCDMO COC(=O)[C@H]1C[N@@H+](Cc2ccc(O)c(O)c2)CCCO1 ZINC001203879829 803050980 /nfs/dbraw/zinc/05/09/80/803050980.db2.gz FYVYGEBZHUMQLM-CYBMUJFWSA-N 1 1 281.308 0.862 20 10 CCCDMO NC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(O)cc1O ZINC001204275517 803075579 /nfs/dbraw/zinc/07/55/79/803075579.db2.gz UVDZVIOMVQMEBL-LLVKDONJSA-N 1 1 250.298 0.938 20 10 CCCDMO COc1cc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc(O)c1O ZINC001204340393 803079717 /nfs/dbraw/zinc/07/97/17/803079717.db2.gz PGYQHRGJPCWARI-SNVBAGLBSA-N 1 1 280.324 0.804 20 10 CCCDMO COc1cc(C[N@@H+]2CC[C@@H](O)[C@](C)(CO)C2)cc(O)c1O ZINC001204342359 803080047 /nfs/dbraw/zinc/08/00/47/803080047.db2.gz LAKCJDZGUFKGOW-HIFRSBDPSA-N 1 1 297.351 0.672 20 10 CCCDMO COc1cc(C[N@H+]2CC[C@@H](O)[C@](C)(CO)C2)cc(O)c1O ZINC001204342359 803080051 /nfs/dbraw/zinc/08/00/51/803080051.db2.gz LAKCJDZGUFKGOW-HIFRSBDPSA-N 1 1 297.351 0.672 20 10 CCCDMO CC(=O)c1cc(F)cc(C[N@@H+]2C[C@H](O)[C@H](CO)C2)c1O ZINC000316401564 804698509 /nfs/dbraw/zinc/69/85/09/804698509.db2.gz HDHIXPCDKVICSD-GWCFXTLKSA-N 1 1 283.299 0.519 20 10 CCCDMO CC(=O)c1cc(F)cc(C[N@H+]2C[C@H](O)[C@H](CO)C2)c1O ZINC000316401564 804698513 /nfs/dbraw/zinc/69/85/13/804698513.db2.gz HDHIXPCDKVICSD-GWCFXTLKSA-N 1 1 283.299 0.519 20 10 CCCDMO C[N@H+]1CC[C@@H](Oc2c(O)c(O)c(O)c(O)c2O)C1 ZINC001226464177 805234799 /nfs/dbraw/zinc/23/47/99/805234799.db2.gz DRBTWBJSDBXSCY-RXMQYKEDSA-N 1 1 257.242 0.298 20 10 CCCDMO COC(=O)Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C)c(O)c1 ZINC001249213882 807547272 /nfs/dbraw/zinc/54/72/72/807547272.db2.gz APUKIMFDOOHKHC-KBPBESRZSA-N 1 1 290.363 0.996 20 10 CCCDMO COC(=O)Cc1ccc(CN2C[C@@H]3C[C@H]2C[N@@H+]3C)c(O)c1 ZINC001249213882 807547276 /nfs/dbraw/zinc/54/72/76/807547276.db2.gz APUKIMFDOOHKHC-KBPBESRZSA-N 1 1 290.363 0.996 20 10 CCCDMO COC(=O)Cc1ccc(CN2C[C@@H]3C[C@H]2C[N@H+]3C)c(O)c1 ZINC001249213882 807547281 /nfs/dbraw/zinc/54/72/81/807547281.db2.gz APUKIMFDOOHKHC-KBPBESRZSA-N 1 1 290.363 0.996 20 10 CCCDMO COC[C@@H](O)C[N@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001252818990 807968666 /nfs/dbraw/zinc/96/86/66/807968666.db2.gz RTOJPXLJPOXBFB-LBPRGKRZSA-N 1 1 267.325 0.853 20 10 CCCDMO O=C(NCc1c(O)cccc1F)[C@@H]1CSC[NH2+]1 ZINC001263199536 809478779 /nfs/dbraw/zinc/47/87/79/809478779.db2.gz JTCPMWLRFBIELW-VIFPVBQESA-N 1 1 256.302 0.810 20 10 CCCDMO O=C1CC[C@@H]2C[N@H+](Cc3cc(O)ccc3O)CCN12 ZINC001141160407 811823781 /nfs/dbraw/zinc/82/37/81/811823781.db2.gz XNXHGFFRVFBIHY-LLVKDONJSA-N 1 1 262.309 0.904 20 10 CCCDMO O=C1CC[C@@H]2C[N@@H+](Cc3cc(O)ccc3O)CCN12 ZINC001141160407 811823787 /nfs/dbraw/zinc/82/37/87/811823787.db2.gz XNXHGFFRVFBIHY-LLVKDONJSA-N 1 1 262.309 0.904 20 10 CCCDMO O=C1COC[C@H]2C[N@H+](Cc3cc(O)ccc3O)CCN12 ZINC001141161759 811825407 /nfs/dbraw/zinc/82/54/07/811825407.db2.gz XDDALKKFGYBACQ-LLVKDONJSA-N 1 1 278.308 0.141 20 10 CCCDMO O=C1COC[C@H]2C[N@@H+](Cc3cc(O)ccc3O)CCN12 ZINC001141161759 811825414 /nfs/dbraw/zinc/82/54/14/811825414.db2.gz XDDALKKFGYBACQ-LLVKDONJSA-N 1 1 278.308 0.141 20 10 CCCDMO Nc1ccc(C[N@H+]2CCC[C@@H](N3CCNCC3=O)C2)cc1 ZINC001120268743 821525171 /nfs/dbraw/zinc/52/51/71/821525171.db2.gz IJONJDUSLZFNFI-OAHLLOKOSA-N 1 1 288.395 0.665 20 10 CCCDMO CN1CC[N@@H+](C)C[C@H]1C(=O)NCc1ccccc1O ZINC001185262555 844387261 /nfs/dbraw/zinc/38/72/61/844387261.db2.gz NUTXWXVCIZUWNG-LBPRGKRZSA-N 1 1 263.341 0.254 20 10 CCCDMO COc1ccc(C[N@H+]2CC[C@H](O)[C@H](CO)C2)c(O)c1 ZINC001203620448 844436184 /nfs/dbraw/zinc/43/61/84/844436184.db2.gz FXSYQTRYXIMYHQ-AAEUAGOBSA-N 1 1 267.325 0.576 20 10 CCCDMO C[C@@]1(O)COCC[N@@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144503788 840068269 /nfs/dbraw/zinc/06/82/69/840068269.db2.gz CYFUEGPNWMTBBJ-ZDUSSCGKSA-N 1 1 269.297 0.387 20 10 CCCDMO COCCOC1C[NH+](Cc2c(O)cc(O)cc2O)C1 ZINC001144520538 840070184 /nfs/dbraw/zinc/07/01/84/840070184.db2.gz UGYBPDODVYWBNV-UHFFFAOYSA-N 1 1 269.297 0.651 20 10 CCCDMO NC(=O)[C@@H]1CC[N@@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144509281 840072925 /nfs/dbraw/zinc/07/29/25/840072925.db2.gz RQLJMJYONIQLIG-SSDOTTSWSA-N 1 1 252.270 0.111 20 10 CCCDMO CNC(=O)[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000398510134 854481271 /nfs/dbraw/zinc/48/12/71/854481271.db2.gz OXKXDOKXPYZZMS-SECBINFHSA-N 1 1 278.308 0.689 20 10 CCCDMO CN(C)c1ccc([C@H](O)C(=O)N2[C@@H]3C[C@H]2C[N@@H+](C)C3)cc1 ZINC001272782147 897666486 /nfs/dbraw/zinc/66/64/86/897666486.db2.gz KHHIGWUDIANKHI-ZNMIVQPWSA-N 1 1 289.379 0.701 20 10 CCCDMO CN(C)c1ccc([C@H](O)C(=O)N2[C@@H]3C[C@H]2C[N@H+](C)C3)cc1 ZINC001272782147 897666493 /nfs/dbraw/zinc/66/64/93/897666493.db2.gz KHHIGWUDIANKHI-ZNMIVQPWSA-N 1 1 289.379 0.701 20 10 CCCDMO CCOc1cccc(C[N@@H+]2CCO[C@@H](CO)C2)c1O ZINC000271206478 353032482 /nfs/dbraw/zinc/03/24/82/353032482.db2.gz WGTXLBWIWZVQQG-GFCCVEGCSA-N 1 1 267.325 0.984 20 10 CCCDMO CCOc1cccc(C[N@H+]2CCO[C@@H](CO)C2)c1O ZINC000271206478 353032484 /nfs/dbraw/zinc/03/24/84/353032484.db2.gz WGTXLBWIWZVQQG-GFCCVEGCSA-N 1 1 267.325 0.984 20 10 CCCDMO NC(=O)N[C@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000272484894 353068061 /nfs/dbraw/zinc/06/80/61/353068061.db2.gz TWXRUAXHUVVQJA-JTQLQIEISA-N 1 1 253.277 0.774 20 10 CCCDMO Cc1cc(C[N@H+]2CC[C@@](O)(C(N)=O)C2)ccc1N(C)C ZINC000294768294 199174379 /nfs/dbraw/zinc/17/43/79/199174379.db2.gz YXWARIPDLYNCDE-HNNXBMFYSA-N 1 1 277.368 0.483 20 10 CCCDMO COc1cccc(C[N@H+]2CCCN(C(N)=O)CC2)c1O ZINC000092754231 389032404 /nfs/dbraw/zinc/03/24/04/389032404.db2.gz HJUFCXXLWAXYLJ-UHFFFAOYSA-N 1 1 279.340 0.987 20 10 CCCDMO C[NH+](C)C[C@](C)(O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000269760862 389426225 /nfs/dbraw/zinc/42/62/25/389426225.db2.gz BAGMTADJGQIVLU-CYBMUJFWSA-N 1 1 283.328 0.703 20 10 CCCDMO COc1ccc(O)c(C[N@@H+](C)CC(C)(CO)CO)c1 ZINC000180313962 389669503 /nfs/dbraw/zinc/66/95/03/389669503.db2.gz KBBQYUXKPQBYOD-UHFFFAOYSA-N 1 1 269.341 0.824 20 10 CCCDMO C[NH+]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000180580687 389672024 /nfs/dbraw/zinc/67/20/24/389672024.db2.gz PAVXCFCYGLUMQX-HWKANZROSA-N 1 1 262.309 0.885 20 10 CCCDMO COCC[N@@H+](C)CCNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181019459 389679626 /nfs/dbraw/zinc/67/96/26/389679626.db2.gz DBRPHVQSAMYVTE-GQCTYLIASA-N 1 1 294.351 0.805 20 10 CCCDMO CNC(=O)NC[C@H]1C[N@H+](Cc2cc(C)ccc2O)CCO1 ZINC000529641051 390848778 /nfs/dbraw/zinc/84/87/78/390848778.db2.gz JTLPFSFRFTWVEA-ZDUSSCGKSA-N 1 1 293.367 0.830 20 10 CCCDMO CNC(=O)NC[C@H]1C[N@@H+](Cc2cc(C)ccc2O)CCO1 ZINC000529641051 390848781 /nfs/dbraw/zinc/84/87/81/390848781.db2.gz JTLPFSFRFTWVEA-ZDUSSCGKSA-N 1 1 293.367 0.830 20 10 CCCDMO Nc1ccc(CC(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000091661996 260266242 /nfs/dbraw/zinc/26/62/42/260266242.db2.gz MOZQGUKSLOTBGT-HUUCEWRRSA-N 1 1 289.379 0.791 20 10 CCCDMO Nc1ccc(CC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000091661997 260266351 /nfs/dbraw/zinc/26/63/51/260266351.db2.gz MOZQGUKSLOTBGT-CABCVRRESA-N 1 1 289.379 0.791 20 10 CCCDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1cccc(O)c1O ZINC000126424098 260351331 /nfs/dbraw/zinc/35/13/31/260351331.db2.gz AHBDXIAKYRCJLU-SNVBAGLBSA-N 1 1 279.340 0.073 20 10 CCCDMO COc1c(O)c(C[NH2+]C[C@H](C)O)ccc1[N+](=O)[O-] ZINC000278551793 521878496 /nfs/dbraw/zinc/87/84/96/521878496.db2.gz ZDRVKUQWRYZNOJ-ZETCQYMHSA-N 1 1 256.258 0.779 20 10 CCCDMO Cc1cc(C[NH+]2CCN(CC(N)=O)CC2)ccc1N(C)C ZINC000293350278 524697007 /nfs/dbraw/zinc/69/70/07/524697007.db2.gz DPOOVBRTMPYNGQ-UHFFFAOYSA-N 1 1 290.411 0.664 20 10 CCCDMO OCC[N@@H+](CCN1CCOCC1)Cc1cc(F)ccc1O ZINC000779000473 581172692 /nfs/dbraw/zinc/17/26/92/581172692.db2.gz XTCYNAHLIKWMSL-UHFFFAOYSA-N 1 1 298.358 0.658 20 10 CCCDMO NS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1ccccc1O ZINC000779017634 581172697 /nfs/dbraw/zinc/17/26/97/581172697.db2.gz JKDIHHZTTRMNEM-LLVKDONJSA-N 1 1 270.354 0.645 20 10 CCCDMO COC[C@@H](CO)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000793325828 581294952 /nfs/dbraw/zinc/29/49/52/581294952.db2.gz VYVKTWRCFHVIRW-OAHLLOKOSA-N 1 1 293.411 0.535 20 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0.818 20 10 CCCDMO COc1cc(C)cc(CN2CC[N@@H+](C)C[C@H]2CO)c1O ZINC000895358884 617175083 /nfs/dbraw/zinc/17/50/83/617175083.db2.gz FUUCJEHGTBVJBZ-ZDUSSCGKSA-N 1 1 280.368 0.818 20 10 CCCDMO COc1ccc(O)c(C[N@H+]2CCC[C@@](O)(CO)C2)c1 ZINC000839153290 617272415 /nfs/dbraw/zinc/27/24/15/617272415.db2.gz FAESCQJETOMURK-AWEZNQCLSA-N 1 1 267.325 0.720 20 10 CCCDMO COc1ccc(O)c(C[N@H+]2CCN(C)C[C@@H]2CO)c1 ZINC000877644368 617272686 /nfs/dbraw/zinc/27/26/86/617272686.db2.gz ORIIVTSLRARWKU-GFCCVEGCSA-N 1 1 266.341 0.509 20 10 CCCDMO COc1ccc(O)c(CN2CC[N@H+](C)C[C@@H]2CO)c1 ZINC000877644368 617272687 /nfs/dbraw/zinc/27/26/87/617272687.db2.gz ORIIVTSLRARWKU-GFCCVEGCSA-N 1 1 266.341 0.509 20 10 CCCDMO COc1ccc(O)c(CN2CC[N@@H+](C)C[C@@H]2CO)c1 ZINC000877644368 617272688 /nfs/dbraw/zinc/27/26/88/617272688.db2.gz ORIIVTSLRARWKU-GFCCVEGCSA-N 1 1 266.341 0.509 20 10 CCCDMO COc1ccc(O)c(C[N@H+]2CCN(CCO)C[C@@H]2C)c1 ZINC000825338349 617272716 /nfs/dbraw/zinc/27/27/16/617272716.db2.gz OPHBJMPXWVZFLI-LBPRGKRZSA-N 1 1 280.368 0.899 20 10 CCCDMO COc1ccc(O)c(CN2CC[N@H+](CCO)C[C@@H]2C)c1 ZINC000825338349 617272717 /nfs/dbraw/zinc/27/27/17/617272717.db2.gz OPHBJMPXWVZFLI-LBPRGKRZSA-N 1 1 280.368 0.899 20 10 CCCDMO COc1ccc(O)c(CN2CC[N@@H+](CCO)C[C@@H]2C)c1 ZINC000825338349 617272718 /nfs/dbraw/zinc/27/27/18/617272718.db2.gz OPHBJMPXWVZFLI-LBPRGKRZSA-N 1 1 280.368 0.899 20 10 CCCDMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)c2ccc(N)cc2)C1 ZINC000877077652 615168878 /nfs/dbraw/zinc/16/88/78/615168878.db2.gz QIAFHOMZFXZOBJ-CYBMUJFWSA-N 1 1 263.341 0.952 20 10 CCCDMO CC[N@H+]1CCO[C@@H](C(=O)N(C)c2ccc(N)cc2)C1 ZINC000877077652 615168879 /nfs/dbraw/zinc/16/88/79/615168879.db2.gz QIAFHOMZFXZOBJ-CYBMUJFWSA-N 1 1 263.341 0.952 20 10 CCCDMO CCOc1ccc(CN(C)C[C@H](O)C[NH3+])c(O)c1 ZINC000841091625 615510240 /nfs/dbraw/zinc/51/02/40/615510240.db2.gz CFFKXIRNOBQHOD-LLVKDONJSA-N 1 1 254.330 0.542 20 10 CCCDMO CCOc1cccc(C[N@H+](C)CC(=O)NC)c1O ZINC000132116941 615516031 /nfs/dbraw/zinc/51/60/31/615516031.db2.gz ZGZMHQZASDTYCS-UHFFFAOYSA-N 1 1 252.314 0.969 20 10 CCCDMO CCOc1cccc(C[N@@H+](C)CC(=O)NC)c1O ZINC000132116941 615516033 /nfs/dbraw/zinc/51/60/33/615516033.db2.gz ZGZMHQZASDTYCS-UHFFFAOYSA-N 1 1 252.314 0.969 20 10 CCCDMO C[N@H+](Cc1ccccc1O)C[C@H](O)C[C@]1(O)CCOC1 ZINC000929976314 616170899 /nfs/dbraw/zinc/17/08/99/616170899.db2.gz MYVBFFIUUUJOIA-UKRRQHHQSA-N 1 1 281.352 0.726 20 10 CCCDMO C[N@H+](Cc1ccccc1O)C[C@@H](O)C[C@]1(O)CCOC1 ZINC000929976312 616171066 /nfs/dbraw/zinc/17/10/66/616171066.db2.gz MYVBFFIUUUJOIA-DZGCQCFKSA-N 1 1 281.352 0.726 20 10 CCCDMO C[N@H+]1CCC[C@](O)(CC(=O)NCc2ccc(O)cc2O)C1 ZINC000910955825 616218615 /nfs/dbraw/zinc/21/86/15/616218615.db2.gz GOMGDBYCOXWQLA-HNNXBMFYSA-N 1 1 294.351 0.561 20 10 CCCDMO CNC(=O)NC[C@@H]1C[N@H+](Cc2ccc(C)cc2O)CCO1 ZINC000877652442 616753450 /nfs/dbraw/zinc/75/34/50/616753450.db2.gz VMTNBOKLKULQHD-CYBMUJFWSA-N 1 1 293.367 0.830 20 10 CCCDMO CNC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C)cc2O)CCO1 ZINC000877652442 616753453 /nfs/dbraw/zinc/75/34/53/616753453.db2.gz VMTNBOKLKULQHD-CYBMUJFWSA-N 1 1 293.367 0.830 20 10 CCCDMO COC(=O)[C@]1(O)CC[N@@H+](Cc2c(C)cccc2O)C1 ZINC000895702546 616784930 /nfs/dbraw/zinc/78/49/30/616784930.db2.gz QGNYSQXSNIZORF-AWEZNQCLSA-N 1 1 265.309 0.810 20 10 CCCDMO COC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2O)C1 ZINC000895706188 616787612 /nfs/dbraw/zinc/78/76/12/616787612.db2.gz DZGOHRPZUIBVFA-ZDUSSCGKSA-N 1 1 251.282 0.502 20 10 CCCDMO Cc1ccc(C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)c(O)c1O ZINC000187281462 625433546 /nfs/dbraw/zinc/43/35/46/625433546.db2.gz KFGIJTGZZFQZCP-NSHDSACASA-N 1 1 294.351 0.545 20 10 CCCDMO Cc1ccc(C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)c(O)c1O ZINC000187281462 625433548 /nfs/dbraw/zinc/43/35/48/625433548.db2.gz KFGIJTGZZFQZCP-NSHDSACASA-N 1 1 294.351 0.545 20 10 CCCDMO NC(=O)[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccc2ccccc2c1O ZINC000895946493 632178404 /nfs/dbraw/zinc/17/84/04/632178404.db2.gz QXKIWWOWWZTZPF-OCCSQVGLSA-N 1 1 286.331 0.966 20 10 CCCDMO O=C1NC(=O)[C@@H]2C[N@H+](Cc3c(O)ccc(Cl)c3F)C[C@H]12 ZINC000824893231 641851306 /nfs/dbraw/zinc/85/13/06/641851306.db2.gz NTVMULLMVWQMGN-KNVOCYPGSA-N 1 1 298.701 0.889 20 10 CCCDMO O=C1NC(=O)[C@@H]2C[N@@H+](Cc3c(O)ccc(Cl)c3F)C[C@H]12 ZINC000824893231 641851307 /nfs/dbraw/zinc/85/13/07/641851307.db2.gz NTVMULLMVWQMGN-KNVOCYPGSA-N 1 1 298.701 0.889 20 10 CCCDMO Cc1ccc(C(=O)N2CC[N@@H+](CCO)C[C@@H]2C)c(O)c1O ZINC000837192582 642728829 /nfs/dbraw/zinc/72/88/29/642728829.db2.gz VMJYADNEXVYXGA-NSHDSACASA-N 1 1 294.351 0.545 20 10 CCCDMO Cc1ccc(C(=O)N2CC[N@H+](CCO)C[C@@H]2C)c(O)c1O ZINC000837192582 642728841 /nfs/dbraw/zinc/72/88/41/642728841.db2.gz VMJYADNEXVYXGA-NSHDSACASA-N 1 1 294.351 0.545 20 10 CCCDMO C[C@@H](O)[C@@H](CO)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000842221211 642882976 /nfs/dbraw/zinc/88/29/76/642882976.db2.gz PSFKTMJXIJTWNR-CZUORRHYSA-N 1 1 293.411 0.270 20 10 CCCDMO Cc1cccc(C[N@H+]2CCO[C@H](CC(N)=O)C2)c1O ZINC000862535565 645004358 /nfs/dbraw/zinc/00/43/58/645004358.db2.gz RUNVDZCOCVLIJJ-GFCCVEGCSA-N 1 1 264.325 0.777 20 10 CCCDMO Cc1cc(O)c(C[N@@H+](C)CCS(N)(=O)=O)cc1C ZINC000872822317 646327789 /nfs/dbraw/zinc/32/77/89/646327789.db2.gz BNNRWNDLKRAOTF-UHFFFAOYSA-N 1 1 272.370 0.729 20 10 CCCDMO Cc1cccc(C[N@@H+]2CCN(C)C[C@@H]2CO)c1O ZINC000877644904 646831787 /nfs/dbraw/zinc/83/17/87/646831787.db2.gz VGMHWLHZMVOWAR-CYBMUJFWSA-N 1 1 250.342 0.809 20 10 CCCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000877750724 646838890 /nfs/dbraw/zinc/83/88/90/646838890.db2.gz XCBSVQAYFFRTHI-CABCVRRESA-N 1 1 264.369 0.989 20 10 CCCDMO COc1cc(C[N@H+]2CC[C@@H](O)[C@@H](CO)C2)c(O)cc1O ZINC001231633887 805823182 /nfs/dbraw/zinc/82/31/82/805823182.db2.gz CEXRKGGCNRPPSB-GHMZBOCLSA-N 1 1 283.324 0.282 20 10 CCCDMO COc1cc(C[N@@H+](C)CCN2CCOCC2)c(O)cc1O ZINC001231635072 805823276 /nfs/dbraw/zinc/82/32/76/805823276.db2.gz VEICJRUUTBQXBT-UHFFFAOYSA-N 1 1 296.367 0.870 20 10 CCCDMO CNC(=O)NC1CC[NH+](Cc2cc(O)c(O)c(O)c2)CC1 ZINC001233015748 806005959 /nfs/dbraw/zinc/00/59/59/806005959.db2.gz GSELJFPTUDQFDY-UHFFFAOYSA-N 1 1 295.339 0.697 20 10 CCCDMO Oc1cc(O)c(C[N@H+]2C[C@@H]3COC[C@@H]3C2)cc1O ZINC001233483629 806059900 /nfs/dbraw/zinc/05/99/00/806059900.db2.gz GPFHXJCHKLITJQ-AOOOYVTPSA-N 1 1 251.282 0.882 20 10 CCCDMO Oc1cc(O)c(C[N@H+]2CC[C@H](N3CCOCC3)C2)cc1O ZINC001233485269 806060961 /nfs/dbraw/zinc/06/09/61/806060961.db2.gz OXAUVADQXHHAHO-LBPRGKRZSA-N 1 1 294.351 0.710 20 10 CCCDMO O=C([O-])c1ccc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)c(O)c1 ZINC001234990418 806334765 /nfs/dbraw/zinc/33/47/65/806334765.db2.gz SNLVOKLBNXXUKE-HNNXBMFYSA-N 1 1 291.351 0.228 20 10 CCCDMO COC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1ccc(F)c(F)c1O ZINC001236200794 806554126 /nfs/dbraw/zinc/55/41/26/806554126.db2.gz JRAYTGDEOWIWJR-SCZZXKLOSA-N 1 1 286.278 0.745 20 10 CCCDMO COc1cc(C)c(C[N@@H+]2CCO[C@H](CO)C2)c(O)c1 ZINC001236808996 806612322 /nfs/dbraw/zinc/61/23/22/806612322.db2.gz SLGZZSYGYJVSNM-LBPRGKRZSA-N 1 1 267.325 0.902 20 10 CCCDMO COc1cc(C)c(C[N@H+]2CCO[C@H](CO)C2)c(O)c1 ZINC001236808996 806612327 /nfs/dbraw/zinc/61/23/27/806612327.db2.gz SLGZZSYGYJVSNM-LBPRGKRZSA-N 1 1 267.325 0.902 20 10 CCCDMO OC[C@H]1C[N@H+](Cc2cccc(F)c2O)CC[C@@H]1O ZINC001138123826 799703256 /nfs/dbraw/zinc/70/32/56/799703256.db2.gz NNRBBMYSCOCQTO-PWSUYJOCSA-N 1 1 255.289 0.706 20 10 CCCDMO OC[C@H]1C[N@@H+](Cc2cccc(F)c2O)CC[C@@H]1O ZINC001138123826 799703262 /nfs/dbraw/zinc/70/32/62/799703262.db2.gz NNRBBMYSCOCQTO-PWSUYJOCSA-N 1 1 255.289 0.706 20 10 CCCDMO Cc1ccc(C)c(C[N@H+]2C[C@H](O)[C@@H](CO)C2)c1O ZINC001140178392 799885490 /nfs/dbraw/zinc/88/54/90/799885490.db2.gz KKVLEPFOODIIGV-YPMHNXCESA-N 1 1 251.326 0.794 20 10 CCCDMO Cc1c(O)ccc(C[N@H+](C)CC(=O)N(C)C)c1O ZINC001140745993 799939762 /nfs/dbraw/zinc/93/97/62/799939762.db2.gz RSEICCJVUZPDKM-UHFFFAOYSA-N 1 1 252.314 0.926 20 10 CCCDMO COc1cc(O)c(C[N@H+]2CCOC[C@](C)(O)C2)c(OC)c1 ZINC001141032092 799973908 /nfs/dbraw/zinc/97/39/08/799973908.db2.gz RTHGLXGFJLSEIL-OAHLLOKOSA-N 1 1 297.351 0.993 20 10 CCCDMO C[C@]1(CO)CC[N@@H+](Cc2ccc(O)cc2O)C[C@H]1O ZINC001204276958 803076358 /nfs/dbraw/zinc/07/63/58/803076358.db2.gz UQKZHWZCXHBOKP-ZIAGYGMSSA-N 1 1 267.325 0.663 20 10 CCCDMO CC(=O)N(C)C1C[NH+](Cc2ccc(O)cc2O)C1 ZINC001204279253 803076641 /nfs/dbraw/zinc/07/66/41/803076641.db2.gz UBYRKFHCPPEAEQ-UHFFFAOYSA-N 1 1 250.298 0.760 20 10 CCCDMO OC[C@H]1C[N@@H+](Cc2ccc(O)cc2O)CC[C@@H]1O ZINC001204276544 803077181 /nfs/dbraw/zinc/07/71/81/803077181.db2.gz MONTUNJQUBIOSA-PWSUYJOCSA-N 1 1 253.298 0.273 20 10 CCCDMO COc1cc(C[N@H+]2C[C@H]3CN(C)C(=O)[C@H]3C2)cc(O)c1O ZINC001204343261 803080359 /nfs/dbraw/zinc/08/03/59/803080359.db2.gz RESJVOBXQYXVJS-MNOVXSKESA-N 1 1 292.335 0.626 20 10 CCCDMO [NH3+]C[C@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])C[C@H]1O ZINC001206475370 803250070 /nfs/dbraw/zinc/25/00/70/803250070.db2.gz NFYOSILTKVHHRS-GXSJLCMTSA-N 1 1 256.733 0.797 20 10 CCCDMO C[N@H+]1C[C@@H]2COC[C@H](C1)N2c1ccc2c(c1)OCCO2 ZINC001277014610 805100314 /nfs/dbraw/zinc/10/03/14/805100314.db2.gz UWDBQIKHKYZDEL-BETUJISGSA-N 1 1 276.336 0.977 20 10 CCCDMO COc1cc(O)c(C[N@H+]2CCOC[C@H](O)C2)c(OC)c1 ZINC001141031444 811672234 /nfs/dbraw/zinc/67/22/34/811672234.db2.gz DXKXMWSYJYHLIU-SNVBAGLBSA-N 1 1 283.324 0.603 20 10 CCCDMO C[N@@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)c1ccc(O)c(O)c1 ZINC001270037985 813595953 /nfs/dbraw/zinc/59/59/53/813595953.db2.gz QCTLFXMWEIKESI-PHIMTYICSA-N 1 1 278.308 0.253 20 10 CCCDMO C[N@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)c1ccc(O)c(O)c1 ZINC001270037985 813595957 /nfs/dbraw/zinc/59/59/57/813595957.db2.gz QCTLFXMWEIKESI-PHIMTYICSA-N 1 1 278.308 0.253 20 10 CCCDMO C[N@H+]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccc(O)c(O)c1O)C2 ZINC001270067442 813611842 /nfs/dbraw/zinc/61/18/42/813611842.db2.gz JBUBAHVFHJJFIP-BDAKNGLRSA-N 1 1 278.308 0.580 20 10 CCCDMO C[N@H+]1C[C@H]2CN(C(=O)Cc3ccc(O)c(O)c3)C[C@@H](C1)O2 ZINC001270577658 813820182 /nfs/dbraw/zinc/82/01/82/813820182.db2.gz ZHCDNHDWPDKHSY-TXEJJXNPSA-N 1 1 292.335 0.182 20 10 CCCDMO C[N@@H+]1C[C@H]2CN(C(=O)Cc3ccc(O)c(O)c3)C[C@@H](C1)O2 ZINC001270577658 813820189 /nfs/dbraw/zinc/82/01/89/813820189.db2.gz ZHCDNHDWPDKHSY-TXEJJXNPSA-N 1 1 292.335 0.182 20 10 CCCDMO CS(=O)(=O)NCCC[NH2+]Cc1cc(F)cc(F)c1O ZINC000708560261 819788992 /nfs/dbraw/zinc/78/89/92/819788992.db2.gz XDHXROSXDIIXLT-UHFFFAOYSA-N 1 1 294.323 0.699 20 10 CCCDMO CCOc1cccc(C[N@H+]2C[C@H](O)[C@H](CO)C2)c1O ZINC001203603230 844316776 /nfs/dbraw/zinc/31/67/76/844316776.db2.gz LAGRWBZRNOKFSL-RYUDHWBXSA-N 1 1 267.325 0.576 20 10 CCCDMO CN1CC[N@H+](Cc2c(O)cc(O)cc2O)CC1=O ZINC001144499803 840067590 /nfs/dbraw/zinc/06/75/90/840067590.db2.gz JQHZVXVYDHEBDY-UHFFFAOYSA-N 1 1 252.270 0.077 20 10 CCCDMO CN1CC[N@@H+](Cc2c(O)cc(O)cc2O)CC1=O ZINC001144499803 840067595 /nfs/dbraw/zinc/06/75/95/840067595.db2.gz JQHZVXVYDHEBDY-UHFFFAOYSA-N 1 1 252.270 0.077 20 10 CCCDMO CC(C)(C)[N@H+](Cc1c(O)cc(O)cc1O)C[C@@H](O)CO ZINC001144504334 840069660 /nfs/dbraw/zinc/06/96/60/840069660.db2.gz PWTOVCZUCHJBGQ-SNVBAGLBSA-N 1 1 285.340 0.757 20 10 CCCDMO CC(=O)[C@@H]1C[N@H+](Cc2c(O)cc(O)cc2O)CCO1 ZINC001144520206 840070100 /nfs/dbraw/zinc/07/01/00/840070100.db2.gz KYRIJANIXXHEIV-ZDUSSCGKSA-N 1 1 267.281 0.593 20 10 CCCDMO CC(=O)[C@@H]1C[N@@H+](Cc2c(O)cc(O)cc2O)CCO1 ZINC001144520206 840070103 /nfs/dbraw/zinc/07/01/03/840070103.db2.gz KYRIJANIXXHEIV-ZDUSSCGKSA-N 1 1 267.281 0.593 20 10 CCCDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3cc(O)c(O)c(O)c3)C[C@H]21 ZINC001148588123 840853232 /nfs/dbraw/zinc/85/32/32/840853232.db2.gz OXUDYFUETULUIP-GXSJLCMTSA-N 1 1 292.335 0.970 20 10 CCCDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCc3cccc(O)c3C2)C1 ZINC001180757799 843281170 /nfs/dbraw/zinc/28/11/70/843281170.db2.gz AHEYJNQEOMFOFC-CQSZACIVSA-N 1 1 276.336 0.608 20 10 CCCDMO C[N@H+]1CCO[C@@H](C(=O)N2CCc3cccc(O)c3C2)C1 ZINC001180757799 843281184 /nfs/dbraw/zinc/28/11/84/843281184.db2.gz AHEYJNQEOMFOFC-CQSZACIVSA-N 1 1 276.336 0.608 20 10 CCCDMO Cc1c(O)ccc(C[N@@H+]2C[C@H]3CN(C)C[C@@H](C2)O3)c1O ZINC001276118305 848929519 /nfs/dbraw/zinc/92/95/19/848929519.db2.gz 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924861610 /nfs/dbraw/zinc/86/16/10/924861610.db2.gz XNQGRODJTIIQIN-OUCADQQQSA-N 1 1 289.379 0.958 20 10 CCCDMO O=C(C[NH+]1CCC(CO)CC1)NCc1cccc(O)c1O ZINC001350315744 925167924 /nfs/dbraw/zinc/16/79/24/925167924.db2.gz QZYWCFGSZMOHAF-UHFFFAOYSA-N 1 1 294.351 0.418 20 10 CCCDMO CN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC001352870453 925662482 /nfs/dbraw/zinc/66/24/82/925662482.db2.gz MFKDCMRCQHYMOH-LBPRGKRZSA-N 1 1 291.351 0.171 20 10 CCCDMO CN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC001352870453 925662486 /nfs/dbraw/zinc/66/24/86/925662486.db2.gz MFKDCMRCQHYMOH-LBPRGKRZSA-N 1 1 291.351 0.171 20 10 CCCDMO COc1cccc(C[N@@H+]2CCO[C@@H](CO)C2)c1O ZINC000271198368 353031898 /nfs/dbraw/zinc/03/18/98/353031898.db2.gz SGEQEIDHYPHRNI-LLVKDONJSA-N 1 1 253.298 0.594 20 10 CCCDMO COc1cccc(C[N@H+]2CCO[C@@H](CO)C2)c1O ZINC000271198368 353031901 /nfs/dbraw/zinc/03/19/01/353031901.db2.gz SGEQEIDHYPHRNI-LLVKDONJSA-N 1 1 253.298 0.594 20 10 CCCDMO CC[N@@H+](C)CCNC(=O)c1c(F)ccc(O)c1O ZINC000295276497 353892518 /nfs/dbraw/zinc/89/25/18/353892518.db2.gz OYURYWZUMZTEIJ-UHFFFAOYSA-N 1 1 256.277 0.918 20 10 CCCDMO O=C1CC[N@@H+](Cc2cc3c(cc2O)OCO3)CCN1 ZINC000044780984 388871936 /nfs/dbraw/zinc/87/19/36/388871936.db2.gz MHFCODAHHOJKMS-UHFFFAOYSA-N 1 1 264.281 0.443 20 10 CCCDMO COCC[N@H+](Cc1cccc(OC)c1O)[C@@H](C)C(N)=O ZINC000093138840 389035445 /nfs/dbraw/zinc/03/54/45/389035445.db2.gz XOZGOXWQOOKGBZ-JTQLQIEISA-N 1 1 282.340 0.723 20 10 CCCDMO COCC[N@@H+](Cc1cccc(OC)c1O)[C@@H](C)C(N)=O ZINC000093138840 389035450 /nfs/dbraw/zinc/03/54/50/389035450.db2.gz XOZGOXWQOOKGBZ-JTQLQIEISA-N 1 1 282.340 0.723 20 10 CCCDMO Cc1ccc(O)c(C[N@H+]2CCN3C(=O)NC[C@@H]3C2)c1 ZINC000156062841 389323170 /nfs/dbraw/zinc/32/31/70/389323170.db2.gz QBNYWWCPOCLLSG-GFCCVEGCSA-N 1 1 261.325 0.910 20 10 CCCDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CC[C@H](CO)C2)cc1 ZINC000174705958 389528484 /nfs/dbraw/zinc/52/84/84/389528484.db2.gz XRVLRLICJCZTKV-AWEZNQCLSA-N 1 1 291.395 0.683 20 10 CCCDMO 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HUPHYFOZRHSLEX-HUUCEWRRSA-N 1 1 289.379 0.842 20 10 CCCDMO COc1cccc(C[N@@H+]2CCO[C@@H](CC(N)=O)C2)c1O ZINC000862535639 617297546 /nfs/dbraw/zinc/29/75/46/617297546.db2.gz URJGXQLSEOGMLH-NSHDSACASA-N 1 1 280.324 0.477 20 10 CCCDMO COc1cccc(C[N@H+]2CCO[C@@H](CC(N)=O)C2)c1O ZINC000862535639 617297547 /nfs/dbraw/zinc/29/75/47/617297547.db2.gz URJGXQLSEOGMLH-NSHDSACASA-N 1 1 280.324 0.477 20 10 CCCDMO CC(C)(O)C[NH+]1CCN(C(=O)c2cccc(O)c2O)CC1 ZINC000126434107 614187501 /nfs/dbraw/zinc/18/75/01/614187501.db2.gz KAXOJRAVBOMVFF-UHFFFAOYSA-N 1 1 294.351 0.627 20 10 CCCDMO CCc1cccc(C[NH+]2CCN(C(=O)CO)CC2)c1O ZINC000848909634 615683106 /nfs/dbraw/zinc/68/31/06/615683106.db2.gz YOMSLOUNYRUUHN-UHFFFAOYSA-N 1 1 278.352 0.591 20 10 CCCDMO CN(C)c1ccc(C[N@H+]2CC[C@@H](CS(N)(=O)=O)C2)cc1 ZINC000932952720 616014254 /nfs/dbraw/zinc/01/42/54/616014254.db2.gz XOXJUWAXPKCMAM-CYBMUJFWSA-N 1 1 297.424 0.863 20 10 CCCDMO C[N@@H+](CCO)CCNC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000925001909 616102509 /nfs/dbraw/zinc/10/25/09/616102509.db2.gz ZAYQLDNZAMYVGP-HYXAFXHYSA-N 1 1 280.324 0.151 20 10 CCCDMO C[N@H+]1CCC[C@@](O)(CC(=O)NCc2ccc(O)cc2O)C1 ZINC000910955826 616202089 /nfs/dbraw/zinc/20/20/89/616202089.db2.gz GOMGDBYCOXWQLA-OAHLLOKOSA-N 1 1 294.351 0.561 20 10 CCCDMO COCCOCC[N@@H+](CCO)Cc1cc(F)ccc1O ZINC000862468889 616541495 /nfs/dbraw/zinc/54/14/95/616541495.db2.gz RJQWDJFOQYIOEO-UHFFFAOYSA-N 1 1 287.331 0.989 20 10 CCCDMO NC(=O)[C@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000160362960 624760853 /nfs/dbraw/zinc/76/08/53/624760853.db2.gz OYZABSKODMCUTF-SECBINFHSA-N 1 1 264.281 0.571 20 10 CCCDMO NC(=O)[C@H]1CCC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000160362960 624760861 /nfs/dbraw/zinc/76/08/61/624760861.db2.gz OYZABSKODMCUTF-SECBINFHSA-N 1 1 264.281 0.571 20 10 CCCDMO NC(=O)[C@H]1C[N@H+](Cc2cc3c(cc2O)CCC3)CCO1 ZINC000050926904 624841551 /nfs/dbraw/zinc/84/15/51/624841551.db2.gz FCHNCYDEYZFMEM-CQSZACIVSA-N 1 1 276.336 0.567 20 10 CCCDMO NC(=O)[C@H]1C[N@@H+](Cc2cc3c(cc2O)CCC3)CCO1 ZINC000050926904 624841552 /nfs/dbraw/zinc/84/15/52/624841552.db2.gz FCHNCYDEYZFMEM-CQSZACIVSA-N 1 1 276.336 0.567 20 10 CCCDMO COc1ccc(N2CC[NH+](C[C@@H](O)CO)CC2)c(OC)c1 ZINC000107512100 631318520 /nfs/dbraw/zinc/31/85/20/631318520.db2.gz VLDKYJLHBOEZKT-GFCCVEGCSA-N 1 1 296.367 0.179 20 10 CCCDMO OCCC[N@H+](CCO)Cc1cc(F)cc(F)c1O ZINC000894021325 631501972 /nfs/dbraw/zinc/50/19/72/631501972.db2.gz MQAZKGUIBNLAIO-UHFFFAOYSA-N 1 1 261.268 0.847 20 10 CCCDMO OCCC[N@@H+](CCO)Cc1cc(F)cc(F)c1O ZINC000894021325 631501976 /nfs/dbraw/zinc/50/19/76/631501976.db2.gz MQAZKGUIBNLAIO-UHFFFAOYSA-N 1 1 261.268 0.847 20 10 CCCDMO C[C@H](NC(=O)C1=CC(=O)CS1)[C@H]1C[N@H+](C)CCN1C ZINC000896560159 632280281 /nfs/dbraw/zinc/28/02/81/632280281.db2.gz MJQHPNLBWRRXCC-GXSJLCMTSA-N 1 1 283.397 0.818 20 10 CCCDMO C[C@H](NC(=O)C1=CC(=O)CS1)[C@H]1C[N@@H+](C)CCN1C ZINC000896560159 632280300 /nfs/dbraw/zinc/28/03/00/632280300.db2.gz MJQHPNLBWRRXCC-GXSJLCMTSA-N 1 1 283.397 0.818 20 10 CCCDMO C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)C[C@@H]1O ZINC000897684459 633230037 /nfs/dbraw/zinc/23/00/37/633230037.db2.gz PMVKJRHNJUAVFX-KCJUWKMLSA-N 1 1 251.282 0.934 20 10 CCCDMO COCCCNC(=O)C[N@H+](C)Cc1cc(OC)ccc1O ZINC000179619546 638235516 /nfs/dbraw/zinc/23/55/16/638235516.db2.gz JXJRBYQBMMLHRY-UHFFFAOYSA-N 1 1 296.367 0.985 20 10 CCCDMO COCCCNC(=O)C[N@@H+](C)Cc1cc(OC)ccc1O ZINC000179619546 638235518 /nfs/dbraw/zinc/23/55/18/638235518.db2.gz JXJRBYQBMMLHRY-UHFFFAOYSA-N 1 1 296.367 0.985 20 10 CCCDMO C[C@@H]1CN(C(=O)c2cccc(O)c2O)C[C@H](C)[N@H+]1CCO ZINC000836868598 642714420 /nfs/dbraw/zinc/71/44/20/642714420.db2.gz OIQWMXVHMAWLFR-PHIMTYICSA-N 1 1 294.351 0.625 20 10 CCCDMO C[C@@H]1CN(C(=O)c2cccc(O)c2O)C[C@H](C)[N@@H+]1CCO ZINC000836868598 642714427 /nfs/dbraw/zinc/71/44/27/642714427.db2.gz OIQWMXVHMAWLFR-PHIMTYICSA-N 1 1 294.351 0.625 20 10 CCCDMO O=[S@@]1C[C@@H]2C[C@H]1C[N@H+]2Cc1cc2c(cc1O)OC[C@H]2O ZINC000844747873 643244028 /nfs/dbraw/zinc/24/40/28/643244028.db2.gz DGFVVFIBWHULBZ-JFRAMCACSA-N 1 1 295.360 0.523 20 10 CCCDMO O=[S@@]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cc2c(cc1O)OC[C@H]2O ZINC000844747873 643244032 /nfs/dbraw/zinc/24/40/32/643244032.db2.gz DGFVVFIBWHULBZ-JFRAMCACSA-N 1 1 295.360 0.523 20 10 CCCDMO O=C([C@@H]1C[N@H+]2CCN1CCC2)N1Cc2cccc(O)c2C1 ZINC000871203829 646119332 /nfs/dbraw/zinc/11/93/32/646119332.db2.gz SGXKBHJVHDPERO-AWEZNQCLSA-N 1 1 287.363 0.624 20 10 CCCDMO Cc1cccc(O)c1C[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000876750928 646657288 /nfs/dbraw/zinc/65/72/88/646657288.db2.gz KQVZVRNPGHNHSG-NSHDSACASA-N 1 1 284.381 0.824 20 10 CCCDMO OC[C@@H](O)C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000929969758 648808502 /nfs/dbraw/zinc/80/85/02/648808502.db2.gz DADYPCWETODBGW-UONOGXRCSA-N 1 1 281.352 0.726 20 10 CCCDMO OC[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)C[C@@H]1O ZINC000930699859 648891660 /nfs/dbraw/zinc/89/16/60/648891660.db2.gz LNWBKIYOOJSYOD-ZBFHGGJFSA-N 1 1 292.379 0.308 20 10 CCCDMO C[C@@H]1CN(Cc2cc3c(cc2O)OCO3)CC[N@H+]1CCO ZINC000190240597 649438606 /nfs/dbraw/zinc/43/86/06/649438606.db2.gz KRTQCQNFQYWLKI-LLVKDONJSA-N 1 1 294.351 0.619 20 10 CCCDMO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)CCN1CCO ZINC000190240597 649438607 /nfs/dbraw/zinc/43/86/07/649438607.db2.gz KRTQCQNFQYWLKI-LLVKDONJSA-N 1 1 294.351 0.619 20 10 CCCDMO C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)CCN1CCO ZINC000190240597 649438609 /nfs/dbraw/zinc/43/86/09/649438609.db2.gz KRTQCQNFQYWLKI-LLVKDONJSA-N 1 1 294.351 0.619 20 10 CCCDMO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](O)[C@H](CO)C2)c1O ZINC000396850725 790551081 /nfs/dbraw/zinc/55/10/81/790551081.db2.gz KRWYKEYWDUWOJO-SMDDNHRTSA-N 1 1 297.326 0.909 20 10 CCCDMO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](O)[C@H](CO)C2)c1O ZINC000396850725 790551091 /nfs/dbraw/zinc/55/10/91/790551091.db2.gz KRWYKEYWDUWOJO-SMDDNHRTSA-N 1 1 297.326 0.909 20 10 CCCDMO COc1cc(C[N@H+]2C[C@H](C)[C@H](O)C2)c(O)cc1O ZINC001231634523 805823407 /nfs/dbraw/zinc/82/34/07/805823407.db2.gz OKJSAZNLFAUMNQ-QPUJVOFHSA-N 1 1 253.298 0.919 20 10 CCCDMO COc1cc(C[N@@H+]2C[C@H](O)[C@@H](C)C2)c(O)cc1O ZINC001231633435 805821957 /nfs/dbraw/zinc/82/19/57/805821957.db2.gz OKJSAZNLFAUMNQ-UFBFGSQYSA-N 1 1 253.298 0.919 20 10 CCCDMO Cc1cc(C)c(C[N@H+]2C[C@@H](O)[C@H](CO)C2)c(O)c1 ZINC001231842161 805861371 /nfs/dbraw/zinc/86/13/71/805861371.db2.gz KHOCCEUESVBSKY-SMDDNHRTSA-N 1 1 251.326 0.794 20 10 CCCDMO NC(=O)C1C[NH+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232266984 805916461 /nfs/dbraw/zinc/91/64/61/805916461.db2.gz GXAVZPNTQHHRAW-UHFFFAOYSA-N 1 1 256.689 0.668 20 10 CCCDMO OC[C@@H]1CC[N@@H+](Cc2cc(Cl)c(O)cc2O)C[C@@H]1O ZINC001232259994 805914711 /nfs/dbraw/zinc/91/47/11/805914711.db2.gz OFYQVGUUIMIBIV-SDBXPKJASA-N 1 1 287.743 0.926 20 10 CCCDMO NC(=O)C[C@@H]1C[C@@H]2C[N@@H+](Cc3cc(O)ccc3O)C[C@@H]2O1 ZINC001277657983 805932277 /nfs/dbraw/zinc/93/22/77/805932277.db2.gz VNZQXEWHYKNHNA-OSMZGAPFSA-N 1 1 292.335 0.563 20 10 CCCDMO Oc1cc(O)c(C[NH+]2CC3(CC(O)C3)C2)cc1O ZINC001233482281 806058880 /nfs/dbraw/zinc/05/88/80/806058880.db2.gz IGENTGANUQLAEV-UHFFFAOYSA-N 1 1 251.282 0.760 20 10 CCCDMO [NH3+]CCN(CC[NH3+])Cc1c([O-])ccc(F)c1Cl ZINC001235879454 806513663 /nfs/dbraw/zinc/51/36/63/806513663.db2.gz CEBRGQAMABIZSK-UHFFFAOYSA-N 1 1 261.728 0.904 20 10 CCCDMO CN1CCN(c2ccc(CN3C[C@H]4C[NH2+]C[C@@H]43)cc2)CC1 ZINC001236284292 806560576 /nfs/dbraw/zinc/56/05/76/806560576.db2.gz HMUZCRYGFLEIGP-WBVHZDCISA-N 1 1 286.423 0.842 20 10 CCCDMO C[C@@H]1C[NH+](Cc2c(O)cc(O)cc2O)C[C@@H](C)N1 ZINC001236578000 806594915 /nfs/dbraw/zinc/59/49/15/806594915.db2.gz JPIYWTWNLWDPPC-RKDXNWHRSA-N 1 1 252.314 0.986 20 10 CCCDMO C[N@H+](Cc1cc(F)c(Cl)cc1[O-])C[C@@H](O)CO ZINC001237938696 806737230 /nfs/dbraw/zinc/73/72/30/806737230.db2.gz NKEBBWVSCPYKKW-MRVPVSSYSA-N 1 1 263.696 0.970 20 10 CCCDMO C[N@@H+](Cc1cc(F)c(Cl)cc1O)C[C@@H](O)CO ZINC001237938696 806737234 /nfs/dbraw/zinc/73/72/34/806737234.db2.gz NKEBBWVSCPYKKW-MRVPVSSYSA-N 1 1 263.696 0.970 20 10 CCCDMO C[N@H+](Cc1cc(F)c(Cl)cc1O)C[C@@H](O)CO ZINC001237938696 806737236 /nfs/dbraw/zinc/73/72/36/806737236.db2.gz NKEBBWVSCPYKKW-MRVPVSSYSA-N 1 1 263.696 0.970 20 10 CCCDMO OC[C@@H]1CC[N@H+](Cc2c(O)cccc2F)C[C@@H]1O ZINC001137832852 799689680 /nfs/dbraw/zinc/68/96/80/799689680.db2.gz KDYZWANGLJDTJG-ZANVPECISA-N 1 1 255.289 0.706 20 10 CCCDMO OC[C@@H]1CC[N@@H+](Cc2c(O)cccc2F)C[C@@H]1O ZINC001137832852 799689681 /nfs/dbraw/zinc/68/96/81/799689681.db2.gz KDYZWANGLJDTJG-ZANVPECISA-N 1 1 255.289 0.706 20 10 CCCDMO OC[C@H]1C[N@@H+](Cc2ccc(Cl)cc2O)C[C@@H]1O ZINC001140463122 799910209 /nfs/dbraw/zinc/91/02/09/799910209.db2.gz TXHZHQFJONJKEV-SKDRFNHKSA-N 1 1 257.717 0.831 20 10 CCCDMO Cc1ccc(O)c(C[N@H+]2CC[C@H](O)[C@H](CO)C2)c1 ZINC001140619457 799924831 /nfs/dbraw/zinc/92/48/31/799924831.db2.gz DORANPKQJIMENH-JSGCOSHPSA-N 1 1 251.326 0.876 20 10 CCCDMO Cc1c(O)ccc(C[N@H+]2CC[C@@H](C(N)=O)C2)c1O ZINC001140745256 799938653 /nfs/dbraw/zinc/93/86/53/799938653.db2.gz BTVGCEAOQRMAHK-SNVBAGLBSA-N 1 1 250.298 0.713 20 10 CCCDMO CN1C[C@@H]2C[N@@H+](Cc3cc(O)ccc3O)C[C@@H]2C1=O ZINC001141160502 799987397 /nfs/dbraw/zinc/98/73/97/799987397.db2.gz XWAIOERMGZLGCH-PWSUYJOCSA-N 1 1 262.309 0.618 20 10 CCCDMO COCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203881698 803051088 /nfs/dbraw/zinc/05/10/88/803051088.db2.gz SUCHGMROEVBGMQ-GFCCVEGCSA-N 1 1 294.351 0.825 20 10 CCCDMO COCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203881698 803051094 /nfs/dbraw/zinc/05/10/94/803051094.db2.gz SUCHGMROEVBGMQ-GFCCVEGCSA-N 1 1 294.351 0.825 20 10 CCCDMO OC[C@H]1CC[N@@H+](Cc2ccc(O)cc2O)C[C@H]1O ZINC001204275809 803075513 /nfs/dbraw/zinc/07/55/13/803075513.db2.gz BSBXNRRJFZSKHX-ZWNOBZJWSA-N 1 1 253.298 0.273 20 10 CCCDMO OC[C@@H]1CC[N@@H+](Cc2ccc(O)cc2O)C[C@@H]1O ZINC001204275806 803075545 /nfs/dbraw/zinc/07/55/45/803075545.db2.gz BSBXNRRJFZSKHX-GWCFXTLKSA-N 1 1 253.298 0.273 20 10 CCCDMO COC(=O)[C@H]1C[N@@H+](Cc2ccc(O)cc2O)CCCO1 ZINC001204277645 803076584 /nfs/dbraw/zinc/07/65/84/803076584.db2.gz HZBUUEQUFLZMEK-CYBMUJFWSA-N 1 1 281.308 0.862 20 10 CCCDMO COc1cc(C[N@H+]2C[C@@H](OC)[C@@H](OC)C2)cc(O)c1O ZINC001204341869 803080398 /nfs/dbraw/zinc/08/03/98/803080398.db2.gz HILFJWCYFJMZEO-BETUJISGSA-N 1 1 283.324 0.952 20 10 CCCDMO COc1cc(C[N@@H+]2C[C@@H](OC)[C@@H](OC)C2)cc(O)c1O ZINC001204341869 803080405 /nfs/dbraw/zinc/08/04/05/803080405.db2.gz HILFJWCYFJMZEO-BETUJISGSA-N 1 1 283.324 0.952 20 10 CCCDMO COc1cc(C[N@H+]2CC[C@@]3(CCNC3=O)C2)cc(O)c1O ZINC001204346238 803080997 /nfs/dbraw/zinc/08/09/97/803080997.db2.gz HLMLSFHBOPMRCE-HNNXBMFYSA-N 1 1 292.335 0.818 20 10 CCCDMO O=C(C[NH2+]C1CCS(=O)(=O)CC1)c1ccc(O)c(O)c1 ZINC001256378883 808517086 /nfs/dbraw/zinc/51/70/86/808517086.db2.gz HLVKRZIWAXECNV-UHFFFAOYSA-N 1 1 299.348 0.447 20 10 CCCDMO CN1CCC[N@H+](Cc2cc(O)ccc2O)CC1=O ZINC001141159137 811822768 /nfs/dbraw/zinc/82/27/68/811822768.db2.gz AFEHDYOIZYGIEA-UHFFFAOYSA-N 1 1 250.298 0.762 20 10 CCCDMO CN1CCC[N@@H+](Cc2cc(O)ccc2O)CC1=O ZINC001141159137 811822777 /nfs/dbraw/zinc/82/27/77/811822777.db2.gz AFEHDYOIZYGIEA-UHFFFAOYSA-N 1 1 250.298 0.762 20 10 CCCDMO C[N@H+]1CCC2(CN(C(=O)c3ccc(O)c(O)c3)C2)C1 ZINC001270032763 813592756 /nfs/dbraw/zinc/59/27/56/813592756.db2.gz NZALRPCNEGOZJP-UHFFFAOYSA-N 1 1 262.309 0.876 20 10 CCCDMO COC(=O)[C@H]1C[N@H+](Cc2cc(C)ccc2O)C[C@@H]1N ZINC001236352369 817282189 /nfs/dbraw/zinc/28/21/89/817282189.db2.gz VRZIYEHJIVRLTI-RYUDHWBXSA-N 1 1 264.325 0.633 20 10 CCCDMO COC(=O)[C@H]1C[N@@H+](Cc2cc(C)ccc2O)C[C@@H]1N ZINC001236352369 817282198 /nfs/dbraw/zinc/28/21/98/817282198.db2.gz VRZIYEHJIVRLTI-RYUDHWBXSA-N 1 1 264.325 0.633 20 10 CCCDMO Nc1ccc(C[N@H+]2CCC[C@H](N3CCNCC3=O)C2)cc1 ZINC001120268741 821525055 /nfs/dbraw/zinc/52/50/55/821525055.db2.gz IJONJDUSLZFNFI-HNNXBMFYSA-N 1 1 288.395 0.665 20 10 CCCDMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NCc1ccccc1O ZINC000828637472 821796622 /nfs/dbraw/zinc/79/66/22/821796622.db2.gz YODXOTQMCUTSQG-BXUZGUMPSA-N 1 1 264.325 0.464 20 10 CCCDMO [NH3+]Cc1ncc(NCC(=O)c2ccc(O)c(O)c2)cn1 ZINC001170314487 837301997 /nfs/dbraw/zinc/30/19/97/837301997.db2.gz ANGFEBNJUMHXDI-UHFFFAOYSA-N 1 1 274.280 0.641 20 10 CCCDMO CCOc1cccc(C[N@@H+]2C[C@H](CO)[C@H](O)C2)c1O ZINC001203603231 844317720 /nfs/dbraw/zinc/31/77/20/844317720.db2.gz LAGRWBZRNOKFSL-VXGBXAGGSA-N 1 1 267.325 0.576 20 10 CCCDMO COC(=O)[C@H]1C[N@H+](Cc2c(O)cc(O)cc2O)CCO1 ZINC001144500438 840067819 /nfs/dbraw/zinc/06/78/19/840067819.db2.gz UAISDAXJMAUKHJ-GFCCVEGCSA-N 1 1 283.280 0.177 20 10 CCCDMO COC(=O)[C@H]1C[N@@H+](Cc2c(O)cc(O)cc2O)CCO1 ZINC001144500438 840067827 /nfs/dbraw/zinc/06/78/27/840067827.db2.gz UAISDAXJMAUKHJ-GFCCVEGCSA-N 1 1 283.280 0.177 20 10 CCCDMO Oc1cc(O)c(C[N@H+]2C[C@@H]3COC[C@@H]3C2)c(O)c1 ZINC001144503688 840068786 /nfs/dbraw/zinc/06/87/86/840068786.db2.gz AKBJCBLWRRBCRW-DTORHVGOSA-N 1 1 251.282 0.882 20 10 CCCDMO Oc1cc(O)c(C[N@@H+]2CCc3nncn3CC2)c(O)c1 ZINC001144503702 840069188 /nfs/dbraw/zinc/06/91/88/840069188.db2.gz AQPBNFLOHWYKFU-UHFFFAOYSA-N 1 1 276.296 0.453 20 10 CCCDMO COC(=O)[C@H]1C[N@H+](C)CCN1Cc1c(O)cc(O)cc1O ZINC001144516432 840075748 /nfs/dbraw/zinc/07/57/48/840075748.db2.gz YGABXSQNERTFBF-LLVKDONJSA-N 1 1 296.323 0.092 20 10 CCCDMO COC(=O)[C@H]1C[N@@H+](C)CCN1Cc1c(O)cc(O)cc1O ZINC001144516432 840075753 /nfs/dbraw/zinc/07/57/53/840075753.db2.gz YGABXSQNERTFBF-LLVKDONJSA-N 1 1 296.323 0.092 20 10 CCCDMO C[N@H+]1CC[C@@H](C(=O)NCc2c(O)cccc2O)C1 ZINC001178912917 842938393 /nfs/dbraw/zinc/93/83/93/842938393.db2.gz ZENXWJXPYKEERV-SECBINFHSA-N 1 1 250.298 0.666 20 10 CCCDMO COC(=O)[C@@H](O)C[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC001252423003 847947180 /nfs/dbraw/zinc/94/71/80/847947180.db2.gz LMYSUUOXXIKGBM-ZDUSSCGKSA-N 1 1 266.341 0.718 20 10 CCCDMO C[NH+](C)CCN1CC2(C1)CN(Cc1cc(O)ccc1O)C2 ZINC001275418970 848716528 /nfs/dbraw/zinc/71/65/28/848716528.db2.gz NRTYTFKHIYVXLA-UHFFFAOYSA-N 1 1 291.395 0.777 20 10 CCCDMO Nc1ccc(CN2CCN([C@H]3CC[NH2+]C3)CC2)cc1 ZINC001334753920 919744560 /nfs/dbraw/zinc/74/45/60/919744560.db2.gz IPUKDHHSMYVLQY-HNNXBMFYSA-N 1 1 260.385 0.748 20 10 CCCDMO C[N@@H+](Cc1cccc(F)c1O)C[C@@H](O)CN1CCOCC1 ZINC000272339675 353054160 /nfs/dbraw/zinc/05/41/60/353054160.db2.gz YMTVUWCVMJGKRN-CYBMUJFWSA-N 1 1 298.358 0.656 20 10 CCCDMO C[N@H+](Cc1cccc(F)c1O)C[C@@H](O)CN1CCOCC1 ZINC000272339675 353054164 /nfs/dbraw/zinc/05/41/64/353054164.db2.gz YMTVUWCVMJGKRN-CYBMUJFWSA-N 1 1 298.358 0.656 20 10 CCCDMO C[N@H+](CC(=O)N1CCOCC1)Cc1cc(F)ccc1O ZINC000179886355 389664551 /nfs/dbraw/zinc/66/45/51/389664551.db2.gz IZIPUIBKHCYQKZ-UHFFFAOYSA-N 1 1 282.315 0.822 20 10 CCCDMO C[N@@H+](CC(=O)N1CCOCC1)Cc1cc(F)ccc1O ZINC000179886355 389664552 /nfs/dbraw/zinc/66/45/52/389664552.db2.gz IZIPUIBKHCYQKZ-UHFFFAOYSA-N 1 1 282.315 0.822 20 10 CCCDMO CNS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC000376162500 389730367 /nfs/dbraw/zinc/73/03/67/389730367.db2.gz MIXAEYZDCSWAIL-NSHDSACASA-N 1 1 270.354 0.516 20 10 CCCDMO CNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2O)CCO1 ZINC000529643565 390848952 /nfs/dbraw/zinc/84/89/52/390848952.db2.gz QNHNTAVWQPTWPM-GFCCVEGCSA-N 1 1 279.340 0.522 20 10 CCCDMO CNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2O)CCO1 ZINC000529643565 390848956 /nfs/dbraw/zinc/84/89/56/390848956.db2.gz QNHNTAVWQPTWPM-GFCCVEGCSA-N 1 1 279.340 0.522 20 10 CCCDMO CCN(C(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1)c1cnn(C)c1 ZINC000662830188 414823271 /nfs/dbraw/zinc/82/32/71/414823271.db2.gz APOZFRWJSBTWIW-SNVBAGLBSA-N 1 1 288.355 0.887 20 10 CCCDMO CNC(=O)N1CC[NH+](Cc2cc(OC)ccc2O)CC1 ZINC000271809848 328197618 /nfs/dbraw/zinc/19/76/18/328197618.db2.gz LXTLODZBNNCWCZ-UHFFFAOYSA-N 1 1 279.340 0.858 20 10 CCCDMO COc1ccc(CNC(=O)CN2CC[NH+](C)CC2)c(O)c1 ZINC000794387726 581366850 /nfs/dbraw/zinc/36/68/50/581366850.db2.gz KXJOLWYJMFKYHH-UHFFFAOYSA-N 1 1 293.367 0.264 20 10 CCCDMO COc1cccc(C[N@H+]2CC[C@@H](S(N)(=O)=O)C2)c1O ZINC000785984523 581425925 /nfs/dbraw/zinc/42/59/25/581425925.db2.gz IFIMFZLDWFVSPF-SNVBAGLBSA-N 1 1 286.353 0.264 20 10 CCCDMO O=C1NC(=O)N2CC[N@H+](Cc3ccccc3O)C[C@@H]12 ZINC000761215819 581897091 /nfs/dbraw/zinc/89/70/91/581897091.db2.gz JBOARNPJXPOVAX-JTQLQIEISA-N 1 1 261.281 0.128 20 10 CCCDMO COc1ccc(O)c(CNC(=O)NC[C@@H]2CC[N@H+]2C)c1 ZINC000918746353 617272771 /nfs/dbraw/zinc/27/27/71/617272771.db2.gz WOZYPDOJXIHECK-NSHDSACASA-N 1 1 279.340 0.904 20 10 CCCDMO CC[N@@H+](CC(N)=O)Cc1ccc(OC)c(OC)c1O ZINC000893965505 614958169 /nfs/dbraw/zinc/95/81/69/614958169.db2.gz QWGSOGPHBIUDRA-UHFFFAOYSA-N 1 1 268.313 0.717 20 10 CCCDMO CCOc1ccc(C[N@H+](C)CC(=O)NC)c(O)c1 ZINC000827867758 615510261 /nfs/dbraw/zinc/51/02/61/615510261.db2.gz OYEKSKLXTRGOCW-UHFFFAOYSA-N 1 1 252.314 0.969 20 10 CCCDMO CCOc1ccc(C[N@@H+](C)CC(=O)NC)c(O)c1 ZINC000827867758 615510262 /nfs/dbraw/zinc/51/02/62/615510262.db2.gz OYEKSKLXTRGOCW-UHFFFAOYSA-N 1 1 252.314 0.969 20 10 CCCDMO CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@@H]2CO)cc1 ZINC000934021145 616014899 /nfs/dbraw/zinc/01/48/99/616014899.db2.gz DGXPCMVNHGZTPV-CQSZACIVSA-N 1 1 277.368 0.435 20 10 CCCDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CC[C@@H]2CO)cc1 ZINC000934021145 616014901 /nfs/dbraw/zinc/01/49/01/616014901.db2.gz DGXPCMVNHGZTPV-CQSZACIVSA-N 1 1 277.368 0.435 20 10 CCCDMO C[N@H+]1CCC[C@@](O)(CC(=O)NCc2c(O)cccc2F)C1 ZINC000928710719 616202199 /nfs/dbraw/zinc/20/21/99/616202199.db2.gz WFEMSDZASWMWJQ-OAHLLOKOSA-N 1 1 296.342 0.994 20 10 CCCDMO COC(=O)[C@@]1(O)CC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000895708149 616561411 /nfs/dbraw/zinc/56/14/11/616561411.db2.gz PUDPFEYUZBZYQZ-CQSZACIVSA-N 1 1 295.291 0.231 20 10 CCCDMO CNC(=O)[C@H]1C[N@@H+](Cc2ccc(C)cc2O)CCO1 ZINC000877192452 616889603 /nfs/dbraw/zinc/88/96/03/616889603.db2.gz QSYDFKAZIZJSET-CYBMUJFWSA-N 1 1 264.325 0.647 20 10 CCCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CNCCO2)c1 ZINC000817981976 616917972 /nfs/dbraw/zinc/91/79/72/616917972.db2.gz AKPPKWYACMJAPP-PWSUYJOCSA-N 1 1 294.351 0.818 20 10 CCCDMO COC[C@@H](O)C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000801733092 616922899 /nfs/dbraw/zinc/92/28/99/616922899.db2.gz UAENOOCJPSWAHM-INIZCTEOSA-N 1 1 293.411 0.535 20 10 CCCDMO COc1ccc(C[N@@H+](C[C@H](O)CO)C(C)C)c(O)c1OC ZINC000894981546 631889090 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643566838 /nfs/dbraw/zinc/56/68/38/643566838.db2.gz DTSGUDBPMNWOHX-UHFFFAOYSA-N 1 1 288.307 0.783 20 10 CCCDMO C[C@@H](O)[C@H](O)C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000865738861 645408008 /nfs/dbraw/zinc/40/80/08/645408008.db2.gz KXKORXMRXPDGFT-CZUORRHYSA-N 1 1 293.411 0.270 20 10 CCCDMO Cc1cccc(O)c1C[N@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000877466108 646818797 /nfs/dbraw/zinc/81/87/97/646818797.db2.gz XSRTUMBATBHGES-JTQLQIEISA-N 1 1 270.354 0.563 20 10 CCCDMO Cc1cccc(O)c1C[N@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000877763867 646840107 /nfs/dbraw/zinc/84/01/07/646840107.db2.gz LVTPZXFJNCYFIE-TXEJJXNPSA-N 1 1 251.326 0.733 20 10 CCCDMO Oc1c(F)cc(F)cc1C[NH2+]C[C@H](O)Cn1ccnn1 ZINC000883144757 647495349 /nfs/dbraw/zinc/49/53/49/647495349.db2.gz ZPPATSLXIJPKRO-JTQLQIEISA-N 1 1 284.266 0.413 20 10 CCCDMO COc1cc(C[N@@H+]2CCC(=O)N(C)CC2)c(O)cc1O ZINC001231636651 805824310 /nfs/dbraw/zinc/82/43/10/805824310.db2.gz ZFTWPAUAHNCRPE-UHFFFAOYSA-N 1 1 280.324 0.771 20 10 CCCDMO COc1cc(C[N@H+]2CC[C@](C)(CO)[C@@H](O)C2)c(O)cc1O ZINC001231634239 805821513 /nfs/dbraw/zinc/82/15/13/805821513.db2.gz JRJWWWLLMTUJHW-LSDHHAIUSA-N 1 1 297.351 0.672 20 10 CCCDMO COc1cc(C[N@H+]2CC[C@@H](CO)[C@H](O)C2)c(O)cc1O ZINC001231634318 805822616 /nfs/dbraw/zinc/82/26/16/805822616.db2.gz LEOBKWXHOPKGEH-TVQRCGJNSA-N 1 1 283.324 0.282 20 10 CCCDMO COc1cc(C[N@H+]2CC[C@H](O)[C@@H](CO)C2)c(O)cc1O ZINC001231633888 805822829 /nfs/dbraw/zinc/82/28/29/805822829.db2.gz CEXRKGGCNRPPSB-MNOVXSKESA-N 1 1 283.324 0.282 20 10 CCCDMO COc1cc(C[N@H+]2CC[C@]3(CCNC3=O)C2)c(O)cc1O ZINC001231633321 805823102 /nfs/dbraw/zinc/82/31/02/805823102.db2.gz LWRROAJTYDQOFB-OAHLLOKOSA-N 1 1 292.335 0.818 20 10 CCCDMO NC(=O)NC1CC[NH+](Cc2cc(O)c(O)c(O)c2)CC1 ZINC001233010873 806004904 /nfs/dbraw/zinc/00/49/04/806004904.db2.gz WDOJETPESIUVPW-UHFFFAOYSA-N 1 1 281.312 0.436 20 10 CCCDMO CCN(Cc1cc(O)c(O)c(O)c1)C1C[NH+](C)C1 ZINC001233015309 806006823 /nfs/dbraw/zinc/00/68/23/806006823.db2.gz JWPWXMWVVADEDM-UHFFFAOYSA-N 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ZINC001140744318 799938325 /nfs/dbraw/zinc/93/83/25/799938325.db2.gz TYTZEYLMLXLOJJ-PWSUYJOCSA-N 1 1 253.298 0.191 20 10 CCCDMO Cc1ccc(C[NH+]2CC(N3CCN(C)C(=O)C3)C2)c(O)c1 ZINC001140950941 799964407 /nfs/dbraw/zinc/96/44/07/799964407.db2.gz QBQRFXBKACAGIW-UHFFFAOYSA-N 1 1 289.379 0.659 20 10 CCCDMO CC(=O)N[C@@H]1CC[N@@H+](Cc2cc(O)ccc2O)C1 ZINC001141161967 799986424 /nfs/dbraw/zinc/98/64/24/799986424.db2.gz IPXBCGWRXNZPSL-LLVKDONJSA-N 1 1 250.298 0.808 20 10 CCCDMO O=C1COC[C@@H]2C[N@@H+](Cc3ccccc3O)CCN12 ZINC001203558283 803034609 /nfs/dbraw/zinc/03/46/09/803034609.db2.gz BMWKRVQWFQVQMU-LBPRGKRZSA-N 1 1 262.309 0.435 20 10 CCCDMO COC(=O)[C@@]12COC[C@@H]1C[N@@H+](Cc1ccc(O)c(O)c1)C2 ZINC001203875623 803049558 /nfs/dbraw/zinc/04/95/58/803049558.db2.gz SAMPNVBPESSASP-NHYWBVRUSA-N 1 1 293.319 0.719 20 10 CCCDMO C[C@@]1(CO)C[N@@H+](Cc2ccc(O)c(O)c2)CC[C@@H]1O ZINC001203875158 803049723 /nfs/dbraw/zinc/04/97/23/803049723.db2.gz JGBRXKBNKBNRHG-KBPBESRZSA-N 1 1 267.325 0.663 20 10 CCCDMO C[C@]1(O)COCC[N@@H+](Cc2ccc(O)cc2O)C1 ZINC001204275816 803075149 /nfs/dbraw/zinc/07/51/49/803075149.db2.gz BYJCVLSTBQPLHE-CYBMUJFWSA-N 1 1 253.298 0.681 20 10 CCCDMO OC[C@H]1C[N@@H+](Cc2ccc(O)cc2O)CC[C@H]1O ZINC001204276545 803075805 /nfs/dbraw/zinc/07/58/05/803075805.db2.gz MONTUNJQUBIOSA-ZYHUDNBSSA-N 1 1 253.298 0.273 20 10 CCCDMO CC[N@@H+](CCC(N)=O)Cc1cc(O)c(O)c(OC)c1 ZINC001204341454 803079665 /nfs/dbraw/zinc/07/96/65/803079665.db2.gz CSRVUHHEPJSEJT-UHFFFAOYSA-N 1 1 268.313 0.804 20 10 CCCDMO COc1cc(C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)cc(O)c1O ZINC001204343835 803080288 /nfs/dbraw/zinc/08/02/88/803080288.db2.gz SYEXXPPQCCDADU-MNOVXSKESA-N 1 1 283.324 0.282 20 10 CCCDMO COc1cc(C[N@H+]2CC[C@H](O)[C@@H](CO)C2)cc(O)c1O ZINC001204343835 803080293 /nfs/dbraw/zinc/08/02/93/803080293.db2.gz SYEXXPPQCCDADU-MNOVXSKESA-N 1 1 283.324 0.282 20 10 CCCDMO COc1cc(C[N@H+]2CC[C@@H](C(N)=O)C2)cc(O)c1O ZINC001204345703 803080979 /nfs/dbraw/zinc/08/09/79/803080979.db2.gz VIMIYDBQGAHBJT-SECBINFHSA-N 1 1 266.297 0.414 20 10 CCCDMO O=C([O-])c1ccc(C[N@@H+]2CCC[NH2+]CC2)c(O)c1 ZINC001204674759 812349263 /nfs/dbraw/zinc/34/92/63/812349263.db2.gz CDQCBIZYBJYUPC-UHFFFAOYSA-N 1 1 250.298 0.886 20 10 CCCDMO O=C([O-])c1ccc(C[N@H+]2CCC[NH2+]CC2)c(O)c1 ZINC001204674759 812349271 /nfs/dbraw/zinc/34/92/71/812349271.db2.gz CDQCBIZYBJYUPC-UHFFFAOYSA-N 1 1 250.298 0.886 20 10 CCCDMO COC(=O)[C@@H]1C[N@H+](Cc2c(C)cccc2O)C[C@H]1N ZINC001236354710 817282112 /nfs/dbraw/zinc/28/21/12/817282112.db2.gz PKVFANQMNZWYBE-VXGBXAGGSA-N 1 1 264.325 0.633 20 10 CCCDMO COC(=O)[C@@H]1C[N@@H+](Cc2c(C)cccc2O)C[C@H]1N ZINC001236354710 817282119 /nfs/dbraw/zinc/28/21/19/817282119.db2.gz PKVFANQMNZWYBE-VXGBXAGGSA-N 1 1 264.325 0.633 20 10 CCCDMO O=C1NCC[C@@]12CCC[N@H+](Cc1c(O)cc(O)cc1O)C2 ZINC001144510011 840072358 /nfs/dbraw/zinc/07/23/58/840072358.db2.gz PPTQDOJQBFUOOW-OAHLLOKOSA-N 1 1 292.335 0.906 20 10 CCCDMO C[N@H+](C1CN(Cc2c(O)cc(O)cc2O)C1)[C@H]1CCOC1 ZINC001144514608 840074680 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COc1cc(CN2C[C@@H]3C[N@H+](C)C[C@H](C2)O3)c(O)cc1O ZINC001276090299 848921019 /nfs/dbraw/zinc/92/10/19/848921019.db2.gz ATJOFSQRQDRBNV-TXEJJXNPSA-N 1 1 294.351 0.621 20 10 CCCDMO COCC[N@H+]1CC[C@@H](NC(=O)Cc2ccc(O)c(O)c2)C1 ZINC001293588944 906494506 /nfs/dbraw/zinc/49/45/06/906494506.db2.gz BCFKZBQADZUGJN-GFCCVEGCSA-N 1 1 294.351 0.477 20 10 CCCDMO CC[C@@H]([NH3+])C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC001333259460 918756096 /nfs/dbraw/zinc/75/60/96/918756096.db2.gz VVOYVZVSZIQTHN-OAHLLOKOSA-N 1 1 290.411 0.792 20 10 CCCDMO C[C@@H]1C[N@@H+](Cc2ccc(N)cc2)C[C@H]1CS(N)(=O)=O ZINC001336285030 920702225 /nfs/dbraw/zinc/70/22/25/920702225.db2.gz GVVQIWYMFXTESP-PWSUYJOCSA-N 1 1 283.397 0.625 20 10 CCCDMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCCc1ccc(N)cc1 ZINC001341242722 922399220 /nfs/dbraw/zinc/39/92/20/922399220.db2.gz RXWQPXBBAMUUOM-DOMZBBRYSA-N 1 1 288.395 0.316 20 10 CCCDMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCc1ccc(O)cc1O ZINC001347696354 924514136 /nfs/dbraw/zinc/51/41/36/924514136.db2.gz WTZXAWGAENNIIT-ZWNOBZJWSA-N 1 1 291.351 0.102 20 10 CCCDMO C[N@@H+](CCN1C(=O)CCC1=O)Cc1ccccc1O ZINC000111235844 349767935 /nfs/dbraw/zinc/76/79/35/349767935.db2.gz TUZRPAMCDGFPPN-UHFFFAOYSA-N 1 1 262.309 0.973 20 10 CCCDMO CC(=O)c1cc(F)cc(C[N@H+](C)[C@@H]2COC[C@H]2O)c1O ZINC000286019707 353562393 /nfs/dbraw/zinc/56/23/93/353562393.db2.gz PUWZBWPOMYDSAX-CHWSQXEVSA-N 1 1 283.299 0.925 20 10 CCCDMO OC[C@@H]1C[C@@H](O)C[N@H+]1Cc1cc(Cl)ccc1O ZINC000364325956 357108459 /nfs/dbraw/zinc/10/84/59/357108459.db2.gz SMYUTTJSLGBGPX-WDEREUQCSA-N 1 1 257.717 0.973 20 10 CCCDMO Cc1cc(C[N@H+]2CC[C@](O)(C(N)=O)C2)ccc1N(C)C ZINC000294768297 199174753 /nfs/dbraw/zinc/17/47/53/199174753.db2.gz YXWARIPDLYNCDE-OAHLLOKOSA-N 1 1 277.368 0.483 20 10 CCCDMO COCC[N@H+](Cc1cc2c(cc1O)OCO2)[C@H](C)C(N)=O ZINC000271147512 389438743 /nfs/dbraw/zinc/43/87/43/389438743.db2.gz BKLGHGMWVYRTGA-SECBINFHSA-N 1 1 296.323 0.443 20 10 CCCDMO COCC[N@@H+](Cc1cc2c(cc1O)OCO2)[C@H](C)C(N)=O ZINC000271147512 389438747 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CNC(=O)[C@H]1C[N@@H+](Cc2cc(C)c(C)cc2O)CCO1 ZINC000180587740 389672962 /nfs/dbraw/zinc/67/29/62/389672962.db2.gz DLECMIIMAMYIIW-CQSZACIVSA-N 1 1 278.352 0.956 20 10 CCCDMO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000274229285 328209940 /nfs/dbraw/zinc/20/99/40/328209940.db2.gz RRFRERWFEKLSFY-YGRLFVJLSA-N 1 1 294.351 0.476 20 10 CCCDMO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000274229285 328209942 /nfs/dbraw/zinc/20/99/42/328209942.db2.gz RRFRERWFEKLSFY-YGRLFVJLSA-N 1 1 294.351 0.476 20 10 CCCDMO Nc1ccc(CC(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000252548449 334382364 /nfs/dbraw/zinc/38/23/64/334382364.db2.gz MOZQGUKSLOTBGT-GJZGRUSLSA-N 1 1 289.379 0.791 20 10 CCCDMO CN(C)CC[N@@H+](C)CCCNC(=O)c1cccc(O)c1O ZINC000290376672 524060741 /nfs/dbraw/zinc/06/07/41/524060741.db2.gz BPVLOMKOKHHVHK-UHFFFAOYSA-N 1 1 295.383 0.711 20 10 CCCDMO CN(CCCNC(=O)c1cccc(O)c1O)CC[NH+](C)C ZINC000290376672 524060743 /nfs/dbraw/zinc/06/07/43/524060743.db2.gz BPVLOMKOKHHVHK-UHFFFAOYSA-N 1 1 295.383 0.711 20 10 CCCDMO C[C@]1(C(N)=O)CC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000235716803 525236467 /nfs/dbraw/zinc/23/64/67/525236467.db2.gz GRPWRFQLHJWXIC-AWEZNQCLSA-N 1 1 278.308 0.818 20 10 CCCDMO COc1cccc(O)c1C[N@@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000787417520 581470010 /nfs/dbraw/zinc/47/00/10/581470010.db2.gz OIBNXNQRTVXMRH-GHMZBOCLSA-N 1 1 267.325 0.982 20 10 CCCDMO COc1cccc(O)c1C[N@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000787417520 581470011 /nfs/dbraw/zinc/47/00/11/581470011.db2.gz OIBNXNQRTVXMRH-GHMZBOCLSA-N 1 1 267.325 0.982 20 10 CCCDMO Cc1ccc(O)c(C[N@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)c1 ZINC000761216036 581897165 /nfs/dbraw/zinc/89/71/65/581897165.db2.gz KTHRGQHHYAVOCA-NSHDSACASA-N 1 1 275.308 0.437 20 10 CCCDMO O=C(NCc1ccccc1O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000764072416 582030308 /nfs/dbraw/zinc/03/03/08/582030308.db2.gz WQINNVSHUPTVRY-ZDUSSCGKSA-N 1 1 275.352 0.398 20 10 CCCDMO C[N@H+](CC(N)=O)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000768244512 582105161 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CC[N@@H+]1CCO[C@@H](C(=O)N2Cc3cccc(O)c3C2)C1 ZINC000871202346 615169932 /nfs/dbraw/zinc/16/99/32/615169932.db2.gz FCKQZGWKVQZTGP-CQSZACIVSA-N 1 1 276.336 0.955 20 10 CCCDMO CC[N@H+]1CCO[C@@H](C(=O)N2Cc3cccc(O)c3C2)C1 ZINC000871202346 615169934 /nfs/dbraw/zinc/16/99/34/615169934.db2.gz FCKQZGWKVQZTGP-CQSZACIVSA-N 1 1 276.336 0.955 20 10 CCCDMO CCc1cccc(C[N@H+]2CC[C@H](S(N)(=O)=O)C2)c1O ZINC000848904964 615682947 /nfs/dbraw/zinc/68/29/47/615682947.db2.gz FGFFLQSEIGECDG-LBPRGKRZSA-N 1 1 284.381 0.817 20 10 CCCDMO CCc1cccc(C[N@H+]2CCO[C@H](C(=O)NC)C2)c1O ZINC000848902570 615683126 /nfs/dbraw/zinc/68/31/26/615683126.db2.gz PSFJUMVKNJZYTG-ZDUSSCGKSA-N 1 1 278.352 0.901 20 10 CCCDMO CN(C)CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881852054 615865728 /nfs/dbraw/zinc/86/57/28/615865728.db2.gz VWMPVKKQZSZOSQ-UHFFFAOYSA-N 1 1 290.411 0.616 20 10 CCCDMO CN(C)c1ccc(C[N@@H+]2C[C@H](CO)[C@H](O)C2)cc1 ZINC000839166094 616014323 /nfs/dbraw/zinc/01/43/23/616014323.db2.gz PJJQBOWQGVGKAB-TZMCWYRMSA-N 1 1 250.342 0.538 20 10 CCCDMO CN(CC[N@@H+](C)CCO)C(=O)C1=CC(=O)CS1 ZINC000912603824 616101054 /nfs/dbraw/zinc/10/10/54/616101054.db2.gz MVQMPULWMTUROT-UHFFFAOYSA-N 1 1 258.343 0.450 20 10 CCCDMO CN1CCN(c2ccc(C[N@H+](C)CCC(N)=O)cc2)CC1 ZINC000809713214 616247239 /nfs/dbraw/zinc/24/72/39/616247239.db2.gz DGTQLYFKZJPVJZ-UHFFFAOYSA-N 1 1 290.411 0.746 20 10 CCCDMO CN1CCN(c2ccc(C[N@@H+](C)CCC(N)=O)cc2)CC1 ZINC000809713214 616247240 /nfs/dbraw/zinc/24/72/40/616247240.db2.gz DGTQLYFKZJPVJZ-UHFFFAOYSA-N 1 1 290.411 0.746 20 10 CCCDMO C[N@@H+]1CCO[C@@H](C(=O)N2Cc3cccc(O)c3C2)C1 ZINC000871202830 616251799 /nfs/dbraw/zinc/25/17/99/616251799.db2.gz NISWTPQCRXOASZ-CYBMUJFWSA-N 1 1 262.309 0.565 20 10 CCCDMO C[N@H+]1CCO[C@@H](C(=O)N2Cc3cccc(O)c3C2)C1 ZINC000871202830 616251800 /nfs/dbraw/zinc/25/18/00/616251800.db2.gz NISWTPQCRXOASZ-CYBMUJFWSA-N 1 1 262.309 0.565 20 10 CCCDMO COC(=O)[C@@]1(O)CC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000880566176 616560683 /nfs/dbraw/zinc/56/06/83/616560683.db2.gz 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ZINC000877506371 646820356 /nfs/dbraw/zinc/82/03/56/646820356.db2.gz VSSGNMAVRGPSOX-UHFFFAOYSA-N 1 1 264.325 0.337 20 10 CCCDMO Cc1cc(C[N@H+]2CC[C@@H](O)[C@@H](O)C2)ccc1N(C)C ZINC000879609294 647080937 /nfs/dbraw/zinc/08/09/37/647080937.db2.gz PZWPBOPCGDNHPT-CABCVRRESA-N 1 1 264.369 0.989 20 10 CCCDMO CN(c1c[nH+]cn1C)S(=O)(=O)Cc1ccc(N)cc1 ZINC001211248588 791062410 /nfs/dbraw/zinc/06/24/10/791062410.db2.gz PBJVFIFWTGEXOZ-UHFFFAOYSA-N 1 1 280.353 0.969 20 10 CCCDMO Cc1cccc(C[N@H+]2CC[C@H](CO)[C@H](O)C2)c1O ZINC001231590685 805820212 /nfs/dbraw/zinc/82/02/12/805820212.db2.gz DTMXFARJWNKKHI-CHWSQXEVSA-N 1 1 251.326 0.876 20 10 CCCDMO OC[C@H]1CC[N@@H+](Cc2cc(Cl)c(O)cc2O)C[C@H]1O ZINC001232259988 805915184 /nfs/dbraw/zinc/91/51/84/805915184.db2.gz OFYQVGUUIMIBIV-AMIZOPFISA-N 1 1 287.743 0.926 20 10 CCCDMO NC(=O)C[C@H]1C[C@@H]2C[N@@H+](Cc3cc(O)ccc3O)C[C@@H]2O1 ZINC001277657985 805933133 /nfs/dbraw/zinc/93/31/33/805933133.db2.gz VNZQXEWHYKNHNA-QKCSRTOESA-N 1 1 292.335 0.563 20 10 CCCDMO CN(Cc1cc(O)c(O)cc1O)[C@H]1CC[N@@H+](C)C1 ZINC001233485854 806060830 /nfs/dbraw/zinc/06/08/30/806060830.db2.gz NJYBPMBHFZNVJM-JTQLQIEISA-N 1 1 252.314 0.939 20 10 CCCDMO CN1CC[C@H]([N@H+](C)Cc2cc(O)c(O)cc2O)C1 ZINC001233485854 806060842 /nfs/dbraw/zinc/06/08/42/806060842.db2.gz NJYBPMBHFZNVJM-JTQLQIEISA-N 1 1 252.314 0.939 20 10 CCCDMO CN1CC[C@H]([N@@H+](C)Cc2cc(O)c(O)cc2O)C1 ZINC001233485854 806060852 /nfs/dbraw/zinc/06/08/52/806060852.db2.gz NJYBPMBHFZNVJM-JTQLQIEISA-N 1 1 252.314 0.939 20 10 CCCDMO CN1CCOc2cc(C[N@@H+](C)C[C@@H](O)CO)ccc21 ZINC001141141980 799984868 /nfs/dbraw/zinc/98/48/68/799984868.db2.gz BXFHQNBYHAYUOD-GFCCVEGCSA-N 1 1 266.341 0.300 20 10 CCCDMO COc1cccc(C[N@@H+]2C[C@H](CO)[C@H](O)C2)c1O ZINC001203590496 803036230 /nfs/dbraw/zinc/03/62/30/803036230.db2.gz ZVMXNCXETXZQKO-GHMZBOCLSA-N 1 1 253.298 0.186 20 10 CCCDMO COc1ccc(O)c(C[N@H+]2CC[C@H](O)[C@](C)(CO)C2)c1 ZINC001203669482 803042158 /nfs/dbraw/zinc/04/21/58/803042158.db2.gz DKYXACLMYQAIAQ-GJZGRUSLSA-N 1 1 281.352 0.966 20 10 CCCDMO COC(=O)[C@@H]([NH3+])CCC(=O)NCc1ccccc1O ZINC001219923326 804448224 /nfs/dbraw/zinc/44/82/24/804448224.db2.gz IHKWLMJYZGYZBZ-JTQLQIEISA-N 1 1 266.297 0.289 20 10 CCCDMO NC(=O)[C@@H]1CCSC12C[NH+](Cc1ccc(O)c(O)c1)C2 ZINC001276914665 804987115 /nfs/dbraw/zinc/98/71/15/804987115.db2.gz SNTYFIISTWDFEJ-JTQLQIEISA-N 1 1 294.376 0.891 20 10 CCCDMO COC(=O)[C@@H]1C[C@H]([N@@H+](C)Cc2ccccc2O)CN1 ZINC001246865848 807413627 /nfs/dbraw/zinc/41/36/27/807413627.db2.gz SXLRVZJAOLWPET-RYUDHWBXSA-N 1 1 264.325 0.728 20 10 CCCDMO CN1CCN(c2ccc(CNC(=O)CCC[NH3+])cc2)CC1 ZINC001262044385 809170760 /nfs/dbraw/zinc/17/07/60/809170760.db2.gz FVGXMKGYFIGVHQ-UHFFFAOYSA-N 1 1 290.411 0.794 20 10 CCCDMO COC(=O)[C@@H]1C[N@H+](Cc2cc(O)ccc2O)CCN1C ZINC001141161543 811823437 /nfs/dbraw/zinc/82/34/37/811823437.db2.gz USBLUOHIJGBUPL-LBPRGKRZSA-N 1 1 280.324 0.387 20 10 CCCDMO COC(=O)[C@@H]1C[N@@H+](Cc2cc(O)ccc2O)CCN1C ZINC001141161543 811823446 /nfs/dbraw/zinc/82/34/46/811823446.db2.gz USBLUOHIJGBUPL-LBPRGKRZSA-N 1 1 280.324 0.387 20 10 CCCDMO OC[C@@H]1C[C@H]2OCC[N@@H+](Cc3c(O)cc(O)cc3O)[C@@H]2C1 ZINC001144504319 840068705 /nfs/dbraw/zinc/06/87/05/840068705.db2.gz PHGFENOYPWEBFV-TURKWSHLSA-N 1 1 295.335 0.775 20 10 CCCDMO COc1cc(C[N@@H+]2CC[C@@](C)(CO)[C@@H](O)C2)cc(O)c1O ZINC001204342287 843830850 /nfs/dbraw/zinc/83/08/50/843830850.db2.gz KBDFILFNWHRINN-ZFWWWQNUSA-N 1 1 297.351 0.672 20 10 CCCDMO COc1cc(C[N@H+]2CC[C@@](C)(CO)[C@@H](O)C2)cc(O)c1O ZINC001204342287 843830861 /nfs/dbraw/zinc/83/08/61/843830861.db2.gz KBDFILFNWHRINN-ZFWWWQNUSA-N 1 1 297.351 0.672 20 10 CCCDMO COc1ccc(C[N@H+]2C[C@@H]3COC[C@H](C2)N3C)c(O)c1 ZINC001275275391 848682641 /nfs/dbraw/zinc/68/26/41/848682641.db2.gz JAUIEPPHUOPQHA-BETUJISGSA-N 1 1 278.352 0.916 20 10 CCCDMO C[N@H+]1C[C@H]2CN(Cc3ccc(O)c(O)c3)C[C@@H](C1)O2 ZINC001275821674 848835861 /nfs/dbraw/zinc/83/58/61/848835861.db2.gz XJUIVBTURQKDBQ-TXEJJXNPSA-N 1 1 264.325 0.613 20 10 CCCDMO C[N@@H+]1C[C@H]2CN(Cc3ccc(O)c(O)c3)C[C@@H](C1)O2 ZINC001275821674 848835866 /nfs/dbraw/zinc/83/58/66/848835866.db2.gz XJUIVBTURQKDBQ-TXEJJXNPSA-N 1 1 264.325 0.613 20 10 CCCDMO Cn1ncc(C[NH2+]Cc2cc3c(cc2O)OCO3)n1 ZINC000389811591 854009595 /nfs/dbraw/zinc/00/95/95/854009595.db2.gz HNFFUQSNDSELSB-UHFFFAOYSA-N 1 1 262.269 0.539 20 10 CCCDMO CN(C)c1ccc([C@@H](O)C(=O)N2[C@@H]3C[C@H]2C[N@@H+](C)C3)cc1 ZINC001272782146 897665997 /nfs/dbraw/zinc/66/59/97/897665997.db2.gz KHHIGWUDIANKHI-QLFBSQMISA-N 1 1 289.379 0.701 20 10 CCCDMO CN(C)c1ccc([C@@H](O)C(=O)N2[C@@H]3C[C@H]2C[N@H+](C)C3)cc1 ZINC001272782146 897666009 /nfs/dbraw/zinc/66/60/09/897666009.db2.gz KHHIGWUDIANKHI-QLFBSQMISA-N 1 1 289.379 0.701 20 10 CCCDMO CC[N@@H+]1CCO[C@@H](C(=O)NCc2c(O)cccc2O)C1 ZINC001304053996 908137407 /nfs/dbraw/zinc/13/74/07/908137407.db2.gz ZMSBMQILBBERMU-CYBMUJFWSA-N 1 1 280.324 0.435 20 10 CCCDMO CC[N@H+]1CCO[C@@H](C(=O)NCc2c(O)cccc2O)C1 ZINC001304053996 908137420 /nfs/dbraw/zinc/13/74/20/908137420.db2.gz ZMSBMQILBBERMU-CYBMUJFWSA-N 1 1 280.324 0.435 20 10 CCCDMO C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCc1c(O)cccc1F ZINC001349385462 924946270 /nfs/dbraw/zinc/94/62/70/924946270.db2.gz ZRCHDHWOSIFTHX-GWCFXTLKSA-N 1 1 293.342 0.536 20 10 CCCDMO C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1cc(C(=O)[O-])ccc1O ZINC001593250571 994485136 /nfs/dbraw/zinc/48/51/36/994485136.db2.gz ULMPWLHNWYDQBR-MEBBXXQBSA-N 1 1 294.351 0.808 20 10 CCCDMO C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1cc(C(=O)[O-])ccc1O ZINC001593250571 994485140 /nfs/dbraw/zinc/48/51/40/994485140.db2.gz ULMPWLHNWYDQBR-MEBBXXQBSA-N 1 1 294.351 0.808 20 10 CCCDMO CCOc1ccc(O)c(C[N@H+]2CCOC[C@H](O)C2)c1 ZINC000294699012 199140325 /nfs/dbraw/zinc/14/03/25/199140325.db2.gz CWSBDOUNYFDYIB-GFCCVEGCSA-N 1 1 267.325 0.984 20 10 CCCDMO CN(C)S(=O)(=O)NCC[NH2+]Cc1cccc(F)c1O ZINC000298130694 200340521 /nfs/dbraw/zinc/34/05/21/200340521.db2.gz PZUZQSNFMKZIKW-UHFFFAOYSA-N 1 1 291.348 0.017 20 10 CCCDMO CCOc1cccc(C[N@@H+]2CCO[C@@H](C(N)=O)C2)c1O ZINC000092735198 389030232 /nfs/dbraw/zinc/03/02/32/389030232.db2.gz GRGNBRDCBVQTOZ-GFCCVEGCSA-N 1 1 280.324 0.477 20 10 CCCDMO CCOc1cccc(C[N@H+]2CCO[C@@H](C(N)=O)C2)c1O ZINC000092735198 389030235 /nfs/dbraw/zinc/03/02/35/389030235.db2.gz GRGNBRDCBVQTOZ-GFCCVEGCSA-N 1 1 280.324 0.477 20 10 CCCDMO CCOc1ccc(O)c(C[N@@H+]2CCO[C@@H](C(N)=O)C2)c1 ZINC000092735702 389032353 /nfs/dbraw/zinc/03/23/53/389032353.db2.gz VPUJLBBNYBDZTO-CYBMUJFWSA-N 1 1 280.324 0.477 20 10 CCCDMO CCOc1ccc(O)c(C[N@H+]2CCO[C@@H](C(N)=O)C2)c1 ZINC000092735702 389032355 /nfs/dbraw/zinc/03/23/55/389032355.db2.gz VPUJLBBNYBDZTO-CYBMUJFWSA-N 1 1 280.324 0.477 20 10 CCCDMO COc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C(N)=O)C2)c1O ZINC000092007520 389027125 /nfs/dbraw/zinc/02/71/25/389027125.db2.gz XWMIFHZWAWXRAY-BXKDBHETSA-N 1 1 280.324 0.475 20 10 CCCDMO COc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C(N)=O)C2)c1O ZINC000092007520 389027130 /nfs/dbraw/zinc/02/71/30/389027130.db2.gz XWMIFHZWAWXRAY-BXKDBHETSA-N 1 1 280.324 0.475 20 10 CCCDMO COc1cccc(C[N@H+](C)CC(=O)N(C)C)c1O ZINC000132126468 389221048 /nfs/dbraw/zinc/22/10/48/389221048.db2.gz DGMHIWNAFPKDHW-UHFFFAOYSA-N 1 1 252.314 0.921 20 10 CCCDMO COc1cccc(C[N@@H+](C)CC(=O)N(C)C)c1O ZINC000132126468 389221051 /nfs/dbraw/zinc/22/10/51/389221051.db2.gz DGMHIWNAFPKDHW-UHFFFAOYSA-N 1 1 252.314 0.921 20 10 CCCDMO COc1cccc(C[N@H+]2CC[C@@H](C(N)=O)C2)c1O ZINC000157172499 389329698 /nfs/dbraw/zinc/32/96/98/389329698.db2.gz CTRPEGFNLQCSSS-SNVBAGLBSA-N 1 1 250.298 0.708 20 10 CCCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@@H](S(N)(=O)=O)C2)c1 ZINC000372747359 389456103 /nfs/dbraw/zinc/45/61/03/389456103.db2.gz XZQMRCFWTVCFGN-GFCCVEGCSA-N 1 1 284.381 0.954 20 10 CCCDMO NS(=O)(=O)[C@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000372734394 389456387 /nfs/dbraw/zinc/45/63/87/389456387.db2.gz BXIVSQXTCQZAFO-NSHDSACASA-N 1 1 288.344 0.784 20 10 CCCDMO NS(=O)(=O)[C@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000372734394 389456393 /nfs/dbraw/zinc/45/63/93/389456393.db2.gz BXIVSQXTCQZAFO-NSHDSACASA-N 1 1 288.344 0.784 20 10 CCCDMO O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1COCC[NH2+]1 ZINC000178710176 389616779 /nfs/dbraw/zinc/61/67/79/389616779.db2.gz LCLVJVYISSNSIG-OAHLLOKOSA-N 1 1 289.379 0.891 20 10 CCCDMO COc1cc(O)c(C[N@H+](C)CC(=O)N(C)C)cc1OC ZINC000179589215 389660690 /nfs/dbraw/zinc/66/06/90/389660690.db2.gz SJXFKVJGHLNYMQ-UHFFFAOYSA-N 1 1 282.340 0.929 20 10 CCCDMO COc1cc(O)c(C[N@@H+](C)CC(=O)N(C)C)cc1OC ZINC000179589215 389660693 /nfs/dbraw/zinc/66/06/93/389660693.db2.gz SJXFKVJGHLNYMQ-UHFFFAOYSA-N 1 1 282.340 0.929 20 10 CCCDMO CNS(=O)(=O)[C@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000376168098 389730894 /nfs/dbraw/zinc/73/08/94/389730894.db2.gz VBVFVWNMHQXCPZ-NSHDSACASA-N 1 1 288.344 0.655 20 10 CCCDMO COc1c(O)c(C[NH2+]CCC(=O)N(C)C)ccc1[N+](=O)[O-] ZINC000278849491 521876709 /nfs/dbraw/zinc/87/67/09/521876709.db2.gz KVSRTLAQOOXJOI-UHFFFAOYSA-N 1 1 297.311 0.877 20 10 CCCDMO COc1c(O)c(C[NH2+][C@@H](C)CO)ccc1[N+](=O)[O-] ZINC000278487507 521878204 /nfs/dbraw/zinc/87/82/04/521878204.db2.gz KVLHLBKLUYJLGX-ZETCQYMHSA-N 1 1 256.258 0.779 20 10 CCCDMO COc1ccc(O)c(C[N@@H+](C)[C@@H]2COC[C@H]2O)c1 ZINC000289578013 524734209 /nfs/dbraw/zinc/73/42/09/524734209.db2.gz JVULNGVPTSYCQQ-DGCLKSJQSA-N 1 1 253.298 0.592 20 10 CCCDMO COc1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)c(O)c1 ZINC000794383444 581366532 /nfs/dbraw/zinc/36/65/32/581366532.db2.gz NZFHVXXVAGTMTP-LLVKDONJSA-N 1 1 264.325 0.969 20 10 CCCDMO COc1cccc(O)c1C[N@H+]1CC[C@H](C(N)=O)C1 ZINC000768137661 581645856 /nfs/dbraw/zinc/64/58/56/581645856.db2.gz LNQCUNXRZDTVNX-VIFPVBQESA-N 1 1 250.298 0.708 20 10 CCCDMO C[N@H+]1CC[C@@](O)(CNC(=O)C2=CC(=O)CS2)C1 ZINC000762819230 581964318 /nfs/dbraw/zinc/96/43/18/581964318.db2.gz YZXGREWANHVBPB-LLVKDONJSA-N 1 1 256.327 0.250 20 10 CCCDMO COCCCNC(=O)C[N@@H+](C)Cc1ccccc1O ZINC000749299118 582002457 /nfs/dbraw/zinc/00/24/57/582002457.db2.gz SQPUXVVKNDUCIM-UHFFFAOYSA-N 1 1 266.341 0.977 20 10 CCCDMO COc1ccc(O)c(C[N@@H+]2CCCNC(=O)C2)c1 ZINC000775662159 582033199 /nfs/dbraw/zinc/03/31/99/582033199.db2.gz AYMMVJATTDJKCC-UHFFFAOYSA-N 1 1 250.298 0.723 20 10 CCCDMO COc1ccc(O)c(C[N@H+]2CCCNC(=O)C2)c1 ZINC000775662159 582033201 /nfs/dbraw/zinc/03/32/01/582033201.db2.gz AYMMVJATTDJKCC-UHFFFAOYSA-N 1 1 250.298 0.723 20 10 CCCDMO COCC[N@@H+](C)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768439348 582106578 /nfs/dbraw/zinc/10/65/78/582106578.db2.gz FYVRVTRCAJAVGP-LBPRGKRZSA-N 1 1 253.298 0.896 20 10 CCCDMO COc1ccc(N(C)CCN(C)[C@H]2C[C@H]([NH3+])C[C@@H]2O)cc1 ZINC000923388662 617267134 /nfs/dbraw/zinc/26/71/34/617267134.db2.gz SXPSVSMOHKWBBF-RCBQFDQVSA-N 1 1 293.411 0.914 20 10 CCCDMO CC(=O)NCC[N@H+](C)Cc1cc2c(cc1O)OC[C@H]2O ZINC000842635746 613735824 /nfs/dbraw/zinc/73/58/24/613735824.db2.gz QQOXIMKEIZEWGK-CYBMUJFWSA-N 1 1 280.324 0.386 20 10 CCCDMO CCNC(=O)C[N@H+](C)Cc1cccc(OC)c1O ZINC000133183746 615466695 /nfs/dbraw/zinc/46/66/95/615466695.db2.gz ZOMYBJYWFQAKPI-UHFFFAOYSA-N 1 1 252.314 0.969 20 10 CCCDMO CCNC(=O)C[N@@H+](C)Cc1cccc(OC)c1O ZINC000133183746 615466697 /nfs/dbraw/zinc/46/66/97/615466697.db2.gz ZOMYBJYWFQAKPI-UHFFFAOYSA-N 1 1 252.314 0.969 20 10 CCCDMO CCOc1ccc(O)c(C[N@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)c1 ZINC000824893528 615512233 /nfs/dbraw/zinc/51/22/33/615512233.db2.gz USEAZASZWPJNIX-TXEJJXNPSA-N 1 1 290.319 0.495 20 10 CCCDMO CN(C)c1ccc(C[N@H+]2CCN(C)[C@@H](CO)C2)cc1 ZINC000931400671 616013731 /nfs/dbraw/zinc/01/37/31/616013731.db2.gz AWQNONXORNGBSH-OAHLLOKOSA-N 1 1 263.385 0.861 20 10 CCCDMO CN(C)c1ccc(CN2CC[N@H+](C)[C@@H](CO)C2)cc1 ZINC000931400671 616013733 /nfs/dbraw/zinc/01/37/33/616013733.db2.gz AWQNONXORNGBSH-OAHLLOKOSA-N 1 1 263.385 0.861 20 10 CCCDMO CN(C)c1ccc(CN2CC[N@@H+](C)[C@@H](CO)C2)cc1 ZINC000931400671 616013734 /nfs/dbraw/zinc/01/37/34/616013734.db2.gz AWQNONXORNGBSH-OAHLLOKOSA-N 1 1 263.385 0.861 20 10 CCCDMO CN(CC[N@@H+](C)CCO)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000912607098 616099553 /nfs/dbraw/zinc/09/95/53/616099553.db2.gz BHBSZQSCZJPENO-XQRVVYSFSA-N 1 1 294.351 0.494 20 10 CCCDMO CN1C(=O)[C@H]2C[N@@H+](Cc3ccccc3O)C[C@H]2C1=O ZINC000877720037 616158808 /nfs/dbraw/zinc/15/88/08/616158808.db2.gz IWAWYCVXMWZVDP-PHIMTYICSA-N 1 1 260.293 0.439 20 10 CCCDMO CO[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2[O-])C[C@H]1O ZINC000877570366 616775809 /nfs/dbraw/zinc/77/58/09/616775809.db2.gz LYJRKLBEGFZTJE-NXEZZACHSA-N 1 1 259.252 0.862 20 10 CCCDMO CO[C@@H]1CN(Cc2ccc(F)c(F)c2[O-])C[C@H]1O ZINC000877570366 616775814 /nfs/dbraw/zinc/77/58/14/616775814.db2.gz LYJRKLBEGFZTJE-NXEZZACHSA-N 1 1 259.252 0.862 20 10 CCCDMO CNC(=O)[C@H]1C[N@@H+](Cc2c(C)cccc2O)CCO1 ZINC000877192664 616888727 /nfs/dbraw/zinc/88/87/27/616888727.db2.gz QZDZHQTXJLEVCV-CYBMUJFWSA-N 1 1 264.325 0.647 20 10 CCCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2COCC[C@H]2O)c1 ZINC000866497892 616918591 /nfs/dbraw/zinc/91/85/91/616918591.db2.gz NNLQYQGJYJXRER-MRCXROJRSA-N 1 1 295.335 0.979 20 10 CCCDMO CNS(=O)(=O)[C@H]1CC[N@@H+](Cc2c(C)cccc2O)C1 ZINC000876813284 617035080 /nfs/dbraw/zinc/03/50/80/617035080.db2.gz AZHOJSNDKOPBJW-NSHDSACASA-N 1 1 284.381 0.824 20 10 CCCDMO NS(=O)(=O)C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000897063384 632387455 /nfs/dbraw/zinc/38/74/55/632387455.db2.gz USPBBFMDVFBFRP-SECBINFHSA-N 1 1 288.344 0.642 20 10 CCCDMO Cc1cccc(O)c1C[N@H+]1CCN2[C@H](CNS2(=O)=O)C1 ZINC000897277071 632454811 /nfs/dbraw/zinc/45/48/11/632454811.db2.gz DKJMGUBRRIYSJR-LLVKDONJSA-N 1 1 297.380 0.035 20 10 CCCDMO Cc1ccc(O)c(C[N@H+]2CCN3[C@H](CNS3(=O)=O)C2)c1 ZINC000897285411 632462559 /nfs/dbraw/zinc/46/25/59/632462559.db2.gz XIGZBLUDAJUPRC-GFCCVEGCSA-N 1 1 297.380 0.035 20 10 CCCDMO C[C@@H](O)[C@@H](O)C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000929184143 633455628 /nfs/dbraw/zinc/45/56/28/633455628.db2.gz CFLBCJYQDBAVJN-CJNGLKHVSA-N 1 1 294.395 0.697 20 10 CCCDMO OC[C@@H]1C[N@@H+](Cc2c(O)cccc2Cl)C[C@@H]1O ZINC000839165392 640303297 /nfs/dbraw/zinc/30/32/97/640303297.db2.gz IXGNKQIQSKVQMS-UFBFGSQYSA-N 1 1 257.717 0.831 20 10 CCCDMO C[C@H](CNC(=O)Cc1ccc(N)cc1)[NH+]1CCN(C)CC1 ZINC000829918184 642210731 /nfs/dbraw/zinc/21/07/31/642210731.db2.gz KOHBZOUAIQZSLQ-CYBMUJFWSA-N 1 1 290.411 0.563 20 10 CCCDMO Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000840918569 642797089 /nfs/dbraw/zinc/79/70/89/642797089.db2.gz WDUUGMJJXCBSEM-OKILXGFUSA-N 1 1 250.342 0.598 20 10 CCCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000840938018 642799295 /nfs/dbraw/zinc/79/92/95/642799295.db2.gz CCLIPRYGVYQKRN-AWEZNQCLSA-N 1 1 297.424 0.924 20 10 CCCDMO C[C@H](C(=O)N(C)c1ccc(N)cc1)N1CC[NH+](C)CC1 ZINC000877076032 646726390 /nfs/dbraw/zinc/72/63/90/646726390.db2.gz LEZMXJKLKMZFAH-GFCCVEGCSA-N 1 1 276.384 0.868 20 10 CCCDMO C[C@H]1CN(C(=O)c2cccc(O)c2O)CC[N@@H+]1C ZINC000126413021 646759449 /nfs/dbraw/zinc/75/94/49/646759449.db2.gz MQJRTRQFBPHPQG-VIFPVBQESA-N 1 1 250.298 0.874 20 10 CCCDMO C[C@H]1CN(C(=O)c2cccc(O)c2O)CC[N@H+]1C ZINC000126413021 646759450 /nfs/dbraw/zinc/75/94/50/646759450.db2.gz MQJRTRQFBPHPQG-VIFPVBQESA-N 1 1 250.298 0.874 20 10 CCCDMO Cc1ccc(C[N@H+]2CC[C@@H](O)[C@H](CO)C2)c(O)c1 ZINC000877592044 646826492 /nfs/dbraw/zinc/82/64/92/646826492.db2.gz KOYGEBORSJQYDO-QWHCGFSZSA-N 1 1 251.326 0.876 20 10 CCCDMO O=C1CC[C@H]2C[N@H+](Cc3cc4c(cc3O)OCO4)CCN12 ZINC000211268262 647271094 /nfs/dbraw/zinc/27/10/94/647271094.db2.gz XSUKZTQIDGNTFG-NSHDSACASA-N 1 1 290.319 0.928 20 10 CCCDMO O=C1CC[C@H]2C[N@@H+](Cc3cc4c(cc3O)OCO4)CCN12 ZINC000211268262 647271097 /nfs/dbraw/zinc/27/10/97/647271097.db2.gz XSUKZTQIDGNTFG-NSHDSACASA-N 1 1 290.319 0.928 20 10 CCCDMO COc1cc(C[N@H+]2CC[C@@](C)(CO)[C@H](O)C2)c(O)cc1O ZINC001231634234 805823247 /nfs/dbraw/zinc/82/32/47/805823247.db2.gz JRJWWWLLMTUJHW-CABCVRRESA-N 1 1 297.351 0.672 20 10 CCCDMO COc1cc(N(C)C)ccc1C[N@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC001231848143 805862174 /nfs/dbraw/zinc/86/21/74/805862174.db2.gz GXCMQWAHLHZSDN-DZGCQCFKSA-N 1 1 294.395 0.936 20 10 CCCDMO COc1cc(O)c(C[NH+]2CC(C(N)=O)C2)cc1Cl ZINC001232269901 805916968 /nfs/dbraw/zinc/91/69/68/805916968.db2.gz MRFOWBANMZSRNG-UHFFFAOYSA-N 1 1 270.716 0.971 20 10 CCCDMO CN1CCOc2cc(C[N@@H+]3CC[C@@H]4C[C@@]43C(N)=O)ccc21 ZINC001277654018 805927714 /nfs/dbraw/zinc/92/77/14/805927714.db2.gz WSSQIKLMYBTAPK-WBMJQRKESA-N 1 1 287.363 0.965 20 10 CCCDMO CN1CCOc2cc(C[N@H+]3CC[C@@H]4C[C@@]43C(N)=O)ccc21 ZINC001277654018 805927721 /nfs/dbraw/zinc/92/77/21/805927721.db2.gz WSSQIKLMYBTAPK-WBMJQRKESA-N 1 1 287.363 0.965 20 10 CCCDMO COC(=O)[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2O)CCO1 ZINC001232834939 805986109 /nfs/dbraw/zinc/98/61/09/805986109.db2.gz RDLZSFBMCQNZMH-AWEZNQCLSA-N 1 1 294.351 0.832 20 10 CCCDMO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2O)CCO1 ZINC001232834939 805986116 /nfs/dbraw/zinc/98/61/16/805986116.db2.gz RDLZSFBMCQNZMH-AWEZNQCLSA-N 1 1 294.351 0.832 20 10 CCCDMO NC(=O)[C@@H]1CCC[N@@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233482713 806059654 /nfs/dbraw/zinc/05/96/54/806059654.db2.gz ZLRRZBFPSOTUTH-MRVPVSSYSA-N 1 1 266.297 0.501 20 10 CCCDMO Cc1cccc(O)c1CN1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235065788 806367345 /nfs/dbraw/zinc/36/73/45/806367345.db2.gz YYLCQSJPNFXSEQ-OAHLLOKOSA-N 1 1 261.369 0.838 20 10 CCCDMO Oc1ccc(O)c(C[N@@H+]2CCc3nncn3CC2)c1 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ZINC000297871050 200296649 /nfs/dbraw/zinc/29/66/49/200296649.db2.gz MRNDAGIZAIMEOW-UHFFFAOYSA-N 1 1 291.395 0.826 20 10 CCCDMO OC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000187662655 329360300 /nfs/dbraw/zinc/36/03/00/329360300.db2.gz QAMMVJZHKOBJPU-HOTGVXAUSA-N 1 1 292.379 0.451 20 10 CCCDMO CN(Cc1ccccc1O)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000081951117 523383726 /nfs/dbraw/zinc/38/37/26/523383726.db2.gz CYMKUUOAFVQXGM-CYBMUJFWSA-N 1 1 264.325 0.681 20 10 CCCDMO CN(Cc1ccccc1O)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000081951117 523383731 /nfs/dbraw/zinc/38/37/31/523383731.db2.gz CYMKUUOAFVQXGM-CYBMUJFWSA-N 1 1 264.325 0.681 20 10 CCCDMO COCC[N@H+]1CC[C@H](NC(=O)c2cccc(O)c2O)C1 ZINC000279433771 523875109 /nfs/dbraw/zinc/87/51/09/523875109.db2.gz ZKSINZHXLDMNPI-JTQLQIEISA-N 1 1 280.324 0.548 20 10 CCCDMO C[C@H](O)C[N@@H+](CCO)Cc1ccc(N(C)C)cc1 ZINC000289361044 525746260 /nfs/dbraw/zinc/74/62/60/525746260.db2.gz AHKOAYCPEMPEAZ-LBPRGKRZSA-N 1 1 252.358 0.928 20 10 CCCDMO C[C@@]1(C(N)=O)CC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000235396100 525822355 /nfs/dbraw/zinc/82/23/55/525822355.db2.gz GRPWRFQLHJWXIC-CQSZACIVSA-N 1 1 278.308 0.818 20 10 CCCDMO NC(=O)C[C@@H]([NH3+])C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000269719865 526902583 /nfs/dbraw/zinc/90/25/83/526902583.db2.gz PVMSXDFWYPGEOL-CYBMUJFWSA-N 1 1 290.367 0.106 20 10 CCCDMO CN(C)c1ccc(C[N@H+]2CC[C@@H](S(N)(=O)=O)C2)cc1 ZINC000785985688 581426254 /nfs/dbraw/zinc/42/62/54/581426254.db2.gz QDHIYMIGPXQJEM-CYBMUJFWSA-N 1 1 283.397 0.615 20 10 CCCDMO OC[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)CCO1 ZINC000769399190 581686705 /nfs/dbraw/zinc/68/67/05/581686705.db2.gz XRSZCALLJIBGJO-INIZCTEOSA-N 1 1 292.379 0.716 20 10 CCCDMO OC[C@@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)CCO1 ZINC000769399190 581686707 /nfs/dbraw/zinc/68/67/07/581686707.db2.gz XRSZCALLJIBGJO-INIZCTEOSA-N 1 1 292.379 0.716 20 10 CCCDMO OCC[N@@H+](CCN1CCOCC1)Cc1ccccc1O ZINC000770509674 581749073 /nfs/dbraw/zinc/74/90/73/581749073.db2.gz QOXVRMNEKLOTKH-UHFFFAOYSA-N 1 1 280.368 0.519 20 10 CCCDMO COc1ccc(O)c(C[N@@H+](C)[C@@H]2CCNC2=O)c1 ZINC000775744462 582035912 /nfs/dbraw/zinc/03/59/12/582035912.db2.gz MDUQFIOWSXZYGB-LLVKDONJSA-N 1 1 250.298 0.721 20 10 CCCDMO COc1cc(O)c(C[N@@H+](C)CCC(N)=O)cc1OC ZINC000809713273 617207366 /nfs/dbraw/zinc/20/73/66/617207366.db2.gz GGFMUQPROSXVMP-UHFFFAOYSA-N 1 1 268.313 0.717 20 10 CCCDMO COc1ccc(C[N@H+]2C[C@H](O)C[C@@]2(C)CO)c(O)c1OC ZINC000895433465 617252304 /nfs/dbraw/zinc/25/23/04/617252304.db2.gz NDVKNVXINWFQKH-ABAIWWIYSA-N 1 1 297.351 0.727 20 10 CCCDMO COc1cccc(CN2CC([N@H+]3CC[C@@H](O)C3)C2)c1O ZINC000843421584 617296837 /nfs/dbraw/zinc/29/68/37/617296837.db2.gz IRQGABISHQXNPU-CYBMUJFWSA-N 1 1 278.352 0.652 20 10 CCCDMO CCN(C)c1ccc(C[N@H+]2CC[C@@](O)(C(N)=O)C2)cc1 ZINC000815099938 614920851 /nfs/dbraw/zinc/92/08/51/614920851.db2.gz IXGQAHKDDYSMDZ-HNNXBMFYSA-N 1 1 277.368 0.565 20 10 CCCDMO CC[N@@H+](CCO)CCNC(=O)NCCc1ccc(N)cc1 ZINC000841960667 615053115 /nfs/dbraw/zinc/05/31/15/615053115.db2.gz 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ZINC000843435185 616724323 /nfs/dbraw/zinc/72/43/23/616724323.db2.gz QWQAOWQTMIGCHE-JQWIXIFHSA-N 1 1 283.299 0.887 20 10 CCCDMO CNC(=O)[C@@H]1C[N@@H+](Cc2c(C)cccc2O)CCO1 ZINC000877192665 616830430 /nfs/dbraw/zinc/83/04/30/616830430.db2.gz QZDZHQTXJLEVCV-ZDUSSCGKSA-N 1 1 264.325 0.647 20 10 CCCDMO CNC(=O)[C@H]1CC[N@@H+](Cc2c(O)cccc2OC)C1 ZINC000817414745 616886474 /nfs/dbraw/zinc/88/64/74/616886474.db2.gz JOBNLNZZRLHXMN-JTQLQIEISA-N 1 1 264.325 0.969 20 10 CCCDMO COc1c(O)c(C[NH2+][C@H]2C[C@@H](C(N)=O)C2)ccc1[N+](=O)[O-] ZINC000846046612 617149191 /nfs/dbraw/zinc/14/91/91/617149191.db2.gz KFSIKEVWMGAMEJ-DTORHVGOSA-N 1 1 295.295 0.663 20 10 CCCDMO CC(=O)N[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000228356486 625391212 /nfs/dbraw/zinc/39/12/12/625391212.db2.gz KUYWWZJYZTTXFA-LLVKDONJSA-N 1 1 278.308 0.831 20 10 CCCDMO Cc1ccc(C(=O)NC[C@H]2CC[N@H+]2C)c(O)c1O ZINC000928555302 631984489 /nfs/dbraw/zinc/98/44/89/631984489.db2.gz NBKZPYFNFQDQIX-SECBINFHSA-N 1 1 250.298 0.840 20 10 CCCDMO Cc1ccc(C(=O)NC[C@H]2CC[N@@H+]2C)c(O)c1O ZINC000928555302 631984500 /nfs/dbraw/zinc/98/45/00/631984500.db2.gz NBKZPYFNFQDQIX-SECBINFHSA-N 1 1 250.298 0.840 20 10 CCCDMO CC[N@H+]1CC[C@@H](NC(=O)c2cc(OC)nc(OC)c2)C1 ZINC001015104022 650528615 /nfs/dbraw/zinc/52/86/15/650528615.db2.gz PJDZAUUSUFRJDS-LLVKDONJSA-N 1 1 279.340 0.923 20 10 CCCDMO Cc1cc(O)c(C[N@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)cc1C ZINC000824893746 641851702 /nfs/dbraw/zinc/85/17/02/641851702.db2.gz ZJQFGYQUSJEAJZ-TXEJJXNPSA-N 1 1 274.320 0.713 20 10 CCCDMO Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)Cc1ccc(N)cc1 ZINC000843475493 643070712 /nfs/dbraw/zinc/07/07/12/643070712.db2.gz WWVDSRQJULDEBW-CQSZACIVSA-N 1 1 299.378 0.718 20 10 CCCDMO C[C@@H](C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)N(C)C ZINC000844162427 643164111 /nfs/dbraw/zinc/16/41/11/643164111.db2.gz CHSRPGQVNRQKLC-SMDDNHRTSA-N 1 1 278.400 0.819 20 10 CCCDMO NC(=O)C[C@H]1C[N@@H+](Cc2ccccc2O)CCO1 ZINC000862535817 645005861 /nfs/dbraw/zinc/00/58/61/645005861.db2.gz YYNVEXTZEASGAK-NSHDSACASA-N 1 1 250.298 0.468 20 10 CCCDMO NC(=O)[C@@H]1CCC[N@@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233008801 806004164 /nfs/dbraw/zinc/00/41/64/806004164.db2.gz HLRVTOJDZHEYDJ-SECBINFHSA-N 1 1 266.297 0.501 20 10 CCCDMO C[N@H+]1C[C@@H]2C[C@H]1CN2Cc1cc(O)c(O)c(O)c1 ZINC001233014902 806006131 /nfs/dbraw/zinc/00/61/31/806006131.db2.gz FEQBXRBVDKPSHP-UWVGGRQHSA-N 1 1 250.298 0.692 20 10 CCCDMO [O-]c1cc(F)cc(F)c1CN1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001234987141 806330925 /nfs/dbraw/zinc/33/09/25/806330925.db2.gz MOCZNNMOELKCJT-CQSZACIVSA-N 1 1 283.322 0.808 20 10 CCCDMO O=C([O-])c1ccc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)c(O)c1 ZINC001234990425 806334785 /nfs/dbraw/zinc/33/47/85/806334785.db2.gz SNLVOKLBNXXUKE-OAHLLOKOSA-N 1 1 291.351 0.228 20 10 CCCDMO COc1cc(O)c(C[N@H+]2CC[C@@H](CO)[C@H](O)C2)cc1OC ZINC001236750728 806606965 /nfs/dbraw/zinc/60/69/65/806606965.db2.gz XZMHRGWQLPUUHS-GXFFZTMASA-N 1 1 297.351 0.585 20 10 CCCDMO COc1cc(O)c(C[N@H+]2CCOC[C@H](O)C2)cc1OC ZINC001236748874 806607610 /nfs/dbraw/zinc/60/76/10/806607610.db2.gz BKEXWCAUEVBPKF-LLVKDONJSA-N 1 1 283.324 0.603 20 10 CCCDMO COc1ccc(C[N@H+](C)C[C@@H](O)CO)c(O)c1Cl ZINC001236802216 806611281 /nfs/dbraw/zinc/61/12/81/806611281.db2.gz PFRSSNSQWDTIOO-SECBINFHSA-N 1 1 275.732 0.839 20 10 CCCDMO COc1ccc(C[N@@H+](C)C[C@@H](O)CO)c(O)c1Cl ZINC001236802216 806611285 /nfs/dbraw/zinc/61/12/85/806611285.db2.gz PFRSSNSQWDTIOO-SECBINFHSA-N 1 1 275.732 0.839 20 10 CCCDMO CCOc1ccc(C[N@H+]2CC[C@@H](CO)[C@H](O)C2)c(O)c1 ZINC001237050975 806634582 /nfs/dbraw/zinc/63/45/82/806634582.db2.gz ZFVNPHKKGKQFHU-SWLSCSKDSA-N 1 1 281.352 0.966 20 10 CCCDMO C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCc1ccc(N)cc1 ZINC001122540400 799259189 /nfs/dbraw/zinc/25/91/89/799259189.db2.gz UDRQQHJVVXHYQF-SMDDNHRTSA-N 1 1 274.368 0.273 20 10 CCCDMO OC[C@@H]1C[N@@H+](Cc2cc(F)ccc2O)CC[C@H]1O ZINC001140058077 799877377 /nfs/dbraw/zinc/87/73/77/799877377.db2.gz SDEAGOAGTPYJHD-GXFFZTMASA-N 1 1 255.289 0.706 20 10 CCCDMO Cc1ccc(C[N@H+]2CC[C@@H](CO)[C@H](O)C2)c(O)c1 ZINC001140947790 799964364 /nfs/dbraw/zinc/96/43/64/799964364.db2.gz FUXVVRKRVRQKPU-GXTWGEPZSA-N 1 1 251.326 0.876 20 10 CCCDMO COc1cc(O)c(C[N@H+]2CC[C@@H](CO)[C@H](O)C2)c(OC)c1 ZINC001141031578 799973749 /nfs/dbraw/zinc/97/37/49/799973749.db2.gz IDEUAXBPVWJLIS-IINYFYTJSA-N 1 1 297.351 0.585 20 10 CCCDMO Oc1ccc(O)c(C[NH+]2CCN(C3COC3)CC2)c1 ZINC001141156054 799985523 /nfs/dbraw/zinc/98/55/23/799985523.db2.gz PBIJGCHXGPYCQG-UHFFFAOYSA-N 1 1 264.325 0.614 20 10 CCCDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[C@@H](N)C[NH2+]1 ZINC001161134945 802098423 /nfs/dbraw/zinc/09/84/23/802098423.db2.gz RHEDIFNFPIUJTH-HIFRSBDPSA-N 1 1 290.411 0.790 20 10 CCCDMO Cn1ccc(-c2nccnc2N2CC[NH+](C)CC2)cc1=O ZINC001240977946 806960282 /nfs/dbraw/zinc/96/02/82/806960282.db2.gz GGXBDYFSJKECKA-UHFFFAOYSA-N 1 1 285.351 0.594 20 10 CCCDMO COc1cccc(C[N@H+]2C[C@@H](O)[C@H](CO)C2)c1O ZINC001203590499 803035888 /nfs/dbraw/zinc/03/58/88/803035888.db2.gz ZVMXNCXETXZQKO-WDEREUQCSA-N 1 1 253.298 0.186 20 10 CCCDMO COC(=O)[C@@H]1C[N@H+](Cc2cc(OC)ccc2O)CCN1C ZINC001203680138 803041838 /nfs/dbraw/zinc/04/18/38/803041838.db2.gz HASXNOLRJOJZJQ-ZDUSSCGKSA-N 1 1 294.351 0.690 20 10 CCCDMO COC(=O)[C@@H]1C[N@@H+](Cc2cc(OC)ccc2O)CCN1C ZINC001203680138 803041844 /nfs/dbraw/zinc/04/18/44/803041844.db2.gz HASXNOLRJOJZJQ-ZDUSSCGKSA-N 1 1 294.351 0.690 20 10 CCCDMO CNC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(O)cc2O)C1 ZINC001204277723 803076865 /nfs/dbraw/zinc/07/68/65/803076865.db2.gz JCDOOYVPZQRIFG-NSHDSACASA-N 1 1 279.340 0.991 20 10 CCCDMO COC(=O)Cc1ccc(C[N@H+]2C[C@H](C)[C@H](O)C2)c(O)c1 ZINC001249173114 807546579 /nfs/dbraw/zinc/54/65/79/807546579.db2.gz QSZBSASHPXSNKE-IINYFYTJSA-N 1 1 279.336 0.920 20 10 CCCDMO COC(=O)Cc1ccc(C[N@H+]2CC(=O)N[C@H](C)C2)c(O)c1 ZINC001249171123 807546663 /nfs/dbraw/zinc/54/66/63/807546663.db2.gz AAXGSPAXWZZVBX-SNVBAGLBSA-N 1 1 292.335 0.428 20 10 CCCDMO COC(=O)Cc1ccc(C[N@@H+]2CC(=O)N[C@H](C)C2)c(O)c1 ZINC001249171123 807546667 /nfs/dbraw/zinc/54/66/67/807546667.db2.gz AAXGSPAXWZZVBX-SNVBAGLBSA-N 1 1 292.335 0.428 20 10 CCCDMO C[N@H+]1C[C@H]2C[C@@H](C1)N2C(=O)Cc1ccc(O)c(O)c1 ZINC001270575393 813819890 /nfs/dbraw/zinc/81/98/90/813819890.db2.gz LQIGYWWNWCMLOL-PHIMTYICSA-N 1 1 262.309 0.555 20 10 CCCDMO C[N@@H+]1C[C@H]2C[C@@H](C1)N2C(=O)Cc1ccc(O)c(O)c1 ZINC001270575393 813819899 /nfs/dbraw/zinc/81/98/99/813819899.db2.gz LQIGYWWNWCMLOL-PHIMTYICSA-N 1 1 262.309 0.555 20 10 CCCDMO C[N@H+]1C[C@H]2C[C@@H](C1)N2C(=O)CCc1ccc(O)c(O)c1 ZINC001271834365 814603756 /nfs/dbraw/zinc/60/37/56/814603756.db2.gz MNSFYYRJFRHPFA-TXEJJXNPSA-N 1 1 276.336 0.945 20 10 CCCDMO C[N@@H+]1C[C@H]2C[C@@H](C1)N2C(=O)CCc1ccc(O)c(O)c1 ZINC001271834365 814603760 /nfs/dbraw/zinc/60/37/60/814603760.db2.gz MNSFYYRJFRHPFA-TXEJJXNPSA-N 1 1 276.336 0.945 20 10 CCCDMO C[C@@]1(CO)CC[N@H+](Cc2cc(O)c(O)c(O)c2)C[C@H]1O ZINC001233009962 816261439 /nfs/dbraw/zinc/26/14/39/816261439.db2.gz FHWQOOJVVPPBCG-OCCSQVGLSA-N 1 1 283.324 0.369 20 10 CCCDMO C[C@@]1(CO)CC[N@@H+](Cc2cc(O)c(O)c(O)c2)C[C@H]1O ZINC001233009962 816261444 /nfs/dbraw/zinc/26/14/44/816261444.db2.gz FHWQOOJVVPPBCG-OCCSQVGLSA-N 1 1 283.324 0.369 20 10 CCCDMO CC(=O)N1CC[C@@H]([NH2+]CC(=O)c2ccc(O)c(O)c2)C1 ZINC001169510069 836314160 /nfs/dbraw/zinc/31/41/60/836314160.db2.gz JOBDDXMCTNHKIF-LLVKDONJSA-N 1 1 278.308 0.491 20 10 CCCDMO OC[C@H]1C[C@H](F)C[N@@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144499169 840065052 /nfs/dbraw/zinc/06/50/52/840065052.db2.gz CXZYXVYOAPOYTN-IUCAKERBSA-N 1 1 271.288 0.956 20 10 CCCDMO CN1CC[C@@]2(CC[N@@H+](Cc3c(O)cc(O)cc3O)C2)C1=O ZINC001273671773 846231435 /nfs/dbraw/zinc/23/14/35/846231435.db2.gz QPANNVGQDIMFQI-HNNXBMFYSA-N 1 1 292.335 0.858 20 10 CCCDMO COc1cc(CN2CCCC[C@](O)(C[NH3+])C2)c(O)cc1O ZINC001205688929 846473415 /nfs/dbraw/zinc/47/34/15/846473415.db2.gz MDZFVFOVXGPHFL-HNNXBMFYSA-N 1 1 296.367 0.782 20 10 CCCDMO [NH3+]C[C@@]1(O)CCCCN(Cc2cc(O)c(O)cc2O)C1 ZINC001205725662 846617735 /nfs/dbraw/zinc/61/77/35/846617735.db2.gz JQKGSJRWIPKKCE-AWEZNQCLSA-N 1 1 282.340 0.479 20 10 CCCDMO Cc1cc(C)c(CN2CC[C@@H]([NH3+])[C@H](O)C2)c(O)c1 ZINC001205966743 848147755 /nfs/dbraw/zinc/14/77/55/848147755.db2.gz AZPDGJVKEGCQBT-TZMCWYRMSA-N 1 1 250.342 0.903 20 10 CCCDMO COc1cccc(C[NH2+]Cc2cc(C(N)=O)no2)c1O ZINC001325360704 913362355 /nfs/dbraw/zinc/36/23/55/913362355.db2.gz RISFFECCADBOIG-UHFFFAOYSA-N 1 1 277.280 0.778 20 10 CCCDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCc1ccc(N)cc1 ZINC001336974573 921136293 /nfs/dbraw/zinc/13/62/93/921136293.db2.gz AZUQNSQARJWHBX-AWEZNQCLSA-N 1 1 291.399 0.314 20 10 CCCDMO Cn1nnnc1CCC[NH2+]Cc1cc(F)cc(F)c1O ZINC001333826820 919192835 /nfs/dbraw/zinc/19/28/35/919192835.db2.gz ONARXLHINKRVMK-UHFFFAOYSA-N 1 1 283.282 0.916 20 10 CCCDMO Cn1nc2c(cc1=O)C[N@H+](Cc1ccc(N)cc1)CC2 ZINC001334753166 919743558 /nfs/dbraw/zinc/74/35/58/919743558.db2.gz AUBACYKJUHVWAI-UHFFFAOYSA-N 1 1 270.336 0.921 20 10 CCCDMO O=C(C[NH+]1CCC(CO)CC1)NCc1ccccc1O ZINC001335820787 920460346 /nfs/dbraw/zinc/46/03/46/920460346.db2.gz PFXAZPLZOUPDJL-UHFFFAOYSA-N 1 1 278.352 0.713 20 10 CCCDMO Cc1ccc(O)c(C[NH+]2CCN(C(=O)[C@@H](C)O)CC2)c1 ZINC000093706906 349552828 /nfs/dbraw/zinc/55/28/28/349552828.db2.gz OMRHLDQYWFYJPR-GFCCVEGCSA-N 1 1 278.352 0.726 20 10 CCCDMO C[C@H](C(N)=O)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000015571744 348042269 /nfs/dbraw/zinc/04/22/69/348042269.db2.gz YXTRCCCHAWABDI-GFCCVEGCSA-N 1 1 277.368 0.829 20 10 CCCDMO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1O ZINC000187569748 351547476 /nfs/dbraw/zinc/54/74/76/351547476.db2.gz NDMYXSDPBAHBRA-MNOVXSKESA-N 1 1 251.282 0.500 20 10 CCCDMO COC[C@H](O)C[NH2+][C@H](C)c1cc(C(=O)OC)ccc1O ZINC000273583711 353112396 /nfs/dbraw/zinc/11/23/96/353112396.db2.gz NGLNTAJTQVGPOP-MWLCHTKSSA-N 1 1 283.324 0.837 20 10 CCCDMO Oc1cc2c(cc1C[N@@H+]1CCOC[C@@H](O)C1)OCO2 ZINC000294904361 199240974 /nfs/dbraw/zinc/24/09/74/199240974.db2.gz XOJXXMCICFLCFU-JTQLQIEISA-N 1 1 267.281 0.314 20 10 CCCDMO OC[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000092764682 389032429 /nfs/dbraw/zinc/03/24/29/389032429.db2.gz DJMUHFGIEUQQFG-SECBINFHSA-N 1 1 251.282 0.935 20 10 CCCDMO CNC(=O)NC(=O)CC[N@@H+](C)Cc1ccccc1O ZINC000109769049 389100049 /nfs/dbraw/zinc/10/00/49/389100049.db2.gz RSKXHBDLPOUSOO-UHFFFAOYSA-N 1 1 265.313 0.670 20 10 CCCDMO NC(=O)[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000119918021 389141368 /nfs/dbraw/zinc/14/13/68/389141368.db2.gz FEJAGDDCVOQUNW-VIFPVBQESA-N 1 1 278.308 0.818 20 10 CCCDMO NC(=O)C[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000377160998 268051332 /nfs/dbraw/zinc/05/13/32/268051332.db2.gz IARBRYYFOLWTKF-VIFPVBQESA-N 1 1 278.308 0.818 20 10 CCCDMO COCC[N@H+]1CC[C@H](NC(=O)Cc2ccc(N)cc2)C1 ZINC000269256495 328190185 /nfs/dbraw/zinc/19/01/85/328190185.db2.gz KHRVXJIIZKTHRV-AWEZNQCLSA-N 1 1 277.368 0.648 20 10 CCCDMO CC[N@@H+]1CCO[C@H](C(=O)NCc2cc(OC)ccc2O)C1 ZINC000177163291 329181464 /nfs/dbraw/zinc/18/14/64/329181464.db2.gz DLEGLNCIXCJESF-AWEZNQCLSA-N 1 1 294.351 0.738 20 10 CCCDMO CC[N@H+]1CCO[C@H](C(=O)NCc2cc(OC)ccc2O)C1 ZINC000177163291 329181465 /nfs/dbraw/zinc/18/14/65/329181465.db2.gz DLEGLNCIXCJESF-AWEZNQCLSA-N 1 1 294.351 0.738 20 10 CCCDMO Cc1c[nH+]cn1CC(=O)NCCc1ccc(O)c(O)c1 ZINC000528856772 333462001 /nfs/dbraw/zinc/46/20/01/333462001.db2.gz GCPIMJIRCNFWJZ-UHFFFAOYSA-N 1 1 275.308 0.962 20 10 CCCDMO OCC[NH+]1CCN(Cc2cc(F)ccc2O)CC1 ZINC000183243825 518203314 /nfs/dbraw/zinc/20/33/14/518203314.db2.gz QHVJNXVLCOJFNP-UHFFFAOYSA-N 1 1 254.305 0.641 20 10 CCCDMO Oc1ccc(Br)cc1C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000278128014 526341554 /nfs/dbraw/zinc/34/15/54/526341554.db2.gz BSFYHRGUAHXMHN-QWRGUYRKSA-N 1 1 288.141 0.692 20 10 CCCDMO CCN(CC(N)=O)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000789596038 581152238 /nfs/dbraw/zinc/15/22/38/581152238.db2.gz IUICGAXIRXSQOM-UHFFFAOYSA-N 1 1 290.411 0.746 20 10 CCCDMO CCOc1ccc(C[N@@H+]2CCO[C@@H](C(=O)NC)C2)c(O)c1 ZINC000781926289 581280643 /nfs/dbraw/zinc/28/06/43/581280643.db2.gz MDRRKIRKFMJEQO-CQSZACIVSA-N 1 1 294.351 0.738 20 10 CCCDMO CCOc1ccc(C[N@H+]2CCO[C@@H](C(=O)NC)C2)c(O)c1 ZINC000781926289 581280647 /nfs/dbraw/zinc/28/06/47/581280647.db2.gz MDRRKIRKFMJEQO-CQSZACIVSA-N 1 1 294.351 0.738 20 10 CCCDMO COc1cccc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)c1O ZINC000729858930 581617347 /nfs/dbraw/zinc/61/73/47/581617347.db2.gz GWNAIRUFZODFGR-LLVKDONJSA-N 1 1 264.325 0.969 20 10 CCCDMO O=C1CC[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)CCN1 ZINC000768447608 582106825 /nfs/dbraw/zinc/10/68/25/582106825.db2.gz AEJSHNZSFMIYHY-GFCCVEGCSA-N 1 1 278.308 0.140 20 10 CCCDMO COc1cc(C)cc(C[NH+]2CCN(C(=O)CO)CC2)c1O ZINC000894685629 617175009 /nfs/dbraw/zinc/17/50/09/617175009.db2.gz HKFJKDGGGPZCKR-UHFFFAOYSA-N 1 1 294.351 0.346 20 10 CCCDMO COc1ccc(N2CCC[N@@H+](C[C@H](O)CO)CC2)cc1 ZINC000929317017 617267656 /nfs/dbraw/zinc/26/76/56/617267656.db2.gz UXWUSSXREKGRJA-AWEZNQCLSA-N 1 1 280.368 0.561 20 10 CCCDMO CCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(N)cc2)C1 ZINC000850852483 614745606 /nfs/dbraw/zinc/74/56/06/614745606.db2.gz ILAFGJGSCFJQIC-ZDUSSCGKSA-N 1 1 290.367 0.808 20 10 CCCDMO CCOc1ccc(O)c(C[N@@H+]2CCO[C@H](CC(N)=O)C2)c1 ZINC000862534409 615512070 /nfs/dbraw/zinc/51/20/70/615512070.db2.gz BCPSBNITHFYHIT-CYBMUJFWSA-N 1 1 294.351 0.867 20 10 CCCDMO CCOc1ccc(O)c(C[N@H+]2CCO[C@H](CC(N)=O)C2)c1 ZINC000862534409 615512071 /nfs/dbraw/zinc/51/20/71/615512071.db2.gz BCPSBNITHFYHIT-CYBMUJFWSA-N 1 1 294.351 0.867 20 10 CCCDMO CCOc1ccc(O)c(C[N@H+]2C[C@@H](O)[C@H](OC)C2)c1 ZINC000825017709 615512256 /nfs/dbraw/zinc/51/22/56/615512256.db2.gz XXPVIESVCRCIEV-ZIAGYGMSSA-N 1 1 267.325 0.982 20 10 CCCDMO CN(C)c1ccc(CN(C)c2nc(N)nc(N)[nH+]2)cc1 ZINC000858323332 616013998 /nfs/dbraw/zinc/01/39/98/616013998.db2.gz HMJFKCSYFZIJHV-UHFFFAOYSA-N 1 1 273.344 0.738 20 10 CCCDMO CN(C)c1ccc(C[N@H+]2C[C@@H](O)[C@H](CO)C2)cc1 ZINC000839166091 616014442 /nfs/dbraw/zinc/01/44/42/616014442.db2.gz PJJQBOWQGVGKAB-GXTWGEPZSA-N 1 1 250.342 0.538 20 10 CCCDMO CN(Cc1cc(Br)ccc1O)C[C@H](O)C[NH3+] ZINC000841091975 616164397 /nfs/dbraw/zinc/16/43/97/616164397.db2.gz ITFLUIIUBIIQTH-SNVBAGLBSA-N 1 1 289.173 0.906 20 10 CCCDMO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCc1c(O)cccc1F ZINC000928709712 616476107 /nfs/dbraw/zinc/47/61/07/616476107.db2.gz DOWWKILIDMHFLH-OTYXRUKQSA-N 1 1 282.315 0.603 20 10 CCCDMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCc1c(O)cccc1F ZINC000928709712 616476109 /nfs/dbraw/zinc/47/61/09/616476109.db2.gz DOWWKILIDMHFLH-OTYXRUKQSA-N 1 1 282.315 0.603 20 10 CCCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H]2CCNC2=O)c1 ZINC000850483353 616918388 /nfs/dbraw/zinc/91/83/88/616918388.db2.gz YEYDVNIRUIAEOI-KCJUWKMLSA-N 1 1 278.308 0.718 20 10 CCCDMO CON1CC[C@H]([N@@H+](C)Cc2ccccc2O)C1=O ZINC000929976715 617097093 /nfs/dbraw/zinc/09/70/93/617097093.db2.gz QGYKODQFQASZKB-NSHDSACASA-N 1 1 250.298 0.986 20 10 CCCDMO COC(=O)[C@@H]1C[N@H+](Cc2ccccc2O)CCO1 ZINC000179570258 623333226 /nfs/dbraw/zinc/33/32/26/623333226.db2.gz IAEGBSZUIKTBJV-LBPRGKRZSA-N 1 1 251.282 0.766 20 10 CCCDMO COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2O)CCO1 ZINC000179570258 623333229 /nfs/dbraw/zinc/33/32/29/623333229.db2.gz IAEGBSZUIKTBJV-LBPRGKRZSA-N 1 1 251.282 0.766 20 10 CCCDMO NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000160327178 624704935 /nfs/dbraw/zinc/70/49/35/624704935.db2.gz OVBDIIWOWBIZAS-OAHLLOKOSA-N 1 1 289.379 0.973 20 10 CCCDMO O=C1NC(=O)[C@@H]2C[N@H+](Cc3cc(F)cc(F)c3O)C[C@H]12 ZINC000894904192 631880060 /nfs/dbraw/zinc/88/00/60/631880060.db2.gz ZUYURYAGTYQZRG-DTORHVGOSA-N 1 1 282.246 0.375 20 10 CCCDMO O=C1NC(=O)[C@@H]2C[N@@H+](Cc3cc(F)cc(F)c3O)C[C@H]12 ZINC000894904192 631880066 /nfs/dbraw/zinc/88/00/66/631880066.db2.gz ZUYURYAGTYQZRG-DTORHVGOSA-N 1 1 282.246 0.375 20 10 CCCDMO C[C@]1(CO)C[C@@H](O)C[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000895325138 632055042 /nfs/dbraw/zinc/05/50/42/632055042.db2.gz OHIILADZODZBDI-NOZJJQNGSA-N 1 1 273.279 0.988 20 10 CCCDMO Cc1cc(O)c(C[N@H+]2C[C@H](O)C[C@H]2C(N)=O)cc1C ZINC000895368583 632068596 /nfs/dbraw/zinc/06/85/96/632068596.db2.gz UFPIKRZPZGZULY-NEPJUHHUSA-N 1 1 264.325 0.430 20 10 CCCDMO Cc1ccc([C@H](C)[NH2+]CC(=O)N2CCNCC2)c(O)c1 ZINC000817945742 641281743 /nfs/dbraw/zinc/28/17/43/641281743.db2.gz KOYGDLVJEJUOQH-LBPRGKRZSA-N 1 1 277.368 0.783 20 10 CCCDMO OCCO[C@]1(C[NH2+]Cc2cccc(F)c2O)CCOC1 ZINC000826943704 641969849 /nfs/dbraw/zinc/96/98/49/641969849.db2.gz YQSQTLURWIVJOI-AWEZNQCLSA-N 1 1 285.315 0.789 20 10 CCCDMO O=C(NC[C@H]1CCCC[N@@H+]1CCO)c1cccc(O)c1O ZINC000833559996 642539956 /nfs/dbraw/zinc/53/99/56/642539956.db2.gz YLJOBTMUARQYGN-LLVKDONJSA-N 1 1 294.351 0.674 20 10 CCCDMO C[C@H](C(=O)NCCc1ccc(N)cc1)N1CC[NH+](C)CC1 ZINC000843342568 643036335 /nfs/dbraw/zinc/03/63/35/643036335.db2.gz NRMPQARWDPTFGC-CYBMUJFWSA-N 1 1 290.411 0.563 20 10 CCCDMO Oc1ccc(F)cc1CN1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000843423282 643053206 /nfs/dbraw/zinc/05/32/06/643053206.db2.gz BUNYWNMLNRZPFY-CYBMUJFWSA-N 1 1 266.316 0.782 20 10 CCCDMO Cc1ccc(O)c(CN2CC[N@H+]3C[C@H](O)C[C@H]3C2)c1 ZINC000848925843 643689388 /nfs/dbraw/zinc/68/93/88/643689388.db2.gz FSVXJMHMCLTJQS-UONOGXRCSA-N 1 1 262.353 0.951 20 10 CCCDMO Cc1ccc(O)c(C[N@@H+]2CCN3C[C@H](O)C[C@H]3C2)c1 ZINC000848925843 643689394 /nfs/dbraw/zinc/68/93/94/643689394.db2.gz FSVXJMHMCLTJQS-UONOGXRCSA-N 1 1 262.353 0.951 20 10 CCCDMO Cc1ccc(O)c(C[N@H+]2CCN3C[C@H](O)C[C@H]3C2)c1 ZINC000848925843 643689400 /nfs/dbraw/zinc/68/94/00/643689400.db2.gz FSVXJMHMCLTJQS-UONOGXRCSA-N 1 1 262.353 0.951 20 10 CCCDMO O[C@@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C[C@@H]1O ZINC000876749049 646657359 /nfs/dbraw/zinc/65/73/59/646657359.db2.gz HRIXRXSXYMMSRN-IYBDPMFKSA-N 1 1 292.379 0.185 20 10 CCCDMO C[C@@H]1CN(C(=O)c2cccc(O)c2O)CC[N@@H+]1C ZINC000126412778 646759488 /nfs/dbraw/zinc/75/94/88/646759488.db2.gz MQJRTRQFBPHPQG-SECBINFHSA-N 1 1 250.298 0.874 20 10 CCCDMO C[C@@H]1CN(C(=O)c2cccc(O)c2O)CC[N@H+]1C ZINC000126412778 646759491 /nfs/dbraw/zinc/75/94/91/646759491.db2.gz MQJRTRQFBPHPQG-SECBINFHSA-N 1 1 250.298 0.874 20 10 CCCDMO Oc1ccc(Cl)cc1C[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000877749657 646839279 /nfs/dbraw/zinc/83/92/79/646839279.db2.gz ZZEFFUBIVVFRBG-NEPJUHHUSA-N 1 1 257.717 0.973 20 10 CCCDMO COc1ccc(C[N@H+]2CC[C@@H]3C[C@@]32C(N)=O)c(O)c1 ZINC001277453693 805595100 /nfs/dbraw/zinc/59/51/00/805595100.db2.gz GNPFAMYIGCTQJW-YGRLFVJLSA-N 1 1 262.309 0.851 20 10 CCCDMO COc1ccc(O)c(C[N@@H+]2C[C@@H]3C(C(N)=O)=NO[C@@H]3C2)c1 ZINC001277463012 805646921 /nfs/dbraw/zinc/64/69/21/805646921.db2.gz FFXYBQUPIYYTID-CMPLNLGQSA-N 1 1 291.307 0.073 20 10 CCCDMO NC(=O)[C@@]12C[C@@H]1C[N@@H+](Cc1c([O-])cccc1F)C2 ZINC001277484543 805725024 /nfs/dbraw/zinc/72/50/24/805725024.db2.gz QUHPHACULWAFRV-AMIZOPFISA-N 1 1 250.273 0.839 20 10 CCCDMO NC(=O)[C@@]12C[C@@H]1C[N@H+](Cc1c(O)cccc1F)C2 ZINC001277484543 805725028 /nfs/dbraw/zinc/72/50/28/805725028.db2.gz QUHPHACULWAFRV-AMIZOPFISA-N 1 1 250.273 0.839 20 10 CCCDMO NC(=O)[C@@]12C[C@@H]1C[N@@H+](Cc1c(O)cccc1F)C2 ZINC001277484543 805725032 /nfs/dbraw/zinc/72/50/32/805725032.db2.gz QUHPHACULWAFRV-AMIZOPFISA-N 1 1 250.273 0.839 20 10 CCCDMO OC[C@@H]1C[N@@H+](Cc2cc(Cl)c(O)cc2O)CC[C@@H]1O ZINC001232260535 805914332 /nfs/dbraw/zinc/91/43/32/805914332.db2.gz RFUQOVIEOAQKNA-ONGXEEELSA-N 1 1 287.743 0.926 20 10 CCCDMO CC(C)(C)[N@H+](Cc1cc(O)c(O)c(O)c1)C[C@@H](O)CO ZINC001233014428 806006977 /nfs/dbraw/zinc/00/69/77/806006977.db2.gz UIKIPSBOHXRBCY-SNVBAGLBSA-N 1 1 285.340 0.757 20 10 CCCDMO Cc1c(O)ccc(C[N@H+]2CC[C@H](CO)[C@@H](O)C2)c1O ZINC001140743877 799937353 /nfs/dbraw/zinc/93/73/53/799937353.db2.gz CLVCFCZTNYERAH-YPMHNXCESA-N 1 1 267.325 0.581 20 10 CCCDMO C[C@]1(CO)CC[N@@H+](Cc2cc(O)ccc2O)C[C@@H]1O ZINC001141156126 799984334 /nfs/dbraw/zinc/98/43/34/799984334.db2.gz FZRUFVSRKGLSHN-UONOGXRCSA-N 1 1 267.325 0.663 20 10 CCCDMO NC(=O)[C@@H]1CCC[N@@H+](Cc2cc(O)ccc2O)C1 ZINC001141156409 799984913 /nfs/dbraw/zinc/98/49/13/799984913.db2.gz WPLQZWGJSLJWGU-SECBINFHSA-N 1 1 250.298 0.795 20 10 CCCDMO CC[N@@H+]1CC[C@@H]1C(=O)NCc1cc(O)ccc1O ZINC001153884662 800685810 /nfs/dbraw/zinc/68/58/10/800685810.db2.gz FEQJQINCTMVIAT-LLVKDONJSA-N 1 1 250.298 0.808 20 10 CCCDMO CC[N@H+]1CC[C@@H]1C(=O)NCc1cc(O)ccc1O ZINC001153884662 800685814 /nfs/dbraw/zinc/68/58/14/800685814.db2.gz FEQJQINCTMVIAT-LLVKDONJSA-N 1 1 250.298 0.808 20 10 CCCDMO O=C([C@@H]1COC[NH2+]1)N1CCCc2cc(O)c(O)cc2C1 ZINC001160924662 802048064 /nfs/dbraw/zinc/04/80/64/802048064.db2.gz NSAZGNCCXGDJKX-NSHDSACASA-N 1 1 278.308 0.319 20 10 CCCDMO COc1cccc(C[NH+]2CC3(C2)CS(=O)C3)c1O ZINC001203590035 803035751 /nfs/dbraw/zinc/03/57/51/803035751.db2.gz RMCKSQMZTKTMOX-UHFFFAOYSA-N 1 1 267.350 0.965 20 10 CCCDMO COc1ccc(O)c(C[N@H+]2C[C@H](O)[C@H](CO)C2)c1 ZINC001203670596 803041371 /nfs/dbraw/zinc/04/13/71/803041371.db2.gz UPCVKTQJCWKVOE-GWCFXTLKSA-N 1 1 253.298 0.186 20 10 CCCDMO CN(C)C(=O)N1CC[NH+](Cc2ccc(O)cc2O)CC1 ZINC001204271643 803074650 /nfs/dbraw/zinc/07/46/50/803074650.db2.gz AYEGAJSMINSJBH-UHFFFAOYSA-N 1 1 279.340 0.897 20 10 CCCDMO O=S1CC2(C[NH+](Cc3ccc(O)cc3O)C2)C1 ZINC001204275827 803075127 /nfs/dbraw/zinc/07/51/27/803075127.db2.gz CNKPLBRLYZNRBI-UHFFFAOYSA-N 1 1 253.323 0.662 20 10 CCCDMO Nc1ccc(CC(=O)NCC2([NH+]3CCCC3)COC2)cc1 ZINC001220197878 804534434 /nfs/dbraw/zinc/53/44/34/804534434.db2.gz VGAPWEZKDOESHJ-UHFFFAOYSA-N 1 1 289.379 0.792 20 10 CCCDMO COC[C@@H](O)C[NH2+]C1CCN(Cc2ccccc2O)CC1 ZINC001252829335 807974950 /nfs/dbraw/zinc/97/49/50/807974950.db2.gz QEUOBTZNYDJGDD-HNNXBMFYSA-N 1 1 294.395 0.954 20 10 CCCDMO COc1ccc(C[N@H+]2CCNC(=O)CC2)c(O)c1 ZINC000093101951 814157578 /nfs/dbraw/zinc/15/75/78/814157578.db2.gz HSUUEOVJLMHRMJ-UHFFFAOYSA-N 1 1 250.298 0.723 20 10 CCCDMO Oc1c(F)cccc1C[NH2+]CCN1CCNC1=S ZINC001184441293 844232003 /nfs/dbraw/zinc/23/20/03/844232003.db2.gz XHXIJCZSSYUJSY-UHFFFAOYSA-N 1 1 269.345 0.811 20 10 CCCDMO C[C@H]1C(=O)NCC[N@H+]1Cc1c(O)cc(O)cc1O ZINC001144508903 840073290 /nfs/dbraw/zinc/07/32/90/840073290.db2.gz CMFKMCGQHKMHFW-ZETCQYMHSA-N 1 1 252.270 0.124 20 10 CCCDMO C[C@H]1C(=O)NCC[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144508903 840073301 /nfs/dbraw/zinc/07/33/01/840073301.db2.gz CMFKMCGQHKMHFW-ZETCQYMHSA-N 1 1 252.270 0.124 20 10 CCCDMO COCCC[NH+]1CCN(Cc2c(O)cc(O)cc2O)CC1 ZINC001144514379 840073374 /nfs/dbraw/zinc/07/33/74/840073374.db2.gz ALVVRNFEFQAYLE-UHFFFAOYSA-N 1 1 296.367 0.958 20 10 CCCDMO Oc1cc(F)c(F)cc1C[NH2+]C[C@H](O)Cn1ccnn1 ZINC001206204002 842098508 /nfs/dbraw/zinc/09/85/08/842098508.db2.gz FOBUOXFVJSAXGY-VIFPVBQESA-N 1 1 284.266 0.413 20 10 CCCDMO Cc1cc(C)c(CNC(=O)[C@H]2C[N@H+](C)CCO2)c(O)c1 ZINC001180764480 843295494 /nfs/dbraw/zinc/29/54/94/843295494.db2.gz ZCUVUIMTOVUUKB-CQSZACIVSA-N 1 1 278.352 0.956 20 10 CCCDMO Cc1cc(C)c(CNC(=O)[C@H]2C[N@@H+](C)CCO2)c(O)c1 ZINC001180764480 843295499 /nfs/dbraw/zinc/29/54/99/843295499.db2.gz ZCUVUIMTOVUUKB-CQSZACIVSA-N 1 1 278.352 0.956 20 10 CCCDMO Cc1c(O)ccc(C[N@H+]2C[C@@H]3COC[C@H](C2)N3C)c1O ZINC001276112596 848931084 /nfs/dbraw/zinc/93/10/84/848931084.db2.gz JQZQTEDFCVCCFV-BETUJISGSA-N 1 1 278.352 0.921 20 10 CCCDMO COCC[N@@H+](Cc1ccc(N)cc1)[C@H](C)C(N)=O ZINC001120263248 857023889 /nfs/dbraw/zinc/02/38/89/857023889.db2.gz LZLDEJGUKTYWSH-SNVBAGLBSA-N 1 1 251.330 0.591 20 10 CCCDMO CN1C(=O)[C@H]2C[N@@H+](Cc3ccc(N)cc3)C[C@H]2C1=O ZINC001120371930 857049622 /nfs/dbraw/zinc/04/96/22/857049622.db2.gz VMHIMUUDFLPPNN-TXEJJXNPSA-N 1 1 259.309 0.315 20 10 CCCDMO O=C1NCCn2c(C[NH2+][C@@H]3CCc4cccc(O)c43)nnc21 ZINC001331933517 917728687 /nfs/dbraw/zinc/72/86/87/917728687.db2.gz OSBWISVJXHUXGX-SNVBAGLBSA-N 1 1 299.334 0.504 20 10 CCCDMO CS(=O)(=O)NCC[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000294202911 353878284 /nfs/dbraw/zinc/87/82/84/353878284.db2.gz KYBUPEZEWXCYQI-UHFFFAOYSA-N 1 1 296.751 0.824 20 10 CCCDMO C[C@@]1(F)C[NH2+]CCN(C(=O)Cc2ccc(N)cc2)C1 ZINC000295274631 353892513 /nfs/dbraw/zinc/89/25/13/353892513.db2.gz SIBFCYZIHZATJJ-CQSZACIVSA-N 1 1 265.332 0.971 20 10 CCCDMO COc1ccc(O)c(C[N@H+]2CCOC[C@H](O)C2)c1 ZINC000294736212 199159504 /nfs/dbraw/zinc/15/95/04/199159504.db2.gz GRWYHUGOPVNTKT-LLVKDONJSA-N 1 1 253.298 0.594 20 10 CCCDMO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1cccc(O)c1O ZINC000253103128 389266560 /nfs/dbraw/zinc/26/65/60/389266560.db2.gz YLYYGFAOJYWZPZ-QWRGUYRKSA-N 1 1 292.335 0.691 20 10 CCCDMO CCN1C(=O)[C@@H]2C[N@@H+](Cc3ccccc3O)CCN2C1=O ZINC000368588000 262106130 /nfs/dbraw/zinc/10/61/30/262106130.db2.gz CAXFDAAKDPHLBU-LBPRGKRZSA-N 1 1 289.335 0.861 20 10 CCCDMO Nc1ccc(CC(=O)N2CC[NH2+]C[C@@H]2C(F)F)cc1 ZINC000377552640 329018823 /nfs/dbraw/zinc/01/88/23/329018823.db2.gz DDOJGWAALDABSW-LLVKDONJSA-N 1 1 269.295 0.877 20 10 CCCDMO CNC(=O)CC[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278926338 524069008 /nfs/dbraw/zinc/06/90/08/524069008.db2.gz VPYAOXIOSVUTBJ-UHFFFAOYSA-N 1 1 283.284 0.535 20 10 CCCDMO CNC(=O)[C@H]1C[N@H+](Cc2c(O)cccc2OC)CCO1 ZINC000781926748 581280671 /nfs/dbraw/zinc/28/06/71/581280671.db2.gz QDOBIBIGAZLHMM-CYBMUJFWSA-N 1 1 280.324 0.348 20 10 CCCDMO CNC(=O)[C@H]1C[N@@H+](Cc2c(O)cccc2OC)CCO1 ZINC000781926748 581280673 /nfs/dbraw/zinc/28/06/73/581280673.db2.gz QDOBIBIGAZLHMM-CYBMUJFWSA-N 1 1 280.324 0.348 20 10 CCCDMO Cc1ccc(O)c(C[NH+]2CCN(C(=O)CO)CC2)c1 ZINC000793594821 581304023 /nfs/dbraw/zinc/30/40/23/581304023.db2.gz RWAFSMOCSIIIOH-UHFFFAOYSA-N 1 1 264.325 0.337 20 10 CCCDMO C[C@@H]([NH2+]CC(=O)N1CCN(C)CC1)c1ccc(F)cc1O ZINC000756490171 581668691 /nfs/dbraw/zinc/66/86/91/581668691.db2.gz MBBAVQIQYZOYGK-LLVKDONJSA-N 1 1 295.358 0.956 20 10 CCCDMO CCOc1ccc(CN2CC[NH+](CCO)CC2)c(O)c1 ZINC000771928061 581834787 /nfs/dbraw/zinc/83/47/87/581834787.db2.gz MKQRQKFCCVTJGW-UHFFFAOYSA-N 1 1 280.368 0.901 20 10 CCCDMO COc1cc(C)cc(C[N@H+]2CC[C@@H](O)[C@H](CO)C2)c1O ZINC000895014699 617175547 /nfs/dbraw/zinc/17/55/47/617175547.db2.gz MBKKXWNEUCJBNU-QWHCGFSZSA-N 1 1 281.352 0.884 20 10 CCCDMO CCOc1cccc(C[N@H+]2CC[C@@H](O)[C@@H](O)C2)c1O ZINC000877749200 615516247 /nfs/dbraw/zinc/51/62/47/615516247.db2.gz QHCBRVYQZFLVQW-NEPJUHHUSA-N 1 1 267.325 0.718 20 10 CCCDMO CN(C)c1ccc(CNC(=O)C[N@@H+]2CC=C[C@H]2CO)cc1 ZINC000880486677 616014446 /nfs/dbraw/zinc/01/44/46/616014446.db2.gz DUVGGLFEJUSJTO-HNNXBMFYSA-N 1 1 289.379 0.602 20 10 CCCDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CC=C[C@H]2CO)cc1 ZINC000880486677 616014448 /nfs/dbraw/zinc/01/44/48/616014448.db2.gz DUVGGLFEJUSJTO-HNNXBMFYSA-N 1 1 289.379 0.602 20 10 CCCDMO C[NH+]1CCN(C(=O)CCNC(=O)C2=CC(=O)CS2)CC1 ZINC000827500823 616222264 /nfs/dbraw/zinc/22/22/64/616222264.db2.gz LCWUFUMFAZPFRL-UHFFFAOYSA-N 1 1 297.380 0.348 20 10 CCCDMO CN1CCN(c2ccc(C[NH2+][C@H]3CCNC3=O)cc2)CC1 ZINC000850342759 616247185 /nfs/dbraw/zinc/24/71/85/616247185.db2.gz JOFUOIGXWIIZBB-HNNXBMFYSA-N 1 1 288.395 0.417 20 10 CCCDMO C[C@@]1(CO)C[C@H](O)C[N@@H+]1Cc1cc(F)cc(F)c1O ZINC000895323731 632056246 /nfs/dbraw/zinc/05/62/46/632056246.db2.gz GTZSDCJVIVOTOO-GWCFXTLKSA-N 1 1 273.279 0.988 20 10 CCCDMO C[C@@]1(CO)C[C@H](O)C[N@H+]1Cc1cc(F)cc(F)c1O ZINC000895323731 632056252 /nfs/dbraw/zinc/05/62/52/632056252.db2.gz GTZSDCJVIVOTOO-GWCFXTLKSA-N 1 1 273.279 0.988 20 10 CCCDMO C[C@H](O)C(=O)N1CC[NH+](Cc2ccccc2O)CC1 ZINC000305744236 632536350 /nfs/dbraw/zinc/53/63/50/632536350.db2.gz LHFIEKAPYWRBOM-NSHDSACASA-N 1 1 264.325 0.417 20 10 CCCDMO Cc1ccc(O)c(CNC(=O)C2CN(C)CC[N@@H+](C)C2)c1 ZINC000913000916 636720989 /nfs/dbraw/zinc/72/09/89/636720989.db2.gz ZJZMCZUIIOETFQ-UHFFFAOYSA-N 1 1 291.395 0.810 20 10 CCCDMO Cc1cc(C[N@@H+](CCO)CCOCCO)ccc1N(C)C ZINC000839194894 640305919 /nfs/dbraw/zinc/30/59/19/640305919.db2.gz WMYXFKMWZRDISN-UHFFFAOYSA-N 1 1 296.411 0.864 20 10 CCCDMO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)Cc1ccc(N)cc1 ZINC000828876392 642128045 /nfs/dbraw/zinc/12/80/45/642128045.db2.gz DYRLBSSLCOBBPZ-ZDUSSCGKSA-N 1 1 290.411 0.563 20 10 CCCDMO [NH3+]CC(F)(F)CNCc1cc2c(cc1O)OCO2 ZINC000841059420 642801906 /nfs/dbraw/zinc/80/19/06/642801906.db2.gz CLZNDQVFVWDGBK-UHFFFAOYSA-N 1 1 260.240 0.805 20 10 CCCDMO C[C@H](C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)N(C)C ZINC000876505893 646614094 /nfs/dbraw/zinc/61/40/94/646614094.db2.gz CHSRPGQVNRQKLC-BXUZGUMPSA-N 1 1 278.400 0.819 20 10 CCCDMO Cc1cccc(O)c1C[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000876799217 646667929 /nfs/dbraw/zinc/66/79/29/646667929.db2.gz BAPJILOBWHOBFB-LLVKDONJSA-N 1 1 261.325 0.910 20 10 CCCDMO Cc1ccc(CN2CC([N@H+]3CC[C@@H](O)C3)C2)c(O)c1 ZINC000877605923 646828740 /nfs/dbraw/zinc/82/87/40/646828740.db2.gz XSBYWMNZQIXNKT-CQSZACIVSA-N 1 1 262.353 0.951 20 10 CCCDMO Cc1ccc(C[NH+]2CC(N3CC[C@@H](O)C3)C2)c(O)c1 ZINC000877605923 646828742 /nfs/dbraw/zinc/82/87/42/646828742.db2.gz XSBYWMNZQIXNKT-CQSZACIVSA-N 1 1 262.353 0.951 20 10 CCCDMO C[C@H]([NH2+]C[C@@H](O)Cn1ccnn1)c1c(O)cccc1F ZINC000886625520 647992874 /nfs/dbraw/zinc/99/28/74/647992874.db2.gz TYINDCTYWOBBLR-VHSXEESVSA-N 1 1 280.303 0.835 20 10 CCCDMO OC[C@H](O)C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000929969759 648808083 /nfs/dbraw/zinc/80/80/83/648808083.db2.gz DADYPCWETODBGW-ZIAGYGMSSA-N 1 1 281.352 0.726 20 10 CCCDMO COc1cc(N(C)C)ccc1C[NH+]1CC(C(N)=O)C1 ZINC001231853891 805862284 /nfs/dbraw/zinc/86/22/84/805862284.db2.gz TZFGEDFNWLWJJR-UHFFFAOYSA-N 1 1 263.341 0.678 20 10 CCCDMO CCNC(=O)C[N@H+](C)Cc1cc(O)c(O)cc1O ZINC001233482526 806060081 /nfs/dbraw/zinc/06/00/81/806060081.db2.gz RASPGTFFMFDXDI-UHFFFAOYSA-N 1 1 254.286 0.371 20 10 CCCDMO CCNC(=O)C[N@@H+](C)Cc1cc(O)c(O)cc1O ZINC001233482526 806060089 /nfs/dbraw/zinc/06/00/89/806060089.db2.gz RASPGTFFMFDXDI-UHFFFAOYSA-N 1 1 254.286 0.371 20 10 CCCDMO CN1CC2(C1)CC[N@@H+](Cc1cc(O)c(O)cc1O)C2 ZINC001233487103 806063964 /nfs/dbraw/zinc/06/39/64/806063964.db2.gz PNUJTINBGQLSDO-UHFFFAOYSA-N 1 1 264.325 0.941 20 10 CCCDMO C[NH+]1CC2(C1)CCN(Cc1cc(O)c(O)cc1O)C2 ZINC001233487103 806063974 /nfs/dbraw/zinc/06/39/74/806063974.db2.gz PNUJTINBGQLSDO-UHFFFAOYSA-N 1 1 264.325 0.941 20 10 CCCDMO COc1cc(O)c(C[N@H+]2CC[C@@H](O)[C@@H](CO)C2)cc1OC ZINC001236748987 806607553 /nfs/dbraw/zinc/60/75/53/806607553.db2.gz DFGIBISGDVULEU-VXGBXAGGSA-N 1 1 297.351 0.585 20 10 CCCDMO COc1cc(O)c(C[N@H+]2CC[C@H](O)[C@H](CO)C2)cc1OC ZINC001236748985 806607570 /nfs/dbraw/zinc/60/75/70/806607570.db2.gz DFGIBISGDVULEU-RYUDHWBXSA-N 1 1 297.351 0.585 20 10 CCCDMO CCOc1ccc(C[N@@H+](C)C[C@@H](O)CO)c(O)c1 ZINC001237040208 806632974 /nfs/dbraw/zinc/63/29/74/806632974.db2.gz GAWVLFLISCWLEE-LLVKDONJSA-N 1 1 255.314 0.576 20 10 CCCDMO OC[C@@H]1C[N@H+](Cc2c(O)cccc2F)CC[C@@H]1O ZINC001137832883 799689818 /nfs/dbraw/zinc/68/98/18/799689818.db2.gz LAULHVVPZMJIFE-CABZTGNLSA-N 1 1 255.289 0.706 20 10 CCCDMO OC[C@@H]1C[N@@H+](Cc2c(O)cccc2F)CC[C@@H]1O ZINC001137832883 799689824 /nfs/dbraw/zinc/68/98/24/799689824.db2.gz LAULHVVPZMJIFE-CABZTGNLSA-N 1 1 255.289 0.706 20 10 CCCDMO COc1cc(CN(C)C[C@@H](O)CO)cc(C[NH+](C)C)c1O ZINC001139255190 799800506 /nfs/dbraw/zinc/80/05/06/799800506.db2.gz NPYNMBWREGSPJS-CYBMUJFWSA-N 1 1 298.383 0.247 20 10 CCCDMO Cc1ccc(C)c(C[N@@H+]2C[C@H](CO)[C@H](O)C2)c1O ZINC001140178390 799886870 /nfs/dbraw/zinc/88/68/70/799886870.db2.gz KKVLEPFOODIIGV-DGCLKSJQSA-N 1 1 251.326 0.794 20 10 CCCDMO Cc1c(O)ccc(C[N@H+]2CCOC[C@@H](O)C2)c1O ZINC001140744404 799937297 /nfs/dbraw/zinc/93/72/97/799937297.db2.gz WLJXFMAOZSJRDS-NSHDSACASA-N 1 1 253.298 0.599 20 10 CCCDMO Cc1c(O)ccc(C[N@H+]2CC[C@@H](O)[C@@H](CO)C2)c1O ZINC001140744487 799938383 /nfs/dbraw/zinc/93/83/83/799938383.db2.gz ZBCKTWBYQTYWJO-DGCLKSJQSA-N 1 1 267.325 0.581 20 10 CCCDMO Cc1c(O)ccc(C[N@H+]2CC[C@@](C)(CO)[C@@H](O)C2)c1O ZINC001140743973 799938552 /nfs/dbraw/zinc/93/85/52/799938552.db2.gz GWPJSUWSWKLRHN-ZFWWWQNUSA-N 1 1 281.352 0.971 20 10 CCCDMO C[C@]1(CO)C[N@@H+](Cc2cc(O)ccc2O)CC[C@@H]1O ZINC001141155895 799985588 /nfs/dbraw/zinc/98/55/88/799985588.db2.gz AFOIXXRTTRKKDF-UONOGXRCSA-N 1 1 267.325 0.663 20 10 CCCDMO O=C(CNc1ncc2c(n1)C[NH2+]C2)c1ccc(O)c(O)c1 ZINC001159276183 801783413 /nfs/dbraw/zinc/78/34/13/801783413.db2.gz FXTPZFHBLKKDRB-UHFFFAOYSA-N 1 1 286.291 0.786 20 10 CCCDMO COc1cccc(C[NH+]2CCN(CCCO)CC2)c1O ZINC001203589511 803036021 /nfs/dbraw/zinc/03/60/21/803036021.db2.gz JXHKKNHGOKCPLU-UHFFFAOYSA-N 1 1 280.368 0.901 20 10 CCCDMO CCOc1cccc(C[N@H+]2CC[C@@H](CO)[C@H](O)C2)c1O ZINC001203602233 803036701 /nfs/dbraw/zinc/03/67/01/803036701.db2.gz KIVKWXCCMVUACK-QWHCGFSZSA-N 1 1 281.352 0.966 20 10 CCCDMO OC[C@H]1CC[N@@H+](Cc2ccc(O)c(O)c2)C[C@H]1O ZINC001203875540 803048915 /nfs/dbraw/zinc/04/89/15/803048915.db2.gz PKKFJLPHYJEDIO-ZWNOBZJWSA-N 1 1 253.298 0.273 20 10 CCCDMO C[C@@]1(CO)C[N@@H+](Cc2ccc(O)cc2O)CC[C@@H]1O ZINC001204276807 803077092 /nfs/dbraw/zinc/07/70/92/803077092.db2.gz RZKKZUMZWIARMF-KBPBESRZSA-N 1 1 267.325 0.663 20 10 CCCDMO OCc1cn(CCC[NH2+]Cc2cc(F)c(F)cc2O)nn1 ZINC001206063283 803201376 /nfs/dbraw/zinc/20/13/76/803201376.db2.gz MJMROOIVPBTBDJ-UHFFFAOYSA-N 1 1 298.293 0.934 20 10 CCCDMO Cc1cc(C)c(C[N@@H+]2CC[C@@H](O)[C@H](N)C2)c(O)c1 ZINC001206097306 803206493 /nfs/dbraw/zinc/20/64/93/803206493.db2.gz MGJBGJMHSYLNOE-CHWSQXEVSA-N 1 1 250.342 0.903 20 10 CCCDMO Cc1cc(C)c(C[N@H+]2CC[C@@H](O)[C@H](N)C2)c(O)c1 ZINC001206097306 803206497 /nfs/dbraw/zinc/20/64/97/803206497.db2.gz MGJBGJMHSYLNOE-CHWSQXEVSA-N 1 1 250.342 0.903 20 10 CCCDMO COc1cccc(CN2C[C@@H](O)[C@@H](C[NH3+])C2)c1O ZINC001206464859 803246978 /nfs/dbraw/zinc/24/69/78/803246978.db2.gz UUIYHTOIYZUMKP-WDEREUQCSA-N 1 1 252.314 0.152 20 10 CCCDMO CCOc1ccc(CN2C[C@@H](O)[C@@H](C[NH3+])C2)c(O)c1 ZINC001206480566 803250614 /nfs/dbraw/zinc/25/06/14/803250614.db2.gz CBJGXDJHMUGOQQ-SMDDNHRTSA-N 1 1 266.341 0.542 20 10 CCCDMO Cc1cc(C)c(CNC(=O)[C@H]([NH3+])Cc2c[nH]cn2)c(O)c1 ZINC001220825423 804674105 /nfs/dbraw/zinc/67/41/05/804674105.db2.gz GYTSMWFEHRKJOH-CYBMUJFWSA-N 1 1 288.351 0.918 20 10 CCCDMO COC(=O)Cc1ccc(C[N@H+](C)C2COC2)c(O)c1 ZINC001249201393 807547017 /nfs/dbraw/zinc/54/70/17/807547017.db2.gz RCYUTCCQWXTRTJ-UHFFFAOYSA-N 1 1 265.309 0.938 20 10 CCCDMO COC(=O)Cc1ccc(C[N@@H+](C)C2COC2)c(O)c1 ZINC001249201393 807547024 /nfs/dbraw/zinc/54/70/24/807547024.db2.gz RCYUTCCQWXTRTJ-UHFFFAOYSA-N 1 1 265.309 0.938 20 10 CCCDMO OC[C@@H](O)C[N@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001252062469 807787088 /nfs/dbraw/zinc/78/70/88/807787088.db2.gz MOBMVFAZLGXLQK-NSHDSACASA-N 1 1 253.298 0.199 20 10 CCCDMO CN(C)c1ccc(C[N@@H+]2CCN(C)C(=O)C2)c(O)c1 ZINC001232835157 816225329 /nfs/dbraw/zinc/22/53/29/816225329.db2.gz XULYEFMMQHTWRF-UHFFFAOYSA-N 1 1 263.341 0.732 20 10 CCCDMO CN(C)c1ccc(C[N@H+]2CCN(C)C(=O)C2)c(O)c1 ZINC001232835157 816225337 /nfs/dbraw/zinc/22/53/37/816225337.db2.gz XULYEFMMQHTWRF-UHFFFAOYSA-N 1 1 263.341 0.732 20 10 CCCDMO COC(=O)[C@H]1C[N@H+](Cc2cccc(C)c2O)C[C@H]1N ZINC001236351211 817281384 /nfs/dbraw/zinc/28/13/84/817281384.db2.gz KKRVDDIEMYUDHW-NWDGAFQWSA-N 1 1 264.325 0.633 20 10 CCCDMO COC(=O)[C@H]1C[N@@H+](Cc2cccc(C)c2O)C[C@H]1N ZINC001236351211 817281391 /nfs/dbraw/zinc/28/13/91/817281391.db2.gz KKRVDDIEMYUDHW-NWDGAFQWSA-N 1 1 264.325 0.633 20 10 CCCDMO CN1C(=O)COCC12C[NH+](Cc1ccc(O)cc1O)C2 ZINC001272987657 818257728 /nfs/dbraw/zinc/25/77/28/818257728.db2.gz GTAZXYMZNBHJSS-UHFFFAOYSA-N 1 1 278.308 0.141 20 10 CCCDMO COc1cccc(C[N@H+]2CC[C@H](O)[C@H](CO)C2)c1O ZINC001203585579 844221839 /nfs/dbraw/zinc/22/18/39/844221839.db2.gz PLIXZZFEKQPUEE-RYUDHWBXSA-N 1 1 267.325 0.576 20 10 CCCDMO COc1ccc(C[N@H+]2CC[C@](C)(CO)[C@H](O)C2)c(O)c1 ZINC001203620986 844437920 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CN1CC[C@]2(CC[N@@H+](Cc3cc(O)c(O)cc3O)C2)C1=O ZINC001273843687 847655328 /nfs/dbraw/zinc/65/53/28/847655328.db2.gz UIYDQSBEBFBGRS-OAHLLOKOSA-N 1 1 292.335 0.858 20 10 CCCDMO CN1C[C@@]2(CC[N@@H+](Cc3ccc(O)c(O)c3)C2)OCC1=O ZINC001272903064 898146995 /nfs/dbraw/zinc/14/69/95/898146995.db2.gz LEZSXLIMNCLDDH-OAHLLOKOSA-N 1 1 292.335 0.531 20 10 CCCDMO Cc1cc(C)c(O)c(C[N@@H+](C)CCNS(C)(=O)=O)c1 ZINC001319468341 910165632 /nfs/dbraw/zinc/16/56/32/910165632.db2.gz VNTHACVTSWWZIX-UHFFFAOYSA-N 1 1 286.397 0.990 20 10 CCCDMO Nc1ccc(C[N@H+]2CCC[C@H](CS(N)(=O)=O)C2)cc1 ZINC001335285582 920091935 /nfs/dbraw/zinc/09/19/35/920091935.db2.gz QCDNGSZWZPUKTR-LBPRGKRZSA-N 1 1 283.397 0.769 20 10 CCCDMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCc1cccc(O)c1O ZINC001349079853 924880618 /nfs/dbraw/zinc/88/06/18/924880618.db2.gz UHZXILJWYPVOMB-PWSUYJOCSA-N 1 1 291.351 0.102 20 10 CCCDMO CN1CC[N@@H+](C)CC(C(=O)NCc2cccc(O)c2O)C1 ZINC001349080083 924881392 /nfs/dbraw/zinc/88/13/92/924881392.db2.gz 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ZINC000182455353 389709002 /nfs/dbraw/zinc/70/90/02/389709002.db2.gz GOXGTBBKIXJXDL-ZDUSSCGKSA-N 1 1 280.324 0.348 20 10 CCCDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCc1ccccc1O ZINC000264735309 523886967 /nfs/dbraw/zinc/88/69/67/523886967.db2.gz HQGFOOULCFGHAK-ZDUSSCGKSA-N 1 1 292.383 0.437 20 10 CCCDMO OC[C@@]12C[C@@H]1C[N@@H+](Cc1cc3c(cc1O)OCO3)C2 ZINC000783739568 581358192 /nfs/dbraw/zinc/35/81/92/581358192.db2.gz GBMSJENVKCMWQF-YGRLFVJLSA-N 1 1 263.293 0.935 20 10 CCCDMO CCOc1ccc(C[N@@H+]2C[C@H](O)C[C@H](O)C2)c(O)c1 ZINC000769564946 581696134 /nfs/dbraw/zinc/69/61/34/581696134.db2.gz QPIIRRXANCFHNJ-TXEJJXNPSA-N 1 1 267.325 0.718 20 10 CCCDMO C[C@@H](NC(=O)NCc1ccccc1O)[C@H]1C[N@H+](C)CCO1 ZINC000770107411 581730730 /nfs/dbraw/zinc/73/07/30/581730730.db2.gz KGIOTLFKCKFLQL-BXUZGUMPSA-N 1 1 293.367 0.911 20 10 CCCDMO C[C@@H](NC(=O)NCc1ccccc1O)[C@H]1C[N@@H+](C)CCO1 ZINC000770107411 581730732 /nfs/dbraw/zinc/73/07/32/581730732.db2.gz KGIOTLFKCKFLQL-BXUZGUMPSA-N 1 1 293.367 0.911 20 10 CCCDMO NS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000770510062 581749252 /nfs/dbraw/zinc/74/92/52/581749252.db2.gz IGNKCOKTTRIHMU-LLVKDONJSA-N 1 1 284.381 0.893 20 10 CCCDMO COc1c(O)c(C[NH2+][C@@H](C)CC(N)=O)ccc1[N+](=O)[O-] ZINC000775038549 582009721 /nfs/dbraw/zinc/00/97/21/582009721.db2.gz VFNPDECWUTYASJ-ZETCQYMHSA-N 1 1 283.284 0.663 20 10 CCCDMO COc1cc(Cl)cc(C[N@H+]2C[C@H](O)[C@@H](CO)C2)c1O ZINC000839166801 617196330 /nfs/dbraw/zinc/19/63/30/617196330.db2.gz UEOIUYUECDYQIJ-KOLCDFICSA-N 1 1 287.743 0.839 20 10 CCCDMO COc1cc(O)c(C[N@H+]2C[C@H]3C[C@@]3(O)C2)cc1OC ZINC000895653856 617207852 /nfs/dbraw/zinc/20/78/52/617207852.db2.gz OFCVSDRLHGERBR-QMTHXVAHSA-N 1 1 265.309 0.976 20 10 CCCDMO COc1ccc(C[N@@H+](C)[C@@]2(CO)CCOC2)c(O)c1OC ZINC000895539274 617248494 /nfs/dbraw/zinc/24/84/94/617248494.db2.gz WLQDRRITMVWNKR-OAHLLOKOSA-N 1 1 297.351 0.993 20 10 CCCDMO CCOc1cccc(C[N@@H+]2C[C@H](O)C[C@H]2C(N)=O)c1O ZINC000895368966 615516243 /nfs/dbraw/zinc/51/62/43/615516243.db2.gz 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C[C@@H](NC(=O)c1cccc(O)c1O)[C@H]1C[N@@H+](C)CCN1C ZINC000896550022 632280592 /nfs/dbraw/zinc/28/05/92/632280592.db2.gz WRQMYOUIAOMBMA-ZYHUDNBSSA-N 1 1 293.367 0.462 20 10 CCCDMO Cc1ccc(C[N@H+]2CCN3C(=O)NC[C@H]3C2)c(O)c1 ZINC000876800115 646667558 /nfs/dbraw/zinc/66/75/58/646667558.db2.gz ODWULDHQWHCMOH-LBPRGKRZSA-N 1 1 261.325 0.910 20 10 CCCDMO Cc1cc(C[N@H+](C)CCS(N)(=O)=O)ccc1N(C)C ZINC000880085470 647153278 /nfs/dbraw/zinc/15/32/78/647153278.db2.gz ORMFRCQBANONOP-UHFFFAOYSA-N 1 1 285.413 0.781 20 10 CCCDMO Cc1cc(C[N@@H+](C)CCS(N)(=O)=O)ccc1N(C)C ZINC000880085470 647153280 /nfs/dbraw/zinc/15/32/80/647153280.db2.gz ORMFRCQBANONOP-UHFFFAOYSA-N 1 1 285.413 0.781 20 10 CCCDMO C[C@H]([NH2+]C[C@H](O)Cn1ccnn1)c1c(O)cccc1F ZINC000886625519 647992352 /nfs/dbraw/zinc/99/23/52/647992352.db2.gz TYINDCTYWOBBLR-UWVGGRQHSA-N 1 1 280.303 0.835 20 10 CCCDMO NC(=O)C1=NO[C@@H]2C[N@H+](Cc3cc(Cl)ccc3O)C[C@H]12 ZINC001277456837 805604265 /nfs/dbraw/zinc/60/42/65/805604265.db2.gz DAEPXXUAMBEBHR-GXSJLCMTSA-N 1 1 295.726 0.718 20 10 CCCDMO NC(=O)C1=NO[C@@H]2C[N@@H+](Cc3cc(Cl)ccc3O)C[C@H]12 ZINC001277456837 805604272 /nfs/dbraw/zinc/60/42/72/805604272.db2.gz DAEPXXUAMBEBHR-GXSJLCMTSA-N 1 1 295.726 0.718 20 10 CCCDMO OC[C@@H]1CC[N@@H+](Cc2cc(F)ccc2O)C[C@@H]1O ZINC001140057686 790663451 /nfs/dbraw/zinc/66/34/51/790663451.db2.gz KBNWGCXMTXCYTL-ZANVPECISA-N 1 1 255.289 0.706 20 10 CCCDMO COc1cc(C[NH+]2CC(N3CCOCC3)C2)c(O)cc1O ZINC001231636633 805825086 /nfs/dbraw/zinc/82/50/86/805825086.db2.gz YUJNQWZDPMCZGL-UHFFFAOYSA-N 1 1 294.351 0.623 20 10 CCCDMO COc1cc(C[N@H+]2CC[C@H]3CNC(=O)[C@H]3C2)c(O)cc1O ZINC001231637651 805825461 /nfs/dbraw/zinc/82/54/61/805825461.db2.gz PLPHVEUNUDWQKJ-ONGXEEELSA-N 1 1 292.335 0.674 20 10 CCCDMO CN(C)c1ccc(C[N@H+]2CC[C@@H](C(N)=O)C2)c(O)c1 ZINC001232838851 805986482 /nfs/dbraw/zinc/98/64/82/805986482.db2.gz JUHRUNIDMTUMDB-LLVKDONJSA-N 1 1 263.341 0.765 20 10 CCCDMO COC(=O)[C@@H]1C[N@H+](C)CCN1Cc1cc(O)c(O)c(O)c1 ZINC001233016277 806008385 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Cc1cccc(CN2CCN[C@]3(CC[NH2+]C3)C2)c1O ZINC001235059034 806360594 /nfs/dbraw/zinc/36/05/94/806360594.db2.gz CSYCHDYAWDQAJC-HNNXBMFYSA-N 1 1 261.369 0.838 20 10 CCCDMO COc1cc(C)c(C[N@H+]2CC[C@@H](CO)[C@H](O)C2)c(O)c1 ZINC001236808596 806612163 /nfs/dbraw/zinc/61/21/63/806612163.db2.gz QQWCTVHFWOUYTA-XHDPSFHLSA-N 1 1 281.352 0.884 20 10 CCCDMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1Cc2cccc(O)c2C1 ZINC001123947587 799513533 /nfs/dbraw/zinc/51/35/33/799513533.db2.gz UONCCYJOLIYUGB-BXUZGUMPSA-N 1 1 287.363 0.623 20 10 CCCDMO OC[C@H]1C[N@H+](Cc2cc(F)c(F)cc2O)CC[C@@H]1O ZINC001142508660 800126019 /nfs/dbraw/zinc/12/60/19/800126019.db2.gz GWBGDWAYISNMHB-SKDRFNHKSA-N 1 1 273.279 0.846 20 10 CCCDMO OC[C@H]1C[N@@H+](Cc2cc(F)c(F)cc2O)CC[C@@H]1O ZINC001142508660 800126026 /nfs/dbraw/zinc/12/60/26/800126026.db2.gz GWBGDWAYISNMHB-SKDRFNHKSA-N 1 1 273.279 0.846 20 10 CCCDMO COC(=O)[C@@H]([NH3+])CCC(=O)N1CCc2cccc(O)c2C1 ZINC001160873009 802037239 /nfs/dbraw/zinc/03/72/39/802037239.db2.gz 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837301074 /nfs/dbraw/zinc/30/10/74/837301074.db2.gz IXHYRQOJKNHIDM-UHFFFAOYSA-N 1 1 286.291 0.786 20 10 CCCDMO CCOc1cccc(C[N@H+]2CC[C@H](O)[C@H](CO)C2)c1O ZINC001203602432 844312595 /nfs/dbraw/zinc/31/25/95/844312595.db2.gz WORDFQOQKPJAQG-STQMWFEESA-N 1 1 281.352 0.966 20 10 CCCDMO C[N@H+]1CCCN(C(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001135306797 839202389 /nfs/dbraw/zinc/20/23/89/839202389.db2.gz ZVAPLCZKYBKFJM-UHFFFAOYSA-N 1 1 264.325 0.804 20 10 CCCDMO COc1ccc(C[N@H+]2CC[C@@H](O)[C@H](CO)C2)c(O)c1 ZINC001203620451 844435710 /nfs/dbraw/zinc/43/57/10/844435710.db2.gz FXSYQTRYXIMYHQ-WCQYABFASA-N 1 1 267.325 0.576 20 10 CCCDMO OCC(CO)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715746378 841395532 /nfs/dbraw/zinc/39/55/32/841395532.db2.gz UWJMLXRZMSAIKW-UHFFFAOYSA-N 1 1 294.120 0.737 20 10 CCCDMO Cc1cc(Br)c(O)c(C[NH2+]C[C@@H](O)CO)c1 ZINC000393829998 854134442 /nfs/dbraw/zinc/13/44/42/854134442.db2.gz UVUPWLSYXUPHBM-SECBINFHSA-N 1 1 290.157 0.906 20 10 CCCDMO Nc1ccc(C[NH+]2CCN(c3nccnn3)CC2)cc1 ZINC001337837735 921297446 /nfs/dbraw/zinc/29/74/46/921297446.db2.gz DHCCWEYWZRAQEW-UHFFFAOYSA-N 1 1 270.340 0.776 20 10 CCCDMO CNS(=O)(=O)CC[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000187198439 351533517 /nfs/dbraw/zinc/53/35/17/351533517.db2.gz GYZPZVDAPWYMBZ-QMMMGPOBSA-N 1 1 276.333 0.731 20 10 CCCDMO COc1cccc(C[N@H+]2C[C@@H](O)C[C@H]2CO)c1O ZINC000187668360 351551037 /nfs/dbraw/zinc/55/10/37/351551037.db2.gz YFVJMFFRLRQWLZ-QWRGUYRKSA-N 1 1 253.298 0.328 20 10 CCCDMO COC(=O)[C@H]1[C@@H](O)CCC[N@@H+]1Cc1ccccc1O ZINC000188788631 351629067 /nfs/dbraw/zinc/62/90/67/351629067.db2.gz SCKLWGYCABQREK-QWHCGFSZSA-N 1 1 265.309 0.891 20 10 CCCDMO COC(=O)[C@H]1[C@@H](O)CCC[N@H+]1Cc1ccccc1O ZINC000188788631 351629071 /nfs/dbraw/zinc/62/90/71/351629071.db2.gz SCKLWGYCABQREK-QWHCGFSZSA-N 1 1 265.309 0.891 20 10 CCCDMO C[N@@H+](Cc1cc2c(cc1O)OCO2)CC(C)(CO)CO ZINC000271206144 353032673 /nfs/dbraw/zinc/03/26/73/353032673.db2.gz WFOIWEHDZSIUFK-UHFFFAOYSA-N 1 1 283.324 0.544 20 10 CCCDMO O=C1C[C@@]2(CC[N@H+](Cc3cc4c(cc3O)OCO4)C2)CN1 ZINC000278611287 353303010 /nfs/dbraw/zinc/30/30/10/353303010.db2.gz DLAQGHWCIBOXDO-HNNXBMFYSA-N 1 1 290.319 0.833 20 10 CCCDMO CCS(=O)(=O)NCC[N@@H+](C)Cc1ccccc1O ZINC000109773793 389099770 /nfs/dbraw/zinc/09/97/70/389099770.db2.gz AVRLGJAJMBFOOD-UHFFFAOYSA-N 1 1 272.370 0.763 20 10 CCCDMO CN(C)c1ccc(C[N@H+]2C[C@H](O)C[C@H]2CO)cc1 ZINC000248647642 389248497 /nfs/dbraw/zinc/24/84/97/389248497.db2.gz TUFSDZYSVGJLCV-UONOGXRCSA-N 1 1 250.342 0.680 20 10 CCCDMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2cccc(O)c2O)[C@H](C)C1 ZINC000281596848 389620783 /nfs/dbraw/zinc/62/07/83/389620783.db2.gz NPOJTTJSVRLBQB-MNOVXSKESA-N 1 1 294.351 0.625 20 10 CCCDMO C[C@H](O)C[N@H+]1CCN(C(=O)c2cccc(O)c2O)[C@H](C)C1 ZINC000281596848 389620788 /nfs/dbraw/zinc/62/07/88/389620788.db2.gz NPOJTTJSVRLBQB-MNOVXSKESA-N 1 1 294.351 0.625 20 10 CCCDMO COCCNCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000228737299 329347683 /nfs/dbraw/zinc/34/76/83/329347683.db2.gz GPCVSOCNIYLGTA-UHFFFAOYSA-N 1 1 250.342 0.947 20 10 CCCDMO COc1c(O)c(C[NH2+]C[C@]2(O)CCOC2)ccc1[N+](=O)[O-] ZINC000278527098 521880228 /nfs/dbraw/zinc/88/02/28/521880228.db2.gz UFFKGRVJQHVONC-CYBMUJFWSA-N 1 1 298.295 0.550 20 10 CCCDMO COc1cccc(C[N@@H+](C)CC(C)(CO)CO)c1O ZINC000093502789 525912877 /nfs/dbraw/zinc/91/28/77/525912877.db2.gz WBANLXCPDGEZSL-UHFFFAOYSA-N 1 1 269.341 0.824 20 10 CCCDMO COc1cccc(C[N@H+]2CCN3CCOC[C@@H]3C2)c1O ZINC000368813203 525948544 /nfs/dbraw/zinc/94/85/44/525948544.db2.gz DIAJYURIOYDGHO-ZDUSSCGKSA-N 1 1 278.352 0.917 20 10 CCCDMO C[C@H](NC(=O)NCc1ccccc1O)[C@H]1C[N@H+](C)CCO1 ZINC000770107414 581730477 /nfs/dbraw/zinc/73/04/77/581730477.db2.gz KGIOTLFKCKFLQL-SMDDNHRTSA-N 1 1 293.367 0.911 20 10 CCCDMO C[C@H](NC(=O)NCc1ccccc1O)[C@H]1C[N@@H+](C)CCO1 ZINC000770107414 581730481 /nfs/dbraw/zinc/73/04/81/581730481.db2.gz KGIOTLFKCKFLQL-SMDDNHRTSA-N 1 1 293.367 0.911 20 10 CCCDMO COCC[N@@H+]1CC[C@H](NC(=O)C2=CC(=O)CS2)C1 ZINC000732290135 581818045 /nfs/dbraw/zinc/81/80/45/581818045.db2.gz QBIHBOACNPTDLE-VIFPVBQESA-N 1 1 270.354 0.904 20 10 CCCDMO COCC[N@H+]1CC[C@H](NC(=O)C2=CC(=O)CS2)C1 ZINC000732290135 581818049 /nfs/dbraw/zinc/81/80/49/581818049.db2.gz QBIHBOACNPTDLE-VIFPVBQESA-N 1 1 270.354 0.904 20 10 CCCDMO COC(=O)[C@H]1CC[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768443584 582106677 /nfs/dbraw/zinc/10/66/77/582106677.db2.gz SXESTAHFVRSQKT-TVQRCGJNSA-N 1 1 293.319 0.813 20 10 CCCDMO COc1cc(C)cc(C[N@H+](C)CCS(N)(=O)=O)c1O ZINC000872823691 617175214 /nfs/dbraw/zinc/17/52/14/617175214.db2.gz YEITXHBWPLWZJY-UHFFFAOYSA-N 1 1 288.369 0.430 20 10 CCCDMO COc1cc(C)cc(C[N@@H+](C)CCS(N)(=O)=O)c1O ZINC000872823691 617175216 /nfs/dbraw/zinc/17/52/16/617175216.db2.gz YEITXHBWPLWZJY-UHFFFAOYSA-N 1 1 288.369 0.430 20 10 CCCDMO COc1ccc(N(C)CC[N@@H+](C)[C@@H]2CCNC2=O)cc1 ZINC000844401805 617267157 /nfs/dbraw/zinc/26/71/57/617267157.db2.gz RDZFMGPGIIQQPW-CQSZACIVSA-N 1 1 277.368 0.952 20 10 CCCDMO CCc1cccc(C[N@H+]2C[C@H](O)C[C@H]2C(N)=O)c1O ZINC000864051963 615682785 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ZINC000846052687 616813991 /nfs/dbraw/zinc/81/39/91/616813991.db2.gz IDBISCZVTPMGOE-GHMZBOCLSA-N 1 1 281.308 0.703 20 10 CCCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CNCCO2)c1 ZINC000817981974 616918569 /nfs/dbraw/zinc/91/85/69/616918569.db2.gz AKPPKWYACMJAPP-JQWIXIFHSA-N 1 1 294.351 0.818 20 10 CCCDMO OC[C@H]1CC[N@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000902631433 634419826 /nfs/dbraw/zinc/41/98/26/634419826.db2.gz HVGZEPNQVAOGRC-BXKDBHETSA-N 1 1 251.282 0.385 20 10 CCCDMO C[N@@H+](CCCS(N)(=O)=O)Cc1ccccc1O ZINC000171937088 637151914 /nfs/dbraw/zinc/15/19/14/637151914.db2.gz QZFKAZLFTKYXRB-UHFFFAOYSA-N 1 1 258.343 0.503 20 10 CCCDMO Cc1cccc(C[NH+]2CC(OCC(=O)N(C)C)C2)c1O ZINC000839138281 640302536 /nfs/dbraw/zinc/30/25/36/640302536.db2.gz OTOHUCDOJLKYQW-UHFFFAOYSA-N 1 1 278.352 0.990 20 10 CCCDMO Cc1cc(C[N@H+]2C[C@H](O)C[C@H]2CO)ccc1N(C)C ZINC000815078908 641089689 /nfs/dbraw/zinc/08/96/89/641089689.db2.gz JKGNZXYTEAOAOL-UONOGXRCSA-N 1 1 264.369 0.989 20 10 CCCDMO C[C@@H](C(=O)NCCc1ccc(N)cc1)N1CC[NH+](C)CC1 ZINC000843342571 643036210 /nfs/dbraw/zinc/03/62/10/643036210.db2.gz NRMPQARWDPTFGC-ZDUSSCGKSA-N 1 1 290.411 0.563 20 10 CCCDMO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)C1=CC(=O)CS1 ZINC000854352412 644191471 /nfs/dbraw/zinc/19/14/71/644191471.db2.gz CABNVSOGCCIOFU-JTQLQIEISA-N 1 1 281.381 0.573 20 10 CCCDMO O=C(NC[C@H]1C[N@H+]2CCN1CCC2)C1=CC(=O)CS1 ZINC000854352412 644191472 /nfs/dbraw/zinc/19/14/72/644191472.db2.gz CABNVSOGCCIOFU-JTQLQIEISA-N 1 1 281.381 0.573 20 10 CCCDMO Oc1cc2c(cc1C[N@H+]1C[C@@H]3COC[C@@H]3C1)[C@@H](O)CO2 ZINC000872785710 646324416 /nfs/dbraw/zinc/32/44/16/646324416.db2.gz HRMFRAHDRVBSSU-WDMOLILDSA-N 1 1 277.320 0.896 20 10 CCCDMO Cc1cccc(O)c1C[N@H+]1CCO[C@@H](C(N)=O)C1 ZINC000876657758 646639404 /nfs/dbraw/zinc/63/94/04/646639404.db2.gz JQPZERPRTCEIQG-GFCCVEGCSA-N 1 1 250.298 0.387 20 10 CCCDMO Cc1ccc(C[N@H+]2CC[C@H](S(N)(=O)=O)C2)c(O)c1 ZINC000877464048 646817643 /nfs/dbraw/zinc/81/76/43/646817643.db2.gz IZLQACAYYOTLEU-NSHDSACASA-N 1 1 270.354 0.563 20 10 CCCDMO Cc1ccc(O)c(C[N@H+]2C[C@H](CO)[C@H](CO)C2)c1 ZINC000877764475 646839670 /nfs/dbraw/zinc/83/96/70/646839670.db2.gz FRFGZCYFLWRCRF-BETUJISGSA-N 1 1 251.326 0.733 20 10 CCCDMO Cc1cccc(C[N@H+]2C[C@H](CO)[C@H](CO)C2)c1O ZINC000877765093 646840954 /nfs/dbraw/zinc/84/09/54/646840954.db2.gz TVZIVKGQVMRGJT-BETUJISGSA-N 1 1 251.326 0.733 20 10 CCCDMO C[C@@H]([NH2+]C[C@H](O)CS(C)(=O)=O)c1c(O)cccc1F ZINC000927030682 648540531 /nfs/dbraw/zinc/54/05/31/648540531.db2.gz XZSWEHAOWLIUBJ-BDAKNGLRSA-N 1 1 291.344 0.587 20 10 CCCDMO c1nc(CC[NH2+]Cc2ccc(N3CCOCC3)cc2)n[nH]1 ZINC000080602865 649556953 /nfs/dbraw/zinc/55/69/53/649556953.db2.gz LSLTWYHKUMTHML-UHFFFAOYSA-N 1 1 287.367 0.974 20 10 CCCDMO C[N@H+](Cc1ccccc1O)C[C@H](O)CN1CCOCC1 ZINC000305175220 649842328 /nfs/dbraw/zinc/84/23/28/649842328.db2.gz AOUMUCLVBYDSTH-AWEZNQCLSA-N 1 1 280.368 0.517 20 10 CCCDMO COc1cc(C[N@H+]2CC[C@H](O)[C@](C)(CO)C2)c(O)cc1O ZINC001231634465 805823580 /nfs/dbraw/zinc/82/35/80/805823580.db2.gz NKMKLOKGKOHREI-GJZGRUSLSA-N 1 1 297.351 0.672 20 10 CCCDMO Cc1cccc(C[NH+]2CC(N3CCNC(=O)C3)C2)c1O ZINC001231592109 805820349 /nfs/dbraw/zinc/82/03/49/805820349.db2.gz BSGCJGWGMNSLSJ-UHFFFAOYSA-N 1 1 275.352 0.317 20 10 CCCDMO COc1cc(C[N@H+]2CC[C@@]3(CCNC3=O)C2)c(O)cc1O ZINC001231633320 805822037 /nfs/dbraw/zinc/82/20/37/805822037.db2.gz LWRROAJTYDQOFB-HNNXBMFYSA-N 1 1 292.335 0.818 20 10 CCCDMO COc1cc(CN2CC[N@H+]3CC[C@H]3C2)c(O)cc1O ZINC001231641048 805825671 /nfs/dbraw/zinc/82/56/71/805825671.db2.gz YCCMQYHFYTUGRB-NSHDSACASA-N 1 1 264.325 0.996 20 10 CCCDMO COc1cc(N(C)C)ccc1C[N@H+]1CCOC[C@H](O)C1 ZINC001231849481 805863688 /nfs/dbraw/zinc/86/36/88/805863688.db2.gz UPYQAFWYOWXGFI-CQSZACIVSA-N 1 1 280.368 0.954 20 10 CCCDMO COc1cc(O)c(C[N@@H+](C)C[C@H](O)CO)cc1Cl ZINC001232268784 805917131 /nfs/dbraw/zinc/91/71/31/805917131.db2.gz VCBZVSFJTYENIY-VIFPVBQESA-N 1 1 275.732 0.839 20 10 CCCDMO CN(C)c1ccc(C[N@H+]2C[C@@H](O)[C@@H](F)C2)c(O)c1 ZINC001232834060 805985591 /nfs/dbraw/zinc/98/55/91/805985591.db2.gz FSHRRDDFNHYDBS-WCQYABFASA-N 1 1 254.305 0.973 20 10 CCCDMO CNC(=O)C1CC[NH+](Cc2cc(O)c(O)c(O)c2)CC1 ZINC001233009991 806004286 /nfs/dbraw/zinc/00/42/86/806004286.db2.gz GHRKTIIWDYFBLV-UHFFFAOYSA-N 1 1 280.324 0.761 20 10 CCCDMO CN1CC[N@H+](Cc2cc(O)c(O)cc2O)CCC1=O ZINC001233485285 806060702 /nfs/dbraw/zinc/06/07/02/806060702.db2.gz PHRJDRYQIUGZEH-UHFFFAOYSA-N 1 1 266.297 0.468 20 10 CCCDMO CN1CC[N@@H+](Cc2cc(O)c(O)cc2O)CCC1=O ZINC001233485285 806060713 /nfs/dbraw/zinc/06/07/13/806060713.db2.gz PHRJDRYQIUGZEH-UHFFFAOYSA-N 1 1 266.297 0.468 20 10 CCCDMO [O-]c1cc(F)cc(F)c1CN1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001234987136 806330079 /nfs/dbraw/zinc/33/00/79/806330079.db2.gz MOCZNNMOELKCJT-AWEZNQCLSA-N 1 1 283.322 0.808 20 10 CCCDMO COc1cc(O)c(C[N@H+]2CC[C@@H](CO)[C@@H](O)C2)cc1OC ZINC001236750726 806606832 /nfs/dbraw/zinc/60/68/32/806606832.db2.gz XZMHRGWQLPUUHS-GWCFXTLKSA-N 1 1 297.351 0.585 20 10 CCCDMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCc1ccc(N)cc1 ZINC001122540399 799259022 /nfs/dbraw/zinc/25/90/22/799259022.db2.gz UDRQQHJVVXHYQF-RISCZKNCSA-N 1 1 274.368 0.273 20 10 CCCDMO O=C1NC(=O)C2(CC[NH+](Cc3c(O)cccc3F)CC2)N1 ZINC001137839535 799689991 /nfs/dbraw/zinc/68/99/91/799689991.db2.gz CBTLRPFMZVFOKG-UHFFFAOYSA-N 1 1 293.298 0.705 20 10 CCCDMO OC[C@@H]1C[N@H+](Cc2cccc(F)c2O)CC[C@@H]1O ZINC001138123825 799702466 /nfs/dbraw/zinc/70/24/66/799702466.db2.gz NNRBBMYSCOCQTO-JQWIXIFHSA-N 1 1 255.289 0.706 20 10 CCCDMO OC[C@@H]1C[N@@H+](Cc2cccc(F)c2O)CC[C@@H]1O ZINC001138123825 799702471 /nfs/dbraw/zinc/70/24/71/799702471.db2.gz NNRBBMYSCOCQTO-JQWIXIFHSA-N 1 1 255.289 0.706 20 10 CCCDMO Cc1c(O)ccc(C[N@H+]2CC[C@H](O)[C@](C)(CO)C2)c1O ZINC001140744218 799938531 /nfs/dbraw/zinc/93/85/31/799938531.db2.gz PSWIKUXPZIFYEB-ZFWWWQNUSA-N 1 1 281.352 0.971 20 10 CCCDMO C[C@H]1C[N@H+](CCO)CCN1C(=O)c1cccc(O)c1O ZINC000837192045 799991601 /nfs/dbraw/zinc/99/16/01/799991601.db2.gz QTCCSAFOPNAEAO-JTQLQIEISA-N 1 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20 10 CCCDMO CC(C)[NH+]1CC(NC(=O)CN2C(=O)CSC2=S)C1 ZINC001144848743 840158721 /nfs/dbraw/zinc/15/87/21/840158721.db2.gz VLKLJEXBTZQGAJ-UHFFFAOYSA-N 1 1 287.410 0.056 20 10 CCCDMO O=C(c1cc(O)c(O)c(O)c1)N1CC[N@H+]2CC[C@H]2C1 ZINC001148588671 840853332 /nfs/dbraw/zinc/85/33/32/840853332.db2.gz ZOAHKCOCNRDTDL-VIFPVBQESA-N 1 1 264.281 0.334 20 10 CCCDMO COc1cc(C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cc(O)c1O ZINC001193097705 845976585 /nfs/dbraw/zinc/97/65/85/845976585.db2.gz LMIBSCNEJGRDIO-PHIMTYICSA-N 1 1 292.335 0.740 20 10 CCCDMO O=C(NCC[NH2+]CCO)c1cc(O)c(O)c(Cl)c1 ZINC001193624980 846128724 /nfs/dbraw/zinc/12/87/24/846128724.db2.gz BZDZXTKMJWFTQE-UHFFFAOYSA-N 1 1 274.704 0.063 20 10 CCCDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCc1ccc(N)cc1 ZINC001336974574 921135522 /nfs/dbraw/zinc/13/55/22/921135522.db2.gz AZUQNSQARJWHBX-CQSZACIVSA-N 1 1 291.399 0.314 20 10 CCCDMO COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(C)cc1O ZINC001308977036 908446015 /nfs/dbraw/zinc/44/60/15/908446015.db2.gz MKMQMNRQECOBJC-VXGBXAGGSA-N 1 1 265.309 0.809 20 10 CCCDMO COC(=O)[C@H]1C[C@@H](O)C[N@H+]1Cc1ccc(C)cc1O ZINC001308977036 908446023 /nfs/dbraw/zinc/44/60/23/908446023.db2.gz MKMQMNRQECOBJC-VXGBXAGGSA-N 1 1 265.309 0.809 20 10 CCCDMO C[N@@H+](CCNS(C)(=O)=O)Cc1cc2c(cc1O)CCC2 ZINC001322808877 911971284 /nfs/dbraw/zinc/97/12/84/911971284.db2.gz RJDCBLACWKPBNN-UHFFFAOYSA-N 1 1 298.408 0.862 20 10 CCCDMO O=C(NC[C@H]1CCC[N@@H+]1CCCO)c1cccc(O)c1O ZINC001328025141 914931170 /nfs/dbraw/zinc/93/11/70/914931170.db2.gz CRZZROZKZMEDMD-LLVKDONJSA-N 1 1 294.351 0.674 20 10 CCCDMO C[C@H]([NH2+]Cc1nnc2c(=O)n(C)ccn12)c1ccccc1O ZINC001336809612 921025741 /nfs/dbraw/zinc/02/57/41/921025741.db2.gz WAJCMOFYUPZPDR-JTQLQIEISA-N 1 1 299.334 0.984 20 10 CCCDMO C[C@H](C[NH3+])C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC001353147189 925741000 /nfs/dbraw/zinc/74/10/00/925741000.db2.gz RIPOUBPGNPMBQY-CYBMUJFWSA-N 1 1 290.411 0.649 20 10 CCCDMO CCCOc1ccc(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)c(O)c1 ZINC000093483813 349544384 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389621175 /nfs/dbraw/zinc/62/11/75/389621175.db2.gz NPOJTTJSVRLBQB-WDEREUQCSA-N 1 1 294.351 0.625 20 10 CCCDMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2cccc(O)c2O)[C@@H](C)C1 ZINC000281596852 389621178 /nfs/dbraw/zinc/62/11/78/389621178.db2.gz NPOJTTJSVRLBQB-WDEREUQCSA-N 1 1 294.351 0.625 20 10 CCCDMO CNC(=O)[C@@H]1C[N@@H+](Cc2cc(C)ccc2O)CCO1 ZINC000182456019 389708959 /nfs/dbraw/zinc/70/89/59/389708959.db2.gz RVBNDJSTNDCKHE-ZDUSSCGKSA-N 1 1 264.325 0.647 20 10 CCCDMO COCC[N@H+](Cc1cc(F)ccc1O)[C@@H](C)C(N)=O ZINC000180087477 389666035 /nfs/dbraw/zinc/66/60/35/389666035.db2.gz UVEGYRSVIGZPDA-VIFPVBQESA-N 1 1 270.304 0.854 20 10 CCCDMO COCC[N@@H+](Cc1cc(F)ccc1O)[C@@H](C)C(N)=O ZINC000180087477 389666037 /nfs/dbraw/zinc/66/60/37/389666037.db2.gz UVEGYRSVIGZPDA-VIFPVBQESA-N 1 1 270.304 0.854 20 10 CCCDMO C[N@H+](Cc1cc(F)ccc1O)C[C@@H](O)CN1CCOCC1 ZINC000180184733 389667186 /nfs/dbraw/zinc/66/71/86/389667186.db2.gz JAQJRJXXBSHYGN-CQSZACIVSA-N 1 1 298.358 0.656 20 10 CCCDMO COC[C@@H](O)C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000181972712 261917354 /nfs/dbraw/zinc/91/73/54/261917354.db2.gz BJQLRZRULHPPGS-INIZCTEOSA-N 1 1 294.395 0.962 20 10 CCCDMO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000274229280 328209963 /nfs/dbraw/zinc/20/99/63/328209963.db2.gz RRFRERWFEKLSFY-QMTHXVAHSA-N 1 1 294.351 0.476 20 10 CCCDMO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000274229280 328209964 /nfs/dbraw/zinc/20/99/64/328209964.db2.gz RRFRERWFEKLSFY-QMTHXVAHSA-N 1 1 294.351 0.476 20 10 CCCDMO COc1cccc(C[N@H+]2CC[C@H](C(N)=O)C2)c1O ZINC000157172353 525950417 /nfs/dbraw/zinc/95/04/17/525950417.db2.gz CTRPEGFNLQCSSS-JTQLQIEISA-N 1 1 250.298 0.708 20 10 CCCDMO CCOc1ccc(C[NH+]2CCN(C(=O)CO)CC2)c(O)c1 ZINC000793594833 581304235 /nfs/dbraw/zinc/30/42/35/581304235.db2.gz SCKLLMKTHKHFSY-UHFFFAOYSA-N 1 1 294.351 0.427 20 10 CCCDMO C[C@@H]([NH2+]CCc1nnnn1C)c1ccc(F)cc1O ZINC000756678632 581674126 /nfs/dbraw/zinc/67/41/26/581674126.db2.gz WYTOROCLYCKGPM-MRVPVSSYSA-N 1 1 265.292 0.948 20 10 CCCDMO O=C(OCCC[NH+]1CCOCC1)c1cccc(O)c1O ZINC000758547729 581754541 /nfs/dbraw/zinc/75/45/41/581754541.db2.gz NFLDDEMQADWHLT-UHFFFAOYSA-N 1 1 281.308 0.977 20 10 CCCDMO COc1cc(C)cc(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)c1O ZINC000894033191 617175484 /nfs/dbraw/zinc/17/54/84/617175484.db2.gz CYNMZACURCDHKG-PHIMTYICSA-N 1 1 253.298 0.247 20 10 CCCDMO COc1ccc(C[N@@H+](C)CCC(N)=O)c(O)c1OC ZINC000894431553 617247859 /nfs/dbraw/zinc/24/78/59/617247859.db2.gz HDRCBXKRIPEXBU-UHFFFAOYSA-N 1 1 268.313 0.717 20 10 CCCDMO COc1ccc(C[N@H+]2CC[C@@H](O)[C@H](CO)C2)c(O)c1OC ZINC000894937875 617251356 /nfs/dbraw/zinc/25/13/56/617251356.db2.gz UHOKGDLOTYBKOI-NWDGAFQWSA-N 1 1 297.351 0.585 20 10 CCCDMO COc1ccc(N2CC[C@H]([NH2+][C@H]3CNCCOC3)C2)cc1 ZINC000925711906 617268252 /nfs/dbraw/zinc/26/82/52/617268252.db2.gz FTRIQTGWGAEQIE-KBPBESRZSA-N 1 1 291.395 0.852 20 10 CCCDMO COc1ccc(O)c(C[N@@H+]2CCO[C@H]([C@@H](C)O)C2)c1 ZINC000840977881 617272963 /nfs/dbraw/zinc/27/29/63/617272963.db2.gz KUXXBWKYIJFZDO-YGRLFVJLSA-N 1 1 267.325 0.982 20 10 CCCDMO COc1ccc(O)c(C[N@H+]2CCO[C@H]([C@@H](C)O)C2)c1 ZINC000840977881 617272965 /nfs/dbraw/zinc/27/29/65/617272965.db2.gz KUXXBWKYIJFZDO-YGRLFVJLSA-N 1 1 267.325 0.982 20 10 CCCDMO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cnccc2N)cc1 ZINC000841846268 616019703 /nfs/dbraw/zinc/01/97/03/616019703.db2.gz OBXQWWAAASUMBT-OAHLLOKOSA-N 1 1 299.378 0.990 20 10 CCCDMO C[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(N)cc1 ZINC000861514422 616195820 /nfs/dbraw/zinc/19/58/20/616195820.db2.gz NQQCPKNFXACFID-GFCCVEGCSA-N 1 1 276.340 0.418 20 10 CCCDMO C[N@H+]1CCC[C@@](O)(CC(=O)NCc2ccc(O)c(O)c2)C1 ZINC000901130546 616202045 /nfs/dbraw/zinc/20/20/45/616202045.db2.gz CVQKXXRXVJCWHY-OAHLLOKOSA-N 1 1 294.351 0.561 20 10 CCCDMO C[NH+]1CCN(c2ccc(CN[C@H]3CNOC3)cc2)CC1 ZINC000904425429 616247124 /nfs/dbraw/zinc/24/71/24/616247124.db2.gz MCSLEVOPFRLMOH-AWEZNQCLSA-N 1 1 276.384 0.431 20 10 CCCDMO C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCCc1ccc(O)c(O)c1 ZINC000901123948 616319268 /nfs/dbraw/zinc/31/92/68/616319268.db2.gz UDPTXGQOTJIBPN-NHYWBVRUSA-N 1 1 294.351 0.212 20 10 CCCDMO COC(=O)[C@H]1C[C@@H](O)C[N@@H+](Cc2cccc(OC)c2O)C1 ZINC000843435524 616707201 /nfs/dbraw/zinc/70/72/01/616707201.db2.gz VNXBUSYBTWVGHF-NWDGAFQWSA-N 1 1 295.335 0.757 20 10 CCCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H]2COCCN2)c1 ZINC000863545467 616918448 /nfs/dbraw/zinc/91/84/48/616918448.db2.gz SKKGPPJFYVJZBA-CMPLNLGQSA-N 1 1 294.351 0.818 20 10 CCCDMO CNS(=O)(=O)CC[N@@H+](C)Cc1ccccc1O ZINC000856730724 617016251 /nfs/dbraw/zinc/01/62/51/617016251.db2.gz GZVUOWWGOZSFEC-UHFFFAOYSA-N 1 1 258.343 0.373 20 10 CCCDMO Cc1cccc(O)c1C[N@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000895946758 632178258 /nfs/dbraw/zinc/17/82/58/632178258.db2.gz VHSGJSDACCRTMD-KOLCDFICSA-N 1 1 250.298 0.121 20 10 CCCDMO Cc1cc(CN(C)C[C@@H](O)C[NH3+])ccc1N(C)C ZINC000923367770 640105509 /nfs/dbraw/zinc/10/55/09/640105509.db2.gz XIVCKZZELFVZRG-ZDUSSCGKSA-N 1 1 251.374 0.812 20 10 CCCDMO 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GYWMTRIZRJUYQB-QMMMGPOBSA-N 1 1 261.705 0.536 20 10 CCCDMO Oc1cc(O)c(C[N@H+]2CCOC[C@H](O)C2)cc1Cl ZINC001232260438 805915255 /nfs/dbraw/zinc/91/52/55/805915255.db2.gz QKIIUDBOUQGHAU-SECBINFHSA-N 1 1 273.716 0.944 20 10 CCCDMO Oc1cc(O)c(C[N@@H+]2CCOC[C@H](O)C2)cc1Cl ZINC001232260438 805915260 /nfs/dbraw/zinc/91/52/60/805915260.db2.gz QKIIUDBOUQGHAU-SECBINFHSA-N 1 1 273.716 0.944 20 10 CCCDMO OC[C@]1(F)CC[N@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233483018 806059232 /nfs/dbraw/zinc/05/92/32/806059232.db2.gz LHHMPCRHWQCBSO-LBPRGKRZSA-N 1 1 257.261 0.710 20 10 CCCDMO OC[C@]1(F)CC[N@@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233483018 806059242 /nfs/dbraw/zinc/05/92/42/806059242.db2.gz LHHMPCRHWQCBSO-LBPRGKRZSA-N 1 1 257.261 0.710 20 10 CCCDMO COC(=O)[C@H]1C[N@H+](Cc2c(C)cc(OC)cc2O)C[C@H]1N ZINC001236352143 806582334 /nfs/dbraw/zinc/58/23/34/806582334.db2.gz MLABIQDWPNLMSX-QWHCGFSZSA-N 1 1 294.351 0.641 20 10 CCCDMO COC(=O)[C@H]1C[N@@H+](Cc2c(C)cc(OC)cc2O)C[C@H]1N ZINC001236352143 806582339 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RAUCNGAOIPEVKQ-MNOVXSKESA-N 1 1 292.335 0.379 20 10 CCCDMO O=C(C1=CC(=O)CS1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000861715126 644916480 /nfs/dbraw/zinc/91/64/80/644916480.db2.gz LARZOLIKBAOLKP-ZJUUUORDSA-N 1 1 282.365 0.735 20 10 CCCDMO O=C(C1=CC(=O)CS1)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000861715126 644916486 /nfs/dbraw/zinc/91/64/86/644916486.db2.gz LARZOLIKBAOLKP-ZJUUUORDSA-N 1 1 282.365 0.735 20 10 CCCDMO COc1cc(O)c(C[N@@H+](C)[C@]2(CO)CCOC2)cc1OC ZINC000862426558 644999114 /nfs/dbraw/zinc/99/91/14/644999114.db2.gz JRGTXCIPYVABRG-HNNXBMFYSA-N 1 1 297.351 0.993 20 10 CCCDMO Cc1ccc(O)c(C[N@H+]2CCO[C@H](CC(N)=O)C2)c1 ZINC000862535507 645004850 /nfs/dbraw/zinc/00/48/50/645004850.db2.gz PBKBQBNZPRXJMK-GFCCVEGCSA-N 1 1 264.325 0.777 20 10 CCCDMO NC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2O)CCO1 ZINC000862535816 645005428 /nfs/dbraw/zinc/00/54/28/645005428.db2.gz YYNVEXTZEASGAK-LLVKDONJSA-N 1 1 250.298 0.468 20 10 CCCDMO NC(=O)C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)CCC3)CCO1 ZINC000863324776 645081422 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OC[C@@]1(F)CC[N@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233483017 806058512 /nfs/dbraw/zinc/05/85/12/806058512.db2.gz LHHMPCRHWQCBSO-GFCCVEGCSA-N 1 1 257.261 0.710 20 10 CCCDMO OC[C@@]1(F)CC[N@@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233483017 806058522 /nfs/dbraw/zinc/05/85/22/806058522.db2.gz LHHMPCRHWQCBSO-GFCCVEGCSA-N 1 1 257.261 0.710 20 10 CCCDMO Cc1ccc(O)c(CN2CCN[C@]3(CC[NH2+]C3)C2)c1 ZINC001235055252 806359431 /nfs/dbraw/zinc/35/94/31/806359431.db2.gz UEOHNGMQWPSWFD-HNNXBMFYSA-N 1 1 261.369 0.838 20 10 CCCDMO COC(=O)[C@@H]1C[N@H+](Cc2c(C)cc(OC)cc2O)C[C@H]1N ZINC001236352101 806583067 /nfs/dbraw/zinc/58/30/67/806583067.db2.gz MLABIQDWPNLMSX-CHWSQXEVSA-N 1 1 294.351 0.641 20 10 CCCDMO COC(=O)[C@@H]1C[N@@H+](Cc2c(C)cc(OC)cc2O)C[C@H]1N ZINC001236352101 806583076 /nfs/dbraw/zinc/58/30/76/806583076.db2.gz MLABIQDWPNLMSX-CHWSQXEVSA-N 1 1 294.351 0.641 20 10 CCCDMO COC(=O)[C@H]1C[N@H+](Cc2c(C)cc(C)cc2O)C[C@H]1N ZINC001236356772 806584936 /nfs/dbraw/zinc/58/49/36/806584936.db2.gz RPLLGEJGKYDMKS-QWHCGFSZSA-N 1 1 278.352 0.941 20 10 CCCDMO COC(=O)[C@H]1C[N@@H+](Cc2c(C)cc(C)cc2O)C[C@H]1N ZINC001236356772 806584942 /nfs/dbraw/zinc/58/49/42/806584942.db2.gz RPLLGEJGKYDMKS-QWHCGFSZSA-N 1 1 278.352 0.941 20 10 CCCDMO COC(=O)[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2O)C[C@@H]1N ZINC001236361236 806587506 /nfs/dbraw/zinc/58/75/06/806587506.db2.gz XOHNDAVVIKZWPG-OLZOCXBDSA-N 1 1 293.367 0.390 20 10 CCCDMO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2O)C[C@@H]1N ZINC001236361236 806587511 /nfs/dbraw/zinc/58/75/11/806587511.db2.gz XOHNDAVVIKZWPG-OLZOCXBDSA-N 1 1 293.367 0.390 20 10 CCCDMO COc1cc(O)c(C[N@H+]2C[C@H](O)[C@H](CO)C2)cc1OC ZINC001236749548 806607755 /nfs/dbraw/zinc/60/77/55/806607755.db2.gz JVESOFJIKISQGT-JQWIXIFHSA-N 1 1 283.324 0.194 20 10 CCCDMO OC[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2O)C[C@@H]1O ZINC001140463120 799910038 /nfs/dbraw/zinc/91/00/38/799910038.db2.gz TXHZHQFJONJKEV-CABZTGNLSA-N 1 1 257.717 0.831 20 10 CCCDMO Cc1c(O)ccc(C[NH+]2CC(N3CCNC(=O)C3)C2)c1O ZINC001140748836 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ZINC001206518647 803256522 /nfs/dbraw/zinc/25/65/22/803256522.db2.gz BZHXOQFTOWUMEW-HOCLYGCPSA-N 1 1 291.395 0.275 20 10 CCCDMO Oc1ccccc1CN1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222492345 804906193 /nfs/dbraw/zinc/90/61/93/804906193.db2.gz TWSOQULWLLSBMX-KBPBESRZSA-N 1 1 261.369 0.918 20 10 CCCDMO C[N@H+]1CCO[C@H]2CN(c3ccc4c(c3)OCCO4)C[C@@H]21 ZINC001277014626 805100008 /nfs/dbraw/zinc/10/00/08/805100008.db2.gz VFNVPADNZKMRSF-WFASDCNBSA-N 1 1 276.336 0.977 20 10 CCCDMO CC[N@H+](Cc1ccccc1O)C[C@@H](O)CN1CCOCC1 ZINC001251022105 807643629 /nfs/dbraw/zinc/64/36/29/807643629.db2.gz WMHZNODTKHFEGY-OAHLLOKOSA-N 1 1 294.395 0.907 20 10 CCCDMO Nc1ccc(C[N@H+]2CCC[C@]3(C2)NC(=O)NC3=O)cc1 ZINC001262487772 809318498 /nfs/dbraw/zinc/31/84/98/809318498.db2.gz DZOPAELBISWVGM-CQSZACIVSA-N 1 1 274.324 0.443 20 10 CCCDMO O=C(C[NH+]1CCC(CO)CC1)NCc1ccc(O)cc1O ZINC001262629426 809379922 /nfs/dbraw/zinc/37/99/22/809379922.db2.gz ZMUADLZZMOBITC-UHFFFAOYSA-N 1 1 294.351 0.418 20 10 CCCDMO C[N@H+]1CC[C@H]2CN(C(=O)c3cc(O)[nH]c(=O)c3)C[C@H]2CC1 ZINC001269919665 813556915 /nfs/dbraw/zinc/55/69/15/813556915.db2.gz ULDUDCWJKFWQMU-PHIMTYICSA-N 1 1 291.351 0.907 20 10 CCCDMO C[N@@H+]1CC[C@H]2CN(C(=O)c3cc(O)[nH]c(=O)c3)C[C@H]2CC1 ZINC001269919665 813556919 /nfs/dbraw/zinc/55/69/19/813556919.db2.gz ULDUDCWJKFWQMU-PHIMTYICSA-N 1 1 291.351 0.907 20 10 CCCDMO Oc1cc2c(cc1C[NH2+][C@@H]1CCCNC1)OCO2 ZINC000841042626 814605206 /nfs/dbraw/zinc/60/52/06/814605206.db2.gz MDJDULGYOSSWJJ-SNVBAGLBSA-N 1 1 250.298 0.963 20 10 CCCDMO CN(C)c1ccc(CNC[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000702636130 819153106 /nfs/dbraw/zinc/15/31/06/819153106.db2.gz LWCDOQKHNGBXSM-HNNXBMFYSA-N 1 1 263.385 0.909 20 10 CCCDMO CN(C)c1ccc(CNC[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC000702636130 819153114 /nfs/dbraw/zinc/15/31/14/819153114.db2.gz LWCDOQKHNGBXSM-HNNXBMFYSA-N 1 1 263.385 0.909 20 10 CCCDMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCc1ccccc1O ZINC000828637474 821796081 /nfs/dbraw/zinc/79/60/81/821796081.db2.gz 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ZINC001334753921 919742794 /nfs/dbraw/zinc/74/27/94/919742794.db2.gz IPUKDHHSMYVLQY-OAHLLOKOSA-N 1 1 260.385 0.748 20 10 CCCDMO COc1ccc(C[N@@H+]2CCNC(=O)CC2)c(O)c1OC ZINC001351951196 925497828 /nfs/dbraw/zinc/49/78/28/925497828.db2.gz XTUZXRGLGZOAPH-UHFFFAOYSA-N 1 1 280.324 0.731 20 10 CCCDMO COc1ccc(C[N@H+]2CCNC(=O)CC2)c(O)c1OC ZINC001351951196 925497833 /nfs/dbraw/zinc/49/78/33/925497833.db2.gz XTUZXRGLGZOAPH-UHFFFAOYSA-N 1 1 280.324 0.731 20 10 CCCDMO CN1CC[NH+](CCCNC(=O)c2cccc(O)c2O)CC1 ZINC000188077237 351571629 /nfs/dbraw/zinc/57/16/29/351571629.db2.gz OADOZCRVGZREQA-UHFFFAOYSA-N 1 1 293.367 0.465 20 10 CCCDMO COc1cccc(C[N@@H+]2CCO[C@H](CO)C2)c1O ZINC000271198371 353031841 /nfs/dbraw/zinc/03/18/41/353031841.db2.gz SGEQEIDHYPHRNI-NSHDSACASA-N 1 1 253.298 0.594 20 10 CCCDMO COc1cccc(C[N@H+]2CCO[C@H](CO)C2)c1O ZINC000271198371 353031844 /nfs/dbraw/zinc/03/18/44/353031844.db2.gz SGEQEIDHYPHRNI-NSHDSACASA-N 1 1 253.298 0.594 20 10 CCCDMO C[N@H+]1CCC[C@H]1C(=O)NCc1ccc(O)c(O)c1 ZINC000272332662 353053813 /nfs/dbraw/zinc/05/38/13/353053813.db2.gz MYRJEDKBQQLHTP-JTQLQIEISA-N 1 1 250.298 0.808 20 10 CCCDMO CN(C)c1ccc(C[N@H+]2C[C@H](O)C[C@H]2CO)cc1F ZINC000364329150 357110291 /nfs/dbraw/zinc/11/02/91/357110291.db2.gz QHLUVAFVKCXOKO-NWDGAFQWSA-N 1 1 268.332 0.819 20 10 CCCDMO Oc1cc2c(cc1C[N@@H+]1CCOC[C@H](O)C1)OCO2 ZINC000294904364 199241269 /nfs/dbraw/zinc/24/12/69/199241269.db2.gz XOJXXMCICFLCFU-SNVBAGLBSA-N 1 1 267.281 0.314 20 10 CCCDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CC[C@@](C)(O)C2)cc1 ZINC000267341391 389369911 /nfs/dbraw/zinc/36/99/11/389369911.db2.gz LKMSHIYRYNAUBY-MRXNPFEDSA-N 1 1 291.395 0.826 20 10 CCCDMO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@](O)(C(N)=O)C2)c1O ZINC000276480337 389516445 /nfs/dbraw/zinc/51/64/45/389516445.db2.gz RYAKMECXLSTANJ-CQSZACIVSA-N 1 1 296.298 0.156 20 10 CCCDMO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@](O)(C(N)=O)C2)c1O ZINC000276480337 389516448 /nfs/dbraw/zinc/51/64/48/389516448.db2.gz RYAKMECXLSTANJ-CQSZACIVSA-N 1 1 296.298 0.156 20 10 CCCDMO COCC(=O)N1CC[NH+](Cc2cc(OC)ccc2O)CC1 ZINC000179673448 389661065 /nfs/dbraw/zinc/66/10/65/389661065.db2.gz WVURRVFOMIEDGO-UHFFFAOYSA-N 1 1 294.351 0.691 20 10 CCCDMO COc1ccc(O)c(C[N@@H+]2C[C@@H](C)O[C@@H](C(N)=O)C2)c1 ZINC000180726458 389674439 /nfs/dbraw/zinc/67/44/39/389674439.db2.gz LSHPKUMMWIDOML-NOZJJQNGSA-N 1 1 280.324 0.475 20 10 CCCDMO COc1ccc(O)c(C[N@H+]2C[C@@H](C)O[C@@H](C(N)=O)C2)c1 ZINC000180726458 389674441 /nfs/dbraw/zinc/67/44/41/389674441.db2.gz LSHPKUMMWIDOML-NOZJJQNGSA-N 1 1 280.324 0.475 20 10 CCCDMO CCN(CC)c1ccc(CNC(=O)[C@@H]([NH3+])CC(N)=O)cc1 ZINC000269741074 262976243 /nfs/dbraw/zinc/97/62/43/262976243.db2.gz VOLMTGPZMDEDPH-ZDUSSCGKSA-N 1 1 292.383 0.352 20 10 CCCDMO CC(=O)c1cc(F)cc(C[N@H+](CCO)C[C@H](C)O)c1O ZINC000289872790 518283576 /nfs/dbraw/zinc/28/35/76/518283576.db2.gz QVUXQSZCFMHGLT-VIFPVBQESA-N 1 1 285.315 0.909 20 10 CCCDMO Cc1ccc(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)c(O)c1O ZINC000780982858 581254148 /nfs/dbraw/zinc/25/41/48/581254148.db2.gz CFLZGQZCEHSZDN-CMPLNLGQSA-N 1 1 294.351 0.855 20 10 CCCDMO Cc1ccc(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)c(O)c1O ZINC000780982858 581254149 /nfs/dbraw/zinc/25/41/49/581254149.db2.gz CFLZGQZCEHSZDN-CMPLNLGQSA-N 1 1 294.351 0.855 20 10 CCCDMO CO[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C[C@@H]1OC ZINC000792713631 581268908 /nfs/dbraw/zinc/26/89/08/581268908.db2.gz MVACLQNZTRORKX-AEGPPILISA-N 1 1 295.335 0.664 20 10 CCCDMO COc1ccc(CNC(=O)[C@H]2C[N@H+](C)CCO2)c(O)c1 ZINC000794378087 581366523 /nfs/dbraw/zinc/36/65/23/581366523.db2.gz PEHYWKPKSNFRPH-CYBMUJFWSA-N 1 1 280.324 0.348 20 10 CCCDMO COc1ccc(CNC(=O)[C@H]2C[N@@H+](C)CCO2)c(O)c1 ZINC000794378087 581366524 /nfs/dbraw/zinc/36/65/24/581366524.db2.gz PEHYWKPKSNFRPH-CYBMUJFWSA-N 1 1 280.324 0.348 20 10 CCCDMO CCOc1ccc(C[N@@H+]2CCO[C@@H](C(N)=O)C2)c(O)c1 ZINC000769217677 581677524 /nfs/dbraw/zinc/67/75/24/581677524.db2.gz JGQZNHFFLOQZMQ-CYBMUJFWSA-N 1 1 280.324 0.477 20 10 CCCDMO CCOc1ccc(C[N@H+]2CCO[C@@H](C(N)=O)C2)c(O)c1 ZINC000769217677 581677526 /nfs/dbraw/zinc/67/75/26/581677526.db2.gz JGQZNHFFLOQZMQ-CYBMUJFWSA-N 1 1 280.324 0.477 20 10 CCCDMO COc1cccc(O)c1C[N@H+]1CCN2CCOC[C@H]2C1 ZINC000757927507 581715016 /nfs/dbraw/zinc/71/50/16/581715016.db2.gz GJKCUAWTPLCVNR-GFCCVEGCSA-N 1 1 278.352 0.917 20 10 CCCDMO COc1c(O)c(C[NH2+]C2(CO)CC2)ccc1[N+](=O)[O-] ZINC000775052732 582010433 /nfs/dbraw/zinc/01/04/33/582010433.db2.gz XLNVAINRMJBHAX-UHFFFAOYSA-N 1 1 268.269 0.924 20 10 CCCDMO COc1ccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c(O)c1OC ZINC000894737682 617249920 /nfs/dbraw/zinc/24/99/20/617249920.db2.gz CWMZFGNURLCOAX-SNVBAGLBSA-N 1 1 280.324 0.859 20 10 CCCDMO COc1ccc(C[N@H+]2CCC[C@@H]2C(N)=O)c(O)c1OC ZINC000894737682 617249922 /nfs/dbraw/zinc/24/99/22/617249922.db2.gz CWMZFGNURLCOAX-SNVBAGLBSA-N 1 1 280.324 0.859 20 10 CCCDMO CN(C)c1ccc(CNC(=O)C[N@@H+]2C[C@H]3C[C@@]3(O)C2)cc1 ZINC000880416595 616014977 /nfs/dbraw/zinc/01/49/77/616014977.db2.gz ULKZNLRMOOHNOE-CZUORRHYSA-N 1 1 289.379 0.435 20 10 CCCDMO CN(C)c1ccc(CNC(=O)C[N@H+]2C[C@H]3C[C@@]3(O)C2)cc1 ZINC000880416595 616014978 /nfs/dbraw/zinc/01/49/78/616014978.db2.gz ULKZNLRMOOHNOE-CZUORRHYSA-N 1 1 289.379 0.435 20 10 CCCDMO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cnn[nH]2)cc1 ZINC000832273805 616019266 /nfs/dbraw/zinc/01/92/66/616019266.db2.gz QHYVFZICJHHCMR-NSHDSACASA-N 1 1 274.328 0.301 20 10 CCCDMO C[N@@H+](CCS(N)(=O)=O)Cc1cc2c(cc1O)CCC2 ZINC000872823755 616121404 /nfs/dbraw/zinc/12/14/04/616121404.db2.gz ZGMINKAJXBHIBM-UHFFFAOYSA-N 1 1 284.381 0.601 20 10 CCCDMO CN1CC[N@@H+](C)CC(C(=O)NCc2c(O)cccc2F)C1 ZINC000928709257 616234249 /nfs/dbraw/zinc/23/42/49/616234249.db2.gz HHEIPZONKGBBGZ-UHFFFAOYSA-N 1 1 295.358 0.641 20 10 CCCDMO CN(C)c1ccc(C[N@H+]2CCN(C)C[C@@H]2CO)cc1 ZINC000877643585 616245096 /nfs/dbraw/zinc/24/50/96/616245096.db2.gz GVQXLXFVXYXYRB-OAHLLOKOSA-N 1 1 263.385 0.861 20 10 CCCDMO CN(C)c1ccc(CN2CC[N@H+](C)C[C@@H]2CO)cc1 ZINC000877643585 616245097 /nfs/dbraw/zinc/24/50/97/616245097.db2.gz GVQXLXFVXYXYRB-OAHLLOKOSA-N 1 1 263.385 0.861 20 10 CCCDMO CN(C)c1ccc(CN2CC[N@@H+](C)C[C@@H]2CO)cc1 ZINC000877643585 616245098 /nfs/dbraw/zinc/24/50/98/616245098.db2.gz GVQXLXFVXYXYRB-OAHLLOKOSA-N 1 1 263.385 0.861 20 10 CCCDMO C[N@@H+]1CCO[C@@H](C(=O)NCc2c(O)cccc2F)C1 ZINC000928706510 616252718 /nfs/dbraw/zinc/25/27/18/616252718.db2.gz VJHXWUWSTHXZBV-GFCCVEGCSA-N 1 1 268.288 0.478 20 10 CCCDMO C[N@H+]1CCO[C@@H](C(=O)NCc2c(O)cccc2F)C1 ZINC000928706510 616252719 /nfs/dbraw/zinc/25/27/19/616252719.db2.gz VJHXWUWSTHXZBV-GFCCVEGCSA-N 1 1 268.288 0.478 20 10 CCCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H]2COC[C@@H]2O)c1 ZINC000866421029 616918396 /nfs/dbraw/zinc/91/83/96/616918396.db2.gz UZALRDJJKJVHJL-DYLAAIIWSA-N 1 1 281.308 0.589 20 10 CCCDMO C[C@@]1(CO)C[C@H](O)C[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000895328506 632058474 /nfs/dbraw/zinc/05/84/74/632058474.db2.gz GVHNPHKOQLMBFU-HZMBPMFUSA-N 1 1 281.308 0.439 20 10 CCCDMO C[C@]1(CO)C[C@@H](O)C[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000895328508 632058780 /nfs/dbraw/zinc/05/87/80/632058780.db2.gz GVHNPHKOQLMBFU-QMTHXVAHSA-N 1 1 281.308 0.439 20 10 CCCDMO Cn1cc(C[NH2+]Cc2c(O)cccc2F)c(=O)n(C)c1=O ZINC000896642410 632307557 /nfs/dbraw/zinc/30/75/57/632307557.db2.gz WEYAGTGCNGVYCI-UHFFFAOYSA-N 1 1 293.298 0.219 20 10 CCCDMO C[C@@H]1NC(=O)N(CC[N@@H+](C)Cc2ccccc2O)C1=O ZINC000838895213 640278028 /nfs/dbraw/zinc/27/80/28/640278028.db2.gz LTMZJRCYOCMCLN-JTQLQIEISA-N 1 1 277.324 0.764 20 10 CCCDMO Cc1ccc(C(=O)N2CC[N@@H+](CCO)C[C@H]2C)c(O)c1O ZINC000837192578 642728720 /nfs/dbraw/zinc/72/87/20/642728720.db2.gz VMJYADNEXVYXGA-LLVKDONJSA-N 1 1 294.351 0.545 20 10 CCCDMO Cc1ccc(C(=O)N2CC[N@H+](CCO)C[C@H]2C)c(O)c1O ZINC000837192578 642728727 /nfs/dbraw/zinc/72/87/27/642728727.db2.gz VMJYADNEXVYXGA-LLVKDONJSA-N 1 1 294.351 0.545 20 10 CCCDMO O=C(C1=CC(=O)CS1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000848390970 643631781 /nfs/dbraw/zinc/63/17/81/643631781.db2.gz MZKHADJHEFGJRM-DTWKUNHWSA-N 1 1 268.338 0.345 20 10 CCCDMO O=C(C1=CC(=O)CS1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000848390970 643631782 /nfs/dbraw/zinc/63/17/82/643631782.db2.gz MZKHADJHEFGJRM-DTWKUNHWSA-N 1 1 268.338 0.345 20 10 CCCDMO Cc1cccc(O)c1C[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000877168451 646745963 /nfs/dbraw/zinc/74/59/63/646745963.db2.gz UTYIIGHZEPSOHD-NSHDSACASA-N 1 1 275.308 0.437 20 10 CCCDMO Cc1ccc(O)c(C[N@@H+]2CCN(C)C[C@@H]2CO)c1 ZINC000877644140 646831612 /nfs/dbraw/zinc/83/16/12/646831612.db2.gz MMFSHFKYFYVPRZ-CYBMUJFWSA-N 1 1 250.342 0.809 20 10 CCCDMO C[C@H]([NH2+]C[C@H](O)CS(C)(=O)=O)c1ccc(F)cc1O ZINC000927026079 648539725 /nfs/dbraw/zinc/53/97/25/648539725.db2.gz POHTUDMUXYLJAV-WPRPVWTQSA-N 1 1 291.344 0.587 20 10 CCCDMO COc1cccc(C[N@H+]2CCN(CCO)[C@H](C)C2)c1O ZINC000190236528 649437574 /nfs/dbraw/zinc/43/75/74/649437574.db2.gz PPPITMGOJCVIBR-GFCCVEGCSA-N 1 1 280.368 0.899 20 10 CCCDMO COc1cccc(CN2CC[N@H+](CCO)[C@H](C)C2)c1O ZINC000190236528 649437577 /nfs/dbraw/zinc/43/75/77/649437577.db2.gz PPPITMGOJCVIBR-GFCCVEGCSA-N 1 1 280.368 0.899 20 10 CCCDMO COc1cccc(CN2CC[N@@H+](CCO)[C@H](C)C2)c1O ZINC000190236528 649437579 /nfs/dbraw/zinc/43/75/79/649437579.db2.gz PPPITMGOJCVIBR-GFCCVEGCSA-N 1 1 280.368 0.899 20 10 CCCDMO COc1ccc(O)c([C@H](C)NC(=O)[C@H]2C[N@H+](C)CCO2)c1 ZINC000085521479 649612490 /nfs/dbraw/zinc/61/24/90/649612490.db2.gz KOXLYIYCBKRTIH-IINYFYTJSA-N 1 1 294.351 0.909 20 10 CCCDMO COc1ccc(O)c([C@H](C)NC(=O)[C@H]2C[N@@H+](C)CCO2)c1 ZINC000085521479 649612491 /nfs/dbraw/zinc/61/24/91/649612491.db2.gz KOXLYIYCBKRTIH-IINYFYTJSA-N 1 1 294.351 0.909 20 10 CCCDMO Cc1cc(C)c(C[N@H+]2CCO[C@@H](C(N)=O)C2)c(O)c1 ZINC001231847250 805860491 /nfs/dbraw/zinc/86/04/91/805860491.db2.gz VRVQAZQSGVKQEP-CYBMUJFWSA-N 1 1 264.325 0.695 20 10 CCCDMO NC(=O)[C@H]1CCC[N@@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233008802 806004594 /nfs/dbraw/zinc/00/45/94/806004594.db2.gz HLRVTOJDZHEYDJ-VIFPVBQESA-N 1 1 266.297 0.501 20 10 CCCDMO C[C@@H]1CN(Cc2cc(O)c(O)c(O)c2)CC[N@H+]1C ZINC001233016077 806008028 /nfs/dbraw/zinc/00/80/28/806008028.db2.gz FTMGSAWIKMNZMW-SECBINFHSA-N 1 1 252.314 0.939 20 10 CCCDMO O=C1NCC[C@]12CCC[N@H+](Cc1cc(O)c(O)cc1O)C2 ZINC001233484000 806061997 /nfs/dbraw/zinc/06/19/97/806061997.db2.gz UMFFOQUKAVOHTA-HNNXBMFYSA-N 1 1 292.335 0.906 20 10 CCCDMO COC(=O)[C@@H]1C[N@H+](Cc2ccccc2O)C[C@@H]1N ZINC001236337959 806567888 /nfs/dbraw/zinc/56/78/88/806567888.db2.gz CGVXIKISNQRFMC-MNOVXSKESA-N 1 1 250.298 0.324 20 10 CCCDMO COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2O)C[C@@H]1N ZINC001236337959 806567892 /nfs/dbraw/zinc/56/78/92/806567892.db2.gz CGVXIKISNQRFMC-MNOVXSKESA-N 1 1 250.298 0.324 20 10 CCCDMO CN1CCCc2cc(C[N@@H+](C)C[C@@H](O)CO)ccc21 ZINC001138355330 799723118 /nfs/dbraw/zinc/72/31/18/799723118.db2.gz OAWQPZRSPOJPCX-CQSZACIVSA-N 1 1 264.369 0.854 20 10 CCCDMO CC1(C[NH3+])C[NH+](Cc2ccc(C(=O)[O-])cc2O)C1 ZINC001206729291 799761462 /nfs/dbraw/zinc/76/14/62/799761462.db2.gz ATFRRKXFNQDUOS-UHFFFAOYSA-N 1 1 250.298 0.871 20 10 CCCDMO Cc1c(O)ccc(C[N@@H+]2C[C@H]3CN(C)C(=O)[C@H]3C2)c1O ZINC001140749148 799939941 /nfs/dbraw/zinc/93/99/41/799939941.db2.gz YSGNWCYPOHKWIQ-NEPJUHHUSA-N 1 1 276.336 0.926 20 10 CCCDMO O=c1[nH]c(=O)c2c([nH]1)CC[N@H+](Cc1cc(O)ccc1O)C2 ZINC001141159974 799986291 /nfs/dbraw/zinc/98/62/91/799986291.db2.gz NTMSCENSZBCXFO-UHFFFAOYSA-N 1 1 289.291 0.857 20 10 CCCDMO COC(=O)[C@H]1C[N@H+](C)CCN1Cc1cc(OC)ccc1O ZINC001203681063 803040785 /nfs/dbraw/zinc/04/07/85/803040785.db2.gz NPJMZYUCKDUZEB-CYBMUJFWSA-N 1 1 294.351 0.690 20 10 CCCDMO COC(=O)[C@H]1C[N@@H+](C)CCN1Cc1cc(OC)ccc1O ZINC001203681063 803040791 /nfs/dbraw/zinc/04/07/91/803040791.db2.gz NPJMZYUCKDUZEB-CYBMUJFWSA-N 1 1 294.351 0.690 20 10 CCCDMO COC(=O)[C@@H]1C[N@H+](C)CCN1Cc1cc(OC)ccc1O ZINC001203681064 803041882 /nfs/dbraw/zinc/04/18/82/803041882.db2.gz NPJMZYUCKDUZEB-ZDUSSCGKSA-N 1 1 294.351 0.690 20 10 CCCDMO COC(=O)[C@@H]1C[N@@H+](C)CCN1Cc1cc(OC)ccc1O ZINC001203681064 803041891 /nfs/dbraw/zinc/04/18/91/803041891.db2.gz 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O=[S@]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cc2c(cc1O)OCO2 ZINC000844740925 643243782 /nfs/dbraw/zinc/24/37/82/643243782.db2.gz ILYBTBZISVTQBH-GJPGNPISSA-N 1 1 281.333 0.826 20 10 CCCDMO Oc1c(F)cccc1CN1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000848926667 643689546 /nfs/dbraw/zinc/68/95/46/643689546.db2.gz VMEXFHHFGYDYGJ-NWDGAFQWSA-N 1 1 266.316 0.782 20 10 CCCDMO O=C(/C=C/c1ccc(O)c(O)c1)NCC[N@@H+]1CC[C@H](O)C1 ZINC000863832859 645133178 /nfs/dbraw/zinc/13/31/78/645133178.db2.gz HDQQBBRFZJLLJD-KMOQFTEPSA-N 1 1 292.335 0.294 20 10 CCCDMO C[C@@H](C(=O)N1Cc2cccc(O)c2C1)N1CC[NH+](C)CC1 ZINC000871203092 646119291 /nfs/dbraw/zinc/11/92/91/646119291.db2.gz RXGUFGZRDRLDGB-LBPRGKRZSA-N 1 1 289.379 0.870 20 10 CCCDMO Cc1ccc(C[N@H+]2CCC[C@]3(C2)NC(=O)NC3=O)c(O)c1 ZINC000877490474 646819429 /nfs/dbraw/zinc/81/94/29/646819429.db2.gz WTHANFYHPPJCHQ-OAHLLOKOSA-N 1 1 289.335 0.875 20 10 CCCDMO Cc1ccc(O)c(C[N@@H+](C)CCS(N)(=O)=O)c1 ZINC000877826495 646846276 /nfs/dbraw/zinc/84/62/76/646846276.db2.gz 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COc1cc(C[N@H+]2CC[C@H](O)[C@H](CO)C2)cc(O)c1O ZINC001204343836 803079601 /nfs/dbraw/zinc/07/96/01/803079601.db2.gz SYEXXPPQCCDADU-QWRGUYRKSA-N 1 1 283.324 0.282 20 10 CCCDMO COc1cc(C[N@@H+]2CC[C@H](O)[C@@](C)(CO)C2)cc(O)c1O ZINC001204342358 803079741 /nfs/dbraw/zinc/07/97/41/803079741.db2.gz LAKCJDZGUFKGOW-DZGCQCFKSA-N 1 1 297.351 0.672 20 10 CCCDMO COc1cc(C[N@H+]2CC[C@H](O)[C@@](C)(CO)C2)cc(O)c1O ZINC001204342358 803079748 /nfs/dbraw/zinc/07/97/48/803079748.db2.gz LAKCJDZGUFKGOW-DZGCQCFKSA-N 1 1 297.351 0.672 20 10 CCCDMO CCOc1cccc(CN2C[C@H](O)[C@@H](C[NH3+])C2)c1O ZINC001206512609 803256005 /nfs/dbraw/zinc/25/60/05/803256005.db2.gz QWUYJOWFJCJQDS-RYUDHWBXSA-N 1 1 266.341 0.542 20 10 CCCDMO Cc1ccc(C)c(C[N@@H+]2C[C@@H]3C(C(N)=O)=NO[C@@H]3C2)c1O ZINC001278354047 807019917 /nfs/dbraw/zinc/01/99/17/807019917.db2.gz CVLLSNRPOSXSBE-NWDGAFQWSA-N 1 1 289.335 0.681 20 10 CCCDMO OC[C@@H](O)C[NH2+]C1CCN(Cc2ccccc2O)CC1 ZINC001252073201 807792715 /nfs/dbraw/zinc/79/27/15/807792715.db2.gz WWZUDTYUBUXRKI-AWEZNQCLSA-N 1 1 280.368 0.299 20 10 CCCDMO COc1ccc(C[N@@H+]2CCO[C@@H](C(N)=O)C2)c(O)c1 ZINC000092735828 812659132 /nfs/dbraw/zinc/65/91/32/812659132.db2.gz KGCQWBTYHHTWJX-GFCCVEGCSA-N 1 1 266.297 0.087 20 10 CCCDMO COc1ccc(C[N@H+]2CCO[C@@H](C(N)=O)C2)c(O)c1 ZINC000092735828 812659138 /nfs/dbraw/zinc/65/91/38/812659138.db2.gz KGCQWBTYHHTWJX-GFCCVEGCSA-N 1 1 266.297 0.087 20 10 CCCDMO C[N@H+]1C[C@H]2C[C@@H](C1)N(C(=O)c1cc(O)c(O)c(O)c1)C2 ZINC001270069481 813612240 /nfs/dbraw/zinc/61/22/40/813612240.db2.gz LXKFVPLBDKWXPA-SCZZXKLOSA-N 1 1 278.308 0.580 20 10 CCCDMO C[N@H+]1CC[C@@](O)(CNCc2ccc3c(c2)CCO3)C1 ZINC000702629731 819153674 /nfs/dbraw/zinc/15/36/74/819153674.db2.gz STTYMANJJAUTLE-OAHLLOKOSA-N 1 1 262.353 0.778 20 10 CCCDMO CN1CC[C@@](O)(C[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000702629731 819153678 /nfs/dbraw/zinc/15/36/78/819153678.db2.gz STTYMANJJAUTLE-OAHLLOKOSA-N 1 1 262.353 0.778 20 10 CCCDMO C[N@H+]1CC[C@](O)(CNCc2ccc3c(c2)CCO3)C1 ZINC000702629730 819154067 /nfs/dbraw/zinc/15/40/67/819154067.db2.gz STTYMANJJAUTLE-HNNXBMFYSA-N 1 1 262.353 0.778 20 10 CCCDMO CN1CC[C@](O)(C[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000702629730 819154073 /nfs/dbraw/zinc/15/40/73/819154073.db2.gz STTYMANJJAUTLE-HNNXBMFYSA-N 1 1 262.353 0.778 20 10 CCCDMO O=C1C[C@@H](C[NH2+]Cc2cc(F)cc(F)c2O)CN1 ZINC000708466679 819776376 /nfs/dbraw/zinc/77/63/76/819776376.db2.gz UFDGDUPTJSJNKP-ZETCQYMHSA-N 1 1 256.252 0.896 20 10 CCCDMO CN1CC[N@@H+](C)C[C@H]1C(=O)N1CCc2cccc(O)c2C1 ZINC001185258465 844383058 /nfs/dbraw/zinc/38/30/58/844383058.db2.gz SXOQEPPUAXLLMI-AWEZNQCLSA-N 1 1 289.379 0.523 20 10 CCCDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)Cc1ccc(O)c(O)c1 ZINC001136761695 839751886 /nfs/dbraw/zinc/75/18/86/839751886.db2.gz UHYLPMYUZPSERZ-LBPRGKRZSA-N 1 1 293.367 0.002 20 10 CCCDMO CN1C[C@@H]2C[N@@H+](Cc3c(O)cc(O)cc3O)C[C@@H]2C1=O ZINC001144508641 840067243 /nfs/dbraw/zinc/06/72/43/840067243.db2.gz TYJHJNASIHGPLS-SCZZXKLOSA-N 1 1 278.308 0.323 20 10 CCCDMO C[N@@H+](C1CN(C(=O)c2cccc(O)c2O)C1)[C@H]1CCOC1 ZINC001148219250 840766168 /nfs/dbraw/zinc/76/61/68/840766168.db2.gz YNNLACDOXCFDRG-JTQLQIEISA-N 1 1 292.335 0.643 20 10 CCCDMO Cc1cc(C)c(CNC(=O)CN2CC[NH+](C)CC2)c(O)c1 ZINC001178956034 842948777 /nfs/dbraw/zinc/94/87/77/842948777.db2.gz JRXSTACHHAOWFR-UHFFFAOYSA-N 1 1 291.395 0.873 20 10 CCCDMO COC(=O)[C@@H]1C[N@H+](Cc2ccc(O)cc2O)CCN1C ZINC001204280484 843290996 /nfs/dbraw/zinc/29/09/96/843290996.db2.gz KGBRNTPMRCGDNA-LBPRGKRZSA-N 1 1 280.324 0.387 20 10 CCCDMO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(O)cc2O)CCN1C ZINC001204280484 843291007 /nfs/dbraw/zinc/29/10/07/843291007.db2.gz KGBRNTPMRCGDNA-LBPRGKRZSA-N 1 1 280.324 0.387 20 10 CCCDMO OCC[NH2+]C1CCN(Cc2ccccc2O)CC1 ZINC000686277296 849068150 /nfs/dbraw/zinc/06/81/50/849068150.db2.gz GTDFKDCVUDQUKW-UHFFFAOYSA-N 1 1 250.342 0.939 20 10 CCCDMO CN1C[C@@H]2CC[N@@H+](Cc3c(O)cc(O)cc3O)[C@@H]2C1 ZINC001275112842 900995848 /nfs/dbraw/zinc/99/58/48/900995848.db2.gz UMTOEISIECMCAV-JOYOIKCWSA-N 1 1 264.325 0.939 20 10 CCCDMO Nc1ccc(C[N@H+]2CC[C@H](CS(N)(=O)=O)C2)cc1 ZINC001336118815 920620113 /nfs/dbraw/zinc/62/01/13/920620113.db2.gz KSZQNOWUFOKNJI-NSHDSACASA-N 1 1 269.370 0.379 20 10 CCCDMO C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCCc1ccc(N)cc1 ZINC001341242725 922398087 /nfs/dbraw/zinc/39/80/87/922398087.db2.gz RXWQPXBBAMUUOM-WFASDCNBSA-N 1 1 288.395 0.316 20 10 CCCDMO Nc1ccc(CC(=O)Nc2cc3n(n2)CC[NH2+]C3)cc1 ZINC001342912460 923131923 /nfs/dbraw/zinc/13/19/23/923131923.db2.gz DUXWWHVSGLPKOI-UHFFFAOYSA-N 1 1 271.324 0.750 20 10 CCCDMO COCC1(O)C[NH+](Cc2cccc(OC)c2O)C1 ZINC000297434249 200189145 /nfs/dbraw/zinc/18/91/45/200189145.db2.gz OWZFHFUQWQTDCJ-UHFFFAOYSA-N 1 1 253.298 0.594 20 10 CCCDMO CC(C)[NH+]1CC(NC(=O)c2cccc(O)c2O)C1 ZINC000293712507 388987175 /nfs/dbraw/zinc/98/71/75/388987175.db2.gz LYPLGKCQQDJUKU-UHFFFAOYSA-N 1 1 250.298 0.920 20 10 CCCDMO COc1c(O)c(C[NH2+]C[C@@]2(O)CCOC2)ccc1[N+](=O)[O-] ZINC000278527100 521879829 /nfs/dbraw/zinc/87/98/29/521879829.db2.gz UFFKGRVJQHVONC-ZDUSSCGKSA-N 1 1 298.295 0.550 20 10 CCCDMO COCC[N@H+]1CC[C@@H](NC(=O)NCc2ccccc2O)C1 ZINC000265612550 523866920 /nfs/dbraw/zinc/86/69/20/523866920.db2.gz OILPQUHLWPXAGV-CYBMUJFWSA-N 1 1 293.367 0.912 20 10 CCCDMO C[C@@H](C(=O)NCc1ccccc1O)N1CC[NH+](C)CC1 ZINC000263723024 524215997 /nfs/dbraw/zinc/21/59/97/524215997.db2.gz SHFQMOFKJOJOMC-LBPRGKRZSA-N 1 1 277.368 0.644 20 10 CCCDMO COC(=O)[C@@](C)(O)C[N@@H+](C)Cc1ccccc1O ZINC000788020731 581370382 /nfs/dbraw/zinc/37/03/82/581370382.db2.gz SRFTXQWMQYZXBZ-ZDUSSCGKSA-N 1 1 253.298 0.748 20 10 CCCDMO Cc1cccc(C[N@H+]2CC[C@H](S(N)(=O)=O)C2)c1O ZINC000785986745 581426403 /nfs/dbraw/zinc/42/64/03/581426403.db2.gz XEXOQDNVZLUBGF-NSHDSACASA-N 1 1 270.354 0.563 20 10 CCCDMO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](CO)[C@@H](O)C2)c1O ZINC000787996688 581484272 /nfs/dbraw/zinc/48/42/72/581484272.db2.gz NNUMIZWJGZXJNJ-YGRLFVJLSA-N 1 1 297.326 0.909 20 10 CCCDMO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](CO)[C@@H](O)C2)c1O ZINC000787996688 581484273 /nfs/dbraw/zinc/48/42/73/581484273.db2.gz NNUMIZWJGZXJNJ-YGRLFVJLSA-N 1 1 297.326 0.909 20 10 CCCDMO COCC[N@@H+](CCO)Cc1c(O)cccc1OC ZINC000769312213 581683013 /nfs/dbraw/zinc/68/30/13/581683013.db2.gz KHALKGQPMILCIQ-UHFFFAOYSA-N 1 1 255.314 0.842 20 10 CCCDMO C[NH+]1CCN(CC(=O)NCc2ccccc2O)CC1 ZINC000731872458 581786835 /nfs/dbraw/zinc/78/68/35/581786835.db2.gz LAKXEMDCOICBGU-UHFFFAOYSA-N 1 1 263.341 0.256 20 10 CCCDMO COc1c([O-])c(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000774914215 582002475 /nfs/dbraw/zinc/00/24/75/582002475.db2.gz MICGFSKGMLMKOG-GHMZBOCLSA-N 1 1 293.323 0.960 20 10 CCCDMO CC(C)NC(=O)C[N@H+](C)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768441848 582106708 /nfs/dbraw/zinc/10/67/08/582106708.db2.gz LDJCRAWWXJSXGC-CYBMUJFWSA-N 1 1 294.351 0.774 20 10 CCCDMO CC(C)NC(=O)C[N@@H+](C)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768441848 582106709 /nfs/dbraw/zinc/10/67/09/582106709.db2.gz LDJCRAWWXJSXGC-CYBMUJFWSA-N 1 1 294.351 0.774 20 10 CCCDMO CNC(=O)CCC[N@@H+](C)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768462436 582107170 /nfs/dbraw/zinc/10/71/70/582107170.db2.gz LJZHSALKHNZGTL-ZDUSSCGKSA-N 1 1 294.351 0.776 20 10 CCCDMO CN(C)c1ccc(C[N@H+]2C[C@H](CO)[C@H](CO)C2)cc1F ZINC000877764382 616014543 /nfs/dbraw/zinc/01/45/43/616014543.db2.gz CKZDXRXMPGRXEQ-BETUJISGSA-N 1 1 282.359 0.924 20 10 CCCDMO COc1c(O)c(C[NH2+]C[C@H]2COCCN2)ccc1[N+](=O)[O-] ZINC000863649755 617149331 /nfs/dbraw/zinc/14/93/31/617149331.db2.gz HWMQFQAYDOXSFN-JTQLQIEISA-N 1 1 297.311 0.387 20 10 CCCDMO Cc1cccc(C[N@@H+]2CCC[C@@](N)(CO)C2)c1O ZINC000904402779 634742529 /nfs/dbraw/zinc/74/25/29/634742529.db2.gz SFXBLZHYXWHGRP-AWEZNQCLSA-N 1 1 250.342 0.986 20 10 CCCDMO Cc1cccc(C[N@H+]2CCC[C@@](N)(CO)C2)c1O ZINC000904402779 634742535 /nfs/dbraw/zinc/74/25/35/634742535.db2.gz SFXBLZHYXWHGRP-AWEZNQCLSA-N 1 1 250.342 0.986 20 10 CCCDMO Cc1cccc(O)c1C[N@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC000897060810 632385665 /nfs/dbraw/zinc/38/56/65/632385665.db2.gz IAJNRPKZQKJZJE-NSHDSACASA-N 1 1 284.381 0.811 20 10 CCCDMO COC(=O)[C@H]1C[N@H+](Cc2ccccc2O)CCO1 ZINC000179570270 638232686 /nfs/dbraw/zinc/23/26/86/638232686.db2.gz IAEGBSZUIKTBJV-GFCCVEGCSA-N 1 1 251.282 0.766 20 10 CCCDMO COC(=O)[C@H]1C[N@@H+](Cc2ccccc2O)CCO1 ZINC000179570270 638232690 /nfs/dbraw/zinc/23/26/90/638232690.db2.gz IAEGBSZUIKTBJV-GFCCVEGCSA-N 1 1 251.282 0.766 20 10 CCCDMO Oc1cc2c(cc1C[N@@H+]1C[C@@H]3COC[C@H](C1)O3)[C@H](O)CO2 ZINC000800864026 640624031 /nfs/dbraw/zinc/62/40/31/640624031.db2.gz NJSOADDHHSOGMS-UHIISALHSA-N 1 1 293.319 0.418 20 10 CCCDMO Oc1cc2c(cc1C[N@H+]1C[C@@H]3COC[C@H](C1)O3)[C@H](O)CO2 ZINC000800864026 640624035 /nfs/dbraw/zinc/62/40/35/640624035.db2.gz NJSOADDHHSOGMS-UHIISALHSA-N 1 1 293.319 0.418 20 10 CCCDMO C[C@@H](NC(=O)[C@H]1C[N@H+](C)CCO1)c1ccccc1O ZINC000827936752 642052292 /nfs/dbraw/zinc/05/22/92/642052292.db2.gz CDGJTUWNBDGIOE-ZWNOBZJWSA-N 1 1 264.325 0.900 20 10 CCCDMO C[C@@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)c1ccccc1O ZINC000827936752 642052299 /nfs/dbraw/zinc/05/22/99/642052299.db2.gz CDGJTUWNBDGIOE-ZWNOBZJWSA-N 1 1 264.325 0.900 20 10 CCCDMO Cc1cccc(O)c1C[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000877488776 646819409 /nfs/dbraw/zinc/81/94/09/646819409.db2.gz IWOABZXDTNTSSJ-OAHLLOKOSA-N 1 1 289.335 0.875 20 10 CCCDMO NC(=O)C[C@@H]1C[C@@H]2C[N@H+](Cc3c(O)cccc3F)C[C@@H]2O1 ZINC001277483744 805721799 /nfs/dbraw/zinc/72/17/99/805721799.db2.gz AIGHGUIGEAMNJC-BFVZDQMLSA-N 1 1 294.326 0.996 20 10 CCCDMO NC(=O)C[C@@H]1C[C@@H]2C[N@@H+](Cc3c(O)cccc3F)C[C@@H]2O1 ZINC001277483744 805721802 /nfs/dbraw/zinc/72/18/02/805721802.db2.gz AIGHGUIGEAMNJC-BFVZDQMLSA-N 1 1 294.326 0.996 20 10 CCCDMO COc1cc(C[N@H+]2CCOC[C@](C)(O)C2)c(O)cc1O ZINC001231634590 805822056 /nfs/dbraw/zinc/82/20/56/805822056.db2.gz OXBSAEJNEXNSOM-CQSZACIVSA-N 1 1 283.324 0.690 20 10 CCCDMO COc1cc(O)c(C[N@@H+]2CC[C@@H]3C[C@@]32C(N)=O)c(OC)c1 ZINC001277588056 805868518 /nfs/dbraw/zinc/86/85/18/805868518.db2.gz CZZCZDFHKSBJPC-PSLIRLAXSA-N 1 1 292.335 0.859 20 10 CCCDMO COc1cc(O)c(C[N@H+]2CC[C@@H]3C[C@@]32C(N)=O)c(OC)c1 ZINC001277588056 805868528 /nfs/dbraw/zinc/86/85/28/805868528.db2.gz CZZCZDFHKSBJPC-PSLIRLAXSA-N 1 1 292.335 0.859 20 10 CCCDMO CC[N@@H+](CCC(N)=O)Cc1cc(O)c(O)c(O)c1 ZINC001233013854 806006341 /nfs/dbraw/zinc/00/63/41/806006341.db2.gz VODOZTRAFZSKIA-UHFFFAOYSA-N 1 1 254.286 0.501 20 10 CCCDMO C[N@H+]1CCCN(Cc2cc(O)c(O)cc2O)CC1 ZINC001233482276 806058973 /nfs/dbraw/zinc/05/89/73/806058973.db2.gz HUNYRSMZHMGIOM-UHFFFAOYSA-N 1 1 252.314 0.941 20 10 CCCDMO CN1CCC[N@H+](Cc2cc(O)c(O)cc2O)CC1 ZINC001233482276 806058983 /nfs/dbraw/zinc/05/89/83/806058983.db2.gz HUNYRSMZHMGIOM-UHFFFAOYSA-N 1 1 252.314 0.941 20 10 CCCDMO CN1CCC[N@@H+](Cc2cc(O)c(O)cc2O)CC1 ZINC001233482276 806058992 /nfs/dbraw/zinc/05/89/92/806058992.db2.gz HUNYRSMZHMGIOM-UHFFFAOYSA-N 1 1 252.314 0.941 20 10 CCCDMO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3cc(O)c(O)cc3O)C[C@@H]21 ZINC001233486324 806061131 /nfs/dbraw/zinc/06/11/31/806061131.db2.gz ITGBMOUOZDYWNB-WOFXILAISA-N 1 1 279.292 0.654 20 10 CCCDMO O=C([O-])c1ccc(O)c(CN2CC[NH2+]C[C@]23CC[NH2+]C3)c1 ZINC001234990883 806336041 /nfs/dbraw/zinc/33/60/41/806336041.db2.gz UJNKABLKBZGHBD-OAHLLOKOSA-N 1 1 291.351 0.228 20 10 CCCDMO Cc1cccc(CN2CCN[C@@]3(CC[NH2+]C3)C2)c1O ZINC001235059035 806359327 /nfs/dbraw/zinc/35/93/27/806359327.db2.gz CSYCHDYAWDQAJC-OAHLLOKOSA-N 1 1 261.369 0.838 20 10 CCCDMO COC(=O)[C@H]1C[N@H+](Cc2c(C)cccc2O)C[C@@H]1N ZINC001236354706 806585067 /nfs/dbraw/zinc/58/50/67/806585067.db2.gz PKVFANQMNZWYBE-RYUDHWBXSA-N 1 1 264.325 0.633 20 10 CCCDMO COC(=O)[C@H]1C[N@@H+](Cc2c(C)cccc2O)C[C@@H]1N ZINC001236354706 806585072 /nfs/dbraw/zinc/58/50/72/806585072.db2.gz PKVFANQMNZWYBE-RYUDHWBXSA-N 1 1 264.325 0.633 20 10 CCCDMO CCc1ccc(C[N@@H+]2CCO[C@@H](C(N)=O)C2)c(O)c1 ZINC001236791777 806610367 /nfs/dbraw/zinc/61/03/67/806610367.db2.gz KSUZGPWHBMWMQQ-CYBMUJFWSA-N 1 1 264.325 0.641 20 10 CCCDMO CCc1ccc(C[N@H+]2CCO[C@@H](C(N)=O)C2)c(O)c1 ZINC001236791777 806610368 /nfs/dbraw/zinc/61/03/68/806610368.db2.gz KSUZGPWHBMWMQQ-CYBMUJFWSA-N 1 1 264.325 0.641 20 10 CCCDMO COc1cc(C)c(C[NH+]2CCN(C(N)=O)CC2)c(O)c1 ZINC001236814002 806612523 /nfs/dbraw/zinc/61/25/23/806612523.db2.gz NVADTHFGCFCZLQ-UHFFFAOYSA-N 1 1 279.340 0.906 20 10 CCCDMO COC(=O)[C@@H]1C[N@H+](C)CCN1Cc1c(C)cccc1O ZINC001237496216 806674942 /nfs/dbraw/zinc/67/49/42/806674942.db2.gz XDWDJBKZIAJPJN-ZDUSSCGKSA-N 1 1 278.352 0.990 20 10 CCCDMO COC(=O)[C@@H]1C[N@@H+](C)CCN1Cc1c(C)cccc1O ZINC001237496216 806674947 /nfs/dbraw/zinc/67/49/47/806674947.db2.gz XDWDJBKZIAJPJN-ZDUSSCGKSA-N 1 1 278.352 0.990 20 10 CCCDMO COC(=O)[C@@H]1C[N@@H+](Cc2c(C)cccc2O)CCN1C ZINC001237493533 806675342 /nfs/dbraw/zinc/67/53/42/806675342.db2.gz ZLULTWDZUJEDKT-ZDUSSCGKSA-N 1 1 278.352 0.990 20 10 CCCDMO COC(=O)[C@H]1C[N@@H+](Cc2c(C)cccc2O)CCN1C ZINC001237493532 806675710 /nfs/dbraw/zinc/67/57/10/806675710.db2.gz ZLULTWDZUJEDKT-CYBMUJFWSA-N 1 1 278.352 0.990 20 10 CCCDMO Cc1cccc(O)c1C[N@H+]1CCN2C(=O)COC[C@H]2C1 ZINC001237492523 806675824 /nfs/dbraw/zinc/67/58/24/806675824.db2.gz RZMYJUJIWCVGLX-GFCCVEGCSA-N 1 1 276.336 0.744 20 10 CCCDMO OC[C@H]1CC[N@H+](Cc2c(O)cccc2F)C[C@H]1O ZINC001137832849 799690387 /nfs/dbraw/zinc/69/03/87/799690387.db2.gz KDYZWANGLJDTJG-NOZJJQNGSA-N 1 1 255.289 0.706 20 10 CCCDMO OC[C@H]1CC[N@@H+](Cc2c(O)cccc2F)C[C@H]1O ZINC001137832849 799690391 /nfs/dbraw/zinc/69/03/91/799690391.db2.gz KDYZWANGLJDTJG-NOZJJQNGSA-N 1 1 255.289 0.706 20 10 CCCDMO OC[C@@H]1CC[N@@H+](Cc2cc(F)ccc2O)C[C@H]1O ZINC001140057684 799877532 /nfs/dbraw/zinc/87/75/32/799877532.db2.gz KBNWGCXMTXCYTL-TVQRCGJNSA-N 1 1 255.289 0.706 20 10 CCCDMO COC(=O)[C@H]1C[N@H+](C)CCN1Cc1cc(C)ccc1O ZINC001140623335 799926623 /nfs/dbraw/zinc/92/66/23/799926623.db2.gz MAMYUEHLTXJUSG-CYBMUJFWSA-N 1 1 278.352 0.990 20 10 CCCDMO COC(=O)[C@H]1C[N@@H+](C)CCN1Cc1cc(C)ccc1O ZINC001140623335 799926626 /nfs/dbraw/zinc/92/66/26/799926626.db2.gz MAMYUEHLTXJUSG-CYBMUJFWSA-N 1 1 278.352 0.990 20 10 CCCDMO Cc1c(O)ccc(C[N@H+]2CC[C@H](O)[C@@H](CO)C2)c1O ZINC001140744489 799938415 /nfs/dbraw/zinc/93/84/15/799938415.db2.gz ZBCKTWBYQTYWJO-YPMHNXCESA-N 1 1 267.325 0.581 20 10 CCCDMO COc1cc(O)c(C[N@@H+](C)C[C@@H](O)CO)c(OC)c1 ZINC001141026093 799973380 /nfs/dbraw/zinc/97/33/80/799973380.db2.gz CKSIPKWIWALHMB-SECBINFHSA-N 1 1 271.313 0.194 20 10 CCCDMO CN1CCOc2cc(C[N@H+]3CC[C@@H](CO)[C@H](O)C3)ccc21 ZINC001141140240 799983846 /nfs/dbraw/zinc/98/38/46/799983846.db2.gz JUPVAASVYKMGSH-DZGCQCFKSA-N 1 1 292.379 0.690 20 10 CCCDMO OC[C@H]1CC[N@H+](Cc2cc(F)c(F)cc2O)C[C@@H]1O ZINC001142508547 800126784 /nfs/dbraw/zinc/12/67/84/800126784.db2.gz CLYXEGFTLDXEQR-OQPBUACISA-N 1 1 273.279 0.846 20 10 CCCDMO OC[C@H]1CC[N@@H+](Cc2cc(F)c(F)cc2O)C[C@@H]1O ZINC001142508547 800126788 /nfs/dbraw/zinc/12/67/88/800126788.db2.gz CLYXEGFTLDXEQR-OQPBUACISA-N 1 1 273.279 0.846 20 10 CCCDMO COC(=O)[C@H]1C[N@H+](C)CCN1Cc1cccc(OC)c1O ZINC001203601579 803036765 /nfs/dbraw/zinc/03/67/65/803036765.db2.gz BGYYYMINQCLHHA-GFCCVEGCSA-N 1 1 294.351 0.690 20 10 CCCDMO COC(=O)[C@H]1C[N@@H+](C)CCN1Cc1cccc(OC)c1O ZINC001203601579 803036773 /nfs/dbraw/zinc/03/67/73/803036773.db2.gz BGYYYMINQCLHHA-GFCCVEGCSA-N 1 1 294.351 0.690 20 10 CCCDMO COc1ccc(C[N@H+]2C[C@H]3CN(C)C(=O)[C@H]3C2)c(O)c1 ZINC001203629864 803038697 /nfs/dbraw/zinc/03/86/97/803038697.db2.gz NBTOJCRVTJWXNH-YPMHNXCESA-N 1 1 276.336 0.921 20 10 CCCDMO COc1ccc(O)c(C[N@H+]2CC[C@@](C)(CO)[C@@H](O)C2)c1 ZINC001203670209 803040975 /nfs/dbraw/zinc/04/09/75/803040975.db2.gz LGQDUHIWKVPQPC-GJZGRUSLSA-N 1 1 281.352 0.966 20 10 CCCDMO COC(=O)CO[C@H]1CC[N@@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203884605 803051373 /nfs/dbraw/zinc/05/13/73/803051373.db2.gz VMPJGTQUWKGUEK-NSHDSACASA-N 1 1 281.308 0.862 20 10 CCCDMO CN1CCC[N@@H+](Cc2ccc(O)cc2O)CC1=O ZINC001204278781 803075837 /nfs/dbraw/zinc/07/58/37/803075837.db2.gz JWRHNMAJVRRPAR-UHFFFAOYSA-N 1 1 250.298 0.762 20 10 CCCDMO [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2cc(C(=O)[O-])ccc2O)C1 ZINC001205688458 803156185 /nfs/dbraw/zinc/15/61/85/803156185.db2.gz HXOWPSMFIJPSMG-HNNXBMFYSA-N 1 1 294.351 0.766 20 10 CCCDMO COC(=O)Cc1ccc(C[N@@H+]2CCO[C@@H](CO)C2)c(O)c1 ZINC001249171819 807546355 /nfs/dbraw/zinc/54/63/55/807546355.db2.gz GEKHFMFEHNQHKW-CYBMUJFWSA-N 1 1 295.335 0.301 20 10 CCCDMO COC(=O)Cc1ccc(C[N@H+]2CCO[C@@H](CO)C2)c(O)c1 ZINC001249171819 807546360 /nfs/dbraw/zinc/54/63/60/807546360.db2.gz GEKHFMFEHNQHKW-CYBMUJFWSA-N 1 1 295.335 0.301 20 10 CCCDMO OC[C@@H]1C[C@@H](F)C[N@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233483159 816324999 /nfs/dbraw/zinc/32/49/99/816324999.db2.gz PJWBCMUKSOZJRH-PSASIEDQSA-N 1 1 271.288 0.956 20 10 CCCDMO OC[C@@H]1C[C@@H](F)C[N@@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233483159 816325007 /nfs/dbraw/zinc/32/50/07/816325007.db2.gz PJWBCMUKSOZJRH-PSASIEDQSA-N 1 1 271.288 0.956 20 10 CCCDMO CS(=O)(=O)[C@@H]1CC[N@@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144509253 840072788 /nfs/dbraw/zinc/07/27/88/840072788.db2.gz QLTLYUFYHHMPPE-SECBINFHSA-N 1 1 287.337 0.422 20 10 CCCDMO COc1ccc(O)c([C@@H](C)NC[C@@H](O)C[NH+](C)C)c1 ZINC000717404006 848255817 /nfs/dbraw/zinc/25/58/17/848255817.db2.gz LBUIKXKJIHRYAV-GHMZBOCLSA-N 1 1 268.357 0.974 20 10 CCCDMO Cc1ccc(C(=O)NCC[NH+]2CCC2)c(O)c1O ZINC001116517751 855781983 /nfs/dbraw/zinc/78/19/83/855781983.db2.gz RKOLCCCAERDELF-UHFFFAOYSA-N 1 1 250.298 0.842 20 10 CCCDMO Nc1ccc(C[N@@H+](CCO)CCN2CCOCC2)cc1 ZINC001336116551 907335501 /nfs/dbraw/zinc/33/55/01/907335501.db2.gz GCRCBYUOVHHSHM-UHFFFAOYSA-N 1 1 279.384 0.395 20 10 CCCDMO CN(C(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1)c1cn[nH]c1 ZINC001329936525 916291759 /nfs/dbraw/zinc/29/17/59/916291759.db2.gz GZEONGQDFSUSAO-MRVPVSSYSA-N 1 1 260.301 0.486 20 10 CCCDMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCc1c(O)cccc1F ZINC001349385467 924945288 /nfs/dbraw/zinc/94/52/88/924945288.db2.gz ZRCHDHWOSIFTHX-MFKMUULPSA-N 1 1 293.342 0.536 20 10 CCCDMO C[C@H](NC(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C)c1ccccc1O ZINC001350225778 925151270 /nfs/dbraw/zinc/15/12/70/925151270.db2.gz XNQGRODJTIIQIN-MBNYWOFBSA-N 1 1 289.379 0.958 20 10 CCCDMO 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ZINC001204279174 803077404 /nfs/dbraw/zinc/07/74/04/803077404.db2.gz SDQIFTMZODCAAH-UHFFFAOYSA-N 1 1 279.384 0.777 20 10 CCCDMO CN1CCN(CC[N@@H+](C)Cc2ccc(O)cc2O)CC1 ZINC001204279174 803077410 /nfs/dbraw/zinc/07/74/10/803077410.db2.gz SDQIFTMZODCAAH-UHFFFAOYSA-N 1 1 279.384 0.777 20 10 CCCDMO [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2ccc(C(=O)[O-])cc2O)C1 ZINC001205687898 803156252 /nfs/dbraw/zinc/15/62/52/803156252.db2.gz BRTPUEOVWNHVOF-HNNXBMFYSA-N 1 1 294.351 0.766 20 10 CCCDMO Cc1cc(C)c(CNC(=O)[C@@H]2COCC[NH2+]2)c(O)c1 ZINC001220825807 804676010 /nfs/dbraw/zinc/67/60/10/804676010.db2.gz RZSOVDPOBKISIA-LBPRGKRZSA-N 1 1 264.325 0.614 20 10 CCCDMO COC(=O)Cc1ccc(C[NH+]2CC(NC(C)=O)C2)c(O)c1 ZINC001249201291 807546147 /nfs/dbraw/zinc/54/61/47/807546147.db2.gz NECNPFXCEGFXJU-UHFFFAOYSA-N 1 1 292.335 0.428 20 10 CCCDMO CN1C[C@@]2(CC[N@@H+](Cc3cc(O)ccc3O)C2)OCC1=O ZINC001272386862 816379351 /nfs/dbraw/zinc/37/93/51/816379351.db2.gz OQXBSZGCSOEKQJ-OAHLLOKOSA-N 1 1 292.335 0.531 20 10 CCCDMO COC(=O)[C@H]1C[N@H+](Cc2cccc(C)c2O)C[C@@H]1N ZINC001236351246 817281517 /nfs/dbraw/zinc/28/15/17/817281517.db2.gz KKRVDDIEMYUDHW-RYUDHWBXSA-N 1 1 264.325 0.633 20 10 CCCDMO COC(=O)[C@H]1C[N@@H+](Cc2cccc(C)c2O)C[C@@H]1N ZINC001236351246 817281523 /nfs/dbraw/zinc/28/15/23/817281523.db2.gz KKRVDDIEMYUDHW-RYUDHWBXSA-N 1 1 264.325 0.633 20 10 CCCDMO COc1cccc(C[N@H+]2CC[C@@H](O)[C@H](CO)C2)c1O ZINC001203585575 844222233 /nfs/dbraw/zinc/22/22/33/844222233.db2.gz PLIXZZFEKQPUEE-NWDGAFQWSA-N 1 1 267.325 0.576 20 10 CCCDMO Cc1cc(C)c(CNC(=O)[C@H]2C[N@H+](C)CCN2C)c(O)c1 ZINC001185266934 844389282 /nfs/dbraw/zinc/38/92/82/844389282.db2.gz JRXIOWWBRQGSBN-CQSZACIVSA-N 1 1 291.395 0.871 20 10 CCCDMO O=C(C[N@H+]1CC[C@H](O)C1)N1CCc2cccc(O)c2C1 ZINC001186046005 844494973 /nfs/dbraw/zinc/49/49/73/844494973.db2.gz XZUGEGGPJCWDMP-LBPRGKRZSA-N 1 1 276.336 0.344 20 10 CCCDMO O=C(C[N@@H+]1CC[C@H](O)C1)N1CCc2cccc(O)c2C1 ZINC001186046005 844494976 /nfs/dbraw/zinc/49/49/76/844494976.db2.gz XZUGEGGPJCWDMP-LBPRGKRZSA-N 1 1 276.336 0.344 20 10 CCCDMO C[N@@H+](CC(=O)N1CCOCC1)Cc1c(O)cc(O)cc1O ZINC001144500311 840067539 /nfs/dbraw/zinc/06/75/39/840067539.db2.gz RVXXPPDUZWBKHD-UHFFFAOYSA-N 1 1 296.323 0.094 20 10 CCCDMO C[C@H]1CN(C)C(=O)C[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144515587 840073880 /nfs/dbraw/zinc/07/38/80/840073880.db2.gz RGSJDUTXENMSBC-QMMMGPOBSA-N 1 1 266.297 0.466 20 10 CCCDMO C[C@H]1CN(C)C(=O)C[N@H+]1Cc1c(O)cc(O)cc1O ZINC001144515587 840073888 /nfs/dbraw/zinc/07/38/88/840073888.db2.gz RGSJDUTXENMSBC-QMMMGPOBSA-N 1 1 266.297 0.466 20 10 CCCDMO CN(C)C1(C)C[NH+](Cc2c(O)cc(O)cc2O)C1 ZINC001144514683 840074611 /nfs/dbraw/zinc/07/46/11/840074611.db2.gz OUYQXKQNMWQUHW-UHFFFAOYSA-N 1 1 252.314 0.939 20 10 CCCDMO CC(=O)N[C@@H]1CC[N@@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144515578 840074789 /nfs/dbraw/zinc/07/47/89/840074789.db2.gz QZWMOMMRAUMHGA-SECBINFHSA-N 1 1 266.297 0.514 20 10 CCCDMO C[N@@H+](CC(=O)NCc1c(O)cccc1O)[C@@H]1CCC[C@H]1O ZINC001178917521 842940408 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COC(=O)[C@@H]1[C@H](O)CCC[N@@H+]1Cc1ccccc1O ZINC000188788562 351628325 /nfs/dbraw/zinc/62/83/25/351628325.db2.gz SCKLWGYCABQREK-OLZOCXBDSA-N 1 1 265.309 0.891 20 10 CCCDMO COC(=O)[C@@H]1[C@H](O)CCC[N@H+]1Cc1ccccc1O ZINC000188788562 351628328 /nfs/dbraw/zinc/62/83/28/351628328.db2.gz SCKLWGYCABQREK-OLZOCXBDSA-N 1 1 265.309 0.891 20 10 CCCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCOCCO)c1 ZINC000273420136 353111748 /nfs/dbraw/zinc/11/17/48/353111748.db2.gz RXURLOPLGGDACP-JTQLQIEISA-N 1 1 283.324 0.838 20 10 CCCDMO C[C@H]1OCC[NH2+][C@@H]1C(=O)NCc1ccc(N(C)C)cc1 ZINC000284827704 353557777 /nfs/dbraw/zinc/55/77/77/353557777.db2.gz KAFQTCKXEPYQET-RISCZKNCSA-N 1 1 277.368 0.746 20 10 CCCDMO CNS(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000371464005 357370206 /nfs/dbraw/zinc/37/02/06/357370206.db2.gz NHACBQROPLTMTO-LBPRGKRZSA-N 1 1 284.381 0.906 20 10 CCCDMO CNC(=O)[C@@H]1C[N@H+](Cc2cccc(OC)c2O)CCO1 ZINC000182432378 389707950 /nfs/dbraw/zinc/70/79/50/389707950.db2.gz BZKWOHJVVJKVRG-LBPRGKRZSA-N 1 1 280.324 0.348 20 10 CCCDMO CNC(=O)[C@@H]1C[N@@H+](Cc2cccc(OC)c2O)CCO1 ZINC000182432378 389707952 /nfs/dbraw/zinc/70/79/52/389707952.db2.gz BZKWOHJVVJKVRG-LBPRGKRZSA-N 1 1 280.324 0.348 20 10 CCCDMO COC[C@@H](CO)[NH2+][C@H](C)c1cc(C(=O)OC)ccc1O ZINC000280950613 328237450 /nfs/dbraw/zinc/23/74/50/328237450.db2.gz JPYMRDYDFHXNIP-MWLCHTKSSA-N 1 1 283.324 0.837 20 10 CCCDMO O=C(NCC[NH+]1CCSCC1)c1cccc(O)c1O ZINC000229315591 333303485 /nfs/dbraw/zinc/30/34/85/333303485.db2.gz NSODIMIVIFDJAE-UHFFFAOYSA-N 1 1 282.365 0.876 20 10 CCCDMO CN(C)c1ccc(CNC(=O)CN2CC[NH+](C)CC2)cc1 ZINC000022885362 522190619 /nfs/dbraw/zinc/19/06/19/522190619.db2.gz BHBCDCKNYAPLFF-UHFFFAOYSA-N 1 1 290.411 0.616 20 10 CCCDMO COCC[N@@H+](C)CCNC(=O)NCc1ccccc1O ZINC000263777673 523592278 /nfs/dbraw/zinc/59/22/78/523592278.db2.gz OMXGAUHIJGMBCN-UHFFFAOYSA-N 1 1 281.356 0.770 20 10 CCCDMO O=C1NC(=O)N2CC[N@H+](Cc3ccccc3O)C[C@H]12 ZINC000761215824 581897374 /nfs/dbraw/zinc/89/73/74/581897374.db2.gz JBOARNPJXPOVAX-SNVBAGLBSA-N 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UHOKGDLOTYBKOI-VXGBXAGGSA-N 1 1 297.351 0.585 20 10 CCCDMO COc1ccc(CNC(=O)NC[C@@H]2CC[N@H+]2C)c(O)c1 ZINC000925426534 617254618 /nfs/dbraw/zinc/25/46/18/617254618.db2.gz VPIRLPHVKVJDGJ-NSHDSACASA-N 1 1 279.340 0.904 20 10 CCCDMO COc1cccc(C[N@H+]2CCC(CO)(CO)C2)c1O ZINC000827475340 617297397 /nfs/dbraw/zinc/29/73/97/617297397.db2.gz YIKQJCADMSNFHS-UHFFFAOYSA-N 1 1 267.325 0.578 20 10 CCCDMO COc1cccc(CNC(=O)NC[C@H]2CC[N@H+]2C)c1O ZINC000925411002 617299045 /nfs/dbraw/zinc/29/90/45/617299045.db2.gz LZNPUSKIMKRIFU-LLVKDONJSA-N 1 1 279.340 0.904 20 10 CCCDMO COc1cccc(O)c1CN1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000848926324 617305375 /nfs/dbraw/zinc/30/53/75/617305375.db2.gz OZAWFCDLOUOVSD-NWDGAFQWSA-N 1 1 278.352 0.652 20 10 CCCDMO CN(C)c1ccc(C[N@H+]2CC[C@@H](CO)[C@@H](O)C2)cc1 ZINC000808751107 616014663 /nfs/dbraw/zinc/01/46/63/616014663.db2.gz RERWXMMXUDJYRH-ZFWWWQNUSA-N 1 1 264.369 0.928 20 10 CCCDMO CN(C)c1ccc(C[N@H+](C)CCS(N)(=O)=O)cc1F ZINC000877826453 616121452 /nfs/dbraw/zinc/12/14/52/616121452.db2.gz BEPMKRREYCXSFP-UHFFFAOYSA-N 1 1 289.376 0.612 20 10 CCCDMO CN(C)c1ccc(C[N@@H+](C)CCS(N)(=O)=O)cc1F ZINC000877826453 616121453 /nfs/dbraw/zinc/12/14/53/616121453.db2.gz BEPMKRREYCXSFP-UHFFFAOYSA-N 1 1 289.376 0.612 20 10 CCCDMO C[N@@H+](Cc1cc2c(cc1O)OCO2)[C@H]1C[C@@H](C(N)=O)C1 ZINC000863321928 616164982 /nfs/dbraw/zinc/16/49/82/616164982.db2.gz ISOHZORLFQYGEW-WAAGHKOSSA-N 1 1 278.308 0.817 20 10 CCCDMO CN(C)c1ccc(CN2CC[N@@H+](C)C[C@@H]2CO)cc1F ZINC000877643838 616245088 /nfs/dbraw/zinc/24/50/88/616245088.db2.gz JXLGLABYOUFANP-CYBMUJFWSA-N 1 1 281.375 1.000 20 10 CCCDMO COc1ccc(N2CCC[N@H+](CC(N)=O)CC2)cc1 ZINC000048599664 624786003 /nfs/dbraw/zinc/78/60/03/624786003.db2.gz UJFAZFYFMSRYGA-UHFFFAOYSA-N 1 1 263.341 0.693 20 10 CCCDMO COc1ccc(N2CCC[N@@H+](CC(N)=O)CC2)cc1 ZINC000048599664 624786004 /nfs/dbraw/zinc/78/60/04/624786004.db2.gz UJFAZFYFMSRYGA-UHFFFAOYSA-N 1 1 263.341 0.693 20 10 CCCDMO CN1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000096942575 625012149 /nfs/dbraw/zinc/01/21/49/625012149.db2.gz YUTAGFZQYXPHJJ-UHFFFAOYSA-N 1 1 250.298 0.868 20 10 CCCDMO C[C@@H]([NH2+]C[C@@]1(CO)COCCN1C)c1ccc(F)cc1O ZINC000903283903 634547012 /nfs/dbraw/zinc/54/70/12/634547012.db2.gz YBQLRKKTTXZLCK-IAQYHMDHSA-N 1 1 298.358 0.875 20 10 CCCDMO Cc1ccc(O)c(C[N@H+]2C[C@H](O)C[C@H]2C(N)=O)c1 ZINC000895367356 632068125 /nfs/dbraw/zinc/06/81/25/632068125.db2.gz DBTJGRSXXVNOGQ-MNOVXSKESA-N 1 1 250.298 0.121 20 10 CCCDMO Cc1cccc(C[N@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)c1O ZINC000824893234 641851681 /nfs/dbraw/zinc/85/16/81/641851681.db2.gz NUYREHUXGJIVGB-PHIMTYICSA-N 1 1 260.293 0.405 20 10 CCCDMO Cc1cc(N(C)C)ccc1CN(C)C[C@@H](O)C[NH3+] ZINC000841091808 642803370 /nfs/dbraw/zinc/80/33/70/642803370.db2.gz GUJRXJANESHPTC-AWEZNQCLSA-N 1 1 251.374 0.812 20 10 CCCDMO O=C(c1cccc(O)c1O)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000861715887 644916858 /nfs/dbraw/zinc/91/68/58/644916858.db2.gz RAUCNGAOIPEVKQ-QWRGUYRKSA-N 1 1 292.335 0.379 20 10 CCCDMO Cc1ccc(C[N@H+]2CC[C@@H](NS(C)(=O)=O)C2)c(O)c1 ZINC000876749640 646656676 /nfs/dbraw/zinc/65/66/76/646656676.db2.gz BTZGAUUSFSBGTF-GFCCVEGCSA-N 1 1 284.381 0.824 20 10 CCCDMO OC[C@@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)C[C@@H]1O ZINC000930699855 648891284 /nfs/dbraw/zinc/89/12/84/648891284.db2.gz LNWBKIYOOJSYOD-HOCLYGCPSA-N 1 1 292.379 0.308 20 10 CCCDMO COc1cccc(C[N@@H+]2C[C@@H]3C(C(N)=O)=NO[C@@H]3C2)c1O ZINC001277451822 805590293 /nfs/dbraw/zinc/59/02/93/805590293.db2.gz IMUGAZOOKVASJI-GXSJLCMTSA-N 1 1 291.307 0.073 20 10 CCCDMO COc1cccc(C[N@H+]2CC[C@@H]3C[C@@]32C(N)=O)c1O ZINC001277451879 805591124 /nfs/dbraw/zinc/59/11/24/805591124.db2.gz LGOATFTZFNQFTA-YGRLFVJLSA-N 1 1 262.309 0.851 20 10 CCCDMO COC[C@@H]1C[N@H+](Cc2cc(OC)c(O)cc2O)CCO1 ZINC001231639556 805825299 /nfs/dbraw/zinc/82/52/99/805825299.db2.gz UBQAOIHDWLFINC-NSHDSACASA-N 1 1 283.324 0.954 20 10 CCCDMO COC[C@@H]1C[N@@H+](Cc2cc(OC)c(O)cc2O)CCO1 ZINC001231639556 805825309 /nfs/dbraw/zinc/82/53/09/805825309.db2.gz UBQAOIHDWLFINC-NSHDSACASA-N 1 1 283.324 0.954 20 10 CCCDMO OC[C@H]1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cc(O)c(O)cc1O ZINC001233483202 806059545 /nfs/dbraw/zinc/05/95/45/806059545.db2.gz QTBSKFPEVRCNDU-ISOBSLSZSA-N 1 1 295.335 0.775 20 10 CCCDMO OC[C@H]1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cc(O)c(O)cc1O ZINC001233483202 806059556 /nfs/dbraw/zinc/05/95/56/806059556.db2.gz QTBSKFPEVRCNDU-ISOBSLSZSA-N 1 1 295.335 0.775 20 10 CCCDMO CC(=O)N1CCC2(C[NH+](Cc3cc(O)c(O)cc3O)C2)C1 ZINC001233484933 806062631 /nfs/dbraw/zinc/06/26/31/806062631.db2.gz CLPSPXZSBQPLQZ-UHFFFAOYSA-N 1 1 292.335 0.858 20 10 CCCDMO COC(=O)CC[N@@H+](C)Cc1cc(O)c(O)cc1O ZINC001233487121 806064789 /nfs/dbraw/zinc/06/47/89/806064789.db2.gz QVZAOSZFEGTZHJ-UHFFFAOYSA-N 1 1 255.270 0.798 20 10 CCCDMO COC(=O)[C@H]1C[N@H+](Cc2ccc(O)c(C)c2O)C[C@@H]1N ZINC001236351329 806581839 /nfs/dbraw/zinc/58/18/39/806581839.db2.gz UJPFNTZNGAGCJP-QWRGUYRKSA-N 1 1 280.324 0.338 20 10 CCCDMO COC(=O)[C@H]1C[N@@H+](Cc2ccc(O)c(C)c2O)C[C@@H]1N ZINC001236351329 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COc1cccc(C[N@H+]2CC[C@@H](O)[C@](C)(CO)C2)c1O ZINC001203589047 803035905 /nfs/dbraw/zinc/03/59/05/803035905.db2.gz BXJMKOBQSVIALC-HIFRSBDPSA-N 1 1 281.352 0.966 20 10 CCCDMO COc1ccc(C[N@@H+]2CCO[C@@H](CO)C2)c(O)c1 ZINC001203621192 803039061 /nfs/dbraw/zinc/03/90/61/803039061.db2.gz PBQDNKMXAWVFRU-GFCCVEGCSA-N 1 1 253.298 0.594 20 10 CCCDMO COc1ccc(C[N@H+]2CCO[C@@H](CO)C2)c(O)c1 ZINC001203621192 803039071 /nfs/dbraw/zinc/03/90/71/803039071.db2.gz PBQDNKMXAWVFRU-GFCCVEGCSA-N 1 1 253.298 0.594 20 10 CCCDMO CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(O)cc2O)C1 ZINC001204277386 803076094 /nfs/dbraw/zinc/07/60/94/803076094.db2.gz CEBNYWCFOTZARS-NSHDSACASA-N 1 1 250.298 0.808 20 10 CCCDMO OC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccc(Cl)cc1O ZINC001205438170 803141995 /nfs/dbraw/zinc/14/19/95/803141995.db2.gz NVBHUQMFUKVRKW-QWRGUYRKSA-N 1 1 257.717 0.973 20 10 CCCDMO [NH3+][C@@H]1CN(Cc2cccc(Cl)c2O)CC[C@H]1O ZINC001206097373 803206683 /nfs/dbraw/zinc/20/66/83/803206683.db2.gz OUAHLUCVTDPMRM-GHMZBOCLSA-N 1 1 256.733 0.940 20 10 CCCDMO [NH3+]C[C@H]1CN(Cc2cc(Cl)cc(F)c2O)C[C@H]1O ZINC001206490392 803253322 /nfs/dbraw/zinc/25/33/22/803253322.db2.gz BGBOIGITRGGVJT-GZMMTYOYSA-N 1 1 274.723 0.936 20 10 CCCDMO COc1cc(C)c(C[N@H+]2CCC(CO)(CO)C2)c(O)c1 ZINC001206839184 803291810 /nfs/dbraw/zinc/29/18/10/803291810.db2.gz UQPJWQSGPNSSMG-UHFFFAOYSA-N 1 1 281.352 0.886 20 10 CCCDMO COc1ccc(C[NH+]2CCN(CC(N)=O)CC2)c(O)c1 ZINC000179837754 803754814 /nfs/dbraw/zinc/75/48/14/803754814.db2.gz QOYIARWQQRQMMC-UHFFFAOYSA-N 1 1 279.340 0.004 20 10 CCCDMO CC(=O)c1cc(F)cc(C[N@@H+]2C[C@@H](O)[C@H](CO)C2)c1O ZINC000316401566 804698420 /nfs/dbraw/zinc/69/84/20/804698420.db2.gz HDHIXPCDKVICSD-GXFFZTMASA-N 1 1 283.299 0.519 20 10 CCCDMO CC(=O)c1cc(F)cc(C[N@H+]2C[C@@H](O)[C@H](CO)C2)c1O ZINC000316401566 804698423 /nfs/dbraw/zinc/69/84/23/804698423.db2.gz HDHIXPCDKVICSD-GXFFZTMASA-N 1 1 283.299 0.519 20 10 CCCDMO CNC(=O)C[N@@H+](C)Cc1ccc(CC(=O)OC)cc1O ZINC001249171884 807546340 /nfs/dbraw/zinc/54/63/40/807546340.db2.gz HHOCTAIFOXOJBJ-UHFFFAOYSA-N 1 1 280.324 0.286 20 10 CCCDMO COC(=O)[C@H](Cc1ccc(O)c(O)c1)N[C@@H]1CC[N@@H+](C)C1 ZINC001255414203 808356648 /nfs/dbraw/zinc/35/66/48/808356648.db2.gz VEROPHBWSJLOAN-NEPJUHHUSA-N 1 1 294.351 0.476 20 10 CCCDMO C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)Cc1ccc(O)c(O)c1 ZINC001270577597 813819968 /nfs/dbraw/zinc/81/99/68/813819968.db2.gz YDSQNSVLDDRCQD-RYUDHWBXSA-N 1 1 276.336 0.945 20 10 CCCDMO CO[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000697268569 814757318 /nfs/dbraw/zinc/75/73/18/814757318.db2.gz AHIXRVPXHAAKDE-KGLIPLIRSA-N 1 1 298.408 0.654 20 10 CCCDMO COC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1c(O)cc(F)cc1F ZINC001236197110 817156999 /nfs/dbraw/zinc/15/69/99/817156999.db2.gz GLDIRWNTXIMQDK-KCJUWKMLSA-N 1 1 286.278 0.745 20 10 CCCDMO C[C@H]([NH3+])C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000169808995 819335686 /nfs/dbraw/zinc/33/56/86/819335686.db2.gz KHHMAISVFRYDLQ-LBPRGKRZSA-N 1 1 276.384 0.402 20 10 CCCDMO O=C1C[C@H](C[NH2+]Cc2cc(F)cc(F)c2O)CN1 ZINC000708466678 819776041 /nfs/dbraw/zinc/77/60/41/819776041.db2.gz UFDGDUPTJSJNKP-SSDOTTSWSA-N 1 1 256.252 0.896 20 10 CCCDMO CS(=O)(=O)NCC[NH2+]Cc1cc(F)cc(F)c1O ZINC000708465373 819776639 /nfs/dbraw/zinc/77/66/39/819776639.db2.gz GZPNKKKFDXDOCQ-UHFFFAOYSA-N 1 1 280.296 0.309 20 10 CCCDMO C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCc1ccccc1O ZINC000828637475 821796146 /nfs/dbraw/zinc/79/61/46/821796146.db2.gz YODXOTQMCUTSQG-SMDDNHRTSA-N 1 1 264.325 0.464 20 10 CCCDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)Cc1ccc(O)c(O)c1 ZINC001136761694 839751777 /nfs/dbraw/zinc/75/17/77/839751777.db2.gz UHYLPMYUZPSERZ-GFCCVEGCSA-N 1 1 293.367 0.002 20 10 CCCDMO CN(C)[C@H]1CC[N@@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144499392 840065772 /nfs/dbraw/zinc/06/57/72/840065772.db2.gz FRRLSCTZUFCRHX-VIFPVBQESA-N 1 1 252.314 0.939 20 10 CCCDMO C[NH+](C)[C@H]1CCN(Cc2c(O)cc(O)cc2O)C1 ZINC001144499392 840065779 /nfs/dbraw/zinc/06/57/79/840065779.db2.gz FRRLSCTZUFCRHX-VIFPVBQESA-N 1 1 252.314 0.939 20 10 CCCDMO O=C1NCC[C@]12CC[N@H+](Cc1c(O)cc(O)cc1O)C2 ZINC001144503719 840069594 /nfs/dbraw/zinc/06/95/94/840069594.db2.gz AWCMZHIYHGZUMB-CQSZACIVSA-N 1 1 278.308 0.515 20 10 CCCDMO COc1ccc(CN2C[C@H](O)[C@@H](C[NH3+])C2)c(O)c1 ZINC001206513050 843824761 /nfs/dbraw/zinc/82/47/61/843824761.db2.gz XNRZXKDSEGNJIQ-GWCFXTLKSA-N 1 1 252.314 0.152 20 10 CCCDMO C[C@@H]([NH3+])CC(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC001331418479 917318494 /nfs/dbraw/zinc/31/84/94/917318494.db2.gz FMTFVLZNQKDAOP-CYBMUJFWSA-N 1 1 290.411 0.792 20 10 CCCDMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N(C)c1ccc(N)cc1 ZINC001340847476 922242485 /nfs/dbraw/zinc/24/24/85/922242485.db2.gz KFDWDGYELKHCSA-RISCZKNCSA-N 1 1 274.368 0.620 20 10 CCCDMO CCOC(=O)CN(C)C(=O)C[N@@H+](C)Cc1ccccc1O ZINC000111236349 349767603 /nfs/dbraw/zinc/76/76/03/349767603.db2.gz CTLGLVMCWIJPCD-UHFFFAOYSA-N 1 1 294.351 0.846 20 10 CCCDMO Cc1cccc(C[N@H+]2CCN3C(=O)NC[C@@H]3C2)c1O ZINC000124611106 350102323 /nfs/dbraw/zinc/10/23/23/350102323.db2.gz SHJOTIDTYCSKQE-GFCCVEGCSA-N 1 1 261.325 0.910 20 10 CCCDMO COC(=O)[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1O ZINC000188616634 351612441 /nfs/dbraw/zinc/61/24/41/351612441.db2.gz NDMYXSDPBAHBRA-WDEREUQCSA-N 1 1 251.282 0.500 20 10 CCCDMO COC(=O)[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1O ZINC000188616634 351612446 /nfs/dbraw/zinc/61/24/46/351612446.db2.gz NDMYXSDPBAHBRA-WDEREUQCSA-N 1 1 251.282 0.500 20 10 CCCDMO COc1cccc(C[NH+]2CCN(C[C@H](C)O)CC2)c1O ZINC000189837891 351704972 /nfs/dbraw/zinc/70/49/72/351704972.db2.gz PMALOKPBGDCXQD-LBPRGKRZSA-N 1 1 280.368 0.899 20 10 CCCDMO COCC[N@H+](Cc1cc2c(cc1O)OCO2)[C@@H](C)C(N)=O ZINC000271147514 389439266 /nfs/dbraw/zinc/43/92/66/389439266.db2.gz BKLGHGMWVYRTGA-VIFPVBQESA-N 1 1 296.323 0.443 20 10 CCCDMO COCC[N@@H+](Cc1cc2c(cc1O)OCO2)[C@@H](C)C(N)=O ZINC000271147514 389439269 /nfs/dbraw/zinc/43/92/69/389439269.db2.gz BKLGHGMWVYRTGA-VIFPVBQESA-N 1 1 296.323 0.443 20 10 CCCDMO C[C@@H](O)C[N@H+]1CCN(C(=O)Cc2ccc(N)cc2)C[C@@H]1C ZINC000167978514 389447087 /nfs/dbraw/zinc/44/70/87/389447087.db2.gz WBJDJJXNWQSOLR-QWHCGFSZSA-N 1 1 291.395 0.725 20 10 CCCDMO C[C@@H]1C[N@@H+](Cc2ccccc2O)C[C@@H](C(N)=O)O1 ZINC000179586358 389660062 /nfs/dbraw/zinc/66/00/62/389660062.db2.gz PIZGVRSYQXZKAC-SKDRFNHKSA-N 1 1 250.298 0.467 20 10 CCCDMO COc1cccc(C[N@@H+](C)CCOCCO)c1O ZINC000282697224 263078202 /nfs/dbraw/zinc/07/82/02/263078202.db2.gz JMKQMCCEOUKKFH-UHFFFAOYSA-N 1 1 255.314 0.842 20 10 CCCDMO C[N@@H+](CCC(N)=O)Cc1cc2c(cc1O)OCO2 ZINC000289678314 522698402 /nfs/dbraw/zinc/69/84/02/522698402.db2.gz NUVOBUFSKKGFRY-UHFFFAOYSA-N 1 1 252.270 0.428 20 10 CCCDMO CN(C)c1ccc(C[N@@H+]2CCN3C(=O)NC(=O)[C@H]3C2)cc1 ZINC000779432933 581185480 /nfs/dbraw/zinc/18/54/80/581185480.db2.gz LYSRQRWUDXUPGW-CYBMUJFWSA-N 1 1 288.351 0.489 20 10 CCCDMO CN(C)c1ccc(C[N@H+]2CCN3C(=O)NC(=O)[C@H]3C2)cc1 ZINC000779432933 581185482 /nfs/dbraw/zinc/18/54/82/581185482.db2.gz LYSRQRWUDXUPGW-CYBMUJFWSA-N 1 1 288.351 0.489 20 10 CCCDMO CN(C)c1ccc(C[N@H+]2CC[C@H](S(N)(=O)=O)C2)cc1 ZINC000785985691 581426332 /nfs/dbraw/zinc/42/63/32/581426332.db2.gz QDHIYMIGPXQJEM-ZDUSSCGKSA-N 1 1 283.397 0.615 20 10 CCCDMO NS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC000785986824 581426377 /nfs/dbraw/zinc/42/63/77/581426377.db2.gz YTJNITIBUFZXBS-SNVBAGLBSA-N 1 1 256.327 0.255 20 10 CCCDMO COc1cccc(O)c1C[NH+]1CCN(C[C@H](C)O)CC1 ZINC000769327865 581684244 /nfs/dbraw/zinc/68/42/44/581684244.db2.gz NFWYKYJHUKCVFB-LBPRGKRZSA-N 1 1 280.368 0.899 20 10 CCCDMO Cc1cccc(C[N@H+]2CCC[C@@H]2CS(N)(=O)=O)c1O ZINC000775697333 582034157 /nfs/dbraw/zinc/03/41/57/582034157.db2.gz ZMOWSJQABVEWSZ-GFCCVEGCSA-N 1 1 284.381 0.954 20 10 CCCDMO COc1ccc(O)c(C[N@@H+]2C[C@@H](CO)OC[C@@H]2C)c1 ZINC000775742349 582035926 /nfs/dbraw/zinc/03/59/26/582035926.db2.gz UMTWAXKKEBXLSJ-GWCFXTLKSA-N 1 1 267.325 0.982 20 10 CCCDMO COc1ccc(O)c(C[N@H+]2C[C@@H](CO)OC[C@@H]2C)c1 ZINC000775742349 582035927 /nfs/dbraw/zinc/03/59/27/582035927.db2.gz UMTWAXKKEBXLSJ-GWCFXTLKSA-N 1 1 267.325 0.982 20 10 CCCDMO COc1cc(O)c(C[N@@H+](C)[C@H]2CCNC2=O)cc1OC ZINC000768464916 582107107 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CCOc1ccc(C[N@H+]2CCN(C)C[C@@H]2CO)c(O)c1 ZINC000877644769 615510547 /nfs/dbraw/zinc/51/05/47/615510547.db2.gz SYFOUHKWNBBEOJ-CYBMUJFWSA-N 1 1 280.368 0.899 20 10 CCCDMO CCOc1ccc(CN2CC[N@H+](C)C[C@@H]2CO)c(O)c1 ZINC000877644769 615510549 /nfs/dbraw/zinc/51/05/49/615510549.db2.gz SYFOUHKWNBBEOJ-CYBMUJFWSA-N 1 1 280.368 0.899 20 10 CCCDMO CCOc1ccc(CN2CC[N@@H+](C)C[C@@H]2CO)c(O)c1 ZINC000877644769 615510551 /nfs/dbraw/zinc/51/05/51/615510551.db2.gz SYFOUHKWNBBEOJ-CYBMUJFWSA-N 1 1 280.368 0.899 20 10 CCCDMO CCOc1cccc(C[N@H+]2C[C@@H](O)[C@H](OC)C2)c1O ZINC000825016966 615516374 /nfs/dbraw/zinc/51/63/74/615516374.db2.gz KBGHNLRBXNBHFY-DGCLKSJQSA-N 1 1 267.325 0.982 20 10 CCCDMO CCOc1cccc(CN2CCNCC[NH2+]CC2)c1O ZINC000904398229 615516389 /nfs/dbraw/zinc/51/63/89/615516389.db2.gz OAPLSWXTZCJTEW-UHFFFAOYSA-N 1 1 279.384 0.786 20 10 CCCDMO CN(C)c1ccc(/C=C\C[N@@H+]2C[C@H](O)C[C@H]2C(N)=O)cc1 ZINC000895371933 616011484 /nfs/dbraw/zinc/01/14/84/616011484.db2.gz ZSNBTGWBQXDBMO-OVNWPICBSA-N 1 1 289.379 0.686 20 10 CCCDMO CN(C)c1ccc(/C=C\C[N@H+]2C[C@H](O)C[C@H]2C(N)=O)cc1 ZINC000895371933 616011485 /nfs/dbraw/zinc/01/14/85/616011485.db2.gz ZSNBTGWBQXDBMO-OVNWPICBSA-N 1 1 289.379 0.686 20 10 CCCDMO CN(C)c1ccc(/C=C/C[N@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)cc1 ZINC000835055315 616011493 /nfs/dbraw/zinc/01/14/93/616011493.db2.gz UQQNMONDFWIDSR-MRINAFOASA-N 1 1 299.374 0.970 20 10 CCCDMO CN(C)c1ccc(C[N@H+]2C[C@H](CO)[C@H](CO)C2)cc1 ZINC000877764789 616014620 /nfs/dbraw/zinc/01/46/20/616014620.db2.gz PGHVCSRLPGYWLJ-OKILXGFUSA-N 1 1 264.369 0.785 20 10 CCCDMO COC[C@@H]1C[C@@H](O)C[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000846047045 616992117 /nfs/dbraw/zinc/99/21/17/616992117.db2.gz IDBISCZVTPMGOE-WDEREUQCSA-N 1 1 281.308 0.703 20 10 CCCDMO CNS(=O)(=O)CC[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886597137 617021583 /nfs/dbraw/zinc/02/15/83/617021583.db2.gz XKRFPWOVDPWTPU-QMMMGPOBSA-N 1 1 276.333 0.731 20 10 CCCDMO COc1cc(C)cc(C[N@@H+]2CCO[C@H](C(N)=O)C2)c1O ZINC000164234064 636862960 /nfs/dbraw/zinc/86/29/60/636862960.db2.gz AUZLSRKBJFUHNF-LBPRGKRZSA-N 1 1 280.324 0.395 20 10 CCCDMO COc1cc(C)cc(C[N@H+]2CCO[C@H](C(N)=O)C2)c1O ZINC000164234064 636862964 /nfs/dbraw/zinc/86/29/64/636862964.db2.gz AUZLSRKBJFUHNF-LBPRGKRZSA-N 1 1 280.324 0.395 20 10 CCCDMO Cc1cc(C)c(O)c(C[N@H+]2CCO[C@@H](C(N)=O)C2)c1 ZINC000164233933 636863295 /nfs/dbraw/zinc/86/32/95/636863295.db2.gz QTOVHDNYEFBTOX-GFCCVEGCSA-N 1 1 264.325 0.695 20 10 CCCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000840938021 642798606 /nfs/dbraw/zinc/79/86/06/642798606.db2.gz CCLIPRYGVYQKRN-CQSZACIVSA-N 1 1 297.424 0.924 20 10 CCCDMO Cn1cnnc1N1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000848924870 643690108 /nfs/dbraw/zinc/69/01/08/643690108.db2.gz FIMPDQRMRZDLGX-UHFFFAOYSA-N 1 1 291.330 0.982 20 10 CCCDMO OCC[NH+](CCO)Cc1cc(Cl)c(F)cc1O ZINC000862429132 644999014 /nfs/dbraw/zinc/99/90/14/644999014.db2.gz BIKAEJGUCBZYTB-UHFFFAOYSA-N 1 1 263.696 0.971 20 10 CCCDMO O=C1C[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)CCCN1 ZINC000872825716 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O=C1CC[C@@H]2C[N@@H+](Cc3cc4c(cc3O)OCO4)CCN12 ZINC000211268202 647271188 /nfs/dbraw/zinc/27/11/88/647271188.db2.gz XSUKZTQIDGNTFG-LLVKDONJSA-N 1 1 290.319 0.928 20 10 CCCDMO C[N@H+]1CC[C@H]1CN1C(=O)CN(Cc2ccccc2O)C1=O ZINC000925196522 648405949 /nfs/dbraw/zinc/40/59/49/648405949.db2.gz NLTZLQLHKHBEMU-LBPRGKRZSA-N 1 1 289.335 0.861 20 10 CCCDMO C[C@H](C(=O)NCc1c(O)cccc1F)N1CC[NH+](C)CC1 ZINC000928704958 648658373 /nfs/dbraw/zinc/65/83/73/648658373.db2.gz GODMKKSPBPLZFN-LLVKDONJSA-N 1 1 295.358 0.783 20 10 CCCDMO COc1ccc(O)c(CNC(=O)[C@@H]2C[N@H+](C)CCO2)c1 ZINC000081959470 649586564 /nfs/dbraw/zinc/58/65/64/649586564.db2.gz XHASWCLWXKBWSA-ZDUSSCGKSA-N 1 1 280.324 0.348 20 10 CCCDMO COc1ccc(O)c(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000081959470 649586571 /nfs/dbraw/zinc/58/65/71/649586571.db2.gz XHASWCLWXKBWSA-ZDUSSCGKSA-N 1 1 280.324 0.348 20 10 CCCDMO COc1ccc(O)c(C[N@H+]2CC[C@@H]3C[C@@]32C(N)=O)c1 ZINC001277463360 805646909 /nfs/dbraw/zinc/64/69/09/805646909.db2.gz JWUSSPUYDGWXOT-YGRLFVJLSA-N 1 1 262.309 0.851 20 10 CCCDMO Cc1cccc(C[N@H+]2CCN3C(=O)COC[C@H]3C2)c1O ZINC001231592185 805819246 /nfs/dbraw/zinc/81/92/46/805819246.db2.gz FRNDPWJDGUBYKZ-CYBMUJFWSA-N 1 1 276.336 0.744 20 10 CCCDMO OC[C@H]1C[N@@H+](Cc2cc(Cl)c(O)cc2O)C[C@@H]1O ZINC001232259893 805914658 /nfs/dbraw/zinc/91/46/58/805914658.db2.gz MUIOAOFJQWZSPC-PELKAZGASA-N 1 1 273.716 0.536 20 10 CCCDMO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2O)CC(=O)N1 ZINC001232835230 805986528 /nfs/dbraw/zinc/98/65/28/805986528.db2.gz ZTYOEPJPFFBQMM-SNVBAGLBSA-N 1 1 263.341 0.779 20 10 CCCDMO C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2O)CC(=O)N1 ZINC001232835230 805986531 /nfs/dbraw/zinc/98/65/31/805986531.db2.gz ZTYOEPJPFFBQMM-SNVBAGLBSA-N 1 1 263.341 0.779 20 10 CCCDMO Oc1cc(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)cc(O)c1O ZINC001233013198 806006421 /nfs/dbraw/zinc/00/64/21/806006421.db2.gz NPRSFSQOLQFPHP-GFCCVEGCSA-N 1 1 294.351 0.710 20 10 CCCDMO Oc1cc(C[N@H+]2CC[C@@H](N3CCOCC3)C2)cc(O)c1O ZINC001233013198 806006430 /nfs/dbraw/zinc/00/64/30/806006430.db2.gz NPRSFSQOLQFPHP-GFCCVEGCSA-N 1 1 294.351 0.710 20 10 CCCDMO O=C1NCC[C@]12CCC[N@H+](Cc1cc(O)c(O)c(O)c1)C2 ZINC001233014402 806007442 /nfs/dbraw/zinc/00/74/42/806007442.db2.gz SWYVPLMKIAZKHS-HNNXBMFYSA-N 1 1 292.335 0.906 20 10 CCCDMO O=C1NCC2(CC[NH+](Cc3cc(O)c(O)c(O)c3)CC2)O1 ZINC001233016965 806008210 /nfs/dbraw/zinc/00/82/10/806008210.db2.gz QBEJOASYTAERPO-UHFFFAOYSA-N 1 1 294.307 0.878 20 10 CCCDMO Oc1cc(O)c(C[N@@H+]2CCN3CCOC[C@@H]3C2)cc1O ZINC001233483321 806058685 /nfs/dbraw/zinc/05/86/85/806058685.db2.gz VJYUOCAOCZVBJK-NSHDSACASA-N 1 1 280.324 0.320 20 10 CCCDMO Oc1cc(O)c(C[N@H+]2CCN3CCOC[C@@H]3C2)cc1O ZINC001233483321 806058693 /nfs/dbraw/zinc/05/86/93/806058693.db2.gz VJYUOCAOCZVBJK-NSHDSACASA-N 1 1 280.324 0.320 20 10 CCCDMO COCCN1CCN(Cc2cc(O)c(O)cc2O)CC1 ZINC001233483721 806059422 /nfs/dbraw/zinc/05/94/22/806059422.db2.gz JCHYIVRGUKJAAF-UHFFFAOYSA-N 1 1 282.340 0.567 20 10 CCCDMO CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(O)c(O)cc1O ZINC001233487612 806064362 /nfs/dbraw/zinc/06/43/62/806064362.db2.gz LFNPKRPCVWHGJE-JTQLQIEISA-N 1 1 280.324 0.904 20 10 CCCDMO CCNC(=O)[C@@H]1CCC[N@H+]1Cc1cc(O)c(O)cc1O ZINC001233487612 806064371 /nfs/dbraw/zinc/06/43/71/806064371.db2.gz LFNPKRPCVWHGJE-JTQLQIEISA-N 1 1 280.324 0.904 20 10 CCCDMO Cc1ccc(O)c(C[NH+]2CC(N3CCN(C)C(=O)C3)C2)c1 ZINC001140622626 791693858 /nfs/dbraw/zinc/69/38/58/791693858.db2.gz CIKUSQZGMKCUAA-UHFFFAOYSA-N 1 1 289.379 0.659 20 10 CCCDMO Cc1ccc(O)c(CN2CCN[C@@]3(CC[NH2+]C3)C2)c1 ZINC001235055253 806360200 /nfs/dbraw/zinc/36/02/00/806360200.db2.gz UEOHNGMQWPSWFD-OAHLLOKOSA-N 1 1 261.369 0.838 20 10 CCCDMO CCOC(=O)[C@H]1C[C@@H]2C[N@@H+](Cc3ccc(N)cc3)C[C@@H]2N1 ZINC001235281584 806401787 /nfs/dbraw/zinc/40/17/87/806401787.db2.gz AONKBEITDGRYIS-YUELXQCFSA-N 1 1 289.379 0.994 20 10 CCCDMO Cc1cccc(O)c1C[N@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC001237484984 806673903 /nfs/dbraw/zinc/67/39/03/806673903.db2.gz KTLAXBOLBDYEED-FZMZJTMJSA-N 1 1 251.326 0.876 20 10 CCCDMO C[N@H+]1CC[C@](O)(CNC(=O)NCc2ccc(N)cc2)C1 ZINC001120677436 798913007 /nfs/dbraw/zinc/91/30/07/798913007.db2.gz QLPFFECHZBVOTM-AWEZNQCLSA-N 1 1 278.356 0.135 20 10 CCCDMO CC[N@@H+]1CCO[C@H](C(=O)NCc2ccc(N)cc2)C1 ZINC001122535885 799258213 /nfs/dbraw/zinc/25/82/13/799258213.db2.gz KSFZKXWZKHAHCR-ZDUSSCGKSA-N 1 1 263.341 0.606 20 10 CCCDMO CC[N@H+]1CCO[C@H](C(=O)NCc2ccc(N)cc2)C1 ZINC001122535885 799258216 /nfs/dbraw/zinc/25/82/16/799258216.db2.gz KSFZKXWZKHAHCR-ZDUSSCGKSA-N 1 1 263.341 0.606 20 10 CCCDMO Cc1cc(F)cc(C[NH+]2CCN(CC(N)=O)CC2)c1O ZINC001238069324 806746498 /nfs/dbraw/zinc/74/64/98/806746498.db2.gz IHKRCKHFBRRQNI-UHFFFAOYSA-N 1 1 281.331 0.443 20 10 CCCDMO Cc1c(O)ccc(C[N@H+]2CCN3C(=O)COC[C@@H]3C2)c1O ZINC001140748208 799939679 /nfs/dbraw/zinc/93/96/79/799939679.db2.gz UQPMXFDUHNLWJM-LBPRGKRZSA-N 1 1 292.335 0.449 20 10 CCCDMO COc1cc(O)c(C[N@H+]2CC[C@@H](O)C2)c(OC)c1 ZINC001141031454 799973299 /nfs/dbraw/zinc/97/32/99/799973299.db2.gz FHLGEGVEAPYXCE-SECBINFHSA-N 1 1 253.298 0.976 20 10 CCCDMO O=C1COC[C@H]2C[N@@H+](Cc3ccccc3O)CCN12 ZINC001203558282 803034467 /nfs/dbraw/zinc/03/44/67/803034467.db2.gz BMWKRVQWFQVQMU-GFCCVEGCSA-N 1 1 262.309 0.435 20 10 CCCDMO C[C@]1(CO)CC[N@@H+](Cc2ccc(O)c(O)c2)C[C@@H]1O ZINC001203875112 803048944 /nfs/dbraw/zinc/04/89/44/803048944.db2.gz HMVKITCYAVOAOT-UONOGXRCSA-N 1 1 267.325 0.663 20 10 CCCDMO C[N@H+]1C[C@H]2CN(Cc3cc(O)c(O)c(O)c3)C[C@@H](C1)O2 ZINC001276831087 804915616 /nfs/dbraw/zinc/91/56/16/804915616.db2.gz ZWXZYQBBPMRGPO-PHIMTYICSA-N 1 1 280.324 0.318 20 10 CCCDMO C[N@@H+]1C[C@H]2CN(Cc3cc(O)c(O)c(O)c3)C[C@@H](C1)O2 ZINC001276831087 804915622 /nfs/dbraw/zinc/91/56/22/804915622.db2.gz ZWXZYQBBPMRGPO-PHIMTYICSA-N 1 1 280.324 0.318 20 10 CCCDMO COC(=O)Cc1ccc(C[N@@H+]2C[C@@H](O)[C@@H](F)C2)c(O)c1 ZINC001249173294 807546188 /nfs/dbraw/zinc/54/61/88/807546188.db2.gz SSQDMLJUXYIFSK-WCQYABFASA-N 1 1 283.299 0.622 20 10 CCCDMO COC(=O)Cc1ccc(C[N@H+]2C[C@@H](O)[C@@H](F)C2)c(O)c1 ZINC001249173294 807546191 /nfs/dbraw/zinc/54/61/91/807546191.db2.gz SSQDMLJUXYIFSK-WCQYABFASA-N 1 1 283.299 0.622 20 10 CCCDMO C[C@H](O)C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC001251969648 807755247 /nfs/dbraw/zinc/75/52/47/807755247.db2.gz BQZRMVFJWVVFDI-ZDUSSCGKSA-N 1 1 263.385 0.909 20 10 CCCDMO CC(C)[N@@H+](C)CC(=O)NCCc1cc(O)c(O)cc1O ZINC001142590286 815183447 /nfs/dbraw/zinc/18/34/47/815183447.db2.gz QRYRYNOHJHUTGT-UHFFFAOYSA-N 1 1 282.340 0.802 20 10 CCCDMO CO[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000697268566 814757842 /nfs/dbraw/zinc/75/78/42/814757842.db2.gz AHIXRVPXHAAKDE-KBPBESRZSA-N 1 1 298.408 0.654 20 10 CCCDMO COC(=O)[C@@H]1C[N@@H+](Cc2c(C)ccc(C)c2O)C[C@@H]1N ZINC001236348882 817277621 /nfs/dbraw/zinc/27/76/21/817277621.db2.gz NHYJRJODWYNVTA-OLZOCXBDSA-N 1 1 278.352 0.941 20 10 CCCDMO COC(=O)[C@@H]1CN(Cc2c(C)ccc(C)c2O)C[C@@H]1[NH3+] ZINC001236348882 817277625 /nfs/dbraw/zinc/27/76/25/817277625.db2.gz NHYJRJODWYNVTA-OLZOCXBDSA-N 1 1 278.352 0.941 20 10 CCCDMO CCOc1ccc(C[N@H+]2C[C@H](O)[C@@H](CO)C2)c(O)c1 ZINC001237046333 817442140 /nfs/dbraw/zinc/44/21/40/817442140.db2.gz AHQPLJHDHZOTRI-RISCZKNCSA-N 1 1 267.325 0.576 20 10 CCCDMO Oc1cc(O)c(C[N@H+]2CCO[C@]3(CCOC3)C2)c(O)c1 ZINC001144504339 840069466 /nfs/dbraw/zinc/06/94/66/840069466.db2.gz PYVZUSFXQVGWRH-CQSZACIVSA-N 1 1 281.308 0.795 20 10 CCCDMO CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144515687 840074454 /nfs/dbraw/zinc/07/44/54/840074454.db2.gz DLNYPDZMNAFMBJ-SNVBAGLBSA-N 1 1 280.324 0.856 20 10 CCCDMO C[N@H+](C1CN(Cc2c(O)cc(O)cc2O)C1)[C@@H]1CCOC1 ZINC001144514609 840075851 /nfs/dbraw/zinc/07/58/51/840075851.db2.gz LYLDKRXIKWSTIB-SNVBAGLBSA-N 1 1 294.351 0.708 20 10 CCCDMO C[N@@H+](C1CN(Cc2c(O)cc(O)cc2O)C1)[C@@H]1CCOC1 ZINC001144514609 840075863 /nfs/dbraw/zinc/07/58/63/840075863.db2.gz LYLDKRXIKWSTIB-SNVBAGLBSA-N 1 1 294.351 0.708 20 10 CCCDMO COc1cc(C[N@@H+]2CC[C@@](C)(CO)[C@H](O)C2)cc(O)c1O ZINC001204342285 843829533 /nfs/dbraw/zinc/82/95/33/843829533.db2.gz KBDFILFNWHRINN-HIFRSBDPSA-N 1 1 297.351 0.672 20 10 CCCDMO COc1cc(C[N@H+]2CC[C@@](C)(CO)[C@H](O)C2)cc(O)c1O ZINC001204342285 843829541 /nfs/dbraw/zinc/82/95/41/843829541.db2.gz KBDFILFNWHRINN-HIFRSBDPSA-N 1 1 297.351 0.672 20 10 CCCDMO COc1cc(C(=O)N[C@H]2CCC[N@@H+](C)C2)cc(OC)n1 ZINC001192422081 845842206 /nfs/dbraw/zinc/84/22/06/845842206.db2.gz CAODXSXGLYKUBX-NSHDSACASA-N 1 1 279.340 0.923 20 10 CCCDMO N=c1ncc(C[NH3+])cn1C(=O)c1cc(O)c(O)c(Cl)c1 ZINC001193633977 846131606 /nfs/dbraw/zinc/13/16/06/846131606.db2.gz NCTYAUKPAITPHQ-UHFFFAOYSA-N 1 1 294.698 0.574 20 10 CCCDMO Cc1cccc(C[NH+]2CC3(C2)COCC(=O)N3C)c1O ZINC001273769037 847141353 /nfs/dbraw/zinc/14/13/53/847141353.db2.gz FPWSSXLGRBVFKQ-UHFFFAOYSA-N 1 1 276.336 0.744 20 10 CCCDMO C[C@@H]([NH2+]Cc1nnc2n1CCNC2=O)c1ccccc1O ZINC001119289889 856615056 /nfs/dbraw/zinc/61/50/56/856615056.db2.gz MJXGZJRBVKIOHC-SECBINFHSA-N 1 1 287.323 0.578 20 10 CCCDMO CO[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000697293280 894316085 /nfs/dbraw/zinc/31/60/85/894316085.db2.gz GMXXPKCNYRYWSV-JSGCOSHPSA-N 1 1 297.376 0.523 20 10 CCCDMO C[C@@H]([NH2+]Cc1nnc2c(=O)n(C)ccn12)c1ccccc1O ZINC001333444990 918911814 /nfs/dbraw/zinc/91/18/14/918911814.db2.gz WAJCMOFYUPZPDR-SNVBAGLBSA-N 1 1 299.334 0.984 20 10 CCCDMO Nc1ccc(CNC(=O)NCC[N@H+]2CCCOCC2)cc1 ZINC001335665667 920356726 /nfs/dbraw/zinc/35/67/26/920356726.db2.gz KEKLKYPVRSTEOK-UHFFFAOYSA-N 1 1 292.383 0.790 20 10 CCCDMO Cc1cc(O)c(C[N@H+]2CCO[C@@H](C(N)=O)C2)cc1C ZINC000050926876 348481830 /nfs/dbraw/zinc/48/18/30/348481830.db2.gz DGGXGJOJQQJALQ-CYBMUJFWSA-N 1 1 264.325 0.695 20 10 CCCDMO COc1cc(O)c(C[N@@H+](C)CCOCCO)cc1OC ZINC000282731700 353448464 /nfs/dbraw/zinc/44/84/64/353448464.db2.gz MJMQAFPUXDWEEG-UHFFFAOYSA-N 1 1 285.340 0.850 20 10 CCCDMO COc1ccc(O)c(C[N@@H+]2CCN3C(=O)NC[C@@H]3C2)c1 ZINC000156064353 389323227 /nfs/dbraw/zinc/32/32/27/389323227.db2.gz PKTYBIUFGYSZIA-LLVKDONJSA-N 1 1 277.324 0.610 20 10 CCCDMO COc1ccc(O)c(C[N@H+]2CCN3C(=O)NC[C@@H]3C2)c1 ZINC000156064353 389323230 /nfs/dbraw/zinc/32/32/30/389323230.db2.gz PKTYBIUFGYSZIA-LLVKDONJSA-N 1 1 277.324 0.610 20 10 CCCDMO COc1cc(Cl)cc(C[N@H+]2C[C@H](O)C[C@H]2CO)c1O ZINC000363934713 262039142 /nfs/dbraw/zinc/03/91/42/262039142.db2.gz WBGYHJFGDCNBRZ-WDEREUQCSA-N 1 1 287.743 0.982 20 10 CCCDMO OCc1cn(CCC[NH2+]Cc2cccc(F)c2O)nn1 ZINC000291711584 527639558 /nfs/dbraw/zinc/63/95/58/527639558.db2.gz ZWKCGTGTJWDWJX-UHFFFAOYSA-N 1 1 280.303 0.795 20 10 CCCDMO COCC[N@H+](Cc1c(O)cccc1OC)[C@H](C)C(N)=O ZINC000769336773 581684897 /nfs/dbraw/zinc/68/48/97/581684897.db2.gz AQSHVIHRWNERNR-SNVBAGLBSA-N 1 1 282.340 0.723 20 10 CCCDMO COCC[N@@H+](Cc1c(O)cccc1OC)[C@H](C)C(N)=O ZINC000769336773 581684900 /nfs/dbraw/zinc/68/49/00/581684900.db2.gz AQSHVIHRWNERNR-SNVBAGLBSA-N 1 1 282.340 0.723 20 10 CCCDMO COc1cccc(C[N@@H+](C)[C@@H]2CCNC2=O)c1O ZINC000770383416 581740382 /nfs/dbraw/zinc/74/03/82/581740382.db2.gz UYAFCZJKLDQYPO-SNVBAGLBSA-N 1 1 250.298 0.721 20 10 CCCDMO C[N@@H+](Cc1cc2c(cc1O)OCO2)[C@@H]1CCNC1=O ZINC000758411222 581744983 /nfs/dbraw/zinc/74/49/83/581744983.db2.gz ZWEYHSRQFXWTFJ-SECBINFHSA-N 1 1 264.281 0.441 20 10 CCCDMO COc1cc(O)c(C[NH2+]Cc2cnn(C)n2)cc1OC ZINC000809720879 617207848 /nfs/dbraw/zinc/20/78/48/617207848.db2.gz OXINUWSZDVDCBA-UHFFFAOYSA-N 1 1 278.312 0.828 20 10 CCCDMO COc1ccc(CNC(=O)NC[C@H]2CC[N@H+]2C)c(O)c1 ZINC000925426532 617254684 /nfs/dbraw/zinc/25/46/84/617254684.db2.gz VPIRLPHVKVJDGJ-LLVKDONJSA-N 1 1 279.340 0.904 20 10 CCCDMO COc1ccc(C[NH2+][C@]2(C(N)=O)CCOC2)cc1C ZINC000930888977 617260337 /nfs/dbraw/zinc/26/03/37/617260337.db2.gz DFVWQGLUNYWXTM-CQSZACIVSA-N 1 1 264.325 0.738 20 10 CCCDMO COc1cccc(CN2CC[N@H+]3C[C@H](O)C[C@H]3C2)c1O ZINC000848926749 617297584 /nfs/dbraw/zinc/29/75/84/617297584.db2.gz XXBYMIOYZOAZMN-QWHCGFSZSA-N 1 1 278.352 0.652 20 10 CCCDMO COc1cccc(C[N@H+]2C[C@@H](O)C[C@]2(C)CO)c1O ZINC000895331688 617297892 /nfs/dbraw/zinc/29/78/92/617297892.db2.gz QCGRQRJUIZZPGR-SMDDNHRTSA-N 1 1 267.325 0.718 20 10 CCCDMO CC[N@H+]1CCCN(C(=O)C(=O)Nc2ccc(N)cc2)CC1 ZINC000841094240 615116705 /nfs/dbraw/zinc/11/67/05/615116705.db2.gz LDKDFZOKZUJROT-UHFFFAOYSA-N 1 1 290.367 0.762 20 10 CCCDMO CCOc1ccc(C[N@H+]2CC[C@@](O)(C(=O)OC)C2)c(O)c1 ZINC000895707078 615510418 /nfs/dbraw/zinc/51/04/18/615510418.db2.gz IMDHRJFEEVZTLC-HNNXBMFYSA-N 1 1 295.335 0.901 20 10 CCCDMO CCOc1cccc(C[N@H+]2CCC(CO)(CO)C2)c1O ZINC000827474590 615515810 /nfs/dbraw/zinc/51/58/10/615515810.db2.gz FXPAGECSUMTOEE-UHFFFAOYSA-N 1 1 281.352 0.968 20 10 CCCDMO C[NH+](C)C1(CS(=O)(=O)NCCc2ccc(N)cc2)CC1 ZINC000866761002 615853094 /nfs/dbraw/zinc/85/30/94/615853094.db2.gz JGWDQPZHNXZAED-UHFFFAOYSA-N 1 1 297.424 0.825 20 10 CCCDMO COCCOCC[N@@H+](C)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000808237398 616540250 /nfs/dbraw/zinc/54/02/50/616540250.db2.gz OPHLDAUPMAOFCZ-AWEZNQCLSA-N 1 1 297.351 0.913 20 10 CCCDMO CNC(=O)NC[C@@H]1C[N@H+](Cc2c(C)cccc2O)CCO1 ZINC000877651167 616753345 /nfs/dbraw/zinc/75/33/45/616753345.db2.gz SDKDDNUWNUIFFC-GFCCVEGCSA-N 1 1 293.367 0.830 20 10 CCCDMO CNC(=O)NC[C@@H]1C[N@@H+](Cc2c(C)cccc2O)CCO1 ZINC000877651167 616753349 /nfs/dbraw/zinc/75/33/49/616753349.db2.gz SDKDDNUWNUIFFC-GFCCVEGCSA-N 1 1 293.367 0.830 20 10 CCCDMO COc1c(O)c(C[NH2+][C@@H]2CC[C@H]2O)ccc1[N+](=O)[O-] ZINC000822503796 617149249 /nfs/dbraw/zinc/14/92/49/617149249.db2.gz LNKIEBRYKDUUHB-PSASIEDQSA-N 1 1 268.269 0.922 20 10 CCCDMO O=C(NCc1c(O)cccc1F)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000928704804 632544286 /nfs/dbraw/zinc/54/42/86/632544286.db2.gz DEVOHSNBHBRMRI-ZDUSSCGKSA-N 1 1 293.342 0.537 20 10 CCCDMO COc1cc(O)c(C[N@@H+](C[C@@H](O)CO)C(C)C)cc1OC ZINC000817417264 641257632 /nfs/dbraw/zinc/25/76/32/641257632.db2.gz AFTGSMYMQFTPMZ-GFCCVEGCSA-N 1 1 299.367 0.973 20 10 CCCDMO C[C@H](NC(=O)[C@H]1C[N@H+]2CCN1CCC2)c1ccccc1O ZINC000827973406 642055595 /nfs/dbraw/zinc/05/55/95/642055595.db2.gz OOOAFFXWEGVMLF-GXTWGEPZSA-N 1 1 289.379 0.959 20 10 CCCDMO [NH3+]CCN(CCO)Cc1cc(Cl)cc(F)c1O ZINC000841059468 642801980 /nfs/dbraw/zinc/80/19/80/642801980.db2.gz RQTVLKDZPUIKTP-UHFFFAOYSA-N 1 1 262.712 0.938 20 10 CCCDMO Cc1cccc(O)c1C[NH+]1CCN(S(C)(=O)=O)CC1 ZINC000876551983 646625302 /nfs/dbraw/zinc/62/53/02/646625302.db2.gz FTKMROAGZGFFMT-UHFFFAOYSA-N 1 1 284.381 0.778 20 10 CCCDMO Cc1cccc(O)c1C[N@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000877567879 646824971 /nfs/dbraw/zinc/82/49/71/646824971.db2.gz SHFWIDFXRKOQKD-PHIMTYICSA-N 1 1 260.293 0.405 20 10 CCCDMO Cc1ccc(C[N@H+]2CC[C@@H](O)[C@@H](CO)C2)c(O)c1 ZINC000877592042 646826675 /nfs/dbraw/zinc/82/66/75/646826675.db2.gz KOYGEBORSJQYDO-CHWSQXEVSA-N 1 1 251.326 0.876 20 10 CCCDMO COc1ccc(O)c(C[N@H+]2C[C@H]3C[C@@]3(C(N)=O)C2)c1 ZINC001277464018 805653860 /nfs/dbraw/zinc/65/38/60/805653860.db2.gz SCKALJLMZRLMCA-QMTHXVAHSA-N 1 1 262.309 0.708 20 10 CCCDMO Cc1ccc(C[N@@H+]2C[C@@H]3C(C(N)=O)=NO[C@@H]3C2)c(O)c1 ZINC001277567333 805857034 /nfs/dbraw/zinc/85/70/34/805857034.db2.gz FMLKIROPDVNAHL-CMPLNLGQSA-N 1 1 275.308 0.373 20 10 CCCDMO CN(C)c1ccc(C[N@H+]2CCOC[C@@H](O)C2)c(O)c1 ZINC001232835442 805985366 /nfs/dbraw/zinc/98/53/66/805985366.db2.gz CJNLDSWXVHROCT-ZDUSSCGKSA-N 1 1 266.341 0.651 20 10 CCCDMO CNC(=O)C[N@@H+](C)Cc1ccc(N(C)C)cc1O ZINC001232835069 805985905 /nfs/dbraw/zinc/98/59/05/805985905.db2.gz ULHWNWGEZGOYAF-UHFFFAOYSA-N 1 1 251.330 0.636 20 10 CCCDMO CN(C)c1ccc(C[N@H+]2CC[C@H](O)[C@H](CO)C2)c(O)c1 ZINC001232835683 805986341 /nfs/dbraw/zinc/98/63/41/805986341.db2.gz FQOJWXJFTDRBKD-JSGCOSHPSA-N 1 1 280.368 0.633 20 10 CCCDMO O=C1NC2(CO1)CC[NH+](Cc1cc(O)c(O)c(O)c1)CC2 ZINC001233015705 806006658 /nfs/dbraw/zinc/00/66/58/806006658.db2.gz YEPAPZAJHBWJKM-UHFFFAOYSA-N 1 1 294.307 0.878 20 10 CCCDMO CC(C)(C)[N@H+](Cc1cc(O)c(O)cc1O)C[C@@H](O)CO ZINC001233483000 806060182 /nfs/dbraw/zinc/06/01/82/806060182.db2.gz KJDDPJCKWMUJLY-SNVBAGLBSA-N 1 1 285.340 0.757 20 10 CCCDMO Oc1cc(O)c(C[N@H+]2CC[C@@H](N3CCOCC3)C2)cc1O ZINC001233485268 806062397 /nfs/dbraw/zinc/06/23/97/806062397.db2.gz OXAUVADQXHHAHO-GFCCVEGCSA-N 1 1 294.351 0.710 20 10 CCCDMO CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233487200 806063850 /nfs/dbraw/zinc/06/38/50/806063850.db2.gz UOHUEJDNCYDQMA-LLVKDONJSA-N 1 1 280.324 0.856 20 10 CCCDMO O=C([O-])c1ccc(O)c(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)c1 ZINC001234990881 806335884 /nfs/dbraw/zinc/33/58/84/806335884.db2.gz UJNKABLKBZGHBD-HNNXBMFYSA-N 1 1 291.351 0.228 20 10 CCCDMO COC(=O)[C@@H]1C[N@H+](Cc2ccc(O)c(C)c2O)C[C@@H]1N ZINC001236351324 806581991 /nfs/dbraw/zinc/58/19/91/806581991.db2.gz UJPFNTZNGAGCJP-MNOVXSKESA-N 1 1 280.324 0.338 20 10 CCCDMO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(O)c(C)c2O)C[C@@H]1N ZINC001236351324 806581998 /nfs/dbraw/zinc/58/19/98/806581998.db2.gz UJPFNTZNGAGCJP-MNOVXSKESA-N 1 1 280.324 0.338 20 10 CCCDMO C[C@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CC[N@@H+]1CCO ZINC001138606631 799742593 /nfs/dbraw/zinc/74/25/93/799742593.db2.gz COMTWWPFQZPLHT-NSHDSACASA-N 1 1 294.351 0.165 20 10 CCCDMO C[C@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CC[N@H+]1CCO ZINC001138606631 799742605 /nfs/dbraw/zinc/74/26/05/799742605.db2.gz COMTWWPFQZPLHT-NSHDSACASA-N 1 1 294.351 0.165 20 10 CCCDMO C[N@H+](Cc1ccc(N2CCOCC2)cc1F)C[C@H](O)CO ZINC001140665910 799927587 /nfs/dbraw/zinc/92/75/87/799927587.db2.gz ZFFCZAHAPOSIFZ-AWEZNQCLSA-N 1 1 298.358 0.447 20 10 CCCDMO NC(=O)[C@@H]1CCCC[N@@H+]1Cc1cc(O)ccc1O ZINC001141158453 799985225 /nfs/dbraw/zinc/98/52/25/799985225.db2.gz ADRHMNWTMUSQMF-NSHDSACASA-N 1 1 250.298 0.938 20 10 CCCDMO NC(=O)[C@@H]1CCCC[N@H+]1Cc1cc(O)ccc1O ZINC001141158453 799985234 /nfs/dbraw/zinc/98/52/34/799985234.db2.gz ADRHMNWTMUSQMF-NSHDSACASA-N 1 1 250.298 0.938 20 10 CCCDMO COc1cccc(C[NH+]2CC(N3CCNC(=O)C3)C2)c1O ZINC001203596616 803035549 /nfs/dbraw/zinc/03/55/49/803035549.db2.gz MHSAMIYHLNUOIZ-UHFFFAOYSA-N 1 1 291.351 0.017 20 10 CCCDMO COc1cccc(C[N@H+]2CC[C@@H](CO)[C@@H](O)C2)c1O ZINC001203585056 803035694 /nfs/dbraw/zinc/03/56/94/803035694.db2.gz LJMDVBJMHFHPPU-RYUDHWBXSA-N 1 1 267.325 0.576 20 10 CCCDMO COC(=O)[C@H]1C[N@H+](Cc2cc(OC)ccc2O)CCN1C ZINC001203680137 803041246 /nfs/dbraw/zinc/04/12/46/803041246.db2.gz HASXNOLRJOJZJQ-CYBMUJFWSA-N 1 1 294.351 0.690 20 10 CCCDMO COC(=O)[C@H]1C[N@@H+](Cc2cc(OC)ccc2O)CCN1C ZINC001203680137 803041253 /nfs/dbraw/zinc/04/12/53/803041253.db2.gz HASXNOLRJOJZJQ-CYBMUJFWSA-N 1 1 294.351 0.690 20 10 CCCDMO COc1ccc(O)c(C[N@H+]2CC[C@H](CO)[C@@H](O)C2)c1 ZINC001203669440 803041301 /nfs/dbraw/zinc/04/13/01/803041301.db2.gz CENGFNGBQVXWRQ-YGRLFVJLSA-N 1 1 267.325 0.576 20 10 CCCDMO COc1ccc(O)c(C[NH+]2CC3(C2)CS(=O)C3)c1 ZINC001203669890 803041555 /nfs/dbraw/zinc/04/15/55/803041555.db2.gz HAGVPUCVRXDDPF-UHFFFAOYSA-N 1 1 267.350 0.965 20 10 CCCDMO CNC(=O)N1CC[NH+](Cc2ccc(O)cc2O)CC1 ZINC001204278176 803075922 /nfs/dbraw/zinc/07/59/22/803075922.db2.gz WPPINZWUFYOOMU-UHFFFAOYSA-N 1 1 265.313 0.555 20 10 CCCDMO CN1CCCc2cc(CN3C[C@H](O)[C@@H](C[NH3+])C3)ccc21 ZINC001206518701 803259037 /nfs/dbraw/zinc/25/90/37/803259037.db2.gz FLODVWKJHYDYTL-HOCLYGCPSA-N 1 1 275.396 0.820 20 10 CCCDMO [NH3+]C[C@H]1C[N@H+](Cc2ccc(F)c(F)c2[O-])C[C@@H]1O ZINC001206530066 803261005 /nfs/dbraw/zinc/26/10/05/803261005.db2.gz AMSUAVALCRWQJI-WPRPVWTQSA-N 1 1 258.268 0.422 20 10 CCCDMO [NH3+]C[C@H]1C[N@@H+](Cc2ccc(F)c(F)c2[O-])C[C@@H]1O ZINC001206530066 803261010 /nfs/dbraw/zinc/26/10/10/803261010.db2.gz AMSUAVALCRWQJI-WPRPVWTQSA-N 1 1 258.268 0.422 20 10 CCCDMO C[N@H+]1CCC2(CN(Cc3cc(O)c(O)c(O)c3)C2)C1 ZINC001276829942 804899254 /nfs/dbraw/zinc/89/92/54/804899254.db2.gz DDZMCPLPPWCPQX-UHFFFAOYSA-N 1 1 264.325 0.941 20 10 CCCDMO C[C@@H]1C[C@@H](NC[C@H](O)c2ccc(O)c(O)c2)CC[NH2+]1 ZINC001246076213 807142954 /nfs/dbraw/zinc/14/29/54/807142954.db2.gz YGJGFMFPEMAJHP-PUYPPJJSSA-N 1 1 266.341 0.861 20 10 CCCDMO COC(=O)Cc1ccc(CN2CC3(C2)C[NH+](C)C3)c(O)c1 ZINC001249217628 807547511 /nfs/dbraw/zinc/54/75/11/807547511.db2.gz QQQZSNXIPRDVQU-UHFFFAOYSA-N 1 1 290.363 0.855 20 10 CCCDMO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3cc(O)ccc3O)C[C@@H]21 ZINC001141159135 811822943 /nfs/dbraw/zinc/82/29/43/811822943.db2.gz AKSCYEQCICMCKX-PJXYFTJBSA-N 1 1 263.293 0.949 20 10 CCCDMO CN1C(=O)COCC12C[NH+](Cc1ccccc1O)C2 ZINC001272619519 816865815 /nfs/dbraw/zinc/86/58/15/816865815.db2.gz WOTZPMDFMHCAKC-UHFFFAOYSA-N 1 1 262.309 0.435 20 10 CCCDMO COc1ccc(C[NH2+][C@H]2CS(=O)(=O)C[C@@H]2OC)cc1C ZINC000700279971 818751729 /nfs/dbraw/zinc/75/17/29/818751729.db2.gz UUYBRSZEZJNDEJ-JSGCOSHPSA-N 1 1 299.392 0.905 20 10 CCCDMO NC(=O)[C@@H]1CCC[N@@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144499872 840066989 /nfs/dbraw/zinc/06/69/89/840066989.db2.gz NDOHNYKMWJUNCQ-MRVPVSSYSA-N 1 1 266.297 0.501 20 10 CCCDMO CN1CC[N@@H+](Cc2ccc(O)cc2O)CCC1=O ZINC001204275670 843223339 /nfs/dbraw/zinc/22/33/39/843223339.db2.gz YAOHXMYHABIRGC-UHFFFAOYSA-N 1 1 250.298 0.762 20 10 CCCDMO COc1ccc(CN2C[C@@H](O)[C@@H](C[NH3+])C2)c(O)c1 ZINC001206465173 843627337 /nfs/dbraw/zinc/62/73/37/843627337.db2.gz XNRZXKDSEGNJIQ-GXFFZTMASA-N 1 1 252.314 0.152 20 10 CCCDMO CNC(=O)[C@H]1CC[N@@H+](Cc2cc(OC)ccc2O)C1 ZINC000398472109 854481547 /nfs/dbraw/zinc/48/15/47/854481547.db2.gz QKDXZFACWVKQIR-JTQLQIEISA-N 1 1 264.325 0.969 20 10 CCCDMO C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCc1cccc(O)c1O ZINC001349079851 924881800 /nfs/dbraw/zinc/88/18/00/924881800.db2.gz UHZXILJWYPVOMB-CMPLNLGQSA-N 1 1 291.351 0.102 20 10 CCCDMO C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N(C)Cc1ccccc1O ZINC001349310900 924929710 /nfs/dbraw/zinc/92/97/10/924929710.db2.gz MTNZWCURCIIQOG-JSGCOSHPSA-N 1 1 289.379 0.739 20 10 CCCDMO CN(Cc1ccccc1O)C(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC001352870450 925662459 /nfs/dbraw/zinc/66/24/59/925662459.db2.gz MFKDCMRCQHYMOH-GFCCVEGCSA-N 1 1 291.351 0.171 20 10 CCCDMO CN(Cc1ccccc1O)C(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC001352870450 925662464 /nfs/dbraw/zinc/66/24/64/925662464.db2.gz MFKDCMRCQHYMOH-GFCCVEGCSA-N 1 1 291.351 0.171 20 10 CCCDMO COCC[N@H+]1CC[C@@H](NC(=O)c2c(F)ccc(O)c2O)C1 ZINC000295382402 353893276 /nfs/dbraw/zinc/89/32/76/353893276.db2.gz XQXINCKDUUUZLK-SECBINFHSA-N 1 1 298.314 0.687 20 10 CCCDMO Cc1ccc(O)c(C[N@@H+]2C[C@@H](C)O[C@H](C(N)=O)C2)c1 ZINC000092007819 389026796 /nfs/dbraw/zinc/02/67/96/389026796.db2.gz SLMAUVOOSUQROD-MFKMUULPSA-N 1 1 264.325 0.775 20 10 CCCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)c1 ZINC000193469815 389070773 /nfs/dbraw/zinc/07/07/73/389070773.db2.gz LLZLUHRLNMOGDV-HNNXBMFYSA-N 1 1 289.335 0.875 20 10 CCCDMO CNC(=O)[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2)CCO1 ZINC000182489782 389710162 /nfs/dbraw/zinc/71/01/62/389710162.db2.gz URYMSGYCRWOIOI-CQSZACIVSA-N 1 1 277.368 0.699 20 10 CCCDMO CNC(=O)[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)CCO1 ZINC000182489782 389710167 /nfs/dbraw/zinc/71/01/67/389710167.db2.gz URYMSGYCRWOIOI-CQSZACIVSA-N 1 1 277.368 0.699 20 10 CCCDMO C[N@H+]1CCC[C@H]1C(=O)NCCc1ccc(O)c(O)c1 ZINC000157908125 261155414 /nfs/dbraw/zinc/15/54/14/261155414.db2.gz LSAAROXXTWDCJG-NSHDSACASA-N 1 1 264.325 0.851 20 10 CCCDMO Cc1ccc(C(=O)N2CC[NH+](C[C@@H](C)O)CC2)c(O)c1O ZINC000186798939 262110239 /nfs/dbraw/zinc/11/02/39/262110239.db2.gz PTKNQXQCOGUBSK-LLVKDONJSA-N 1 1 294.351 0.545 20 10 CCCDMO COC[C@@H](CO)[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000280950611 328237499 /nfs/dbraw/zinc/23/74/99/328237499.db2.gz JPYMRDYDFHXNIP-GXSJLCMTSA-N 1 1 283.324 0.837 20 10 CCCDMO CNC(=O)CC[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278149399 524067100 /nfs/dbraw/zinc/06/71/00/524067100.db2.gz CCYHVAPBIVXFBQ-UHFFFAOYSA-N 1 1 297.311 0.877 20 10 CCCDMO CNC(=O)CC[N@@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278149399 524067103 /nfs/dbraw/zinc/06/71/03/524067103.db2.gz CCYHVAPBIVXFBQ-UHFFFAOYSA-N 1 1 297.311 0.877 20 10 CCCDMO Oc1ccc(Br)cc1C[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000278128011 526341541 /nfs/dbraw/zinc/34/15/41/526341541.db2.gz BSFYHRGUAHXMHN-GHMZBOCLSA-N 1 1 288.141 0.692 20 10 CCCDMO COc1ccc(O)c(C[N@@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)c1 ZINC000779432974 581185260 /nfs/dbraw/zinc/18/52/60/581185260.db2.gz MOXDCBHPGKYZGG-NSHDSACASA-N 1 1 291.307 0.137 20 10 CCCDMO COc1ccc(O)c(C[N@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)c1 ZINC000779432974 581185261 /nfs/dbraw/zinc/18/52/61/581185261.db2.gz MOXDCBHPGKYZGG-NSHDSACASA-N 1 1 291.307 0.137 20 10 CCCDMO COc1ccc(CNC(=O)[C@H]2CC[N@@H+](C)C2)c(O)c1 ZINC000794383445 581366526 /nfs/dbraw/zinc/36/65/26/581366526.db2.gz NZFHVXXVAGTMTP-NSHDSACASA-N 1 1 264.325 0.969 20 10 CCCDMO COc1ccc(C[N@H+]2C[C@H](O)C[C@]2(C)CO)c(O)c1OC ZINC000895433468 617252300 /nfs/dbraw/zinc/25/23/00/617252300.db2.gz NDVKNVXINWFQKH-IAQYHMDHSA-N 1 1 297.351 0.727 20 10 CCCDMO COc1cccc(O)c1C[N@H+](C)CCS(N)(=O)=O ZINC000877827254 617304952 /nfs/dbraw/zinc/30/49/52/617304952.db2.gz QNNCTLMVKDWRDC-UHFFFAOYSA-N 1 1 274.342 0.121 20 10 CCCDMO COc1cccc(O)c1C[N@@H+](C)CCS(N)(=O)=O ZINC000877827254 617304953 /nfs/dbraw/zinc/30/49/53/617304953.db2.gz QNNCTLMVKDWRDC-UHFFFAOYSA-N 1 1 274.342 0.121 20 10 CCCDMO CC(=O)c1cc(F)cc(C[N@@H+]2CCC(CO)(CO)C2)c1O ZINC000852630041 614249332 /nfs/dbraw/zinc/24/93/32/614249332.db2.gz NIVQKROWRSQJRE-UHFFFAOYSA-N 1 1 297.326 0.911 20 10 CCCDMO CC(=O)c1cc(F)cc(C[N@H+]2CCC(CO)(CO)C2)c1O ZINC000852630041 614249334 /nfs/dbraw/zinc/24/93/34/614249334.db2.gz NIVQKROWRSQJRE-UHFFFAOYSA-N 1 1 297.326 0.911 20 10 CCCDMO CCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(N)cc2)C1 ZINC000850852482 614708079 /nfs/dbraw/zinc/70/80/79/614708079.db2.gz ILAFGJGSCFJQIC-CYBMUJFWSA-N 1 1 290.367 0.808 20 10 CCCDMO CCOc1cccc(C[N@H+]2CCN(C)C[C@H]2CO)c1O ZINC000877644407 615516257 /nfs/dbraw/zinc/51/62/57/615516257.db2.gz PDXCKVSEDQCKOH-ZDUSSCGKSA-N 1 1 280.368 0.899 20 10 CCCDMO CCOc1cccc(CN2CC[N@H+](C)C[C@H]2CO)c1O ZINC000877644407 615516258 /nfs/dbraw/zinc/51/62/58/615516258.db2.gz PDXCKVSEDQCKOH-ZDUSSCGKSA-N 1 1 280.368 0.899 20 10 CCCDMO CCOc1cccc(CN2CC[N@@H+](C)C[C@H]2CO)c1O ZINC000877644407 615516259 /nfs/dbraw/zinc/51/62/59/615516259.db2.gz PDXCKVSEDQCKOH-ZDUSSCGKSA-N 1 1 280.368 0.899 20 10 CCCDMO C[N@H+](Cc1ccccc1O)CC1CN(S(C)(=O)=O)C1 ZINC000929970892 616171119 /nfs/dbraw/zinc/17/11/19/616171119.db2.gz LPANTRBDERWGMY-UHFFFAOYSA-N 1 1 284.381 0.715 20 10 CCCDMO CNC(=O)[C@@H]1CC[N@@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000894972535 616827668 /nfs/dbraw/zinc/82/76/68/616827668.db2.gz CIXZKSOOBPRWGY-LLVKDONJSA-N 1 1 294.351 0.977 20 10 CCCDMO C[C@H]([NH2+]C[C@]1(CO)COCCN1C)c1ccc(F)cc1O ZINC000903283904 634547219 /nfs/dbraw/zinc/54/72/19/634547219.db2.gz YBQLRKKTTXZLCK-NHYWBVRUSA-N 1 1 298.358 0.875 20 10 CCCDMO Oc1c(F)cc(F)cc1CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000895185564 632018622 /nfs/dbraw/zinc/01/86/22/632018622.db2.gz ADWHOIJTBAXUNG-NWDGAFQWSA-N 1 1 284.306 0.921 20 10 CCCDMO Oc1c(F)cc(F)cc1CN1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000895185564 632018627 /nfs/dbraw/zinc/01/86/27/632018627.db2.gz ADWHOIJTBAXUNG-NWDGAFQWSA-N 1 1 284.306 0.921 20 10 CCCDMO C[C@@H]1C[N@H+](Cc2ccccc2O)CCN1S(C)(=O)=O ZINC000827271411 641994371 /nfs/dbraw/zinc/99/43/71/641994371.db2.gz OYDBPFHNBISMKR-LLVKDONJSA-N 1 1 284.381 0.858 20 10 CCCDMO C[C@@H]1C[N@@H+](Cc2ccccc2O)CCN1S(C)(=O)=O ZINC000827271411 641994373 /nfs/dbraw/zinc/99/43/73/641994373.db2.gz OYDBPFHNBISMKR-LLVKDONJSA-N 1 1 284.381 0.858 20 10 CCCDMO Nc1ccc(CCNC(=O)CC(F)(F)C[NH3+])cc1 ZINC000846665156 643438867 /nfs/dbraw/zinc/43/88/67/643438867.db2.gz GJILOPKDJDLVTN-UHFFFAOYSA-N 1 1 257.284 0.912 20 10 CCCDMO Cc1ccc(C[N@@H+](CCO)CCN2CCOCC2)c(O)c1 ZINC000876624659 646634250 /nfs/dbraw/zinc/63/42/50/646634250.db2.gz OOBNFUTZRHFBPV-UHFFFAOYSA-N 1 1 294.395 0.827 20 10 CCCDMO Cc1ccc(C[N@H+]2CCC[C@@H]2CS(N)(=O)=O)c(O)c1 ZINC000876737750 646652981 /nfs/dbraw/zinc/65/29/81/646652981.db2.gz UCPATPBATSZSTA-GFCCVEGCSA-N 1 1 284.381 0.954 20 10 CCCDMO Cc1ccc(C[N@@H+](C)C[C@H](O)CN2CCOCC2)c(O)c1 ZINC000876758729 646659973 /nfs/dbraw/zinc/65/99/73/646659973.db2.gz HHGSYIPKJULMDB-HNNXBMFYSA-N 1 1 294.395 0.826 20 10 CCCDMO Cc1cccc(O)c1CN1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000877604681 646828271 /nfs/dbraw/zinc/82/82/71/646828271.db2.gz FYYSDJZDDPNGHK-CYBMUJFWSA-N 1 1 262.353 0.951 20 10 CCCDMO Cc1cccc(O)c1CN1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000877604681 646828273 /nfs/dbraw/zinc/82/82/73/646828273.db2.gz FYYSDJZDDPNGHK-CYBMUJFWSA-N 1 1 262.353 0.951 20 10 CCCDMO Cc1cccc(C[N@@H+]2CCN(C)C[C@H]2CO)c1O ZINC000877644905 646831324 /nfs/dbraw/zinc/83/13/24/646831324.db2.gz VGMHWLHZMVOWAR-ZDUSSCGKSA-N 1 1 250.342 0.809 20 10 CCCDMO Cc1ccc(O)c(C[N@@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)c1 ZINC000877719882 646836551 /nfs/dbraw/zinc/83/65/51/646836551.db2.gz HFEXZKCQXSABNX-TXEJJXNPSA-N 1 1 274.320 0.747 20 10 CCCDMO Cc1cccc(O)c1C[N@@H+](C)CCS(N)(=O)=O ZINC000877826312 646846618 /nfs/dbraw/zinc/84/66/18/646846618.db2.gz YSHVGLYUDZUIRT-UHFFFAOYSA-N 1 1 258.343 0.421 20 10 CCCDMO O=C1CN(CCC[NH2+]Cc2cc(F)cc(F)c2O)CCN1 ZINC000883152925 647496098 /nfs/dbraw/zinc/49/60/98/647496098.db2.gz MCYNUZNWPKVTAP-UHFFFAOYSA-N 1 1 299.321 0.582 20 10 CCCDMO C[C@@H]([NH2+]CC(=O)N1CCN(C)CC1)c1c(O)cccc1F ZINC000886516674 647984806 /nfs/dbraw/zinc/98/48/06/647984806.db2.gz SYHVSGYSPWQJHF-LLVKDONJSA-N 1 1 295.358 0.956 20 10 CCCDMO CN(C)c1ccc(C[NH+]2CCN(C(=O)CO)CC2)cc1 ZINC000193452561 649541213 /nfs/dbraw/zinc/54/12/13/649541213.db2.gz FYMBOKASVKTGNK-UHFFFAOYSA-N 1 1 277.368 0.389 20 10 CCCDMO COc1cc(C[N@@H+]2CCCNC(=O)C2)c(O)cc1O ZINC001231633871 805821539 /nfs/dbraw/zinc/82/15/39/805821539.db2.gz BLZMLCXFXSWQHT-UHFFFAOYSA-N 1 1 266.297 0.428 20 10 CCCDMO COc1cc(C[N@H+]2CCCNC(=O)C2)c(O)cc1O ZINC001231633871 805821548 /nfs/dbraw/zinc/82/15/48/805821548.db2.gz BLZMLCXFXSWQHT-UHFFFAOYSA-N 1 1 266.297 0.428 20 10 CCCDMO COc1cc(C[N@H+]2C[C@H]3CN(C)C(=O)[C@H]3C2)c(O)cc1O ZINC001231635484 805822264 /nfs/dbraw/zinc/82/22/64/805822264.db2.gz CZZQOVZYUVVNNV-MNOVXSKESA-N 1 1 292.335 0.626 20 10 CCCDMO COc1cc(C[N@H+]2CC[C@@H](O)[C@@](C)(CO)C2)c(O)cc1O ZINC001231634466 805822924 /nfs/dbraw/zinc/82/29/24/805822924.db2.gz NKMKLOKGKOHREI-HUUCEWRRSA-N 1 1 297.351 0.672 20 10 CCCDMO Cc1cc(C)c(C[N@H+]2CCO[C@H](C(N)=O)C2)c(O)c1 ZINC001231847251 805861185 /nfs/dbraw/zinc/86/11/85/805861185.db2.gz VRVQAZQSGVKQEP-ZDUSSCGKSA-N 1 1 264.325 0.695 20 10 CCCDMO CC(=O)N1CC[N@@H+](Cc2cc(O)c(O)cc2O)C[C@@H]1C ZINC001233486218 806061834 /nfs/dbraw/zinc/06/18/34/806061834.db2.gz 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20 10 CCCDMO COc1cccc(O)c1C[N@H+]1CCC[C@@H]1C(N)=O ZINC000824959353 617305351 /nfs/dbraw/zinc/30/53/51/617305351.db2.gz DZEDDIIOYHBNQU-SNVBAGLBSA-N 1 1 250.298 0.851 20 10 CCCDMO CCN(C)c1ccc(C[N@@H+]2C[C@H](O)C[C@H]2C(N)=O)cc1 ZINC000854115505 614921098 /nfs/dbraw/zinc/92/10/98/614921098.db2.gz VPGRSATUINVROZ-KGLIPLIRSA-N 1 1 277.368 0.563 20 10 CCCDMO CCN(C)c1ccc(C[N@H+]2C[C@H](O)C[C@H]2C(N)=O)cc1 ZINC000854115505 614921103 /nfs/dbraw/zinc/92/11/03/614921103.db2.gz VPGRSATUINVROZ-KGLIPLIRSA-N 1 1 277.368 0.563 20 10 CCCDMO CCOc1cccc(C[N@H+]2CC[C@](O)(C(=O)OC)C2)c1O ZINC000895708569 615516582 /nfs/dbraw/zinc/51/65/82/615516582.db2.gz SLOOKXCUFLVBSX-OAHLLOKOSA-N 1 1 295.335 0.901 20 10 CCCDMO CCc1cccc(C[N@H+]2CCO[C@@H](C(N)=O)C2)c1O ZINC000848885124 615682917 /nfs/dbraw/zinc/68/29/17/615682917.db2.gz MABYNRWJQYYIGF-GFCCVEGCSA-N 1 1 264.325 0.641 20 10 CCCDMO CN(C)c1ccc(C[N@H+]2CC[C@@H](O)[C@@H](O)C2)cc1 ZINC000877749189 616014317 /nfs/dbraw/zinc/01/43/17/616014317.db2.gz PYQPKFUORUXPCC-KGLIPLIRSA-N 1 1 250.342 0.680 20 10 CCCDMO CN1CCN(C(=O)Nc2ccc(N)cc2)CC[N@@H+](C)CC1 ZINC000904501704 616235658 /nfs/dbraw/zinc/23/56/58/616235658.db2.gz WPCYZNCZPWOFDB-UHFFFAOYSA-N 1 1 291.399 0.980 20 10 CCCDMO CN(Cc1ccc(N2CCN(C)CC2)cc1)C1C[NH2+]C1 ZINC000843124445 616247072 /nfs/dbraw/zinc/24/70/72/616247072.db2.gz ARSDNFJJCDNQQR-UHFFFAOYSA-N 1 1 274.412 0.842 20 10 CCCDMO C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCc1ccc(O)c(O)c1 ZINC000901132167 616346517 /nfs/dbraw/zinc/34/65/17/616346517.db2.gz RTAQHFBMWCPGLH-IINYFYTJSA-N 1 1 280.324 0.169 20 10 CCCDMO C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCc1ccc(O)cc1O ZINC000910942381 616346821 /nfs/dbraw/zinc/34/68/21/616346821.db2.gz CGIBGSPZARASAY-SMDDNHRTSA-N 1 1 280.324 0.169 20 10 CCCDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cccc(O)c2O)C1 ZINC000816950173 616361492 /nfs/dbraw/zinc/36/14/92/616361492.db2.gz MUMITQUURHBUNX-ONGXEEELSA-N 1 1 262.309 0.874 20 10 CCCDMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NCc1ccc(O)cc1O ZINC000910942377 616500883 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Cc1ccc(C(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2C)c(O)c1O ZINC000924988741 631698510 /nfs/dbraw/zinc/69/85/10/631698510.db2.gz PTYRSOJKJGMPQX-NXEZZACHSA-N 1 1 280.324 0.201 20 10 CCCDMO C[C@@H]([NH2+]CC(=O)N1CCNCC1)c1ccc(N(C)C)cc1 ZINC000817946564 641282712 /nfs/dbraw/zinc/28/27/12/641282712.db2.gz ZPJZSDUPAJRPTD-CYBMUJFWSA-N 1 1 290.411 0.835 20 10 CCCDMO O[C@H]1COCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000824620429 641835983 /nfs/dbraw/zinc/83/59/83/641835983.db2.gz ODJLYMJFXNAWDT-MRXNPFEDSA-N 1 1 292.379 0.716 20 10 CCCDMO Cc1cccc(O)c1C[N@H+]1CCO[C@H](CC(N)=O)C1 ZINC000877658845 646832618 /nfs/dbraw/zinc/83/26/18/646832618.db2.gz YQAIHCWOGNWYGF-LLVKDONJSA-N 1 1 264.325 0.777 20 10 CCCDMO C[C@H]([NH2+]C[C@@H](O)CS(C)(=O)=O)c1c(O)cccc1F ZINC000927030683 648540968 /nfs/dbraw/zinc/54/09/68/648540968.db2.gz XZSWEHAOWLIUBJ-DTWKUNHWSA-N 1 1 291.344 0.587 20 10 CCCDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(O)c1O ZINC000193014571 649521662 /nfs/dbraw/zinc/52/16/62/649521662.db2.gz BEUURTVVDMZEIT-LLVKDONJSA-N 1 1 294.351 0.938 20 10 CCCDMO COc1cc(C[N@@H+]2CCCN(C)C(=O)C2)c(O)cc1O ZINC001231636650 805823760 /nfs/dbraw/zinc/82/37/60/805823760.db2.gz ZEWZLHSRZJZXIF-UHFFFAOYSA-N 1 1 280.324 0.771 20 10 CCCDMO COc1cc(C[N@H+]2CCCN(C)C(=O)C2)c(O)cc1O ZINC001231636650 805823770 /nfs/dbraw/zinc/82/37/70/805823770.db2.gz ZEWZLHSRZJZXIF-UHFFFAOYSA-N 1 1 280.324 0.771 20 10 CCCDMO COc1cc(C[N@H+]2CC[C@H](O)[C@H](CO)C2)c(O)cc1O ZINC001231633889 805821617 /nfs/dbraw/zinc/82/16/17/805821617.db2.gz CEXRKGGCNRPPSB-QWRGUYRKSA-N 1 1 283.324 0.282 20 10 CCCDMO CN(C)c1ccc(C[N@H+]2CCN3CCOC[C@@H]3C2)c(O)c1 ZINC001232835961 805986435 /nfs/dbraw/zinc/98/64/35/805986435.db2.gz IXSYZFXYOXUJCK-HNNXBMFYSA-N 1 1 291.395 0.975 20 10 CCCDMO COc1cc(Cl)cc(C[NH+]2CC(C(N)=O)C2)c1O ZINC001233290048 806038285 /nfs/dbraw/zinc/03/82/85/806038285.db2.gz FIGAGZXHMRXLOF-UHFFFAOYSA-N 1 1 270.716 0.971 20 10 CCCDMO NC(=O)[C@@H]1CC[N@H+](Cc2c(O)ccc(F)c2F)C1 ZINC001233334860 806045378 /nfs/dbraw/zinc/04/53/78/806045378.db2.gz XCHSNPXFLHGADI-SSDOTTSWSA-N 1 1 256.252 0.978 20 10 CCCDMO NC(=O)[C@@H]1CC[N@@H+](Cc2c(O)ccc(F)c2F)C1 ZINC001233334860 806045386 /nfs/dbraw/zinc/04/53/86/806045386.db2.gz XCHSNPXFLHGADI-SSDOTTSWSA-N 1 1 256.252 0.978 20 10 CCCDMO [O-]c1c(F)ccc(F)c1CN1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001234990328 806335083 /nfs/dbraw/zinc/33/50/83/806335083.db2.gz VQTZOPRYBZKGIR-AWEZNQCLSA-N 1 1 283.322 0.808 20 10 CCCDMO Oc1ccc([C@@H](O)CNC2CC[NH2+]CC2)cc1O ZINC001246071636 807140697 /nfs/dbraw/zinc/14/06/97/807140697.db2.gz BAFHYJFKRPKHFE-ZDUSSCGKSA-N 1 1 252.314 0.473 20 10 CCCDMO CN1CCN(c2ccc(CN3C[C@H]4C[NH2+]C[C@H]43)cc2)CC1 ZINC001236284290 806559676 /nfs/dbraw/zinc/55/96/76/806559676.db2.gz HMUZCRYGFLEIGP-NVXWUHKLSA-N 1 1 286.423 0.842 20 10 CCCDMO CCc1ccc(C[N@H+]2CCN3C(=O)COC[C@H]3C2)c(O)c1 ZINC001236792849 806610914 /nfs/dbraw/zinc/61/09/14/806610914.db2.gz SEZBBOAQGZNVNI-CQSZACIVSA-N 1 1 290.363 0.998 20 10 CCCDMO COc1cc(C)c(C[N@H+]2CC[C@H](CO)[C@H](O)C2)c(O)c1 ZINC001236808594 806612309 /nfs/dbraw/zinc/61/23/09/806612309.db2.gz QQWCTVHFWOUYTA-IAQYHMDHSA-N 1 1 281.352 0.884 20 10 CCCDMO COc1cc(C)c(C[N@H+]2CCOC[C@@H](O)C2)c(O)c1 ZINC001236809201 806612811 /nfs/dbraw/zinc/61/28/11/806612811.db2.gz UMBZPPREFVDZDP-NSHDSACASA-N 1 1 267.325 0.902 20 10 CCCDMO OC[C@@H]1C[N@@H+](Cc2cc(F)ccc2O)CC[C@@H]1O ZINC001140058076 799877781 /nfs/dbraw/zinc/87/77/81/799877781.db2.gz SDEAGOAGTPYJHD-GWCFXTLKSA-N 1 1 255.289 0.706 20 10 CCCDMO OC[C@@H]1CC[N@H+](Cc2cc(F)c(F)cc2O)C[C@@H]1O ZINC001142508548 800126416 /nfs/dbraw/zinc/12/64/16/800126416.db2.gz CLYXEGFTLDXEQR-SDBXPKJASA-N 1 1 273.279 0.846 20 10 CCCDMO OC[C@@H]1CC[N@@H+](Cc2cc(F)c(F)cc2O)C[C@@H]1O ZINC001142508548 800126421 /nfs/dbraw/zinc/12/64/21/800126421.db2.gz CLYXEGFTLDXEQR-SDBXPKJASA-N 1 1 273.279 0.846 20 10 CCCDMO CC[N@@H+]1CCO[C@@H](C(=O)NCc2cc(O)ccc2O)C1 ZINC001153884253 800685552 /nfs/dbraw/zinc/68/55/52/800685552.db2.gz AGRYJJOGKBEXQF-CYBMUJFWSA-N 1 1 280.324 0.435 20 10 CCCDMO CC[N@H+]1CCO[C@@H](C(=O)NCc2cc(O)ccc2O)C1 ZINC001153884253 800685554 /nfs/dbraw/zinc/68/55/54/800685554.db2.gz AGRYJJOGKBEXQF-CYBMUJFWSA-N 1 1 280.324 0.435 20 10 CCCDMO COc1cccc(C[N@H+]2C[C@H](O)[C@H](CO)C2)c1O ZINC001203590498 803035104 /nfs/dbraw/zinc/03/51/04/803035104.db2.gz ZVMXNCXETXZQKO-QWRGUYRKSA-N 1 1 253.298 0.186 20 10 CCCDMO COc1cccc(C[N@H+]2CC[C@](C)(CO)[C@@H](O)C2)c1O ZINC001203589331 803036452 /nfs/dbraw/zinc/03/64/52/803036452.db2.gz GEYIBIUWEVIFTJ-DZGCQCFKSA-N 1 1 281.352 0.966 20 10 CCCDMO COc1ccc(O)c(C[N@H+]2C[C@@H](O)[C@H](CO)C2)c1 ZINC001203670598 803041102 /nfs/dbraw/zinc/04/11/02/803041102.db2.gz UPCVKTQJCWKVOE-GXFFZTMASA-N 1 1 253.298 0.186 20 10 CCCDMO COC(=O)[C@H]1C[N@H+](C)CCN1Cc1ccc(O)c(O)c1 ZINC001203881876 803050731 /nfs/dbraw/zinc/05/07/31/803050731.db2.gz WLEPNYUHZBXJNR-LLVKDONJSA-N 1 1 280.324 0.387 20 10 CCCDMO COC(=O)[C@H]1C[N@@H+](C)CCN1Cc1ccc(O)c(O)c1 ZINC001203881876 803050738 /nfs/dbraw/zinc/05/07/38/803050738.db2.gz WLEPNYUHZBXJNR-LLVKDONJSA-N 1 1 280.324 0.387 20 10 CCCDMO CN(C)C(=O)C1C[NH+](Cc2ccc(O)c(O)c2)C1 ZINC001203882420 803050773 /nfs/dbraw/zinc/05/07/73/803050773.db2.gz IOFFWQIVSTYMKM-UHFFFAOYSA-N 1 1 250.298 0.618 20 10 CCCDMO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3ccc(O)cc3O)C[C@@H]21 ZINC001204279016 803076470 /nfs/dbraw/zinc/07/64/70/803076470.db2.gz NRVQNELNNWKPKV-PJXYFTJBSA-N 1 1 263.293 0.949 20 10 CCCDMO CN(C1COC1)C1C[NH+](Cc2ccc(O)cc2O)C1 ZINC001204278886 803077105 /nfs/dbraw/zinc/07/71/05/803077105.db2.gz LTISVRNOBXHCOX-UHFFFAOYSA-N 1 1 264.325 0.613 20 10 CCCDMO [NH3+][C@@H]1CN(Cc2ccc(F)c(F)c2O)CC[C@H]1O ZINC001206102071 803208087 /nfs/dbraw/zinc/20/80/87/803208087.db2.gz MCCQDVIBBOTQTL-NXEZZACHSA-N 1 1 258.268 0.564 20 10 CCCDMO CN1CCO[C@H]2C[N@@H+](Cc3cc(O)c(O)cc3O)C[C@@H]21 ZINC001276517007 803369087 /nfs/dbraw/zinc/36/90/87/803369087.db2.gz ZAHQMJFRQHUAES-HZMBPMFUSA-N 1 1 280.324 0.318 20 10 CCCDMO COC(=O)[C@H](O)C[N@H+]1CCc2cccc(O)c2C1 ZINC001252428780 807845237 /nfs/dbraw/zinc/84/52/37/807845237.db2.gz VCQWGATXOHYFNL-GFCCVEGCSA-N 1 1 251.282 0.284 20 10 CCCDMO C[N@@H+](Cc1ccccc1O)CC1(O)CCS(=O)(=O)CC1 ZINC001253940904 808161231 /nfs/dbraw/zinc/16/12/31/808161231.db2.gz FKWUEXRBRPVNCS-UHFFFAOYSA-N 1 1 299.392 0.764 20 10 CCCDMO CNC(=O)[C@H]1CC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000398510136 811942009 /nfs/dbraw/zinc/94/20/09/811942009.db2.gz OXKXDOKXPYZZMS-VIFPVBQESA-N 1 1 278.308 0.689 20 10 CCCDMO C[N@@H+]1CC[C@](O)(C[NH2+]Cc2ccc(F)c(F)c2[O-])C1 ZINC000703418379 819270978 /nfs/dbraw/zinc/27/09/78/819270978.db2.gz WQUYOYPWVBXKFT-ZDUSSCGKSA-N 1 1 272.295 0.827 20 10 CCCDMO C[N@H+]1CC[C@](O)(C[NH2+]Cc2ccc(F)c(F)c2[O-])C1 ZINC000703418379 819270983 /nfs/dbraw/zinc/27/09/83/819270983.db2.gz WQUYOYPWVBXKFT-ZDUSSCGKSA-N 1 1 272.295 0.827 20 10 CCCDMO Oc1c(F)cc(F)cc1C[NH2+][C@@H]1CCOC[C@H]1O ZINC000708393498 819774233 /nfs/dbraw/zinc/77/42/33/819774233.db2.gz GEEPWMIULNXRTP-GHMZBOCLSA-N 1 1 259.252 0.910 20 10 CCCDMO CC(=O)N1CC[C@H]([NH2+]CC(=O)c2ccc(O)c(O)c2)C1 ZINC001169510070 836315269 /nfs/dbraw/zinc/31/52/69/836315269.db2.gz JOBDDXMCTNHKIF-NSHDSACASA-N 1 1 278.308 0.491 20 10 CCCDMO COc1ccc(C[N@H+]2C[C@H](O)[C@@H](CO)C2)c(O)c1 ZINC001203621569 844442440 /nfs/dbraw/zinc/44/24/40/844442440.db2.gz XLTRVBQNPXOROP-MFKMUULPSA-N 1 1 253.298 0.186 20 10 CCCDMO Oc1cc(O)c(C[N@H+]2CC[C@H](N3CCOCC3)C2)c(O)c1 ZINC001144509002 840072731 /nfs/dbraw/zinc/07/27/31/840072731.db2.gz GZPJBBDMZTZEFY-NSHDSACASA-N 1 1 294.351 0.710 20 10 CCCDMO C[C@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CC[N@@H+]1C ZINC001146525680 840317962 /nfs/dbraw/zinc/31/79/62/840317962.db2.gz FYGFDQWHOUDKFO-JTQLQIEISA-N 1 1 264.325 0.803 20 10 CCCDMO C[C@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CC[N@H+]1C ZINC001146525680 840317973 /nfs/dbraw/zinc/31/79/73/840317973.db2.gz FYGFDQWHOUDKFO-JTQLQIEISA-N 1 1 264.325 0.803 20 10 CCCDMO CC1(C)C[N@@H+](Cc2ccc(O)cc2O)CCN1CC(N)=O ZINC001204278284 843265556 /nfs/dbraw/zinc/26/55/56/843265556.db2.gz CWAXQNNNQLLMRV-UHFFFAOYSA-N 1 1 293.367 0.479 20 10 CCCDMO COc1ccc(O)c(C[N@H+]2C[C@H]3CN(C)C[C@@H](C2)O3)c1 ZINC001275278342 848683605 /nfs/dbraw/zinc/68/36/05/848683605.db2.gz IJGOZFKWCOVDHR-OKILXGFUSA-N 1 1 278.352 0.916 20 10 CCCDMO COc1ccc(O)c(C[N@@H+]2C[C@H]3CN(C)C[C@@H](C2)O3)c1 ZINC001275278342 848683606 /nfs/dbraw/zinc/68/36/06/848683606.db2.gz IJGOZFKWCOVDHR-OKILXGFUSA-N 1 1 278.352 0.916 20 10 CCCDMO COc1ccc(O)c(CN2C[C@@H]3C[N@@H+](C)C[C@H](C2)O3)c1 ZINC001275278342 848683612 /nfs/dbraw/zinc/68/36/12/848683612.db2.gz IJGOZFKWCOVDHR-OKILXGFUSA-N 1 1 278.352 0.916 20 10 CCCDMO COc1ccc(O)c(CN2C[C@@H]3C[N@H+](C)C[C@H](C2)O3)c1 ZINC001275278342 848683615 /nfs/dbraw/zinc/68/36/15/848683615.db2.gz IJGOZFKWCOVDHR-OKILXGFUSA-N 1 1 278.352 0.916 20 10 CCCDMO C[N@@H+](CCNS(C)(=O)=O)Cc1ccc(N)cc1 ZINC001334753922 919742672 /nfs/dbraw/zinc/74/26/72/919742672.db2.gz IPWMFXGYTVQUAM-UHFFFAOYSA-N 1 1 257.359 0.250 20 10 CCCDMO C[NH2+][C@H](C(=O)NCc1ccc(N)cc1)c1cnn(C)c1 ZINC001343567678 923375743 /nfs/dbraw/zinc/37/57/43/923375743.db2.gz SLWVYYHKNVYTQY-ZDUSSCGKSA-N 1 1 273.340 0.579 20 10 CCCDMO CC(C)(C(N)=O)N1CC[NH+](Cc2ccc(N)cc2)CC1 ZINC001345159792 923816840 /nfs/dbraw/zinc/81/68/40/923816840.db2.gz LSSZXTGJWXBLTE-UHFFFAOYSA-N 1 1 276.384 0.650 20 10 CCCDMO COCC[N@H+]1CC[C@@H](NC(=O)c2ccc(C)c(O)c2O)C1 ZINC000272893437 353104081 /nfs/dbraw/zinc/10/40/81/353104081.db2.gz ZPLYLXUBUYJHPP-LLVKDONJSA-N 1 1 294.351 0.857 20 10 CCCDMO Cc1cc(O)c(C[N@H+]2C[C@H](O)C[C@H]2CO)cc1C ZINC000364322810 357108516 /nfs/dbraw/zinc/10/85/16/357108516.db2.gz GYMYQOJXYZWGIR-QWHCGFSZSA-N 1 1 251.326 0.937 20 10 CCCDMO CN(C)c1ccc(C[N@H+]2CCOC[C@@H](O)C2)cc1 ZINC000294687811 199134220 /nfs/dbraw/zinc/13/42/20/199134220.db2.gz CBJNVCVHYMELHE-AWEZNQCLSA-N 1 1 250.342 0.946 20 10 CCCDMO COc1c(O)c(C[NH2+][C@H]2C[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000294728743 199156008 /nfs/dbraw/zinc/15/60/08/199156008.db2.gz BJIAHOYMSDQULA-DTORHVGOSA-N 1 1 268.269 0.922 20 10 CCCDMO CNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cccc(C)c2O)C1 ZINC000373226889 389466885 /nfs/dbraw/zinc/46/68/85/389466885.db2.gz DFHJRVXELNTAIU-GFCCVEGCSA-N 1 1 284.381 0.824 20 10 CCCDMO COc1cccc(C[N@H+](C)CC(=O)N2CCOCC2)c1O ZINC000179676861 389661381 /nfs/dbraw/zinc/66/13/81/389661381.db2.gz GMYNJAMIWMAZLH-UHFFFAOYSA-N 1 1 294.351 0.691 20 10 CCCDMO COc1cccc(C[N@@H+](C)CC(=O)N2CCOCC2)c1O ZINC000179676861 389661386 /nfs/dbraw/zinc/66/13/86/389661386.db2.gz GMYNJAMIWMAZLH-UHFFFAOYSA-N 1 1 294.351 0.691 20 10 CCCDMO COc1cccc(C[NH+]2CCN(CC(N)=O)CC2)c1O ZINC000179835850 389663341 /nfs/dbraw/zinc/66/33/41/389663341.db2.gz CODKBMJJLDFUFH-UHFFFAOYSA-N 1 1 279.340 0.004 20 10 CCCDMO COCCC[N@@H+](CCO)Cc1cc2c(cc1O)OCO2 ZINC000275706492 292342308 /nfs/dbraw/zinc/34/23/08/292342308.db2.gz CDLIFCCNEWGKNZ-UHFFFAOYSA-N 1 1 283.324 0.952 20 10 CCCDMO CC[N@@H+]1CCO[C@@H](C(=O)NCc2ccc(O)c(O)c2)C1 ZINC000159067774 521705100 /nfs/dbraw/zinc/70/51/00/521705100.db2.gz GRLUPMVNUWKUTR-CYBMUJFWSA-N 1 1 280.324 0.435 20 10 CCCDMO CC[N@H+]1CCO[C@@H](C(=O)NCc2ccc(O)c(O)c2)C1 ZINC000159067774 521705102 /nfs/dbraw/zinc/70/51/02/521705102.db2.gz GRLUPMVNUWKUTR-CYBMUJFWSA-N 1 1 280.324 0.435 20 10 CCCDMO CC[N@@H+]1CCO[C@@H](C(=O)NCCc2ccc(O)c(O)c2)C1 ZINC000156688758 521705314 /nfs/dbraw/zinc/70/53/14/521705314.db2.gz MJKVMDIOBJVZPO-CQSZACIVSA-N 1 1 294.351 0.477 20 10 CCCDMO CC[N@H+]1CCO[C@@H](C(=O)NCCc2ccc(O)c(O)c2)C1 ZINC000156688758 521705315 /nfs/dbraw/zinc/70/53/15/521705315.db2.gz MJKVMDIOBJVZPO-CQSZACIVSA-N 1 1 294.351 0.477 20 10 CCCDMO COc1c(O)c(C[NH2+][C@H](C)CO)ccc1[N+](=O)[O-] ZINC000278487505 521883078 /nfs/dbraw/zinc/88/30/78/521883078.db2.gz KVLHLBKLUYJLGX-SSDOTTSWSA-N 1 1 256.258 0.779 20 10 CCCDMO C[C@H](O)C[NH+]1CCN(C(=O)c2cccc(O)c2O)CC1 ZINC000280619521 525764045 /nfs/dbraw/zinc/76/40/45/525764045.db2.gz ZPPMHOJDMOKEGN-JTQLQIEISA-N 1 1 280.324 0.236 20 10 CCCDMO Cc1cccc(C[N@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)c1O ZINC000779432401 581185496 /nfs/dbraw/zinc/18/54/96/581185496.db2.gz FHUJFUNPKBAZMO-NSHDSACASA-N 1 1 275.308 0.437 20 10 CCCDMO Cc1ccc(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)c(O)c1O ZINC000780982859 581254133 /nfs/dbraw/zinc/25/41/33/581254133.db2.gz CFLZGQZCEHSZDN-JQWIXIFHSA-N 1 1 294.351 0.855 20 10 CCCDMO Cc1ccc(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)c(O)c1O ZINC000780982859 581254134 /nfs/dbraw/zinc/25/41/34/581254134.db2.gz CFLZGQZCEHSZDN-JQWIXIFHSA-N 1 1 294.351 0.855 20 10 CCCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@]2(O)CCOC2)c1 ZINC000756770484 581677976 /nfs/dbraw/zinc/67/79/76/581677976.db2.gz XUMBNYOLPVYPAF-MEBBXXQBSA-N 1 1 295.335 0.981 20 10 CCCDMO COc1cccc(O)c1C[N@H+](C)[C@@H]1CCNC1=O ZINC000770379187 581740719 /nfs/dbraw/zinc/74/07/19/581740719.db2.gz IZAYLFMYDBLCLY-SNVBAGLBSA-N 1 1 250.298 0.721 20 10 CCCDMO COc1cccc(O)c1C[N@@H+](C)[C@@H]1CCNC1=O ZINC000770379187 581740721 /nfs/dbraw/zinc/74/07/21/581740721.db2.gz IZAYLFMYDBLCLY-SNVBAGLBSA-N 1 1 250.298 0.721 20 10 CCCDMO C[N@H+]1CC[C@@H](C(=O)NCCc2ccc(O)c(O)c2)C1 ZINC000762268352 581937459 /nfs/dbraw/zinc/93/74/59/581937459.db2.gz CVOUEXIUHZMWQW-LLVKDONJSA-N 1 1 264.325 0.708 20 10 CCCDMO CC(C)NC(=O)C[N@H+](C)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768441851 582106701 /nfs/dbraw/zinc/10/67/01/582106701.db2.gz LDJCRAWWXJSXGC-ZDUSSCGKSA-N 1 1 294.351 0.774 20 10 CCCDMO CC(C)NC(=O)C[N@@H+](C)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768441851 582106702 /nfs/dbraw/zinc/10/67/02/582106702.db2.gz LDJCRAWWXJSXGC-ZDUSSCGKSA-N 1 1 294.351 0.774 20 10 CCCDMO COc1ccc(N2CC[NH+](C[C@H](O)CO)CC2)cc1F ZINC000929821177 617268029 /nfs/dbraw/zinc/26/80/29/617268029.db2.gz MDOSUKSEUYLFIX-LBPRGKRZSA-N 1 1 284.331 0.310 20 10 CCCDMO COc1cccc(CNC(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)c1O ZINC000901128339 617299654 /nfs/dbraw/zinc/29/96/54/617299654.db2.gz XLWZTYBGPUTTKK-ABAIWWIYSA-N 1 1 294.351 0.472 20 10 CCCDMO COc1ccccc1NC[C@@H](O)CN1CC[NH+](C)CC1 ZINC000819393711 617316486 /nfs/dbraw/zinc/31/64/86/617316486.db2.gz GLYNSQGLOFVLOK-CYBMUJFWSA-N 1 1 279.384 0.715 20 10 CCCDMO CC(=O)C(=O)COC(=O)C1C[NH+](C2CCCCC2)C1 ZINC000838464048 613658201 /nfs/dbraw/zinc/65/82/01/613658201.db2.gz KHPJGJJILODYOX-UHFFFAOYSA-N 1 1 267.325 0.952 20 10 CCCDMO CCc1cccc(C[N@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)c1O ZINC000848900795 615682858 /nfs/dbraw/zinc/68/28/58/615682858.db2.gz JZHTWMKSHSXHSV-LBPRGKRZSA-N 1 1 289.335 0.691 20 10 CCCDMO CC[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(N)cc1 ZINC000841135033 615909843 /nfs/dbraw/zinc/90/98/43/615909843.db2.gz AWGRAXFNUKDUSG-ZDUSSCGKSA-N 1 1 290.367 0.760 20 10 CCCDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc(N)cc1 ZINC000841135033 615909844 /nfs/dbraw/zinc/90/98/44/615909844.db2.gz AWGRAXFNUKDUSG-ZDUSSCGKSA-N 1 1 290.367 0.760 20 10 CCCDMO C[N@H+](CCS(N)(=O)=O)Cc1cc(F)ccc1O ZINC000877827481 616121485 /nfs/dbraw/zinc/12/14/85/616121485.db2.gz XDMLSXHYMRDTIN-UHFFFAOYSA-N 1 1 262.306 0.252 20 10 CCCDMO C[N@@H+](CCS(N)(=O)=O)Cc1cc(F)ccc1O ZINC000877827481 616121486 /nfs/dbraw/zinc/12/14/86/616121486.db2.gz XDMLSXHYMRDTIN-UHFFFAOYSA-N 1 1 262.306 0.252 20 10 CCCDMO C[N@@H+]1CCN(Cc2cc(F)ccc2O)[C@@H](CO)C1 ZINC000877643464 616244688 /nfs/dbraw/zinc/24/46/88/616244688.db2.gz FNHVTWKULPPBNH-GFCCVEGCSA-N 1 1 254.305 0.640 20 10 CCCDMO C[N@H+]1CCN(Cc2cc(F)ccc2O)[C@@H](CO)C1 ZINC000877643464 616244689 /nfs/dbraw/zinc/24/46/89/616244689.db2.gz FNHVTWKULPPBNH-GFCCVEGCSA-N 1 1 254.305 0.640 20 10 CCCDMO C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCc1c(O)cccc1F ZINC000928709713 616319134 /nfs/dbraw/zinc/31/91/34/616319134.db2.gz DOWWKILIDMHFLH-XPTSAGLGSA-N 1 1 282.315 0.603 20 10 CCCDMO C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCc1c(O)cccc1F ZINC000928709713 616319139 /nfs/dbraw/zinc/31/91/39/616319139.db2.gz DOWWKILIDMHFLH-XPTSAGLGSA-N 1 1 282.315 0.603 20 10 CCCDMO C[N@H+]1CC[C@@](O)(CNC(=O)c2c(F)ccc(O)c2O)C1 ZINC000828505283 616349304 /nfs/dbraw/zinc/34/93/04/616349304.db2.gz MBFRKTUGSRAZMD-CYBMUJFWSA-N 1 1 284.287 0.033 20 10 CCCDMO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](Cc2ccccc2O)C1 ZINC000843434390 616478488 /nfs/dbraw/zinc/47/84/88/616478488.db2.gz KRZDHDXHOKHEQT-NEPJUHHUSA-N 1 1 265.309 0.748 20 10 CCCDMO CO[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)C[C@H]1O ZINC000825016752 616776347 /nfs/dbraw/zinc/77/63/47/616776347.db2.gz HKOAUAYECRPQCG-ZWNOBZJWSA-N 1 1 267.281 0.312 20 10 CCCDMO Cc1ccc(O)c(C[N@H+]2CC[C@@H](CS(N)(=O)=O)C2)c1 ZINC000897058436 632383823 /nfs/dbraw/zinc/38/38/23/632383823.db2.gz OXDVKNVHNRNCRN-LLVKDONJSA-N 1 1 284.381 0.811 20 10 CCCDMO Cc1cc(CN(C)C[C@H](O)C[NH3+])ccc1N(C)C ZINC000923367769 640105636 /nfs/dbraw/zinc/10/56/36/640105636.db2.gz XIVCKZZELFVZRG-CYBMUJFWSA-N 1 1 251.374 0.812 20 10 CCCDMO Cc1cc(C[N@@H+]2CCO[C@H](C(N)=O)C2)ccc1N(C)C ZINC000815031660 641088674 /nfs/dbraw/zinc/08/86/74/641088674.db2.gz ZSOJFASGNDQSAA-AWEZNQCLSA-N 1 1 277.368 0.747 20 10 CCCDMO Cc1cc(C[N@H+]2CCO[C@H](C(N)=O)C2)ccc1N(C)C ZINC000815031660 641088676 /nfs/dbraw/zinc/08/86/76/641088676.db2.gz ZSOJFASGNDQSAA-AWEZNQCLSA-N 1 1 277.368 0.747 20 10 CCCDMO Cc1ccc(O)c([C@H](C)[NH2+]CC(=O)N2CCNCC2)c1 ZINC000817945556 641281563 /nfs/dbraw/zinc/28/15/63/641281563.db2.gz GDCRQTURVPHZHP-LBPRGKRZSA-N 1 1 277.368 0.783 20 10 CCCDMO OCCO[C@@]1(C[NH2+]Cc2cccc(F)c2O)CCOC1 ZINC000826943705 641969542 /nfs/dbraw/zinc/96/95/42/641969542.db2.gz YQSQTLURWIVJOI-CQSZACIVSA-N 1 1 285.315 0.789 20 10 CCCDMO C[C@@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)C(N)=O ZINC000862350061 644994577 /nfs/dbraw/zinc/99/45/77/644994577.db2.gz DMJGLQBHYWPOCE-SSDOTTSWSA-N 1 1 257.284 0.994 20 10 CCCDMO Cc1ccc(O)c(CNC(=O)[C@@H]2C[N@H+]3CCN2CCC3)c1 ZINC000862758144 645034781 /nfs/dbraw/zinc/03/47/81/645034781.db2.gz QFTCBLWSVZZOJC-AWEZNQCLSA-N 1 1 289.379 0.707 20 10 CCCDMO O=C(NCC[N@@H+]1CC[C@@H](O)C1)c1c(F)ccc(O)c1O ZINC000863940918 645144735 /nfs/dbraw/zinc/14/47/35/645144735.db2.gz QONINZWUNFVQLD-MRVPVSSYSA-N 1 1 284.287 0.033 20 10 CCCDMO Cc1ccc(C[N@H+]2CC[C@H](NS(C)(=O)=O)C2)c(O)c1 ZINC000876749641 646657081 /nfs/dbraw/zinc/65/70/81/646657081.db2.gz BTZGAUUSFSBGTF-LBPRGKRZSA-N 1 1 284.381 0.824 20 10 CCCDMO OCc1cn(CCC[NH2+]Cc2cc(F)cc(F)c2O)nn1 ZINC000883121674 647491953 /nfs/dbraw/zinc/49/19/53/647491953.db2.gz OZNVQVGAMPIWAG-UHFFFAOYSA-N 1 1 298.293 0.934 20 10 CCCDMO Cc1ccc(C(=O)N2CC[N@H+](CCO)[C@H](C)C2)c(O)c1O ZINC000187281437 648355228 /nfs/dbraw/zinc/35/52/28/648355228.db2.gz KFGIJTGZZFQZCP-LLVKDONJSA-N 1 1 294.351 0.545 20 10 CCCDMO Cc1ccc(C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c(O)c1O ZINC000187281437 648355230 /nfs/dbraw/zinc/35/52/30/648355230.db2.gz KFGIJTGZZFQZCP-LLVKDONJSA-N 1 1 294.351 0.545 20 10 CCCDMO COc1ccc(O)c(C[N@H+]2C[C@H](CO)O[C@@H](C)C2)c1 ZINC000191536394 649482375 /nfs/dbraw/zinc/48/23/75/649482375.db2.gz DMAVJXKXBSLYFF-GXFFZTMASA-N 1 1 267.325 0.982 20 10 CCCDMO COc1ccc(O)c(C[N@@H+]2C[C@H](CO)O[C@@H](C)C2)c1 ZINC000191536394 649482378 /nfs/dbraw/zinc/48/23/78/649482378.db2.gz DMAVJXKXBSLYFF-GXFFZTMASA-N 1 1 267.325 0.982 20 10 CCCDMO C[N@@H+]1C[C@H]2CN(C(=O)Cc3ccc(N)cc3)C[C@H]2C1 ZINC000705639905 790602121 /nfs/dbraw/zinc/60/21/21/790602121.db2.gz DVYJXTUIYFDEKI-BETUJISGSA-N 1 1 259.353 0.831 20 10 CCCDMO COc1cc(N(C)C)ccc1C[N@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC001231848144 805862237 /nfs/dbraw/zinc/86/22/37/805862237.db2.gz GXCMQWAHLHZSDN-HIFRSBDPSA-N 1 1 294.395 0.936 20 10 CCCDMO C[N@H+](Cc1cc(Cl)c(O)cc1O)C[C@@H](O)CO ZINC001232257535 805914430 /nfs/dbraw/zinc/91/44/30/805914430.db2.gz GYWMTRIZRJUYQB-MRVPVSSYSA-N 1 1 261.705 0.536 20 10 CCCDMO CN(C)c1ccc(C[N@H+]2CCOC[C@H](O)C2)c(O)c1 ZINC001232835440 805986229 /nfs/dbraw/zinc/98/62/29/805986229.db2.gz CJNLDSWXVHROCT-CYBMUJFWSA-N 1 1 266.341 0.651 20 10 CCCDMO COC[C@]12COC[C@H]1C[N@@H+](Cc1cc(O)c(O)c(O)c1)C2 ZINC001233014173 806005829 /nfs/dbraw/zinc/00/58/29/806005829.db2.gz WJWNWQCJFKUTRT-IAQYHMDHSA-N 1 1 295.335 0.898 20 10 CCCDMO CNC(=O)CC[N@@H+](C)Cc1cc(O)c(O)c(O)c1 ZINC001233013164 806006714 /nfs/dbraw/zinc/00/67/14/806006714.db2.gz NHQKIJZVGQLGDF-UHFFFAOYSA-N 1 1 254.286 0.371 20 10 CCCDMO O=C1NC[C@@H]2CC[N@H+](Cc3cc(O)c(O)cc3O)C[C@H]12 ZINC001233485999 806062773 /nfs/dbraw/zinc/06/27/73/806062773.db2.gz TXFRVHALDZMSOX-WPRPVWTQSA-N 1 1 278.308 0.371 20 10 CCCDMO COc1cc(O)c(C[N@H+]2CC[C@H](CO)[C@@H](O)C2)cc1OC ZINC001236750729 806607452 /nfs/dbraw/zinc/60/74/52/806607452.db2.gz XZMHRGWQLPUUHS-MFKMUULPSA-N 1 1 297.351 0.585 20 10 CCCDMO COc1cc(O)c(C[N@@H+](C)C[C@H](O)CO)cc1OC ZINC001236752618 806607656 /nfs/dbraw/zinc/60/76/56/806607656.db2.gz YHQSMBUXOMBOSQ-JTQLQIEISA-N 1 1 271.313 0.194 20 10 CCCDMO CCOc1ccc(C[N@@H+]2C[C@H](CO)[C@H](O)C2)c(O)c1 ZINC001237046327 806633301 /nfs/dbraw/zinc/63/33/01/806633301.db2.gz AHQPLJHDHZOTRI-BXUZGUMPSA-N 1 1 267.325 0.576 20 10 CCCDMO CN1CCN(C(=O)Cc2ccc(N)cc2)CC[N@@H+](C)CC1 ZINC001122290119 799188361 /nfs/dbraw/zinc/18/83/61/799188361.db2.gz BVMNPXWZMXGLSV-UHFFFAOYSA-N 1 1 290.411 0.517 20 10 CCCDMO COC(=O)[C@H]1C[N@H+](Cc2cc(F)ccc2O)CCN1C ZINC001140058928 799878380 /nfs/dbraw/zinc/87/83/80/799878380.db2.gz PFRYYOJFFSRCOY-GFCCVEGCSA-N 1 1 282.315 0.820 20 10 CCCDMO COC(=O)[C@H]1C[N@@H+](Cc2cc(F)ccc2O)CCN1C ZINC001140058928 799878389 /nfs/dbraw/zinc/87/83/89/799878389.db2.gz PFRYYOJFFSRCOY-GFCCVEGCSA-N 1 1 282.315 0.820 20 10 CCCDMO Cc1c(O)ccc(C[N@H+]2CC[C@H](CO)[C@H](O)C2)c1O ZINC001140743875 799937725 /nfs/dbraw/zinc/93/77/25/799937725.db2.gz CLVCFCZTNYERAH-DGCLKSJQSA-N 1 1 267.325 0.581 20 10 CCCDMO OC[C@H]1C[N@@H+](Cc2cc(O)ccc2O)CC[C@@H]1O ZINC001141156570 799984955 /nfs/dbraw/zinc/98/49/55/799984955.db2.gz NNFQKGSOOFFWJX-MFKMUULPSA-N 1 1 253.298 0.273 20 10 CCCDMO COc1ccc(C[N@H+]2CC[C@H](O)[C@](C)(CO)C2)c(O)c1 ZINC001203621540 803038375 /nfs/dbraw/zinc/03/83/75/803038375.db2.gz WZOJPKCVEKDGOP-GJZGRUSLSA-N 1 1 281.352 0.966 20 10 CCCDMO CS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc(O)cc2O)C1 ZINC001204275312 803075422 /nfs/dbraw/zinc/07/54/22/803075422.db2.gz OMRWPUBOLBFOLV-LLVKDONJSA-N 1 1 271.338 0.717 20 10 CCCDMO CS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccc(O)cc2O)C1 ZINC001204275312 803075428 /nfs/dbraw/zinc/07/54/28/803075428.db2.gz OMRWPUBOLBFOLV-LLVKDONJSA-N 1 1 271.338 0.717 20 10 CCCDMO O=C1COC[C@H]2C[N@H+](Cc3ccc(O)cc3O)CCN12 ZINC001204280364 803077151 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ZINC000278566710 263049243 /nfs/dbraw/zinc/04/92/43/263049243.db2.gz BYYSMAWBBBTFAF-VIFPVBQESA-N 1 1 295.295 0.629 20 10 CCCDMO CCOc1ccc(O)c(C[NH+]2CCN(C(=O)CO)CC2)c1 ZINC000793594932 581303946 /nfs/dbraw/zinc/30/39/46/581303946.db2.gz VBGZHHBHGWCWAJ-UHFFFAOYSA-N 1 1 294.351 0.427 20 10 CCCDMO O=C(CO)N1CC[NH+](Cc2ccccc2O)CC1 ZINC000793593445 581303957 /nfs/dbraw/zinc/30/39/57/581303957.db2.gz MWWPJLCGTJZRFV-UHFFFAOYSA-N 1 1 250.298 0.029 20 10 CCCDMO CCOc1ccc(O)c(C[N@@H+]2C[C@H](O)C[C@H](O)C2)c1 ZINC000769564121 581696214 /nfs/dbraw/zinc/69/62/14/581696214.db2.gz KSMIDUXXYFEXAD-TXEJJXNPSA-N 1 1 267.325 0.718 20 10 CCCDMO Cc1cc(O)c(C[N@@H+]2C[C@H](O)C[C@H](O)C2)cc1C ZINC000769564280 581696272 /nfs/dbraw/zinc/69/62/72/581696272.db2.gz OMXOTPBLFRJTDS-BETUJISGSA-N 1 1 251.326 0.937 20 10 CCCDMO C[C@@H](CC(N)=O)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000771844712 581829996 /nfs/dbraw/zinc/82/99/96/581829996.db2.gz ACYWKFFULFHJJJ-ZDUSSCGKSA-N 1 1 290.411 0.792 20 10 CCCDMO C[N@@H+]1CC[C@](O)(C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000762569060 581950980 /nfs/dbraw/zinc/95/09/80/581950980.db2.gz QMDVIRJYHPFAAQ-ZDUSSCGKSA-N 1 1 281.312 0.457 20 10 CCCDMO C[N@H+]1CC[C@](O)(C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000762569060 581950982 /nfs/dbraw/zinc/95/09/82/581950982.db2.gz QMDVIRJYHPFAAQ-ZDUSSCGKSA-N 1 1 281.312 0.457 20 10 CCCDMO COc1cc(C[N@H+](C)CCS(N)(=O)=O)c(O)cc1C ZINC000872821999 617184300 /nfs/dbraw/zinc/18/43/00/617184300.db2.gz RJCAFQMILBPWHB-UHFFFAOYSA-N 1 1 288.369 0.430 20 10 CCCDMO COc1cc(C[N@@H+](C)CCS(N)(=O)=O)c(O)cc1C ZINC000872821999 617184301 /nfs/dbraw/zinc/18/43/01/617184301.db2.gz RJCAFQMILBPWHB-UHFFFAOYSA-N 1 1 288.369 0.430 20 10 CCCDMO COc1cccc(C[N@H+]2CCN(CCO)C[C@@H]2C)c1O ZINC000825338651 617297402 /nfs/dbraw/zinc/29/74/02/617297402.db2.gz SKXYPKFLUHPLAS-LBPRGKRZSA-N 1 1 280.368 0.899 20 10 CCCDMO COc1cccc(CN2CC[N@H+](CCO)C[C@@H]2C)c1O ZINC000825338651 617297403 /nfs/dbraw/zinc/29/74/03/617297403.db2.gz 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COc1cccc(C[N@H+]2CCN3C(=O)COC[C@H]3C2)c1O ZINC001203597115 803036467 /nfs/dbraw/zinc/03/64/67/803036467.db2.gz VRKSDAUSESXUFQ-GFCCVEGCSA-N 1 1 292.335 0.444 20 10 CCCDMO CN1C[C@@H]2C[N@@H+](Cc3ccc(O)c(O)c3)C[C@@H]2C1=O ZINC001203877163 803051060 /nfs/dbraw/zinc/05/10/60/803051060.db2.gz NMOYPLXPLAWZQU-MNOVXSKESA-N 1 1 262.309 0.618 20 10 CCCDMO Oc1ccc(C[NH+]2CC(N3CC(F)C3)C2)c(O)c1 ZINC001204273131 803074970 /nfs/dbraw/zinc/07/49/70/803074970.db2.gz ZEOXHJCIGKDQAL-UHFFFAOYSA-N 1 1 252.289 0.936 20 10 CCCDMO COC[C@@H]1COCC[N@@H+]1Cc1ccc(O)cc1O ZINC001204277531 803076562 /nfs/dbraw/zinc/07/65/62/803076562.db2.gz FHWBKXKNXFKLSE-LLVKDONJSA-N 1 1 253.298 0.945 20 10 CCCDMO COC[C@@H]1COCC[N@H+]1Cc1ccc(O)cc1O ZINC001204277531 803076569 /nfs/dbraw/zinc/07/65/69/803076569.db2.gz FHWBKXKNXFKLSE-LLVKDONJSA-N 1 1 253.298 0.945 20 10 CCCDMO COC(=O)CO[C@H]1CC[N@@H+](Cc2ccc(O)cc2O)C1 ZINC001204281803 803077126 /nfs/dbraw/zinc/07/71/26/803077126.db2.gz KOAOOWXHWXXUKH-LBPRGKRZSA-N 1 1 281.308 0.862 20 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VCJIYHVIWXFWMB-VXGBXAGGSA-N 1 1 264.325 0.633 20 10 CCCDMO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(C)cc2O)C[C@H]1N ZINC001236352181 817281967 /nfs/dbraw/zinc/28/19/67/817281967.db2.gz VCJIYHVIWXFWMB-VXGBXAGGSA-N 1 1 264.325 0.633 20 10 CCCDMO [NH3+]CCN(c1cccnc1)c1ncnc2c1CNCC2 ZINC001168830862 836016643 /nfs/dbraw/zinc/01/66/43/836016643.db2.gz AMDYHKPDCWSEMU-UHFFFAOYSA-N 1 1 270.340 0.614 20 10 CCCDMO OC[C@@H]1C[C@@H](F)C[N@@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144499170 840065540 /nfs/dbraw/zinc/06/55/40/840065540.db2.gz CXZYXVYOAPOYTN-RKDXNWHRSA-N 1 1 271.288 0.956 20 10 CCCDMO CN1C[C@@H]2C[C@H]1C[N@H+]2Cc1c(O)cc(O)cc1O ZINC001144514485 840075205 /nfs/dbraw/zinc/07/52/05/840075205.db2.gz HLXTVJMJFODUEZ-IUCAKERBSA-N 1 1 250.298 0.692 20 10 CCCDMO COCC[N@H+]1CCCN(C(=O)Cc2ccc(N)cc2)CC1 ZINC000037826853 849263076 /nfs/dbraw/zinc/26/30/76/849263076.db2.gz RYDVOCCDBZIVTB-UHFFFAOYSA-N 1 1 291.395 0.992 20 10 CCCDMO Oc1ccc(F)cc1C[NH2+]Cc1nnc2n1CCOC2 ZINC001320709551 910814956 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COc1cccc(O)c1C[N@H+]1CCO[C@@H](C(N)=O)C1 ZINC000769218906 581677564 /nfs/dbraw/zinc/67/75/64/581677564.db2.gz WJXCCOREFWGDKZ-GFCCVEGCSA-N 1 1 266.297 0.087 20 10 CCCDMO COc1ccc(O)c(C[NH2+]Cc2cc(C(N)=O)no2)c1 ZINC000757906168 581713628 /nfs/dbraw/zinc/71/36/28/581713628.db2.gz LHGVMIUVHPHIDO-UHFFFAOYSA-N 1 1 277.280 0.778 20 10 CCCDMO COc1cccc(O)c1CNC[C@@]1(O)CC[N@H+](C)C1 ZINC000762556345 581950897 /nfs/dbraw/zinc/95/08/97/581950897.db2.gz NWGCFFXAWDZEHP-AWEZNQCLSA-N 1 1 266.341 0.557 20 10 CCCDMO COc1cccc(O)c1CNC[C@@]1(O)CC[N@@H+](C)C1 ZINC000762556345 581950899 /nfs/dbraw/zinc/95/08/99/581950899.db2.gz NWGCFFXAWDZEHP-AWEZNQCLSA-N 1 1 266.341 0.557 20 10 CCCDMO COc1ccc(O)c(C[N@@H+](C)[C@H]2CCNC2=O)c1 ZINC000775744463 582036021 /nfs/dbraw/zinc/03/60/21/582036021.db2.gz MDUQFIOWSXZYGB-NSHDSACASA-N 1 1 250.298 0.721 20 10 CCCDMO COC(=O)[C@H]1CC[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768443585 582106627 /nfs/dbraw/zinc/10/66/27/582106627.db2.gz SXESTAHFVRSQKT-ZANVPECISA-N 1 1 293.319 0.813 20 10 CCCDMO COCC[N@@H+](C)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768439345 582106632 /nfs/dbraw/zinc/10/66/32/582106632.db2.gz FYVRVTRCAJAVGP-GFCCVEGCSA-N 1 1 253.298 0.896 20 10 CCCDMO COc1ccc(O)c(CN2CCNCC[NH2+]CC2)c1 ZINC000904396742 617272952 /nfs/dbraw/zinc/27/29/52/617272952.db2.gz OZPNMIFFNUGTAR-UHFFFAOYSA-N 1 1 265.357 0.396 20 10 CCCDMO COc1cccc([C@H](C)NC[C@@H](O)C[NH+](C)C)c1O ZINC000846143712 617309134 /nfs/dbraw/zinc/30/91/34/617309134.db2.gz FXGLXWHXBSYLFM-WDEREUQCSA-N 1 1 268.357 0.974 20 10 CCCDMO CC(=O)C(=O)COC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000808550368 613658685 /nfs/dbraw/zinc/65/86/85/613658685.db2.gz JXGHJFBQQAOUHF-NSHDSACASA-N 1 1 255.314 0.952 20 10 CCCDMO CCO[C@@H]1CN(Cc2cc3c(cc2O)OCO3)C[C@H]1C[NH3+] ZINC000844906993 615417322 /nfs/dbraw/zinc/41/73/22/615417322.db2.gz XYIBRNNTKBLNPF-IAQYHMDHSA-N 1 1 294.351 0.917 20 10 CCCDMO C[N@@H+](Cc1cc(F)cc(F)c1[O-])[C@H]1CCNC1=O ZINC000894094712 616165142 /nfs/dbraw/zinc/16/51/42/616165142.db2.gz LWTXZBYLCYSMHX-JTQLQIEISA-N 1 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1 250.342 0.891 20 10 CCCDMO COc1cc(O)c(C[N@H+]2CCC(CO)(CO)C2)cc1OC ZINC000827474650 642008545 /nfs/dbraw/zinc/00/85/45/642008545.db2.gz HXZRQEZTGKVUFL-UHFFFAOYSA-N 1 1 297.351 0.586 20 10 CCCDMO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)Cc1ccc(N)cc1 ZINC000828876391 642127794 /nfs/dbraw/zinc/12/77/94/642127794.db2.gz DYRLBSSLCOBBPZ-CYBMUJFWSA-N 1 1 290.411 0.563 20 10 CCCDMO Cc1ccc(C[N@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)c(O)c1 ZINC000877567739 646824939 /nfs/dbraw/zinc/82/49/39/646824939.db2.gz QWZPBEBZSRRCNX-PHIMTYICSA-N 1 1 260.293 0.405 20 10 CCCDMO Cc1ccc(C[NH+]2CC(n3cc(C(N)=O)nn3)C2)c(O)c1 ZINC000877581403 646825757 /nfs/dbraw/zinc/82/57/57/646825757.db2.gz BBSAQIRINASACG-UHFFFAOYSA-N 1 1 287.323 0.448 20 10 CCCDMO Cc1cccc(O)c1CN1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000877618043 646829803 /nfs/dbraw/zinc/82/98/03/646829803.db2.gz DTJGVNSZVOKQDQ-QWHCGFSZSA-N 1 1 262.353 0.951 20 10 CCCDMO Cc1cccc(O)c1C[N@@H+]1CCN2C[C@H](O)C[C@H]2C1 ZINC000877618043 646829806 /nfs/dbraw/zinc/82/98/06/646829806.db2.gz DTJGVNSZVOKQDQ-QWHCGFSZSA-N 1 1 262.353 0.951 20 10 CCCDMO Cc1cccc(O)c1C[N@H+]1CCN2C[C@H](O)C[C@H]2C1 ZINC000877618043 646829807 /nfs/dbraw/zinc/82/98/07/646829807.db2.gz DTJGVNSZVOKQDQ-QWHCGFSZSA-N 1 1 262.353 0.951 20 10 CCCDMO O=C(N[C@H](CO)C[NH+]1CCCC1)C1=CC(=O)CS1 ZINC000879996728 647141740 /nfs/dbraw/zinc/14/17/40/647141740.db2.gz CMHOPJIEVHZUJN-VIFPVBQESA-N 1 1 270.354 0.640 20 10 CCCDMO C[C@@H](C(=O)NCc1c(O)cccc1F)N1CC[NH+](C)CC1 ZINC000928704961 648658141 /nfs/dbraw/zinc/65/81/41/648658141.db2.gz GODMKKSPBPLZFN-NSHDSACASA-N 1 1 295.358 0.783 20 10 CCCDMO COc1cccc(C[N@H+]2C[C@H]3C[C@@]3(C(N)=O)C2)c1O ZINC001277452603 805593848 /nfs/dbraw/zinc/59/38/48/805593848.db2.gz XJICBIYNWIWACP-QMTHXVAHSA-N 1 1 262.309 0.708 20 10 CCCDMO NC(=O)[C@H]1COCCC12C[NH+](Cc1c(O)cccc1F)C2 ZINC001277484034 805724259 /nfs/dbraw/zinc/72/42/59/805724259.db2.gz HMPNFQYYDCWXMY-LLVKDONJSA-N 1 1 294.326 0.855 20 10 CCCDMO COc1cc(C[N@H+]2CCC[C@H](C(N)=O)C2)c(O)cc1O ZINC001231633094 805823324 /nfs/dbraw/zinc/82/33/24/805823324.db2.gz NYMRUFQFQBWACS-VIFPVBQESA-N 1 1 280.324 0.804 20 10 CCCDMO COc1cc(N(C)C)ccc1C[N@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC001231848147 805863080 /nfs/dbraw/zinc/86/30/80/805863080.db2.gz GXCMQWAHLHZSDN-ZFWWWQNUSA-N 1 1 294.395 0.936 20 10 CCCDMO COc1cc(O)c(C[N@@H+](C)C[C@@H](O)CO)cc1Cl ZINC001232268782 805917036 /nfs/dbraw/zinc/91/70/36/805917036.db2.gz VCBZVSFJTYENIY-SECBINFHSA-N 1 1 275.732 0.839 20 10 CCCDMO Oc1cc(O)c(C[NH+]2CCN(CCF)CC2)cc1O ZINC001233486002 806061547 /nfs/dbraw/zinc/06/15/47/806061547.db2.gz TZMSMIDAXVFGIY-UHFFFAOYSA-N 1 1 270.304 0.891 20 10 CCCDMO COc1cccc(CN2C[C@H]3COC[C@@H](C2)C3[NH3+])c1O ZINC001235994601 806525084 /nfs/dbraw/zinc/52/50/84/806525084.db2.gz YUODKEWKHREBSC-ONXXMXGDSA-N 1 1 278.352 0.806 20 10 CCCDMO CCc1ccc(C[N@H+]2C[C@@H](C(=O)OC)[C@H](N)C2)c(O)c1 ZINC001236356089 806584689 /nfs/dbraw/zinc/58/46/89/806584689.db2.gz REGCWBIQFYMEIQ-CHWSQXEVSA-N 1 1 278.352 0.887 20 10 CCCDMO CCc1ccc(C[N@@H+]2C[C@@H](C(=O)OC)[C@H](N)C2)c(O)c1 ZINC001236356089 806584697 /nfs/dbraw/zinc/58/46/97/806584697.db2.gz REGCWBIQFYMEIQ-CHWSQXEVSA-N 1 1 278.352 0.887 20 10 CCCDMO COc1cc(O)c(C[NH+]2CC(C(N)=O)C2)c(Cl)c1 ZINC001236803405 806610823 /nfs/dbraw/zinc/61/08/23/806610823.db2.gz NSLUHBPKHNPCDT-UHFFFAOYSA-N 1 1 270.716 0.971 20 10 CCCDMO Cc1cccc(O)c1C[N@H+]1CC[C@H](CO)[C@H](O)C1 ZINC001237484976 806673632 /nfs/dbraw/zinc/67/36/32/806673632.db2.gz KTLAXBOLBDYEED-BXUZGUMPSA-N 1 1 251.326 0.876 20 10 CCCDMO C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1Cc2cccc(O)c2C1 ZINC001123947590 799512864 /nfs/dbraw/zinc/51/28/64/799512864.db2.gz UONCCYJOLIYUGB-FZMZJTMJSA-N 1 1 287.363 0.623 20 10 CCCDMO COC(=O)[C@@H]1C[N@H+](C)CCN1Cc1cc(F)ccc1O ZINC001140060057 799877177 /nfs/dbraw/zinc/87/71/77/799877177.db2.gz IXROOFJXRLAOFD-LBPRGKRZSA-N 1 1 282.315 0.820 20 10 CCCDMO COC(=O)[C@@H]1C[N@@H+](C)CCN1Cc1cc(F)ccc1O ZINC001140060057 799877183 /nfs/dbraw/zinc/87/71/83/799877183.db2.gz IXROOFJXRLAOFD-LBPRGKRZSA-N 1 1 282.315 0.820 20 10 CCCDMO OC[C@@H]1CC[N@@H+](Cc2cc(O)ccc2O)C[C@H]1O ZINC001141156021 799984349 /nfs/dbraw/zinc/98/43/49/799984349.db2.gz CXYZDQPQPMVLIC-TVQRCGJNSA-N 1 1 253.298 0.273 20 10 CCCDMO OC[C@H]1CC[N@@H+](Cc2cc(O)ccc2O)C[C@H]1O ZINC001141156014 799984452 /nfs/dbraw/zinc/98/44/52/799984452.db2.gz CXYZDQPQPMVLIC-NOZJJQNGSA-N 1 1 253.298 0.273 20 10 CCCDMO CS(=O)(=O)[C@@H]1CC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141159833 799985563 /nfs/dbraw/zinc/98/55/63/799985563.db2.gz MFWUDOPOPYTPTD-LLVKDONJSA-N 1 1 271.338 0.717 20 10 CCCDMO CS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cc(O)ccc2O)C1 ZINC001141159833 799985567 /nfs/dbraw/zinc/98/55/67/799985567.db2.gz MFWUDOPOPYTPTD-LLVKDONJSA-N 1 1 271.338 0.717 20 10 CCCDMO COc1cccc(C[N@H+]2CC[C@H]3CNC(=O)[C@H]3C2)c1O ZINC001203597222 803035802 /nfs/dbraw/zinc/03/58/02/803035802.db2.gz XOILVHWCIUKGOI-JQWIXIFHSA-N 1 1 276.336 0.969 20 10 CCCDMO COc1ccc(O)c(C[N@H+]2C[C@H]3CN(C)C(=O)[C@H]3C2)c1 ZINC001203673426 803041656 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[O-]c1c(F)cccc1C[N@@H+]1C[C@H](CCO)[C@H](CO)C1 ZINC001207825157 803453380 /nfs/dbraw/zinc/45/33/80/803453380.db2.gz UZXDAEIABISWDB-JQWIXIFHSA-N 1 1 269.316 0.954 20 10 CCCDMO OCC[C@H]1C[N@H+](Cc2cccc(F)c2O)C[C@H]1CO ZINC001207825157 803453385 /nfs/dbraw/zinc/45/33/85/803453385.db2.gz UZXDAEIABISWDB-JQWIXIFHSA-N 1 1 269.316 0.954 20 10 CCCDMO OCC[C@H]1C[N@@H+](Cc2cccc(F)c2O)C[C@H]1CO ZINC001207825157 803453390 /nfs/dbraw/zinc/45/33/90/803453390.db2.gz UZXDAEIABISWDB-JQWIXIFHSA-N 1 1 269.316 0.954 20 10 CCCDMO COC(=O)[C@H]1C[N@H+](Cc2cc(O)ccc2O)CCN1C ZINC001141161542 811823411 /nfs/dbraw/zinc/82/34/11/811823411.db2.gz USBLUOHIJGBUPL-GFCCVEGCSA-N 1 1 280.324 0.387 20 10 CCCDMO COC(=O)[C@H]1C[N@@H+](Cc2cc(O)ccc2O)CCN1C ZINC001141161542 811823418 /nfs/dbraw/zinc/82/34/18/811823418.db2.gz USBLUOHIJGBUPL-GFCCVEGCSA-N 1 1 280.324 0.387 20 10 CCCDMO CN(C[C@@H](O)C[NH+]1CCOCC1)c1ccc2c(c1)OCO2 ZINC000121280929 814192667 /nfs/dbraw/zinc/19/26/67/814192667.db2.gz NQIWQPSHXSMWER-CYBMUJFWSA-N 1 1 294.351 0.545 20 10 CCCDMO Oc1c(F)cc(F)cc1C[NH2+][C@@H]1COCC[C@H]1O ZINC000708420202 819774860 /nfs/dbraw/zinc/77/48/60/819774860.db2.gz GJMVQUYTIXEFNW-GHMZBOCLSA-N 1 1 259.252 0.910 20 10 CCCDMO CN1C[C@]2(CC[N@H+](Cc3cccc(F)c3O)C2)OCC1=O ZINC001273304677 821588251 /nfs/dbraw/zinc/58/82/51/821588251.db2.gz PKDQLMHTLWLATB-HNNXBMFYSA-N 1 1 294.326 0.964 20 10 CCCDMO CN1C[C@]2(CC[N@@H+](Cc3cccc(F)c3O)C2)OCC1=O ZINC001273304677 821588257 /nfs/dbraw/zinc/58/82/57/821588257.db2.gz PKDQLMHTLWLATB-HNNXBMFYSA-N 1 1 294.326 0.964 20 10 CCCDMO COc1ccc(C[N@@H+]2CCN3C(=O)COC[C@@H]3C2)c(O)c1 ZINC001203629293 844468894 /nfs/dbraw/zinc/46/88/94/844468894.db2.gz VTWOOEOUYLEPBD-LBPRGKRZSA-N 1 1 292.335 0.444 20 10 CCCDMO COc1ccc(C[N@H+]2CCN3C(=O)COC[C@@H]3C2)c(O)c1 ZINC001203629293 844468900 /nfs/dbraw/zinc/46/89/00/844468900.db2.gz VTWOOEOUYLEPBD-LBPRGKRZSA-N 1 1 292.335 0.444 20 10 CCCDMO O=C1C[N@@H+](Cc2c(O)cc(O)cc2O)CCCN1 ZINC001144504523 840068475 /nfs/dbraw/zinc/06/84/75/840068475.db2.gz 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OC[C@H]1C[N@@H+](Cc2c(O)cccc2F)CC[C@H]1O ZINC001137832882 799690279 /nfs/dbraw/zinc/69/02/79/799690279.db2.gz LAULHVVPZMJIFE-BXKDBHETSA-N 1 1 255.289 0.706 20 10 CCCDMO CNC(=O)CC[N@@H+](C)Cc1ccc(O)c(C)c1O ZINC001140745567 799937633 /nfs/dbraw/zinc/93/76/33/799937633.db2.gz KSBJTPWHDISTAY-UHFFFAOYSA-N 1 1 252.314 0.974 20 10 CCCDMO COc1cc(O)c(C[N@H+]2CC[C@@H](O)[C@H](CO)C2)c(OC)c1 ZINC001141031892 799973801 /nfs/dbraw/zinc/97/38/01/799973801.db2.gz NMHTVKWUUUXTBL-GXFFZTMASA-N 1 1 297.351 0.585 20 10 CCCDMO OC[C@H]1CC[N@H+](Cc2cc(F)c(F)cc2O)C[C@H]1O ZINC001142508545 800126343 /nfs/dbraw/zinc/12/63/43/800126343.db2.gz CLYXEGFTLDXEQR-AMIZOPFISA-N 1 1 273.279 0.846 20 10 CCCDMO OC[C@H]1CC[N@@H+](Cc2cc(F)c(F)cc2O)C[C@H]1O ZINC001142508545 800126346 /nfs/dbraw/zinc/12/63/46/800126346.db2.gz CLYXEGFTLDXEQR-AMIZOPFISA-N 1 1 273.279 0.846 20 10 CCCDMO C[C@H]1C[C@@H](NC[C@H](O)c2ccc(O)c(O)c2)CC[NH2+]1 ZINC001246185971 807180627 /nfs/dbraw/zinc/18/06/27/807180627.db2.gz YGJGFMFPEMAJHP-CHIMOYNISA-N 1 1 266.341 0.861 20 10 CCCDMO COc1ccc(O)c(C[N@H+]2CC[C@@H](CO)[C@H](O)C2)c1 ZINC001203669437 803041027 /nfs/dbraw/zinc/04/10/27/803041027.db2.gz CENGFNGBQVXWRQ-IINYFYTJSA-N 1 1 267.325 0.576 20 10 CCCDMO NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(O)cc1O ZINC001204275518 803075110 /nfs/dbraw/zinc/07/51/10/803075110.db2.gz UVDZVIOMVQMEBL-NSHDSACASA-N 1 1 250.298 0.938 20 10 CCCDMO Oc1ccc(C[N@@H+]2CCc3nncn3CC2)c(O)c1 ZINC001204276759 803076524 /nfs/dbraw/zinc/07/65/24/803076524.db2.gz QDPWDGPISOHXHB-UHFFFAOYSA-N 1 1 260.297 0.748 20 10 CCCDMO COc1cc(C[NH+]2CC3(C2)CCN(C)C3=O)cc(O)c1O ZINC001204349929 803080644 /nfs/dbraw/zinc/08/06/44/803080644.db2.gz DIIMDKZULYRSIT-UHFFFAOYSA-N 1 1 292.335 0.771 20 10 CCCDMO COc1cc(C(=O)N2CC3(C2)CC[N@@H+](C)C3)cc(O)c1O ZINC001276500450 803327463 /nfs/dbraw/zinc/32/74/63/803327463.db2.gz PZZVVYMRCQLDPC-UHFFFAOYSA-N 1 1 292.335 0.884 20 10 CCCDMO COc1ccc(C[N@@H+](C)CC(=O)N2CCOCC2)c(O)c1 ZINC000179677606 803752338 /nfs/dbraw/zinc/75/23/38/803752338.db2.gz RTAIAFBQVQUCFD-UHFFFAOYSA-N 1 1 294.351 0.691 20 10 CCCDMO C[N@H+]1C[C@@H]2CCN(Cc3cc(O)c(O)c(O)c3)[C@@H]2C1 ZINC001276830975 804915063 /nfs/dbraw/zinc/91/50/63/804915063.db2.gz XPLREPIUIWBVBJ-WDEREUQCSA-N 1 1 264.325 0.939 20 10 CCCDMO NC(=O)C[C@H]1C[C@@H]2C[N@@H+](Cc3ccc(O)c(O)c3)C[C@@H]2O1 ZINC001276914695 804986439 /nfs/dbraw/zinc/98/64/39/804986439.db2.gz SYOSWCWMXPGXLM-GYSYKLTISA-N 1 1 292.335 0.563 20 10 CCCDMO C[N@H+]1CC[C@H](Oc2c(O)c(O)c(O)c(O)c2O)C1 ZINC001226464178 805234949 /nfs/dbraw/zinc/23/49/49/805234949.db2.gz DRBTWBJSDBXSCY-YFKPBYRVSA-N 1 1 257.242 0.298 20 10 CCCDMO Oc1cc(O)c(CC[NH2+][C@@H]2CCCNC2)cc1O ZINC001246211535 807187926 /nfs/dbraw/zinc/18/79/26/807187926.db2.gz KNBSKMXOHNGLIR-SNVBAGLBSA-N 1 1 252.314 0.688 20 10 CCCDMO COC(=O)Cc1ccc(C[NH+]2CC(O)C2)c(O)c1 ZINC001249173260 807546138 /nfs/dbraw/zinc/54/61/38/807546138.db2.gz SKXUHLCIKMJHAB-UHFFFAOYSA-N 1 1 251.282 0.284 20 10 CCCDMO COC(=O)[C@H]1CCC[N@H+]1Cc1c(O)cc(O)cc1O ZINC001144499883 840067611 /nfs/dbraw/zinc/06/76/11/840067611.db2.gz NLXUXZRAZNJBLE-SNVBAGLBSA-N 1 1 267.281 0.941 20 10 CCCDMO CN1CCC[N@@H+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144500138 840067871 /nfs/dbraw/zinc/06/78/71/840067871.db2.gz PQQWRAXDRFEYBO-UHFFFAOYSA-N 1 1 252.314 0.941 20 10 CCCDMO CC(=O)N[C@H]1CCC[N@@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144509262 840073128 /nfs/dbraw/zinc/07/31/28/840073128.db2.gz RBGGKKPLNAYJPW-JTQLQIEISA-N 1 1 280.324 0.904 20 10 CCCDMO O=C1NC(=O)[C@@H]2C[N@H+](Cc3cccc(F)c3O)C[C@H]12 ZINC001181880699 843634651 /nfs/dbraw/zinc/63/46/51/843634651.db2.gz ZBQYXKQOPQXZQF-DTORHVGOSA-N 1 1 264.256 0.236 20 10 CCCDMO O=C1NC(=O)[C@@H]2C[N@@H+](Cc3cccc(F)c3O)C[C@H]12 ZINC001181880699 843634654 /nfs/dbraw/zinc/63/46/54/843634654.db2.gz ZBQYXKQOPQXZQF-DTORHVGOSA-N 1 1 264.256 0.236 20 10 CCCDMO COc1ccc(O)c([C@H](C)NC[C@H](O)C[NH+](C)C)c1 ZINC000717404010 848254494 /nfs/dbraw/zinc/25/44/94/848254494.db2.gz LBUIKXKJIHRYAV-QWRGUYRKSA-N 1 1 268.357 0.974 20 10 CCCDMO COc1cccc(C[N@H+]2C[C@H]3CN(C)C[C@@H](C2)O3)c1O ZINC001275273219 848682875 /nfs/dbraw/zinc/68/28/75/848682875.db2.gz JZXORISIWCTKDR-BETUJISGSA-N 1 1 278.352 0.916 20 10 CCCDMO COc1cccc(C[N@@H+]2C[C@H]3CN(C)C[C@@H](C2)O3)c1O ZINC001275273219 848682877 /nfs/dbraw/zinc/68/28/77/848682877.db2.gz JZXORISIWCTKDR-BETUJISGSA-N 1 1 278.352 0.916 20 10 CCCDMO COc1cccc(CN2C[C@@H]3C[N@@H+](C)C[C@H](C2)O3)c1O ZINC001275273219 848682879 /nfs/dbraw/zinc/68/28/79/848682879.db2.gz JZXORISIWCTKDR-BETUJISGSA-N 1 1 278.352 0.916 20 10 CCCDMO COc1cccc(CN2C[C@@H]3C[N@H+](C)C[C@H](C2)O3)c1O ZINC001275273219 848682881 /nfs/dbraw/zinc/68/28/81/848682881.db2.gz JZXORISIWCTKDR-BETUJISGSA-N 1 1 278.352 0.916 20 10 CCCDMO COc1ccc(N(C)C[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000380536376 849675528 /nfs/dbraw/zinc/67/55/28/849675528.db2.gz ATDFRTWGFSOGLM-AWEZNQCLSA-N 1 1 280.368 0.825 20 10 CCCDMO C[N@H+](CCNS(C)(=O)=O)Cc1cc(F)ccc1O ZINC001325024869 913156642 /nfs/dbraw/zinc/15/66/42/913156642.db2.gz ANVYKALRZVFJCJ-UHFFFAOYSA-N 1 1 276.333 0.512 20 10 CCCDMO C[N@@H+](CCNS(C)(=O)=O)Cc1cc(F)ccc1O ZINC001325024869 913156667 /nfs/dbraw/zinc/15/66/67/913156667.db2.gz ANVYKALRZVFJCJ-UHFFFAOYSA-N 1 1 276.333 0.512 20 10 CCCDMO COc1cc(O)c(C[N@H+]2C[C@H](O)[C@H](CO)C2)c(OC)c1 ZINC001141031984 892350289 /nfs/dbraw/zinc/35/02/89/892350289.db2.gz PICYJXGZMSGISG-ZANVPECISA-N 1 1 283.324 0.194 20 10 CCCDMO C[C@H](O)C[NH+]1CCN(C(=O)NCc2ccc(N)cc2)CC1 ZINC001335726685 920401091 /nfs/dbraw/zinc/40/10/91/920401091.db2.gz VQJDDXXEYMHDEL-LBPRGKRZSA-N 1 1 292.383 0.477 20 10 CCCDMO COc1cccc(C[NH+]2CCN(C[C@@H](C)O)CC2)c1O ZINC000188734489 351623047 /nfs/dbraw/zinc/62/30/47/351623047.db2.gz PMALOKPBGDCXQD-GFCCVEGCSA-N 1 1 280.368 0.899 20 10 CCCDMO C[N@@H+](Cc1cccc(F)c1O)C[C@H](O)CN1CCOCC1 ZINC000272339678 353053830 /nfs/dbraw/zinc/05/38/30/353053830.db2.gz YMTVUWCVMJGKRN-ZDUSSCGKSA-N 1 1 298.358 0.656 20 10 CCCDMO C[N@H+](Cc1cccc(F)c1O)C[C@H](O)CN1CCOCC1 ZINC000272339678 353053831 /nfs/dbraw/zinc/05/38/31/353053831.db2.gz YMTVUWCVMJGKRN-ZDUSSCGKSA-N 1 1 298.358 0.656 20 10 CCCDMO CN(C)c1ccc(C[N@H+]2CC[C@](O)(C(N)=O)C2)cc1 ZINC000284884395 353557848 /nfs/dbraw/zinc/55/78/48/353557848.db2.gz FOBVTQOCZPKPPW-CQSZACIVSA-N 1 1 263.341 0.175 20 10 CCCDMO CCOc1cccc(C[N@H+]2CCOC[C@@H](O)C2)c1O ZINC000294934245 199257667 /nfs/dbraw/zinc/25/76/67/199257667.db2.gz ZQJMULPCSNTAKQ-LBPRGKRZSA-N 1 1 267.325 0.984 20 10 CCCDMO COc1cccc(C[N@@H+]2CCO[C@H](C(N)=O)C2)c1O ZINC000092735505 389032395 /nfs/dbraw/zinc/03/23/95/389032395.db2.gz TVALPIVFJXCQDX-NSHDSACASA-N 1 1 266.297 0.087 20 10 CCCDMO COc1cccc(C[N@H+]2CCO[C@H](C(N)=O)C2)c1O ZINC000092735505 389032397 /nfs/dbraw/zinc/03/23/97/389032397.db2.gz TVALPIVFJXCQDX-NSHDSACASA-N 1 1 266.297 0.087 20 10 CCCDMO Cc1cccc(C[N@H+]2CCO[C@@H](C(N)=O)C2)c1O ZINC000179940589 389664337 /nfs/dbraw/zinc/66/43/37/389664337.db2.gz IHMCMMVEUARLGE-LLVKDONJSA-N 1 1 250.298 0.387 20 10 CCCDMO COc1cc(O)c(C[N@@H+]2CCNC(=O)CC2)cc1OC ZINC000160129102 261206193 /nfs/dbraw/zinc/20/61/93/261206193.db2.gz GFPADQJSFLFBIV-UHFFFAOYSA-N 1 1 280.324 0.731 20 10 CCCDMO COc1cc(O)c(C[N@H+]2CCNC(=O)CC2)cc1OC ZINC000160129102 261206195 /nfs/dbraw/zinc/20/61/95/261206195.db2.gz GFPADQJSFLFBIV-UHFFFAOYSA-N 1 1 280.324 0.731 20 10 CCCDMO CC[NH+]1CCN(C(=O)c2cccc(O)c2O)CC1 ZINC000126233255 264213677 /nfs/dbraw/zinc/21/36/77/264213677.db2.gz CYQDRDYKVGTACR-UHFFFAOYSA-N 1 1 250.298 0.876 20 10 CCCDMO CCOc1cccc(C[N@H+]2C[C@H](O)C[C@H]2CO)c1O ZINC000370390709 267315815 /nfs/dbraw/zinc/31/58/15/267315815.db2.gz XWVDTADMWARYDC-NWDGAFQWSA-N 1 1 267.325 0.718 20 10 CCCDMO CCN1CCN(c2ccc(CNC(N)=[NH2+])cc2F)CC1 ZINC000264453693 521697009 /nfs/dbraw/zinc/69/70/09/521697009.db2.gz NKTQYFUALHCETQ-UHFFFAOYSA-N 1 1 279.363 0.951 20 10 CCCDMO Cc1ccc(O)c(C[N@H+]2CC[C@H](NS(C)(=O)=O)C2)c1 ZINC000093531380 525345458 /nfs/dbraw/zinc/34/54/58/525345458.db2.gz WBAKBFOWVGZHME-LBPRGKRZSA-N 1 1 284.381 0.824 20 10 CCCDMO Cc1cccc(C[N@H+]2CC[C@@H](S(N)(=O)=O)C2)c1O ZINC000785986744 581426366 /nfs/dbraw/zinc/42/63/66/581426366.db2.gz XEXOQDNVZLUBGF-LLVKDONJSA-N 1 1 270.354 0.563 20 10 CCCDMO COc1ccc(N(C)CC[N@@H+](C)[C@H]2CCNC2=O)cc1 ZINC000844401801 617267153 /nfs/dbraw/zinc/26/71/53/617267153.db2.gz RDZFMGPGIIQQPW-AWEZNQCLSA-N 1 1 277.368 0.952 20 10 CCCDMO COc1cccc(C[N@@H+](C)[C@@]2(CO)CCOC2)c1O ZINC000862426513 617296722 /nfs/dbraw/zinc/29/67/22/617296722.db2.gz HXWAPQQQBUAMDI-CQSZACIVSA-N 1 1 267.325 0.984 20 10 CCCDMO COc1cccc(C[N@@H+](C[C@@H](O)CO)C(C)C)c1O ZINC000817417835 617296798 /nfs/dbraw/zinc/29/67/98/617296798.db2.gz RYRCSQQNOTUXTL-GFCCVEGCSA-N 1 1 269.341 0.964 20 10 CCCDMO CCOc1ccc(O)c(C[N@H+]2C[C@H](CO)[C@H](CO)C2)c1 ZINC000877764347 615512168 /nfs/dbraw/zinc/51/21/68/615512168.db2.gz BHGVHXTULHQWIW-BETUJISGSA-N 1 1 281.352 0.824 20 10 CCCDMO CN(C)c1ccc(CNc2nc(N)nc(N)[nH+]2)cc1F ZINC000858373436 616015885 /nfs/dbraw/zinc/01/58/85/616015885.db2.gz GFQHTHDFXRHJED-UHFFFAOYSA-N 1 1 277.307 0.853 20 10 CCCDMO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C2(N(C)C)CC2)cc1 ZINC000911665816 616019175 /nfs/dbraw/zinc/01/91/75/616019175.db2.gz FGGDVWBWAFPORZ-AWEZNQCLSA-N 1 1 290.411 0.963 20 10 CCCDMO C[N@H+]1CCN(Cc2cc3c(cc2O)OCO3)[C@@H](CO)C1 ZINC000877644047 616245045 /nfs/dbraw/zinc/24/50/45/616245045.db2.gz LEZNDWGZPJPJRL-LLVKDONJSA-N 1 1 280.324 0.229 20 10 CCCDMO C[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(N)cc2)C1 ZINC000906784536 616408825 /nfs/dbraw/zinc/40/88/25/616408825.db2.gz CJHJBLDXUYOCGU-NSHDSACASA-N 1 1 262.313 0.028 20 10 CCCDMO C[C@@H](NC(=O)C1=CC(=O)CS1)[C@@H]1C[N@H+](C)CCN1C ZINC000896560160 632281152 /nfs/dbraw/zinc/28/11/52/632281152.db2.gz MJQHPNLBWRRXCC-KOLCDFICSA-N 1 1 283.397 0.818 20 10 CCCDMO C[C@@H](NC(=O)C1=CC(=O)CS1)[C@@H]1C[N@@H+](C)CCN1C ZINC000896560160 632281156 /nfs/dbraw/zinc/28/11/56/632281156.db2.gz MJQHPNLBWRRXCC-KOLCDFICSA-N 1 1 283.397 0.818 20 10 CCCDMO NS(=O)(=O)C[C@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC000897058764 632383997 /nfs/dbraw/zinc/38/39/97/632383997.db2.gz RYSVEGPGXGWZLE-JTQLQIEISA-N 1 1 270.354 0.503 20 10 CCCDMO O=C(C[NH2+][C@H]1CCc2cccc(O)c21)N1CCNCC1 ZINC000817946203 641282959 /nfs/dbraw/zinc/28/29/59/641282959.db2.gz UHWPOUAGXYXDGR-LBPRGKRZSA-N 1 1 275.352 0.401 20 10 CCCDMO Cc1ccc(C[N@@H+]2CCN(C)C[C@H]2CO)c(O)c1 ZINC000877644712 646831744 /nfs/dbraw/zinc/83/17/44/646831744.db2.gz QXLUKTCGVQKKSC-ZDUSSCGKSA-N 1 1 250.342 0.809 20 10 CCCDMO OC[C@@H](O)C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000929969756 648808330 /nfs/dbraw/zinc/80/83/30/648808330.db2.gz DADYPCWETODBGW-KBPBESRZSA-N 1 1 281.352 0.726 20 10 CCCDMO OC[C@H]1C[N@@H+](Cc2cc(Cl)c(O)cc2O)CC[C@H]1O ZINC001232260534 805915336 /nfs/dbraw/zinc/91/53/36/805915336.db2.gz RFUQOVIEOAQKNA-MWLCHTKSSA-N 1 1 287.743 0.926 20 10 CCCDMO CN(C)c1ccc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3C)c(O)c1 ZINC001232838884 805985642 /nfs/dbraw/zinc/98/56/42/805985642.db2.gz NOBIRLUJYOMOJZ-ZBFHGGJFSA-N 1 1 291.395 0.973 20 10 CCCDMO COc1cc(C)c(C[N@@H+](C)C[C@@H](O)CO)c(O)c1 ZINC001236810023 806612391 /nfs/dbraw/zinc/61/23/91/806612391.db2.gz UMAILBHBIGHJJW-SNVBAGLBSA-N 1 1 255.314 0.494 20 10 CCCDMO C[NH+]1CC(N2CCN(C(=O)C3=CC(=O)CS3)CC2)C1 ZINC001124020317 799536234 /nfs/dbraw/zinc/53/62/34/799536234.db2.gz HLHCTBPYYVBONE-UHFFFAOYSA-N 1 1 281.381 0.526 20 10 CCCDMO C[N@@H+](Cc1c(O)cccc1Br)C[C@H](O)CO ZINC001140100351 799881480 /nfs/dbraw/zinc/88/14/80/799881480.db2.gz MCNDQKNRPOCQTH-QMMMGPOBSA-N 1 1 290.157 0.940 20 10 CCCDMO C[N@H+](Cc1c(O)cccc1Br)C[C@H](O)CO ZINC001140100351 799881484 /nfs/dbraw/zinc/88/14/84/799881484.db2.gz MCNDQKNRPOCQTH-QMMMGPOBSA-N 1 1 290.157 0.940 20 10 CCCDMO Cc1c(O)ccc(C[N@@H+]2CCCNC(=O)C2)c1O ZINC001140743986 799937741 /nfs/dbraw/zinc/93/77/41/799937741.db2.gz HJRBSRHQGREEDS-UHFFFAOYSA-N 1 1 250.298 0.728 20 10 CCCDMO Cc1c(O)ccc(C[N@H+]2CCCNC(=O)C2)c1O ZINC001140743986 799937746 /nfs/dbraw/zinc/93/77/46/799937746.db2.gz HJRBSRHQGREEDS-UHFFFAOYSA-N 1 1 250.298 0.728 20 10 CCCDMO Cc1c(O)ccc(C[N@H+]2CC[C@@H](CO)[C@@H](O)C2)c1O ZINC001140743874 799938036 /nfs/dbraw/zinc/93/80/36/799938036.db2.gz CLVCFCZTNYERAH-AAEUAGOBSA-N 1 1 267.325 0.581 20 10 CCCDMO Cc1c(O)ccc(C[N@H+]2C[C@@H](O)[C@H](CO)C2)c1O ZINC001140744316 799938315 /nfs/dbraw/zinc/93/83/15/799938315.db2.gz TYTZEYLMLXLOJJ-CMPLNLGQSA-N 1 1 253.298 0.191 20 10 CCCDMO Cc1ccc(C[N@H+]2CCN3C(=O)COC[C@H]3C2)c(O)c1 ZINC001140958163 799965310 /nfs/dbraw/zinc/96/53/10/799965310.db2.gz SXBVYXUDSGDZJG-CYBMUJFWSA-N 1 1 276.336 0.744 20 10 CCCDMO [NH3+][C@H]1CN(Cc2cc(O)c(O)c(O)c2)CCC1(F)F ZINC001206682412 802611635 /nfs/dbraw/zinc/61/16/35/802611635.db2.gz AVZDFUROVAHCOT-JTQLQIEISA-N 1 1 274.267 0.972 20 10 CCCDMO Oc1ccc(C[N@@H+]2CCN3CCOC[C@@H]3C2)cc1O ZINC001203874763 803049426 /nfs/dbraw/zinc/04/94/26/803049426.db2.gz CNHVXDMJCFDOPQ-LBPRGKRZSA-N 1 1 264.325 0.614 20 10 CCCDMO Oc1ccc(C[N@H+]2CCN3CCOC[C@@H]3C2)cc1O ZINC001203874763 803049431 /nfs/dbraw/zinc/04/94/31/803049431.db2.gz CNHVXDMJCFDOPQ-LBPRGKRZSA-N 1 1 264.325 0.614 20 10 CCCDMO COc1cc(C[N@@H+]2C[C@H](O)[C@@H](C)C2)cc(O)c1O ZINC001204343828 803079992 /nfs/dbraw/zinc/07/99/92/803079992.db2.gz SPZKAPZOKGDXEF-KWQFWETISA-N 1 1 253.298 0.919 20 10 CCCDMO C[C@H]([NH2+]Cc1cc(F)ccc1O)c1nnnn1C ZINC001207732645 803443275 /nfs/dbraw/zinc/44/32/75/803443275.db2.gz NPMSMQLNYMKINL-ZETCQYMHSA-N 1 1 251.265 0.906 20 10 CCCDMO C[N@H+]1CCO[C@H]2CN(c3ccc4c(c3)OCCO4)C[C@H]21 ZINC001277014625 805100168 /nfs/dbraw/zinc/10/01/68/805100168.db2.gz VFNVPADNZKMRSF-DOMZBBRYSA-N 1 1 276.336 0.977 20 10 CCCDMO CC(C)N1CC[N@H+](Cc2c(O)cc(O)cc2O)CC1=O ZINC001144515183 840074276 /nfs/dbraw/zinc/07/42/76/840074276.db2.gz HBZXGQSUIYWGJT-UHFFFAOYSA-N 1 1 280.324 0.856 20 10 CCCDMO CC(C)N1CC[N@@H+](Cc2c(O)cc(O)cc2O)CC1=O ZINC001144515183 840074283 /nfs/dbraw/zinc/07/42/83/840074283.db2.gz HBZXGQSUIYWGJT-UHFFFAOYSA-N 1 1 280.324 0.856 20 10 CCCDMO CNC(=O)N[C@H]1CCC[N@@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144515594 840074376 /nfs/dbraw/zinc/07/43/76/840074376.db2.gz CGJYIPAKSVOFAP-VIFPVBQESA-N 1 1 295.339 0.697 20 10 CCCDMO COc1cc(CN2CC3(CC[N@H+]3C)C2)cc(O)c1O ZINC001275962722 848874371 /nfs/dbraw/zinc/87/43/71/848874371.db2.gz IXKUYGJSMDHDQQ-UHFFFAOYSA-N 1 1 264.325 0.996 20 10 CCCDMO COc1cc(CN2C[C@@H]3C[N@@H+](C)C[C@H](C2)O3)cc(O)c1O ZINC001275962867 848875293 /nfs/dbraw/zinc/87/52/93/848875293.db2.gz LLRMOIRZHQLQJV-TXEJJXNPSA-N 1 1 294.351 0.621 20 10 CCCDMO COc1cc(CN2C[C@@H]3C[N@H+](C)C[C@H](C2)O3)cc(O)c1O ZINC001275962867 848875298 /nfs/dbraw/zinc/87/52/98/848875298.db2.gz LLRMOIRZHQLQJV-TXEJJXNPSA-N 1 1 294.351 0.621 20 10 CCCDMO Cc1cc(O)c(C[N@@H+](C)CCNS(C)(=O)=O)cc1C ZINC001339017529 921626608 /nfs/dbraw/zinc/62/66/08/921626608.db2.gz NDOAXJZKTFFPGO-UHFFFAOYSA-N 1 1 286.397 0.990 20 10 CCCDMO O=S1(=O)CC(C2C[NH+](Cc3ccccc3O)C2)C1 ZINC001334374255 919534745 /nfs/dbraw/zinc/53/47/45/919534745.db2.gz KWTWWAAUKPKNOQ-UHFFFAOYSA-N 1 1 267.350 0.869 20 10 CCCDMO [O-]c1c(F)cc(F)cc1C[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC001350315519 925169387 /nfs/dbraw/zinc/16/93/87/925169387.db2.gz DYUKJEIXONVHGE-UWVGGRQHSA-N 1 1 259.252 0.598 20 10 CCCDMO OC[C@@H]1C[C@H](O)C[N@H+]1Cc1cc(F)cc(F)c1O ZINC001350315519 925169394 /nfs/dbraw/zinc/16/93/94/925169394.db2.gz DYUKJEIXONVHGE-UWVGGRQHSA-N 1 1 259.252 0.598 20 10 CCCDMO COc1ccc(C[NH2+]Cc2cn(C)nn2)c(O)c1OC ZINC001352051732 925514674 /nfs/dbraw/zinc/51/46/74/925514674.db2.gz AFJPHTIKVZMUHT-UHFFFAOYSA-N 1 1 278.312 0.828 20 10 CCCDMO C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1cc(C(=O)[O-])ccc1O ZINC001593250569 994485117 /nfs/dbraw/zinc/48/51/17/994485117.db2.gz ULMPWLHNWYDQBR-BMIGLBTASA-N 1 1 294.351 0.808 20 10 CCCDMO C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1cc(C(=O)[O-])ccc1O ZINC001593250569 994485124 /nfs/dbraw/zinc/48/51/24/994485124.db2.gz ULMPWLHNWYDQBR-BMIGLBTASA-N 1 1 294.351 0.808 20 10 CCCDMO Cc1ccc(O)c(C[N@@H+](C)C[C@@H](O)CN2CCOCC2)c1 ZINC000093583920 349546867 /nfs/dbraw/zinc/54/68/67/349546867.db2.gz YNADWSFWEQXHJA-OAHLLOKOSA-N 1 1 294.395 0.826 20 10 CCCDMO C[N@H+]1CCC[C@H]1CNC(=O)c1cccc(O)c1O ZINC000187021130 351526242 /nfs/dbraw/zinc/52/62/42/351526242.db2.gz JWJSRBLLAFRKTF-VIFPVBQESA-N 1 1 250.298 0.922 20 10 CCCDMO NC(=O)N1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000271206856 353032521 /nfs/dbraw/zinc/03/25/21/353032521.db2.gz YOYHMKLSEINMQQ-UHFFFAOYSA-N 1 1 293.323 0.707 20 10 CCCDMO CCOc1cccc(C[N@@H+]2CCO[C@H](CO)C2)c1O ZINC000271206479 353032585 /nfs/dbraw/zinc/03/25/85/353032585.db2.gz WGTXLBWIWZVQQG-LBPRGKRZSA-N 1 1 267.325 0.984 20 10 CCCDMO CCOc1cccc(C[N@H+]2CCO[C@H](CO)C2)c1O ZINC000271206479 353032586 /nfs/dbraw/zinc/03/25/86/353032586.db2.gz WGTXLBWIWZVQQG-LBPRGKRZSA-N 1 1 267.325 0.984 20 10 CCCDMO Cc1cccc(C[NH+]2CCN(C(=O)[C@@H](C)O)CC2)c1O ZINC000271879206 353034073 /nfs/dbraw/zinc/03/40/73/353034073.db2.gz USHPCUCZENTNFW-GFCCVEGCSA-N 1 1 278.352 0.726 20 10 CCCDMO COc1ccc(O)c(C[N@@H+](C)CCOCCO)c1 ZINC000282682583 353444561 /nfs/dbraw/zinc/44/45/61/353444561.db2.gz IKMRVFLDAGIZPG-UHFFFAOYSA-N 1 1 255.314 0.842 20 10 CCCDMO CCOc1cccc(C[N@@H+]2C[C@@H](C)O[C@H](C(N)=O)C2)c1O ZINC000092006608 389026612 /nfs/dbraw/zinc/02/66/12/389026612.db2.gz XXWBKUVKXFEMEL-MFKMUULPSA-N 1 1 294.351 0.866 20 10 CCCDMO CCOc1cccc(C[N@H+]2C[C@@H](C)O[C@H](C(N)=O)C2)c1O ZINC000092006608 389026615 /nfs/dbraw/zinc/02/66/15/389026615.db2.gz XXWBKUVKXFEMEL-MFKMUULPSA-N 1 1 294.351 0.866 20 10 CCCDMO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)C[C@@H](C(N)=O)O1 ZINC000092005183 389026963 /nfs/dbraw/zinc/02/69/63/389026963.db2.gz RCOVHUYIHMNPJH-RISCZKNCSA-N 1 1 277.368 0.827 20 10 CCCDMO C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)C[C@@H](C(N)=O)O1 ZINC000092005183 389026965 /nfs/dbraw/zinc/02/69/65/389026965.db2.gz RCOVHUYIHMNPJH-RISCZKNCSA-N 1 1 277.368 0.827 20 10 CCCDMO CS(=O)(=O)N[C@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC000179577659 389660667 /nfs/dbraw/zinc/66/06/67/389660667.db2.gz UIGFVGNELOJENW-NSHDSACASA-N 1 1 270.354 0.516 20 10 CCCDMO NC(=O)CN1CCN(Cc2cccc(Cl)c2O)CC1 ZINC000179638354 389661510 /nfs/dbraw/zinc/66/15/10/389661510.db2.gz REABGTLKNPQRRF-UHFFFAOYSA-N 1 1 283.759 0.649 20 10 CCCDMO COCC[N@H+](Cc1cc(F)ccc1O)[C@H](C)C(N)=O ZINC000180087496 389666044 /nfs/dbraw/zinc/66/60/44/389666044.db2.gz UVEGYRSVIGZPDA-SECBINFHSA-N 1 1 270.304 0.854 20 10 CCCDMO COCC[N@@H+](Cc1cc(F)ccc1O)[C@H](C)C(N)=O ZINC000180087496 389666045 /nfs/dbraw/zinc/66/60/45/389666045.db2.gz UVEGYRSVIGZPDA-SECBINFHSA-N 1 1 270.304 0.854 20 10 CCCDMO C[N@H+]1CCC[C@@H]1C(=O)NCCc1ccc(O)c(O)c1 ZINC000157907972 261155477 /nfs/dbraw/zinc/15/54/77/261155477.db2.gz LSAAROXXTWDCJG-LLVKDONJSA-N 1 1 264.325 0.851 20 10 CCCDMO COc1c(O)c(C[N@H+]2C[C@@H](O)C[C@H]2CO)ccc1[N+](=O)[O-] ZINC000278468300 521875017 /nfs/dbraw/zinc/87/50/17/521875017.db2.gz GOBHYBAGCWUQRM-UWVGGRQHSA-N 1 1 298.295 0.237 20 10 CCCDMO CN(C)c1ccc(CNC(=O)[C@H]2COCC[NH2+]2)cc1F ZINC000237085393 522203317 /nfs/dbraw/zinc/20/33/17/522203317.db2.gz CXKPUGYHVHMYIS-GFCCVEGCSA-N 1 1 281.331 0.496 20 10 CCCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@]2(O)CCOC2)c1 ZINC000756770485 581677711 /nfs/dbraw/zinc/67/77/11/581677711.db2.gz XUMBNYOLPVYPAF-ZUZCIYMTSA-N 1 1 295.335 0.981 20 10 CCCDMO CNC(=O)CC[N@@H+](C)Cc1c(O)cccc1OC ZINC000769318411 581683530 /nfs/dbraw/zinc/68/35/30/581683530.db2.gz ZHAJAEJSDLABCZ-UHFFFAOYSA-N 1 1 252.314 0.969 20 10 CCCDMO COc1cccc(C[N@@H+]2C[C@H](O)C[C@H](O)C2)c1O ZINC000769565443 581696252 /nfs/dbraw/zinc/69/62/52/581696252.db2.gz WRGVZWPAABIOLW-PHIMTYICSA-N 1 1 253.298 0.328 20 10 CCCDMO CN(C)c1ccc(C[N@@H+]2C[C@H](O)C[C@H](O)C2)cc1 ZINC000769565444 581696406 /nfs/dbraw/zinc/69/64/06/581696406.db2.gz WRZRBLZRRYXFIO-OKILXGFUSA-N 1 1 250.342 0.680 20 10 CCCDMO NC(=O)c1cc(C[NH2+]Cc2cc(F)ccc2O)on1 ZINC000757906723 581713721 /nfs/dbraw/zinc/71/37/21/581713721.db2.gz OBUJVDJYBWKORT-UHFFFAOYSA-N 1 1 265.244 0.908 20 10 CCCDMO C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000762569058 581950908 /nfs/dbraw/zinc/95/09/08/581950908.db2.gz QMDVIRJYHPFAAQ-CYBMUJFWSA-N 1 1 281.312 0.457 20 10 CCCDMO C[N@H+]1CC[C@@](O)(C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000762569058 581950910 /nfs/dbraw/zinc/95/09/10/581950910.db2.gz QMDVIRJYHPFAAQ-CYBMUJFWSA-N 1 1 281.312 0.457 20 10 CCCDMO COc1ccc(O)c(C[N@@H+]2C[C@H](O)C[C@H](O)C2)c1 ZINC000775735322 582035721 /nfs/dbraw/zinc/03/57/21/582035721.db2.gz MKLWSDMMBVIVEB-PHIMTYICSA-N 1 1 253.298 0.328 20 10 CCCDMO COc1ccc(CNC(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)c(O)c1 ZINC000907925508 617256151 /nfs/dbraw/zinc/25/61/51/617256151.db2.gz HYDXESIZSSRVEJ-IAQYHMDHSA-N 1 1 294.351 0.472 20 10 CCCDMO COc1cccc(O)c1C[N@@H+]1CCO[C@H](CC(N)=O)C1 ZINC000862534753 617305332 /nfs/dbraw/zinc/30/53/32/617305332.db2.gz FZRIRKBQXAUOBF-SNVBAGLBSA-N 1 1 280.324 0.477 20 10 CCCDMO COc1cccc(O)c1C[N@H+]1CCO[C@H](CC(N)=O)C1 ZINC000862534753 617305335 /nfs/dbraw/zinc/30/53/35/617305335.db2.gz FZRIRKBQXAUOBF-SNVBAGLBSA-N 1 1 280.324 0.477 20 10 CCCDMO CCN(C)c1ccc(C[N@@H+]2C[C@H](CO)[C@H](O)C2)cc1 ZINC000839171598 614921224 /nfs/dbraw/zinc/92/12/24/614921224.db2.gz HWYQVHCMWRBTSR-UKRRQHHQSA-N 1 1 264.369 0.928 20 10 CCCDMO CCOc1ccc(C[N@H+]2CC[C@](O)(C(=O)OC)C2)c(O)c1 ZINC000895707079 615510662 /nfs/dbraw/zinc/51/06/62/615510662.db2.gz IMDHRJFEEVZTLC-OAHLLOKOSA-N 1 1 295.335 0.901 20 10 CCCDMO CN(C)c1ccc(/C=C/C[N@@H+]2C[C@H](O)C[C@H]2C(N)=O)cc1 ZINC000895371934 616011439 /nfs/dbraw/zinc/01/14/39/616011439.db2.gz ZSNBTGWBQXDBMO-RYIMYRPNSA-N 1 1 289.379 0.686 20 10 CCCDMO CN(C)c1ccc(/C=C/C[N@H+]2C[C@H](O)C[C@H]2C(N)=O)cc1 ZINC000895371934 616011440 /nfs/dbraw/zinc/01/14/40/616011440.db2.gz ZSNBTGWBQXDBMO-RYIMYRPNSA-N 1 1 289.379 0.686 20 10 CCCDMO CN(C)c1ccc(C[N@@H+]2CCC(=O)NCC23COC3)cc1 ZINC000880400019 616013961 /nfs/dbraw/zinc/01/39/61/616013961.db2.gz CSJGIHUSGSGRRJ-UHFFFAOYSA-N 1 1 289.379 0.844 20 10 CCCDMO CN(C)c1ccc(C[N@H+]2CCC(=O)NCC23COC3)cc1 ZINC000880400019 616013962 /nfs/dbraw/zinc/01/39/62/616013962.db2.gz CSJGIHUSGSGRRJ-UHFFFAOYSA-N 1 1 289.379 0.844 20 10 CCCDMO C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCc1ccc(O)c(O)c1 ZINC000901132166 616320723 /nfs/dbraw/zinc/32/07/23/616320723.db2.gz RTAQHFBMWCPGLH-HZMBPMFUSA-N 1 1 280.324 0.169 20 10 CCCDMO C[N@H+]1C[C@H](O)C[C@@H]1CNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000924990499 616449133 /nfs/dbraw/zinc/44/91/33/616449133.db2.gz VXWKHQXUUANTAH-WEPHUFDCSA-N 1 1 292.335 0.292 20 10 CCCDMO CO[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)C[C@H]1O ZINC000825017544 616776191 /nfs/dbraw/zinc/77/61/91/616776191.db2.gz UIETWPMUHMINCZ-ZIAGYGMSSA-N 1 1 250.342 0.944 20 10 CCCDMO COC[C@@H]1C[C@@H](O)C[N@H+]1Cc1cccc(OC)c1O ZINC000846047194 616992145 /nfs/dbraw/zinc/99/21/45/616992145.db2.gz KNSYTFWUGMAVMI-NWDGAFQWSA-N 1 1 267.325 0.982 20 10 CCCDMO C[NH2+][C@@H](C(=O)NCCc1ccc(N)cc1)c1cnn(C)c1 ZINC000832659214 617040747 /nfs/dbraw/zinc/04/07/47/617040747.db2.gz TWNOUCKCTLQWOR-CQSZACIVSA-N 1 1 287.367 0.622 20 10 CCCDMO Cc1cc(N(C)C)ccc1C[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC000840912096 625493012 /nfs/dbraw/zinc/49/30/12/625493012.db2.gz AUVYMYCJCIEZOY-CQSZACIVSA-N 1 1 277.368 0.747 20 10 CCCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCO[C@@H](C(N)=O)C1 ZINC000840912096 625493023 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Cc1cccc(C[N@H+]2CC[C@H](CO)[C@@H](O)C2)c1O ZINC001231590688 805821065 /nfs/dbraw/zinc/82/10/65/805821065.db2.gz DTMXFARJWNKKHI-OLZOCXBDSA-N 1 1 251.326 0.876 20 10 CCCDMO COc1cc(C[N@H+]2CC[C@@H](O)[C@](C)(CO)C2)c(O)cc1O ZINC001231634464 805821755 /nfs/dbraw/zinc/82/17/55/805821755.db2.gz NKMKLOKGKOHREI-CABCVRRESA-N 1 1 297.351 0.672 20 10 CCCDMO CN(C)c1ccc(C[N@H+]2CC[C@@H](CO)[C@@H](O)C2)c(O)c1 ZINC001232836294 805986025 /nfs/dbraw/zinc/98/60/25/805986025.db2.gz MWNUXAYBBWPQAY-WFASDCNBSA-N 1 1 280.368 0.633 20 10 CCCDMO C[C@@H]1CNC(=O)C[N@@H+]1Cc1ccc(N(C)C)cc1O ZINC001232840043 805986181 /nfs/dbraw/zinc/98/61/81/805986181.db2.gz KUMXQTAONQUORB-SNVBAGLBSA-N 1 1 263.341 0.779 20 10 CCCDMO C[C@@H]1CNC(=O)C[N@H+]1Cc1ccc(N(C)C)cc1O ZINC001232840043 805986190 /nfs/dbraw/zinc/98/61/90/805986190.db2.gz KUMXQTAONQUORB-SNVBAGLBSA-N 1 1 263.341 0.779 20 10 CCCDMO C[N@H+]1CC[C@H]2CN(Cc3cc(O)c(O)c(O)c3)C[C@H]21 ZINC001233016537 806008965 /nfs/dbraw/zinc/00/89/65/806008965.db2.gz GYAFUGRQGIRRDY-WDEREUQCSA-N 1 1 264.325 0.939 20 10 CCCDMO Oc1cc(CN2CC[N@H+]3CC[C@@H]3C2)cc(O)c1O ZINC001233016153 806009469 /nfs/dbraw/zinc/00/94/69/806009469.db2.gz OECRQCGNQSABDM-SNVBAGLBSA-N 1 1 250.298 0.693 20 10 CCCDMO COc1cc(C[N@H+]2CCOC[C@@H](O)C2)c(O)c(OC)c1 ZINC001237668223 806709082 /nfs/dbraw/zinc/70/90/82/806709082.db2.gz AQNHQWPDZOSQFY-NSHDSACASA-N 1 1 283.324 0.603 20 10 CCCDMO OC[C@@H]1C[N@H+](Cc2c(O)cccc2F)CC[C@H]1O ZINC001137832884 799689953 /nfs/dbraw/zinc/68/99/53/799689953.db2.gz LAULHVVPZMJIFE-JOYOIKCWSA-N 1 1 255.289 0.706 20 10 CCCDMO OC[C@@H]1C[N@@H+](Cc2c(O)cccc2F)CC[C@H]1O ZINC001137832884 799689956 /nfs/dbraw/zinc/68/99/56/799689956.db2.gz LAULHVVPZMJIFE-JOYOIKCWSA-N 1 1 255.289 0.706 20 10 CCCDMO OC[C@H]1C[N@@H+](Cc2ccc(Cl)cc2O)C[C@H]1O ZINC001140463119 799910324 /nfs/dbraw/zinc/91/03/24/799910324.db2.gz TXHZHQFJONJKEV-BXKDBHETSA-N 1 1 257.717 0.831 20 10 CCCDMO Cc1c(O)ccc(C[N@@H+]2CCO[C@H](CO)C2)c1O ZINC001140742713 799938255 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ZINC001203669485 803040692 /nfs/dbraw/zinc/04/06/92/803040692.db2.gz DKYXACLMYQAIAQ-HUUCEWRRSA-N 1 1 281.352 0.966 20 10 CCCDMO COc1ccc(O)c(C[N@H+]2CC[C@@H](O)[C@](C)(CO)C2)c1 ZINC001203669480 803042005 /nfs/dbraw/zinc/04/20/05/803042005.db2.gz DKYXACLMYQAIAQ-CABCVRRESA-N 1 1 281.352 0.966 20 10 CCCDMO CCOc1ccc(CN2C[C@H](O)[C@@H](C[NH3+])C2)c(O)c1 ZINC001206534758 803262979 /nfs/dbraw/zinc/26/29/79/803262979.db2.gz CBJGXDJHMUGOQQ-FZMZJTMJSA-N 1 1 266.341 0.542 20 10 CCCDMO NC(=O)[C@H]1CCSC12C[NH+](Cc1ccc(O)c(O)c1)C2 ZINC001276914667 804986743 /nfs/dbraw/zinc/98/67/43/804986743.db2.gz SNTYFIISTWDFEJ-SNVBAGLBSA-N 1 1 294.376 0.891 20 10 CCCDMO C[N@H+]1CCC[C@H](Oc2c(O)c(O)c(O)c(O)c2O)C1 ZINC001226466012 805235935 /nfs/dbraw/zinc/23/59/35/805235935.db2.gz ZCQNYMGLVRXKQG-LURJTMIESA-N 1 1 271.269 0.688 20 10 CCCDMO C[C@@H]1C[C@H](NC[C@@H](O)c2ccc(O)c(O)c2)CC[NH2+]1 ZINC001246076206 807142884 /nfs/dbraw/zinc/14/28/84/807142884.db2.gz YGJGFMFPEMAJHP-GLXFQSAKSA-N 1 1 266.341 0.861 20 10 CCCDMO C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(O)c(O)c3)[C@@H]2C1 ZINC001270036747 813593706 /nfs/dbraw/zinc/59/37/06/813593706.db2.gz FKPJDMMKJNSZMH-WDEREUQCSA-N 1 1 262.309 0.874 20 10 CCCDMO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000697293278 814760392 /nfs/dbraw/zinc/76/03/92/814760392.db2.gz GMXXPKCNYRYWSV-GXTWGEPZSA-N 1 1 297.376 0.523 20 10 CCCDMO CN(C)S(=O)(=O)CC[NH2+]Cc1cc(F)cc(F)c1O ZINC000708558373 819788777 /nfs/dbraw/zinc/78/87/77/819788777.db2.gz GCMCPHSIVWKWKZ-UHFFFAOYSA-N 1 1 294.323 0.651 20 10 CCCDMO COC(=O)[C@@]1(F)CC[N@@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144500043 840066889 /nfs/dbraw/zinc/06/68/89/840066889.db2.gz NTDVYKVEMZVWOI-CYBMUJFWSA-N 1 1 285.271 0.890 20 10 CCCDMO CC(=O)NC1C[NH+](Cc2c(O)cc(O)cc2O)C1 ZINC001144509549 840071519 /nfs/dbraw/zinc/07/15/19/840071519.db2.gz YKNPGQWFNSAORD-UHFFFAOYSA-N 1 1 252.270 0.124 20 10 CCCDMO Cc1ccc(C)c(CN2CC[C@@H]([NH3+])[C@H](O)C2)c1O ZINC001205960033 848070691 /nfs/dbraw/zinc/07/06/91/848070691.db2.gz YAKFCTQSITXOLT-CHWSQXEVSA-N 1 1 250.342 0.903 20 10 CCCDMO Cn1ncnc1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000389321340 853990874 /nfs/dbraw/zinc/99/08/74/853990874.db2.gz GLDKEKCHAHQDHV-UHFFFAOYSA-N 1 1 287.367 0.942 20 10 CCCDMO COc1cc(C(=O)N2CC[N@H+]3CC[C@H]3C2)cc(O)c1O ZINC001193097149 900033640 /nfs/dbraw/zinc/03/36/40/900033640.db2.gz GAGIJHNQHSPKLL-JTQLQIEISA-N 1 1 278.308 0.637 20 10 CCCDMO CS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc(N)cc2)C1 ZINC001336118403 920620047 /nfs/dbraw/zinc/62/00/47/920620047.db2.gz YRBDEYKFQUEJEL-LBPRGKRZSA-N 1 1 254.355 0.888 20 10 CCCDMO CS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc(N)cc2)C1 ZINC001336118403 920620058 /nfs/dbraw/zinc/62/00/58/920620058.db2.gz YRBDEYKFQUEJEL-LBPRGKRZSA-N 1 1 254.355 0.888 20 10 CCCDMO C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N(C)c1ccc(N)cc1 ZINC001340847479 922240297 /nfs/dbraw/zinc/24/02/97/922240297.db2.gz KFDWDGYELKHCSA-SMDDNHRTSA-N 1 1 274.368 0.620 20 10 CCCDMO C[C@@H](NC(=O)[C@@H]1C[N@H+]2CCN1C[C@@H]2C)c1ccccc1O ZINC001348994399 924861004 /nfs/dbraw/zinc/86/10/04/924861004.db2.gz XNQGRODJTIIQIN-SCRDCRAPSA-N 1 1 289.379 0.958 20 10 CCCDMO C[C@@H](NC(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C)c1ccccc1O ZINC001348994401 924861744 /nfs/dbraw/zinc/86/17/44/924861744.db2.gz XNQGRODJTIIQIN-YRGRVCCFSA-N 1 1 289.379 0.958 20 10 CCCDMO C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCc1cccc(O)c1O ZINC001349079852 924879896 /nfs/dbraw/zinc/87/98/96/924879896.db2.gz UHZXILJWYPVOMB-JQWIXIFHSA-N 1 1 291.351 0.102 20 10 CCCDMO CC[N@@H+]1CCO[C@H](C(=O)NCc2cccc(O)c2O)C1 ZINC001350299549 925165689 /nfs/dbraw/zinc/16/56/89/925165689.db2.gz DAFXFVWDTZJTCH-LBPRGKRZSA-N 1 1 280.324 0.435 20 10 CCCDMO CC[N@H+]1CCO[C@H](C(=O)NCc2cccc(O)c2O)C1 ZINC001350299549 925165692 /nfs/dbraw/zinc/16/56/92/925165692.db2.gz DAFXFVWDTZJTCH-LBPRGKRZSA-N 1 1 280.324 0.435 20 10 CCCDMO COCC[N@H+]1CC[C@H](NC(=O)c2ccc(C)c(O)c2O)C1 ZINC000272893438 353104008 /nfs/dbraw/zinc/10/40/08/353104008.db2.gz ZPLYLXUBUYJHPP-NSHDSACASA-N 1 1 294.351 0.857 20 10 CCCDMO COC[C@H](O)C[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000273583704 353112765 /nfs/dbraw/zinc/11/27/65/353112765.db2.gz NGLNTAJTQVGPOP-GXSJLCMTSA-N 1 1 283.324 0.837 20 10 CCCDMO COc1ccc(O)c(C[N@H+]2CCOC[C@@H](O)C2)c1 ZINC000294736216 199158790 /nfs/dbraw/zinc/15/87/90/199158790.db2.gz GRWYHUGOPVNTKT-NSHDSACASA-N 1 1 253.298 0.594 20 10 CCCDMO OC[C@H]1CC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000092764681 389032467 /nfs/dbraw/zinc/03/24/67/389032467.db2.gz DJMUHFGIEUQQFG-VIFPVBQESA-N 1 1 251.282 0.935 20 10 CCCDMO O=C1CO[C@@H]2CC[N@@H+](Cc3cccc(F)c3O)C[C@H]2N1 ZINC000366769495 389309860 /nfs/dbraw/zinc/30/98/60/389309860.db2.gz HWHMWNAWJSQDEZ-VXGBXAGGSA-N 1 1 280.299 0.621 20 10 CCCDMO O=C1CO[C@@H]2CC[N@H+](Cc3cccc(F)c3O)C[C@H]2N1 ZINC000366769495 389309862 /nfs/dbraw/zinc/30/98/62/389309862.db2.gz HWHMWNAWJSQDEZ-VXGBXAGGSA-N 1 1 280.299 0.621 20 10 CCCDMO COc1cccc(C[N@H+]2CCN3C(=O)NC[C@H]3C2)c1O ZINC000156065343 389323591 /nfs/dbraw/zinc/32/35/91/389323591.db2.gz WKUFULSEFIQAEI-NSHDSACASA-N 1 1 277.324 0.610 20 10 CCCDMO CNC(=O)CC[N@@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000179412595 389656265 /nfs/dbraw/zinc/65/62/65/389656265.db2.gz GRMXRBPKLMDCBB-UHFFFAOYSA-N 1 1 266.297 0.689 20 10 CCCDMO COc1ccc(O)c(C[NH+]2CCN(CC(N)=O)CC2)c1 ZINC000179638275 389661829 /nfs/dbraw/zinc/66/18/29/389661829.db2.gz FZFQFUUITGSVRH-UHFFFAOYSA-N 1 1 279.340 0.004 20 10 CCCDMO O=C1NC[C@@H]2C[N@H+](Cc3cc4c(cc3O)OCO4)CCN12 ZINC000211298473 527074958 /nfs/dbraw/zinc/07/49/58/527074958.db2.gz BKSDFJHDRIECSZ-SNVBAGLBSA-N 1 1 291.307 0.330 20 10 CCCDMO O=C1NC[C@@H]2C[N@@H+](Cc3cc4c(cc3O)OCO4)CCN12 ZINC000211298473 527074964 /nfs/dbraw/zinc/07/49/64/527074964.db2.gz BKSDFJHDRIECSZ-SNVBAGLBSA-N 1 1 291.307 0.330 20 10 CCCDMO O=C(NCCC[NH+]1CCOCC1)NCc1ccccc1O ZINC000299506151 527670627 /nfs/dbraw/zinc/67/06/27/527670627.db2.gz MPZWFBVGQZMKMX-UHFFFAOYSA-N 1 1 293.367 0.914 20 10 CCCDMO COc1ccc(O)c(C[NH+]2CCN(C(=O)CO)CC2)c1 ZINC000793590947 581304205 /nfs/dbraw/zinc/30/42/05/581304205.db2.gz DRLODDIUZKNSOD-UHFFFAOYSA-N 1 1 280.324 0.037 20 10 CCCDMO NS(=O)(=O)[C@H]1CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000785984471 581597653 /nfs/dbraw/zinc/59/76/53/581597653.db2.gz FPMYZIKLTGRPND-QMMMGPOBSA-N 1 1 290.772 0.908 20 10 CCCDMO NS(=O)(=O)[C@H]1CC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000785984471 581597656 /nfs/dbraw/zinc/59/76/56/581597656.db2.gz FPMYZIKLTGRPND-QMMMGPOBSA-N 1 1 290.772 0.908 20 10 CCCDMO COc1cccc(O)c1C[NH+]1CCN(C[C@@H](C)O)CC1 ZINC000769327863 581684183 /nfs/dbraw/zinc/68/41/83/581684183.db2.gz NFWYKYJHUKCVFB-GFCCVEGCSA-N 1 1 280.368 0.899 20 10 CCCDMO COc1cccc(O)c1C[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000769565459 581696530 /nfs/dbraw/zinc/69/65/30/581696530.db2.gz XGDUNECRLZVEKR-AOOOYVTPSA-N 1 1 253.298 0.328 20 10 CCCDMO CCOc1cccc(C[N@@H+]2C[C@H](O)C[C@H](O)C2)c1O ZINC000769562773 581696632 /nfs/dbraw/zinc/69/66/32/581696632.db2.gz FFAPSSAVEKLANV-TXEJJXNPSA-N 1 1 267.325 0.718 20 10 CCCDMO CCNC(=O)CN(C)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774847362 581999477 /nfs/dbraw/zinc/99/94/77/581999477.db2.gz XZWMRCMCTZWKDQ-UHFFFAOYSA-N 1 1 297.311 0.877 20 10 CCCDMO COc1c([O-])c(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000774914217 582002330 /nfs/dbraw/zinc/00/23/30/582002330.db2.gz MICGFSKGMLMKOG-PHIMTYICSA-N 1 1 293.323 0.960 20 10 CCCDMO COc1c([O-])c(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000774914217 582002332 /nfs/dbraw/zinc/00/23/32/582002332.db2.gz MICGFSKGMLMKOG-PHIMTYICSA-N 1 1 293.323 0.960 20 10 CCCDMO COc1ccc(C[N@@H+]2C[C@H](C)O[C@H](CO)C2)c(O)c1OC ZINC000893938061 617252044 /nfs/dbraw/zinc/25/20/44/617252044.db2.gz LWZUKLHOFQPQKE-JQWIXIFHSA-N 1 1 297.351 0.991 20 10 CCCDMO COc1ccc(C[N@H+]2C[C@H](C)O[C@H](CO)C2)c(O)c1OC ZINC000893938061 617252045 /nfs/dbraw/zinc/25/20/45/617252045.db2.gz LWZUKLHOFQPQKE-JQWIXIFHSA-N 1 1 297.351 0.991 20 10 CCCDMO COc1ccc(CNC(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)c(O)c1 ZINC000907925510 617255989 /nfs/dbraw/zinc/25/59/89/617255989.db2.gz HYDXESIZSSRVEJ-XHDPSFHLSA-N 1 1 294.351 0.472 20 10 CCCDMO COc1ccc(O)c(C[N@H+]2CCN(CCO)C[C@H]2C)c1 ZINC000825338348 617272750 /nfs/dbraw/zinc/27/27/50/617272750.db2.gz OPHBJMPXWVZFLI-GFCCVEGCSA-N 1 1 280.368 0.899 20 10 CCCDMO COc1ccc(O)c(CN2CC[N@H+](CCO)C[C@H]2C)c1 ZINC000825338348 617272752 /nfs/dbraw/zinc/27/27/52/617272752.db2.gz OPHBJMPXWVZFLI-GFCCVEGCSA-N 1 1 280.368 0.899 20 10 CCCDMO COc1ccc(O)c(CN2CC[N@@H+](CCO)C[C@H]2C)c1 ZINC000825338348 617272754 /nfs/dbraw/zinc/27/27/54/617272754.db2.gz OPHBJMPXWVZFLI-GFCCVEGCSA-N 1 1 280.368 0.899 20 10 CCCDMO COc1cccc(CNC(=O)NC[C@@H]2CC[N@H+]2C)c1O ZINC000925411005 617298597 /nfs/dbraw/zinc/29/85/97/617298597.db2.gz LZNPUSKIMKRIFU-NSHDSACASA-N 1 1 279.340 0.904 20 10 CCCDMO CCOc1ccc(C[N@H+]2CC[C@@H](O)[C@@H](O)C2)c(O)c1 ZINC000877748441 615510454 /nfs/dbraw/zinc/51/04/54/615510454.db2.gz BKOSCZGZCQJZAO-OCCSQVGLSA-N 1 1 267.325 0.718 20 10 CCCDMO CN(C)c1ccc(C[N@H+]2CC[C@@H](O)[C@@H](O)C2)cc1F ZINC000877749539 616014247 /nfs/dbraw/zinc/01/42/47/616014247.db2.gz WNODZKLNLNTBBS-KGLIPLIRSA-N 1 1 268.332 0.819 20 10 CCCDMO CN(C)c1ccc(CNc2nc(N)nc(N)[nH+]2)cc1 ZINC000858325252 616015907 /nfs/dbraw/zinc/01/59/07/616015907.db2.gz SCOBRXOWAPFMFJ-UHFFFAOYSA-N 1 1 259.317 0.714 20 10 CCCDMO CN(Cc1ccccc1O)C(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC000901054088 616170986 /nfs/dbraw/zinc/17/09/86/616170986.db2.gz AEFJMIVOSOJHIO-WFASDCNBSA-N 1 1 278.352 0.806 20 10 CCCDMO C[N@H+](Cc1ccccc1O)C[C@H](O)C1(O)CCOCC1 ZINC000929975010 616171101 /nfs/dbraw/zinc/17/11/01/616171101.db2.gz CRSIHKQLDZPVSE-AWEZNQCLSA-N 1 1 281.352 0.726 20 10 CCCDMO CN1CCN(c2ccc(C[NH2+][C@@H]3COC[C@@H]3O)cc2)CC1 ZINC000865667043 616247230 /nfs/dbraw/zinc/24/72/30/616247230.db2.gz SEKMGBWWXCBSEI-CVEARBPZSA-N 1 1 291.395 0.288 20 10 CCCDMO C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCc1ccc(O)cc1O ZINC000910942378 616320075 /nfs/dbraw/zinc/32/00/75/616320075.db2.gz CGIBGSPZARASAY-FZMZJTMJSA-N 1 1 280.324 0.169 20 10 CCCDMO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000843435189 616423331 /nfs/dbraw/zinc/42/33/31/616423331.db2.gz QWQAOWQTMIGCHE-ZYHUDNBSSA-N 1 1 283.299 0.887 20 10 CCCDMO COc1c([O-])c(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)ccc1[N+](=O)[O-] ZINC000841079452 617149107 /nfs/dbraw/zinc/14/91/07/617149107.db2.gz IGVUNPFXFBEMRQ-JZYVYDRUSA-N 1 1 279.296 0.616 20 10 CCCDMO COc1ccc(O)c(CN2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000314011065 623866702 /nfs/dbraw/zinc/86/67/02/623866702.db2.gz FLWZJJNSJFKBDR-AWEZNQCLSA-N 1 1 291.395 0.880 20 10 CCCDMO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(N)cc1 ZINC000841112460 631588318 /nfs/dbraw/zinc/58/83/18/631588318.db2.gz MMAFQXMIZBAALP-GHMZBOCLSA-N 1 1 290.367 0.758 20 10 CCCDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc(N)cc1 ZINC000841112460 631588324 /nfs/dbraw/zinc/58/83/24/631588324.db2.gz MMAFQXMIZBAALP-GHMZBOCLSA-N 1 1 290.367 0.758 20 10 CCCDMO Cc1ccc(C[N@H+]2CC[C@@H](CS(N)(=O)=O)C2)c(O)c1 ZINC000897052447 632380452 /nfs/dbraw/zinc/38/04/52/632380452.db2.gz LUXHQVHIITXCCZ-LLVKDONJSA-N 1 1 284.381 0.811 20 10 CCCDMO Cc1ccc(C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)c(O)c1O ZINC000843997949 643140420 /nfs/dbraw/zinc/14/04/20/643140420.db2.gz HVZLUVIBUBKHIM-LLVKDONJSA-N 1 1 292.335 0.297 20 10 CCCDMO Cc1ccc(C(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)c(O)c1O ZINC000843997949 643140424 /nfs/dbraw/zinc/14/04/24/643140424.db2.gz HVZLUVIBUBKHIM-LLVKDONJSA-N 1 1 292.335 0.297 20 10 CCCDMO Cc1cccc(CN2CC[N@H+]3C[C@H](O)C[C@H]3C2)c1O ZINC000848925724 643689975 /nfs/dbraw/zinc/68/99/75/643689975.db2.gz DYCJZLOERQDGNV-UONOGXRCSA-N 1 1 262.353 0.951 20 10 CCCDMO Cc1cccc(C[N@@H+]2CCN3C[C@H](O)C[C@H]3C2)c1O ZINC000848925724 643689981 /nfs/dbraw/zinc/68/99/81/643689981.db2.gz DYCJZLOERQDGNV-UONOGXRCSA-N 1 1 262.353 0.951 20 10 CCCDMO Cc1cccc(C[N@H+]2CCN3C[C@H](O)C[C@H]3C2)c1O ZINC000848925724 643689984 /nfs/dbraw/zinc/68/99/84/643689984.db2.gz DYCJZLOERQDGNV-UONOGXRCSA-N 1 1 262.353 0.951 20 10 CCCDMO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)c1O ZINC000396850723 790552212 /nfs/dbraw/zinc/55/22/12/790552212.db2.gz KRWYKEYWDUWOJO-RISCZKNCSA-N 1 1 297.326 0.909 20 10 CCCDMO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](O)[C@@H](CO)C2)c1O ZINC000396850723 790552218 /nfs/dbraw/zinc/55/22/18/790552218.db2.gz KRWYKEYWDUWOJO-RISCZKNCSA-N 1 1 297.326 0.909 20 10 CCCDMO CNC(=O)C[N@H+](C)Cc1cc(OC)c(O)cc1O ZINC001231635100 805822084 /nfs/dbraw/zinc/82/20/84/805822084.db2.gz VVCITISTXUJQAC-UHFFFAOYSA-N 1 1 254.286 0.284 20 10 CCCDMO CNC(=O)C[N@@H+](C)Cc1cc(OC)c(O)cc1O ZINC001231635100 805822095 /nfs/dbraw/zinc/82/20/95/805822095.db2.gz VVCITISTXUJQAC-UHFFFAOYSA-N 1 1 254.286 0.284 20 10 CCCDMO COc1cc(C[N@H+]2CC[C@@H](O)[C@H](CO)C2)c(O)cc1O ZINC001231633890 805822515 /nfs/dbraw/zinc/82/25/15/805822515.db2.gz CEXRKGGCNRPPSB-WDEREUQCSA-N 1 1 283.324 0.282 20 10 CCCDMO COc1cc(O)c(C[N@@H+]2CC[C@H]3C[C@]32C(N)=O)c(OC)c1 ZINC001277588055 805868648 /nfs/dbraw/zinc/86/86/48/805868648.db2.gz CZZCZDFHKSBJPC-BJOHPYRUSA-N 1 1 292.335 0.859 20 10 CCCDMO COc1cc(O)c(C[N@H+]2CC[C@H]3C[C@]32C(N)=O)c(OC)c1 ZINC001277588055 805868655 /nfs/dbraw/zinc/86/86/55/805868655.db2.gz CZZCZDFHKSBJPC-BJOHPYRUSA-N 1 1 292.335 0.859 20 10 CCCDMO Oc1cc(O)c(CN2CC[N@H+]3CC[C@@H]3C2)cc1O ZINC001233487851 806065446 /nfs/dbraw/zinc/06/54/46/806065446.db2.gz UWOAOJPHEBUIAQ-SNVBAGLBSA-N 1 1 250.298 0.693 20 10 CCCDMO COC(=O)[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2O)C[C@H]1N ZINC001236361210 806587459 /nfs/dbraw/zinc/58/74/59/806587459.db2.gz XOHNDAVVIKZWPG-CHWSQXEVSA-N 1 1 293.367 0.390 20 10 CCCDMO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2O)C[C@H]1N ZINC001236361210 806587466 /nfs/dbraw/zinc/58/74/66/806587466.db2.gz XOHNDAVVIKZWPG-CHWSQXEVSA-N 1 1 293.367 0.390 20 10 CCCDMO COc1cc(C)c(C[N@H+]2C[C@@H](O)[C@H](CO)C2)c(O)c1 ZINC001236807645 806612336 /nfs/dbraw/zinc/61/23/36/806612336.db2.gz HLGHGPBHANVWBH-IINYFYTJSA-N 1 1 267.325 0.494 20 10 CCCDMO COc1cc(C)c(C[N@H+]2CC[C@@H](O)[C@H](CO)C2)c(O)c1 ZINC001236808092 806612466 /nfs/dbraw/zinc/61/24/66/806612466.db2.gz MEMWSMGLDLIXMP-SMDDNHRTSA-N 1 1 281.352 0.884 20 10 CCCDMO CC[N@@H+]1CCO[C@@H](C(=O)NCc2ccc(N)cc2)C1 ZINC001122535884 799257428 /nfs/dbraw/zinc/25/74/28/799257428.db2.gz KSFZKXWZKHAHCR-CYBMUJFWSA-N 1 1 263.341 0.606 20 10 CCCDMO CC[N@H+]1CCO[C@@H](C(=O)NCc2ccc(N)cc2)C1 ZINC001122535884 799257432 /nfs/dbraw/zinc/25/74/32/799257432.db2.gz KSFZKXWZKHAHCR-CYBMUJFWSA-N 1 1 263.341 0.606 20 10 CCCDMO COC(=O)[C@H]1CN(C)CCN1Cc1cccc(F)c1[O-] ZINC001138131046 799703336 /nfs/dbraw/zinc/70/33/36/799703336.db2.gz OCIXXMJMYFPVIY-GFCCVEGCSA-N 1 1 282.315 0.820 20 10 CCCDMO CN1CCCc2cc(C[N@H+]3C[C@@H](O)[C@H](CO)C3)ccc21 ZINC001138354453 799723275 /nfs/dbraw/zinc/72/32/75/799723275.db2.gz KKXJQNGGKCHNTG-GOEBONIOSA-N 1 1 276.380 0.854 20 10 CCCDMO OC1C[NH+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001140283402 799901356 /nfs/dbraw/zinc/90/13/56/799901356.db2.gz SGQQOYNZURJWOF-UHFFFAOYSA-N 1 1 262.353 0.824 20 10 CCCDMO COc1cc(O)c(C[N@H+]2CC[C@H](CO)[C@H](O)C2)c(OC)c1 ZINC001141031579 799973426 /nfs/dbraw/zinc/97/34/26/799973426.db2.gz IDEUAXBPVWJLIS-QMTHXVAHSA-N 1 1 297.351 0.585 20 10 CCCDMO CCOc1cccc(C[N@H+]2CC[C@H](CO)[C@H](O)C2)c1O ZINC001203602231 803036616 /nfs/dbraw/zinc/03/66/16/803036616.db2.gz KIVKWXCCMVUACK-CHWSQXEVSA-N 1 1 281.352 0.966 20 10 CCCDMO COc1ccc(O)c(C[N@H+]2CC[C@H](O)[C@@](C)(CO)C2)c1 ZINC001203669488 803040799 /nfs/dbraw/zinc/04/07/99/803040799.db2.gz DKYXACLMYQAIAQ-LSDHHAIUSA-N 1 1 281.352 0.966 20 10 CCCDMO NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(O)cc2O)C1 ZINC001204272220 803074887 /nfs/dbraw/zinc/07/48/87/803074887.db2.gz KCPFATZQRTZJDB-SNVBAGLBSA-N 1 1 250.298 0.795 20 10 CCCDMO CN(C)C(=O)CN1CC[NH+](Cc2ccc(O)cc2O)CC1 ZINC001204274689 803075169 /nfs/dbraw/zinc/07/51/69/803075169.db2.gz GFLWXPSBQZLQPZ-UHFFFAOYSA-N 1 1 293.367 0.304 20 10 CCCDMO COc1cc(C[N@@H+]2CC[C@@H](O)[C@@](C)(CO)C2)cc(O)c1O ZINC001204342361 803080419 /nfs/dbraw/zinc/08/04/19/803080419.db2.gz LAKCJDZGUFKGOW-UKRRQHHQSA-N 1 1 297.351 0.672 20 10 CCCDMO COc1cc(C[N@H+]2CC[C@@H](O)[C@@](C)(CO)C2)cc(O)c1O ZINC001204342361 803080423 /nfs/dbraw/zinc/08/04/23/803080423.db2.gz LAKCJDZGUFKGOW-UKRRQHHQSA-N 1 1 297.351 0.672 20 10 CCCDMO COc1cc(C[N@H+]2CC[C@]3(CCNC3=O)C2)cc(O)c1O ZINC001204346816 803081195 /nfs/dbraw/zinc/08/11/95/803081195.db2.gz HLMLSFHBOPMRCE-OAHLLOKOSA-N 1 1 292.335 0.818 20 10 CCCDMO [NH3+]C[C@]1(O)CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2O)CC1 ZINC001205239463 803129624 /nfs/dbraw/zinc/12/96/24/803129624.db2.gz BRWFBMPDVNVQMU-HNNXBMFYSA-N 1 1 294.351 0.766 20 10 CCCDMO Cc1cc(F)cc(CN2C[C@@H](O)[C@@H](C[NH3+])C2)c1O ZINC001206491741 803253340 /nfs/dbraw/zinc/25/33/40/803253340.db2.gz KWWFMSFRUDOAST-CMPLNLGQSA-N 1 1 254.305 0.591 20 10 CCCDMO Cc1cc(F)cc(CN2C[C@H](O)[C@@H](C[NH3+])C2)c1O ZINC001206535506 803263225 /nfs/dbraw/zinc/26/32/25/803263225.db2.gz KWWFMSFRUDOAST-JQWIXIFHSA-N 1 1 254.305 0.591 20 10 CCCDMO O=C(C[NH2+]Cc1cc(F)c(F)cc1O)N1CCCO1 ZINC001207773088 803447657 /nfs/dbraw/zinc/44/76/57/803447657.db2.gz AJULURNJHNMIAN-UHFFFAOYSA-N 1 1 272.251 0.924 20 10 CCCDMO C[C@@H]1C[C@H](NC[C@H](O)c2ccc(O)c(O)c2)CC[NH2+]1 ZINC001246076214 807142989 /nfs/dbraw/zinc/14/29/89/807142989.db2.gz YGJGFMFPEMAJHP-UDZFHETQSA-N 1 1 266.341 0.861 20 10 CCCDMO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(O)c(O)c(O)c1 ZINC001270069810 813613736 /nfs/dbraw/zinc/61/37/36/813613736.db2.gz QYYWOKVEIVTXLP-AOOOYVTPSA-N 1 1 278.308 0.722 20 10 CCCDMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(O)c(O)c(O)c1 ZINC001270069810 813613739 /nfs/dbraw/zinc/61/37/39/813613739.db2.gz QYYWOKVEIVTXLP-AOOOYVTPSA-N 1 1 278.308 0.722 20 10 CCCDMO CN1C[C@]2(CC[N@@H+](Cc3cc(F)ccc3O)C2)OCC1=O ZINC001273285768 821548439 /nfs/dbraw/zinc/54/84/39/821548439.db2.gz VHQQOWZBKOYILC-HNNXBMFYSA-N 1 1 294.326 0.964 20 10 CCCDMO OC[C@@H]1C[C@@H](F)C[N@H+]1Cc1c(O)cc(O)cc1O ZINC001144500703 840067638 /nfs/dbraw/zinc/06/76/38/840067638.db2.gz ZNLOZPYHOLSRGO-SFYZADRCSA-N 1 1 257.261 0.708 20 10 CCCDMO COC(=O)CO[C@H]1CC[N@@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144520722 840070466 /nfs/dbraw/zinc/07/04/66/840070466.db2.gz ZOQSPQARLWOBSW-JTQLQIEISA-N 1 1 297.307 0.567 20 10 CCCDMO C[N@@H+](CCN1CC[NH+](C)CC1)Cc1c(O)cc(O)cc1O ZINC001144514421 840073177 /nfs/dbraw/zinc/07/31/77/840073177.db2.gz CPPVQVXTLSQJQL-UHFFFAOYSA-N 1 1 295.383 0.483 20 10 CCCDMO CN1CCN(CC[N@H+](C)Cc2c(O)cc(O)cc2O)CC1 ZINC001144514421 840073184 /nfs/dbraw/zinc/07/31/84/840073184.db2.gz CPPVQVXTLSQJQL-UHFFFAOYSA-N 1 1 295.383 0.483 20 10 CCCDMO CN1CCN(CC[N@@H+](C)Cc2c(O)cc(O)cc2O)CC1 ZINC001144514421 840073192 /nfs/dbraw/zinc/07/31/92/840073192.db2.gz CPPVQVXTLSQJQL-UHFFFAOYSA-N 1 1 295.383 0.483 20 10 CCCDMO CN1CC2(C1)CC[N@@H+](Cc1c(O)cc(O)cc1O)C2 ZINC001144515478 840074404 /nfs/dbraw/zinc/07/44/04/840074404.db2.gz PXGVYJBNOQIAIE-UHFFFAOYSA-N 1 1 264.325 0.941 20 10 CCCDMO COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1Cc1cc(C)ccc1O ZINC000187569888 351547361 /nfs/dbraw/zinc/54/73/61/351547361.db2.gz QGBLUSNOQFVIBC-VXGBXAGGSA-N 1 1 265.309 0.809 20 10 CCCDMO COC(=O)[C@H]1C[C@@H](O)C[N@H+]1Cc1cc(C)ccc1O ZINC000187569888 351547365 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ZINC000180176126 389667235 /nfs/dbraw/zinc/66/72/35/389667235.db2.gz ZXRMWUZBUZTETI-LLVKDONJSA-N 1 1 288.344 0.655 20 10 CCCDMO CS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000180176126 389667240 /nfs/dbraw/zinc/66/72/40/389667240.db2.gz ZXRMWUZBUZTETI-LLVKDONJSA-N 1 1 288.344 0.655 20 10 CCCDMO C[C@@H]1C[N@H+](Cc2cc(F)ccc2O)C[C@@H](C(N)=O)O1 ZINC000180276288 389668323 /nfs/dbraw/zinc/66/83/23/389668323.db2.gz PGFWDMJJEZRLGU-PELKAZGASA-N 1 1 268.288 0.606 20 10 CCCDMO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2O)C[C@@H](C(N)=O)O1 ZINC000180276288 389668327 /nfs/dbraw/zinc/66/83/27/389668327.db2.gz PGFWDMJJEZRLGU-PELKAZGASA-N 1 1 268.288 0.606 20 10 CCCDMO COc1c(O)c(C[N@H+]2CC[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000278294462 521868897 /nfs/dbraw/zinc/86/88/97/521868897.db2.gz VEIUKKFVNYHMKQ-SECBINFHSA-N 1 1 268.269 0.876 20 10 CCCDMO C[N@H+]1CCCN(C(=O)c2cccc(O)c2O)CC1 ZINC000126236551 523805361 /nfs/dbraw/zinc/80/53/61/523805361.db2.gz PFLXNVKMSPPLIF-UHFFFAOYSA-N 1 1 250.298 0.876 20 10 CCCDMO C[N@H+]1CC[C@@H](CNC(=O)c2c(F)ccc(O)c2O)C1 ZINC000276599349 523961312 /nfs/dbraw/zinc/96/13/12/523961312.db2.gz QWMHQGGAERYVKS-QMMMGPOBSA-N 1 1 268.288 0.918 20 10 CCCDMO Cc1ccc(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)c(O)c1O ZINC000780982860 581254118 /nfs/dbraw/zinc/25/41/18/581254118.db2.gz CFLZGQZCEHSZDN-PWSUYJOCSA-N 1 1 294.351 0.855 20 10 CCCDMO Cc1ccc(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)c(O)c1O ZINC000780982860 581254119 /nfs/dbraw/zinc/25/41/19/581254119.db2.gz CFLZGQZCEHSZDN-PWSUYJOCSA-N 1 1 294.351 0.855 20 10 CCCDMO COc1cc(C[N@@H+]2CCO[C@@H](CC(N)=O)C2)c(O)cc1C ZINC000863326858 617186137 /nfs/dbraw/zinc/18/61/37/617186137.db2.gz TYIDCFAWPJSGGA-LBPRGKRZSA-N 1 1 294.351 0.785 20 10 CCCDMO COc1cc(C[N@H+]2CCO[C@@H](CC(N)=O)C2)c(O)cc1C ZINC000863326858 617186138 /nfs/dbraw/zinc/18/61/38/617186138.db2.gz TYIDCFAWPJSGGA-LBPRGKRZSA-N 1 1 294.351 0.785 20 10 CCCDMO COc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](CO)C2)c(O)c1OC ZINC000893938063 617251759 /nfs/dbraw/zinc/25/17/59/617251759.db2.gz LWZUKLHOFQPQKE-ZYHUDNBSSA-N 1 1 297.351 0.991 20 10 CCCDMO COc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](CO)C2)c(O)c1OC ZINC000893938063 617251761 /nfs/dbraw/zinc/25/17/61/617251761.db2.gz LWZUKLHOFQPQKE-ZYHUDNBSSA-N 1 1 297.351 0.991 20 10 CCCDMO COc1ccc(O)c(C[N@H+]2CCN(C)C[C@H]2CO)c1 ZINC000877644370 617273003 /nfs/dbraw/zinc/27/30/03/617273003.db2.gz ORIIVTSLRARWKU-LBPRGKRZSA-N 1 1 266.341 0.509 20 10 CCCDMO COc1ccc(O)c(CN2CC[N@H+](C)C[C@H]2CO)c1 ZINC000877644370 617273004 /nfs/dbraw/zinc/27/30/04/617273004.db2.gz ORIIVTSLRARWKU-LBPRGKRZSA-N 1 1 266.341 0.509 20 10 CCCDMO COc1ccc(O)c(CN2CC[N@@H+](C)C[C@H]2CO)c1 ZINC000877644370 617273007 /nfs/dbraw/zinc/27/30/07/617273007.db2.gz ORIIVTSLRARWKU-LBPRGKRZSA-N 1 1 266.341 0.509 20 10 CCCDMO COc1ccccc1NC[C@H](O)CN1CC[NH+](C)CC1 ZINC000819393712 617316426 /nfs/dbraw/zinc/31/64/26/617316426.db2.gz GLYNSQGLOFVLOK-ZDUSSCGKSA-N 1 1 279.384 0.715 20 10 CCCDMO CCN(C)c1ccc(C[N@H+]2C[C@H](O)[C@@H](CO)C2)cc1 ZINC000839171597 614921296 /nfs/dbraw/zinc/92/12/96/614921296.db2.gz HWYQVHCMWRBTSR-HIFRSBDPSA-N 1 1 264.369 0.928 20 10 CCCDMO C[N@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H](O)CO ZINC000929185576 616167119 /nfs/dbraw/zinc/16/71/19/616167119.db2.gz OFNUIGGGFVNNFZ-OAHLLOKOSA-N 1 1 280.368 0.308 20 10 CCCDMO C[N@H+](Cc1ccccc1O)C[C@@H](O)C[C@@]1(O)CCOC1 ZINC000929976315 616171093 /nfs/dbraw/zinc/17/10/93/616171093.db2.gz MYVBFFIUUUJOIA-ZFWWWQNUSA-N 1 1 281.352 0.726 20 10 CCCDMO CN1CCN(C(=O)C[NH2+]Cc2cc(F)cc(F)c2O)CC1 ZINC000882934995 616223501 /nfs/dbraw/zinc/22/35/01/616223501.db2.gz AZKQHELEJAINLC-UHFFFAOYSA-N 1 1 299.321 0.534 20 10 CCCDMO CN1CCN(c2ccc(C[NH2+][C@@H]3COC[C@H]3O)cc2)CC1 ZINC000830648825 616247009 /nfs/dbraw/zinc/24/70/09/616247009.db2.gz SEKMGBWWXCBSEI-HZPDHXFCSA-N 1 1 291.395 0.288 20 10 CCCDMO COCCNC(=O)C1([NH2+]Cc2cccc(F)c2O)CC1 ZINC000839193073 616485169 /nfs/dbraw/zinc/48/51/69/616485169.db2.gz OFSDRRXDFSEGHN-UHFFFAOYSA-N 1 1 282.315 0.916 20 10 CCCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H]2COCCN2)c1 ZINC000863545468 616918586 /nfs/dbraw/zinc/91/85/86/616918586.db2.gz SKKGPPJFYVJZBA-JQWIXIFHSA-N 1 1 294.351 0.818 20 10 CCCDMO CNS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc(C)cc2O)C1 ZINC000876814011 617035181 /nfs/dbraw/zinc/03/51/81/617035181.db2.gz IAAUYXXXBRUWER-LBPRGKRZSA-N 1 1 284.381 0.824 20 10 CCCDMO C[C@H]1CN(Cc2cc3c(cc2O)OCO3)CC[N@H+]1CCO ZINC000190240617 622774552 /nfs/dbraw/zinc/77/45/52/622774552.db2.gz KRTQCQNFQYWLKI-NSHDSACASA-N 1 1 294.351 0.619 20 10 CCCDMO C[C@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)CCN1CCO ZINC000190240617 622774563 /nfs/dbraw/zinc/77/45/63/622774563.db2.gz KRTQCQNFQYWLKI-NSHDSACASA-N 1 1 294.351 0.619 20 10 CCCDMO C[C@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)CCN1CCO ZINC000190240617 622774573 /nfs/dbraw/zinc/77/45/73/622774573.db2.gz KRTQCQNFQYWLKI-NSHDSACASA-N 1 1 294.351 0.619 20 10 CCCDMO Cc1ccc(C(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2C)c(O)c1O ZINC000924988750 631698598 /nfs/dbraw/zinc/69/85/98/631698598.db2.gz PTYRSOJKJGMPQX-VHSXEESVSA-N 1 1 280.324 0.201 20 10 CCCDMO C[C@H](NC(=O)c1cccc(O)c1O)[C@@H]1C[N@@H+](C)CCN1C ZINC000896550020 632281027 /nfs/dbraw/zinc/28/10/27/632281027.db2.gz WRQMYOUIAOMBMA-JQWIXIFHSA-N 1 1 293.367 0.462 20 10 CCCDMO OC[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2O)C[C@@H]1O ZINC000839166919 640304326 /nfs/dbraw/zinc/30/43/26/640304326.db2.gz UQQDUWGZUGWIGU-CABZTGNLSA-N 1 1 257.717 0.831 20 10 CCCDMO OC[C@H]1C[N@@H+](Cc2c(O)cccc2Cl)C[C@H]1O ZINC000839165390 640304580 /nfs/dbraw/zinc/30/45/80/640304580.db2.gz IXGNKQIQSKVQMS-PRHODGIISA-N 1 1 257.717 0.831 20 10 CCCDMO O=C1NC(=O)[C@@H]2C[N@@H+](Cc3cc(Cl)ccc3O)C[C@H]12 ZINC000824893571 641850779 /nfs/dbraw/zinc/85/07/79/641850779.db2.gz WEFNAIZOOBNESG-AOOOYVTPSA-N 1 1 280.711 0.750 20 10 CCCDMO NC(=O)Cn1cc(C[NH2+]Cc2cc(Cl)ccc2O)nn1 ZINC000846056753 643376588 /nfs/dbraw/zinc/37/65/88/643376588.db2.gz ZKESCXFUWCCAGP-UHFFFAOYSA-N 1 1 295.730 0.412 20 10 CCCDMO Nc1ccc(CCNC(=O)NCC[N@H+]2CC[C@@H](O)C2)cc1 ZINC000861639864 644901501 /nfs/dbraw/zinc/90/15/01/644901501.db2.gz HVNNBRSUEYKTPQ-CQSZACIVSA-N 1 1 292.383 0.177 20 10 CCCDMO Cc1ccc(C[N@H+]2CCN3C(=O)NC[C@@H]3C2)c(O)c1 ZINC000876800114 646667670 /nfs/dbraw/zinc/66/76/70/646667670.db2.gz ODWULDHQWHCMOH-GFCCVEGCSA-N 1 1 261.325 0.910 20 10 CCCDMO OC[C@H](O)C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000929969757 648807814 /nfs/dbraw/zinc/80/78/14/648807814.db2.gz DADYPCWETODBGW-KGLIPLIRSA-N 1 1 281.352 0.726 20 10 CCCDMO COC(=O)[C@@H]1CC[N@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233010822 806004351 /nfs/dbraw/zinc/00/43/51/806004351.db2.gz UZTPXWPZKVGMCV-SECBINFHSA-N 1 1 267.281 0.798 20 10 CCCDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233010822 806004361 /nfs/dbraw/zinc/00/43/61/806004361.db2.gz UZTPXWPZKVGMCV-SECBINFHSA-N 1 1 267.281 0.798 20 10 CCCDMO O=C1NCC[C@@]12CCC[N@H+](Cc1cc(O)c(O)cc1O)C2 ZINC001233484001 806060022 /nfs/dbraw/zinc/06/00/22/806060022.db2.gz UMFFOQUKAVOHTA-OAHLLOKOSA-N 1 1 292.335 0.906 20 10 CCCDMO OC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cc(O)c(O)cc1O ZINC001233483422 806060482 /nfs/dbraw/zinc/06/04/82/806060482.db2.gz YTNDNGDJTFCKLE-IUCAKERBSA-N 1 1 257.261 0.708 20 10 CCCDMO OC[C@@H]1C[C@H](F)C[N@H+]1Cc1cc(O)c(O)cc1O ZINC001233483422 806060491 /nfs/dbraw/zinc/06/04/91/806060491.db2.gz YTNDNGDJTFCKLE-IUCAKERBSA-N 1 1 257.261 0.708 20 10 CCCDMO O=C([O-])c1ccc(C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c(O)c1 ZINC001235063695 806365554 /nfs/dbraw/zinc/36/55/54/806365554.db2.gz QIFLOVSCUBQHPD-OAHLLOKOSA-N 1 1 291.351 0.228 20 10 CCCDMO O=C([O-])c1ccc(C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c(O)c1 ZINC001235063695 806365564 /nfs/dbraw/zinc/36/55/64/806365564.db2.gz QIFLOVSCUBQHPD-OAHLLOKOSA-N 1 1 291.351 0.228 20 10 CCCDMO Cc1ccc(O)c(CNC(=O)[C@@H]2C[N@@H+]3CCN2C[C@@H]3C)c1 ZINC001123939170 799510486 /nfs/dbraw/zinc/51/04/86/799510486.db2.gz IRNBXFDPQJQCCN-JSGCOSHPSA-N 1 1 289.379 0.705 20 10 CCCDMO CN1CCN(c2ccc(C[N@H+](C)C[C@@H](O)CO)cc2)CC1 ZINC001139407831 799809359 /nfs/dbraw/zinc/80/93/59/799809359.db2.gz MVSBXNFIMCTZNF-MRXNPFEDSA-N 1 1 293.411 0.223 20 10 CCCDMO CN1CCN(c2ccc(C[N@@H+](C)C[C@@H](O)CO)cc2)CC1 ZINC001139407831 799809366 /nfs/dbraw/zinc/80/93/66/799809366.db2.gz MVSBXNFIMCTZNF-MRXNPFEDSA-N 1 1 293.411 0.223 20 10 CCCDMO Cc1c(O)ccc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3C)c1O ZINC001140744852 799937706 /nfs/dbraw/zinc/93/77/06/799937706.db2.gz NHSOMVIBJDRWBR-OCCSQVGLSA-N 1 1 278.352 0.921 20 10 CCCDMO CN1CCOc2cc(C[N@@H+](C)C[C@H](O)CO)ccc21 ZINC001141141981 799984573 /nfs/dbraw/zinc/98/45/73/799984573.db2.gz BXFHQNBYHAYUOD-LBPRGKRZSA-N 1 1 266.341 0.300 20 10 CCCDMO CN1CCOc2cc(C[N@H+]3CC[C@@H](CO)[C@@H](O)C3)ccc21 ZINC001141140252 799985118 /nfs/dbraw/zinc/98/51/18/799985118.db2.gz JUPVAASVYKMGSH-ZFWWWQNUSA-N 1 1 292.379 0.690 20 10 CCCDMO C[C@]1(CO)C[N@@H+](Cc2cc(O)ccc2O)CC[C@H]1O ZINC001141155897 799985610 /nfs/dbraw/zinc/98/56/10/799985610.db2.gz AFOIXXRTTRKKDF-ZIAGYGMSSA-N 1 1 267.325 0.663 20 10 CCCDMO OC[C@H]1C[N@H+](Cc2cc(F)c(F)cc2O)CC[C@H]1O ZINC001142508657 800126169 /nfs/dbraw/zinc/12/61/69/800126169.db2.gz GWBGDWAYISNMHB-BXKDBHETSA-N 1 1 273.279 0.846 20 10 CCCDMO OC[C@H]1C[N@@H+](Cc2cc(F)c(F)cc2O)CC[C@H]1O ZINC001142508657 800126173 /nfs/dbraw/zinc/12/61/73/800126173.db2.gz GWBGDWAYISNMHB-BXKDBHETSA-N 1 1 273.279 0.846 20 10 CCCDMO C[NH+](C)CCN1CCN(Cc2ccc(O)cc2O)CC1 ZINC001204272604 803074632 /nfs/dbraw/zinc/07/46/32/803074632.db2.gz RFGLHURWQSATNZ-UHFFFAOYSA-N 1 1 279.384 0.777 20 10 CCCDMO OC[C@@H]1C[N@@H+](Cc2ccc(O)cc2O)CC[C@H]1O ZINC001204276542 803076919 /nfs/dbraw/zinc/07/69/19/803076919.db2.gz MONTUNJQUBIOSA-CMPLNLGQSA-N 1 1 253.298 0.273 20 10 CCCDMO COC(=O)Cc1ccc(C[N@H+]2CCCNC(=O)C2)c(O)c1 ZINC001249171967 807546210 /nfs/dbraw/zinc/54/62/10/807546210.db2.gz HUTZSHRETATGOX-UHFFFAOYSA-N 1 1 292.335 0.430 20 10 CCCDMO C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(O)c(O)c1O ZINC001270067450 813610296 /nfs/dbraw/zinc/61/02/96/813610296.db2.gz JFYPYUOKAROATC-UWVGGRQHSA-N 1 1 278.308 0.722 20 10 CCCDMO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000697268571 814757956 /nfs/dbraw/zinc/75/79/56/814757956.db2.gz AHIXRVPXHAAKDE-UONOGXRCSA-N 1 1 298.408 0.654 20 10 CCCDMO [O-]c1c(CN2CC[NH2+]C[C@]23CC[NH2+]C3)ccc(F)c1F ZINC001234987886 816789244 /nfs/dbraw/zinc/78/92/44/816789244.db2.gz HPVCZZPQGHLZFV-CQSZACIVSA-N 1 1 283.322 0.808 20 10 CCCDMO COc1ccc(C[NH+]2CC3(C2)COCC(=O)N3C)c(O)c1 ZINC001272625297 816870112 /nfs/dbraw/zinc/87/01/12/816870112.db2.gz JYXRKQJNZMVFPW-UHFFFAOYSA-N 1 1 292.335 0.444 20 10 CCCDMO C[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CC[N@@H+]1C ZINC001146525681 840319924 /nfs/dbraw/zinc/31/99/24/840319924.db2.gz FYGFDQWHOUDKFO-SNVBAGLBSA-N 1 1 264.325 0.803 20 10 CCCDMO C[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CC[N@H+]1C ZINC001146525681 840319937 /nfs/dbraw/zinc/31/99/37/840319937.db2.gz FYGFDQWHOUDKFO-SNVBAGLBSA-N 1 1 264.325 0.803 20 10 CCCDMO CN1CC[C@]2(CC[N@@H+](Cc3c(O)cc(O)cc3O)C2)C1=O ZINC001273671774 846231279 /nfs/dbraw/zinc/23/12/79/846231279.db2.gz QPANNVGQDIMFQI-OAHLLOKOSA-N 1 1 292.335 0.858 20 10 CCCDMO COc1cccc(C[N@H+]2C[C@@H]3COC[C@H](C2)N3C)c1O ZINC001275273601 848682762 /nfs/dbraw/zinc/68/27/62/848682762.db2.gz SGDQKJYMTJXIFG-BETUJISGSA-N 1 1 278.352 0.916 20 10 CCCDMO COc1ccc(O)c([C@H](C)[NH2+]Cc2nnnn2C)c1 ZINC000389392523 853994574 /nfs/dbraw/zinc/99/45/74/853994574.db2.gz WJJBNONPCNHMNF-QMMMGPOBSA-N 1 1 263.301 0.775 20 10 CCCDMO O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)c1cccc(O)c1O ZINC000394721265 854242539 /nfs/dbraw/zinc/24/25/39/854242539.db2.gz WNAMQIQFIKTLEO-LLVKDONJSA-N 1 1 291.351 0.218 20 10 CCCDMO CNC(=O)[C@@H]1CC[N@@H+](Cc2cc(OC)ccc2O)C1 ZINC000398472111 854482179 /nfs/dbraw/zinc/48/21/79/854482179.db2.gz QKDXZFACWVKQIR-SNVBAGLBSA-N 1 1 264.325 0.969 20 10 CCCDMO COCC[N@@H+](Cc1ccc(N)cc1)[C@@H](C)C(N)=O ZINC001120263233 857024087 /nfs/dbraw/zinc/02/40/87/857024087.db2.gz LZLDEJGUKTYWSH-JTQLQIEISA-N 1 1 251.330 0.591 20 10 CCCDMO COCC[N@@H+](C)CCCNC(=O)Cc1ccc(O)c(O)c1 ZINC001290851249 906152381 /nfs/dbraw/zinc/15/23/81/906152381.db2.gz DCZAHQMTQBGDAO-UHFFFAOYSA-N 1 1 296.367 0.725 20 10 CCCDMO CN(CC(N)=O)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001319933623 910357146 /nfs/dbraw/zinc/35/71/46/910357146.db2.gz MKGRKUARQMHFRE-UHFFFAOYSA-N 1 1 294.374 0.495 20 10 CCCDMO Nc1ccc(C[N@@H+]2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)cc1 ZINC001345160430 923816851 /nfs/dbraw/zinc/81/68/51/923816851.db2.gz VQXAMIFPDSNICU-TXEJJXNPSA-N 1 1 266.366 0.745 20 10 CCCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC2(CO)COC2)c1 ZINC000273477729 353112554 /nfs/dbraw/zinc/11/25/54/353112554.db2.gz LCNXCYHAYMUXTL-SNVBAGLBSA-N 1 1 295.335 0.838 20 10 CCCDMO COc1c(O)c(C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000367776646 357278526 /nfs/dbraw/zinc/27/85/26/357278526.db2.gz FRNJEZVDAFUSOU-URLYPYJESA-N 1 1 294.307 0.979 20 10 CCCDMO COc1c(O)c(C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000367776646 357278528 /nfs/dbraw/zinc/27/85/28/357278528.db2.gz FRNJEZVDAFUSOU-URLYPYJESA-N 1 1 294.307 0.979 20 10 CCCDMO C[C@@H](O)C[NH+]1CCN(Cc2ccccc2O)CC1 ZINC000188734397 388938889 /nfs/dbraw/zinc/93/88/89/388938889.db2.gz VTEIUMUQBOEALW-GFCCVEGCSA-N 1 1 250.342 0.891 20 10 CCCDMO COc1cccc(C[N@@H+]2CCO[C@@H](C(N)=O)C2)c1O ZINC000092735506 389031875 /nfs/dbraw/zinc/03/18/75/389031875.db2.gz TVALPIVFJXCQDX-LLVKDONJSA-N 1 1 266.297 0.087 20 10 CCCDMO COc1cccc(C[N@H+]2CCO[C@@H](C(N)=O)C2)c1O ZINC000092735506 389031880 /nfs/dbraw/zinc/03/18/80/389031880.db2.gz TVALPIVFJXCQDX-LLVKDONJSA-N 1 1 266.297 0.087 20 10 CCCDMO Cc1ccc(O)c(C[N@H+]2CCO[C@H](C(N)=O)C2)c1 ZINC000092735665 389032603 /nfs/dbraw/zinc/03/26/03/389032603.db2.gz DINNMIYKGMEKFY-LBPRGKRZSA-N 1 1 250.298 0.387 20 10 CCCDMO COc1ccc(N2CC[NH+](CCOCCO)CC2)cc1F ZINC000122080796 389150800 /nfs/dbraw/zinc/15/08/00/389150800.db2.gz IFMJYLSLMPCSOA-UHFFFAOYSA-N 1 1 298.358 0.965 20 10 CCCDMO COCC[N@@H+]1CCN(C(=O)Cc2ccc(N)cc2)C[C@H]1C ZINC000168017895 389448483 /nfs/dbraw/zinc/44/84/83/389448483.db2.gz XITKDJJJZTYYSE-CYBMUJFWSA-N 1 1 291.395 0.990 20 10 CCCDMO COCC[N@H+]1CCN(C(=O)Cc2ccc(N)cc2)C[C@H]1C ZINC000168017895 389448488 /nfs/dbraw/zinc/44/84/88/389448488.db2.gz XITKDJJJZTYYSE-CYBMUJFWSA-N 1 1 291.395 0.990 20 10 CCCDMO CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2O)CCO1 ZINC000182441675 389709309 /nfs/dbraw/zinc/70/93/09/389709309.db2.gz VVWPMPUCKXMTTG-GFCCVEGCSA-N 1 1 250.298 0.339 20 10 CCCDMO COc1ccc(O)c(C[N@H+](C)CC(=O)N2CCOCC2)c1 ZINC000179586940 389660566 /nfs/dbraw/zinc/66/05/66/389660566.db2.gz BJBAOWGCMADVII-UHFFFAOYSA-N 1 1 294.351 0.691 20 10 CCCDMO COc1ccc(O)c(C[N@@H+](C)CC(=O)N2CCOCC2)c1 ZINC000179586940 389660569 /nfs/dbraw/zinc/66/05/69/389660569.db2.gz BJBAOWGCMADVII-UHFFFAOYSA-N 1 1 294.351 0.691 20 10 CCCDMO C[C@@H]1C[N@H+](Cc2cc(F)ccc2O)C[C@H](C(N)=O)O1 ZINC000180276273 389668519 /nfs/dbraw/zinc/66/85/19/389668519.db2.gz PGFWDMJJEZRLGU-PRHODGIISA-N 1 1 268.288 0.606 20 10 CCCDMO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2O)C[C@H](C(N)=O)O1 ZINC000180276273 389668522 /nfs/dbraw/zinc/66/85/22/389668522.db2.gz PGFWDMJJEZRLGU-PRHODGIISA-N 1 1 268.288 0.606 20 10 CCCDMO O=C1CO[C@@H]2CC[N@H+](Cc3cc(F)ccc3O)C[C@H]2N1 ZINC000377223618 268057665 /nfs/dbraw/zinc/05/76/65/268057665.db2.gz KVICDBPLIGNOML-DGCLKSJQSA-N 1 1 280.299 0.621 20 10 CCCDMO COCC[N@H+]1CCCN(C(=O)c2cccc(O)c2O)CC1 ZINC000279287287 523822608 /nfs/dbraw/zinc/82/26/08/523822608.db2.gz LYVPRYSPNIZFKN-UHFFFAOYSA-N 1 1 294.351 0.892 20 10 CCCDMO COc1cccc(CNC(=O)[C@H]2C[N@H+](C)CCO2)c1O ZINC000085519188 526000353 /nfs/dbraw/zinc/00/03/53/526000353.db2.gz VGPJCWROHNLXQO-GFCCVEGCSA-N 1 1 280.324 0.348 20 10 CCCDMO COc1cccc(CNC(=O)[C@H]2C[N@@H+](C)CCO2)c1O ZINC000085519188 526000366 /nfs/dbraw/zinc/00/03/66/526000366.db2.gz VGPJCWROHNLXQO-GFCCVEGCSA-N 1 1 280.324 0.348 20 10 CCCDMO CC[N@H+](CC(N)=O)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000789594727 581152154 /nfs/dbraw/zinc/15/21/54/581152154.db2.gz DESBSZLNSJGYCL-UHFFFAOYSA-N 1 1 295.358 0.970 20 10 CCCDMO CC[N@@H+](CC(N)=O)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000789594727 581152156 /nfs/dbraw/zinc/15/21/56/581152156.db2.gz DESBSZLNSJGYCL-UHFFFAOYSA-N 1 1 295.358 0.970 20 10 CCCDMO Cc1cc(O)c(C[NH+]2CCN(C(=O)CO)CC2)cc1C ZINC000793595740 581304101 /nfs/dbraw/zinc/30/41/01/581304101.db2.gz WFTWJFVMPLGYMG-UHFFFAOYSA-N 1 1 278.352 0.646 20 10 CCCDMO Oc1cccc(Cl)c1C[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000769562713 581695550 /nfs/dbraw/zinc/69/55/50/581695550.db2.gz DMHPFGIDQIJUEI-DTORHVGOSA-N 1 1 257.717 0.973 20 10 CCCDMO CN1CCN(c2ccc(C[NH2+]CCC(N)=O)cc2)CC1 ZINC000757888414 581712989 /nfs/dbraw/zinc/71/29/89/581712989.db2.gz IJWIINOKXRZJIW-UHFFFAOYSA-N 1 1 276.384 0.403 20 10 CCCDMO CCNC(=O)C[N@H+](C)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768441291 582106696 /nfs/dbraw/zinc/10/66/96/582106696.db2.gz YDWUXEPKWVGFQY-GFCCVEGCSA-N 1 1 280.324 0.386 20 10 CCCDMO CCNC(=O)C[N@@H+](C)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768441291 582106697 /nfs/dbraw/zinc/10/66/97/582106697.db2.gz YDWUXEPKWVGFQY-GFCCVEGCSA-N 1 1 280.324 0.386 20 10 CCCDMO COc1cc(O)c(C[N@H+]2C[C@@H](O)C[C@@]2(C)CO)cc1OC ZINC000895329363 617207870 /nfs/dbraw/zinc/20/78/70/617207870.db2.gz JIFYGFQBAWZRQH-NHYWBVRUSA-N 1 1 297.351 0.727 20 10 CCCDMO COc1ccc(N(C)CC[N@@H+](C)C[C@H](O)CO)cc1 ZINC000930850692 617267097 /nfs/dbraw/zinc/26/70/97/617267097.db2.gz YHEICEYQWWDGHE-ZDUSSCGKSA-N 1 1 268.357 0.416 20 10 CCCDMO CCOc1ccc(C[N@@H+]2CCO[C@@H](CC(N)=O)C2)c(O)c1 ZINC000862535650 615510495 /nfs/dbraw/zinc/51/04/95/615510495.db2.gz UWZMZWFHQBOAFV-ZDUSSCGKSA-N 1 1 294.351 0.867 20 10 CCCDMO CCOc1ccc(C[N@H+]2CCO[C@@H](CC(N)=O)C2)c(O)c1 ZINC000862535650 615510496 /nfs/dbraw/zinc/51/04/96/615510496.db2.gz UWZMZWFHQBOAFV-ZDUSSCGKSA-N 1 1 294.351 0.867 20 10 CCCDMO C[N@@H+](CCC(=O)N1CC[NH2+]CC1)Cc1ccccc1O ZINC000843357210 616068324 /nfs/dbraw/zinc/06/83/24/616068324.db2.gz CGRNULYJCJOTPI-UHFFFAOYSA-N 1 1 277.368 0.646 20 10 CCCDMO C[N@H+](CCC(=O)N1CCNCC1)Cc1ccccc1O ZINC000843357210 616068325 /nfs/dbraw/zinc/06/83/25/616068325.db2.gz CGRNULYJCJOTPI-UHFFFAOYSA-N 1 1 277.368 0.646 20 10 CCCDMO C[N@@H+](CCC(=O)N1CCNCC1)Cc1ccccc1O ZINC000843357210 616068326 /nfs/dbraw/zinc/06/83/26/616068326.db2.gz CGRNULYJCJOTPI-UHFFFAOYSA-N 1 1 277.368 0.646 20 10 CCCDMO CN(Cc1ccc(N2CCOCC2)cc1)C[C@@H](O)C[NH3+] ZINC000923366317 616167290 /nfs/dbraw/zinc/16/72/90/616167290.db2.gz LCKXNIRDJHJVGX-HNNXBMFYSA-N 1 1 279.384 0.275 20 10 CCCDMO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](Cc2cc(OC)ccc2O)C1 ZINC000843434723 616423414 /nfs/dbraw/zinc/42/34/14/616423414.db2.gz MUEPYKNPTJPSFD-VXGBXAGGSA-N 1 1 295.335 0.757 20 10 CCCDMO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](Cc2cccc(OC)c2O)C1 ZINC000843435523 616477674 /nfs/dbraw/zinc/47/76/74/616477674.db2.gz VNXBUSYBTWVGHF-NEPJUHHUSA-N 1 1 295.335 0.757 20 10 CCCDMO COCC[N@@H+](C)CCNC(=O)c1cccc(O)c1O ZINC000126390797 616961967 /nfs/dbraw/zinc/96/19/67/616961967.db2.gz XNYHUEGGFYRBIX-UHFFFAOYSA-N 1 1 268.313 0.406 20 10 CCCDMO COc1ccc(O)c(CN2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000314011066 630796039 /nfs/dbraw/zinc/79/60/39/630796039.db2.gz FLWZJJNSJFKBDR-CQSZACIVSA-N 1 1 291.395 0.880 20 10 CCCDMO Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]2C)c(O)c1O ZINC000928555319 631984172 /nfs/dbraw/zinc/98/41/72/631984172.db2.gz NBKZPYFNFQDQIX-VIFPVBQESA-N 1 1 250.298 0.840 20 10 CCCDMO Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2C)c(O)c1O ZINC000928555319 631984180 /nfs/dbraw/zinc/98/41/80/631984180.db2.gz NBKZPYFNFQDQIX-VIFPVBQESA-N 1 1 250.298 0.840 20 10 CCCDMO CS(=O)(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000179557456 638234147 /nfs/dbraw/zinc/23/41/47/638234147.db2.gz KBXMHXGJBCUPGE-GFCCVEGCSA-N 1 1 284.381 0.906 20 10 CCCDMO Cc1cc(O)c(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)cc1Cl ZINC000824832056 641847964 /nfs/dbraw/zinc/84/79/64/641847964.db2.gz XXYZGOZEDZLIDU-TXEJJXNPSA-N 1 1 257.717 0.891 20 10 CCCDMO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)c1cccc(O)c1O ZINC000841456071 642817531 /nfs/dbraw/zinc/81/75/31/642817531.db2.gz CSRXYTCHRQHRKS-GHMZBOCLSA-N 1 1 294.351 0.625 20 10 CCCDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)c1cccc(O)c1O ZINC000841456071 642817537 /nfs/dbraw/zinc/81/75/37/642817537.db2.gz 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Cc1c(O)ccc(C[N@@H+]2C[C@@H]3OCCN(C)[C@H]3C2)c1O ZINC001276113025 848930954 /nfs/dbraw/zinc/93/09/54/848930954.db2.gz NHSOMVIBJDRWBR-JSGCOSHPSA-N 1 1 278.352 0.921 20 10 CCCDMO CN(C)c1ccc(C[NH+]2CC3(C2)COCC(=O)N3C)cc1 ZINC001272917324 898164464 /nfs/dbraw/zinc/16/44/64/898164464.db2.gz SJOSBTVNVLMGIM-UHFFFAOYSA-N 1 1 289.379 0.796 20 10 CCCDMO C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3[C@H]4C[NH2+]C[C@H]43)cc2)CC1 ZINC001327431093 914539398 /nfs/dbraw/zinc/53/93/98/914539398.db2.gz MCLBHNKIFLNBPI-FVQHAEBGSA-N 1 1 286.423 0.746 20 10 CCCDMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N(C)Cc1ccccc1O ZINC001349310905 924928808 /nfs/dbraw/zinc/92/88/08/924928808.db2.gz MTNZWCURCIIQOG-TZMCWYRMSA-N 1 1 289.379 0.739 20 10 CCCDMO CCOc1ccc(O)c(C[N@H+]2C[C@@H](O)C[C@H]2CO)c1 ZINC000187666349 351550230 /nfs/dbraw/zinc/55/02/30/351550230.db2.gz HXWBQISJETXQHG-RYUDHWBXSA-N 1 1 267.325 0.718 20 10 CCCDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1cccc(O)c1O ZINC000228513116 352075654 /nfs/dbraw/zinc/07/56/54/352075654.db2.gz AHBDXIAKYRCJLU-JTQLQIEISA-N 1 1 279.340 0.073 20 10 CCCDMO O=C(/C=C/c1ccc(O)c(O)c1)N1CC[NH+](CCO)CC1 ZINC000272429491 353063198 /nfs/dbraw/zinc/06/31/98/353063198.db2.gz LCZRCCLVIRALRX-DUXPYHPUSA-N 1 1 292.335 0.248 20 10 CCCDMO NC(=O)N[C@H]1CC[N@H+](Cc2cccc(F)c2O)C1 ZINC000272506143 353069675 /nfs/dbraw/zinc/06/96/75/353069675.db2.gz WJLUZIZWCTVYBW-VIFPVBQESA-N 1 1 253.277 0.774 20 10 CCCDMO NC(=O)N[C@H]1CC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000272506143 353069677 /nfs/dbraw/zinc/06/96/77/353069677.db2.gz WJLUZIZWCTVYBW-VIFPVBQESA-N 1 1 253.277 0.774 20 10 CCCDMO CN(C)c1ccc(C[N@@H+]2CCO[C@H](C(N)=O)C2)cc1 ZINC000092734749 389030278 /nfs/dbraw/zinc/03/02/78/389030278.db2.gz VCGFRJSMYGZSRQ-ZDUSSCGKSA-N 1 1 263.341 0.439 20 10 CCCDMO CN(C)c1ccc(C[N@H+]2CCO[C@H](C(N)=O)C2)cc1 ZINC000092734749 389030280 /nfs/dbraw/zinc/03/02/80/389030280.db2.gz VCGFRJSMYGZSRQ-ZDUSSCGKSA-N 1 1 263.341 0.439 20 10 CCCDMO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)C[C@H](C(N)=O)O1 ZINC000268476348 389379597 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CNC(=O)[C@H](C)[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000291887308 524100300 /nfs/dbraw/zinc/10/03/00/524100300.db2.gz KFAUCXKTQLYLJW-IUCAKERBSA-N 1 1 280.324 0.964 20 10 CCCDMO COc1cc(O)c(C[N@H+]2C[C@H](CO)O[C@@H](C)C2)cc1OC ZINC000787417062 581469993 /nfs/dbraw/zinc/46/99/93/581469993.db2.gz IMGSHCSREBMWSX-CMPLNLGQSA-N 1 1 297.351 0.991 20 10 CCCDMO COc1cc(O)c(C[N@@H+]2C[C@H](CO)O[C@@H](C)C2)cc1OC ZINC000787417062 581469994 /nfs/dbraw/zinc/46/99/94/581469994.db2.gz IMGSHCSREBMWSX-CMPLNLGQSA-N 1 1 297.351 0.991 20 10 CCCDMO NS(=O)(=O)[C@@H]1CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000785984470 581597485 /nfs/dbraw/zinc/59/74/85/581597485.db2.gz FPMYZIKLTGRPND-MRVPVSSYSA-N 1 1 290.772 0.908 20 10 CCCDMO NS(=O)(=O)[C@@H]1CC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000785984470 581597487 /nfs/dbraw/zinc/59/74/87/581597487.db2.gz FPMYZIKLTGRPND-MRVPVSSYSA-N 1 1 290.772 0.908 20 10 CCCDMO COc1cccc(CNC(=O)[C@H]2CC[N@@H+](C)C2)c1O ZINC000729858931 581616756 /nfs/dbraw/zinc/61/67/56/581616756.db2.gz GWNAIRUFZODFGR-NSHDSACASA-N 1 1 264.325 0.969 20 10 CCCDMO COc1cccc(CNC(=O)CC[NH+]2CCOCC2)c1O ZINC000729858887 581616807 /nfs/dbraw/zinc/61/68/07/581616807.db2.gz FKYAIIYOTLRTJC-UHFFFAOYSA-N 1 1 294.351 0.739 20 10 CCCDMO OC[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)CCO1 ZINC000769399191 581687239 /nfs/dbraw/zinc/68/72/39/581687239.db2.gz XRSZCALLJIBGJO-MRXNPFEDSA-N 1 1 292.379 0.716 20 10 CCCDMO OC[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)CCO1 ZINC000769399191 581687242 /nfs/dbraw/zinc/68/72/42/581687242.db2.gz XRSZCALLJIBGJO-MRXNPFEDSA-N 1 1 292.379 0.716 20 10 CCCDMO COc1cc(C)cc(C[N@H+]2CC[C@H](NC(N)=O)C2)c1O ZINC000894092908 617175507 /nfs/dbraw/zinc/17/55/07/617175507.db2.gz AAXJZHPUEVWGQW-NSHDSACASA-N 1 1 279.340 0.952 20 10 CCCDMO COc1ccc(C[N@H+]2C[C@@H](O)C[C@@]2(C)CO)c(O)c1OC ZINC000895433471 617251697 /nfs/dbraw/zinc/25/16/97/617251697.db2.gz NDVKNVXINWFQKH-NHYWBVRUSA-N 1 1 297.351 0.727 20 10 CCCDMO COc1ccc(O)c(C[N@@H+]2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)c1 ZINC000897619387 617272793 /nfs/dbraw/zinc/27/27/93/617272793.db2.gz VNLRYFWLCMKOTF-TXEJJXNPSA-N 1 1 297.376 0.877 20 10 CCCDMO COc1ccc(O)c(C[N@H+]2CCC[C@](O)(CO)C2)c1 ZINC000839153293 617272940 /nfs/dbraw/zinc/27/29/40/617272940.db2.gz FAESCQJETOMURK-CQSZACIVSA-N 1 1 267.325 0.720 20 10 CCCDMO COc1cccc(C[N@H+]2CCN(C)C[C@H]2CO)c1O ZINC000877644326 617297188 /nfs/dbraw/zinc/29/71/88/617297188.db2.gz NHAGAZGVFFDFLB-LBPRGKRZSA-N 1 1 266.341 0.509 20 10 CCCDMO COc1cccc(CN2CC[N@H+](C)C[C@H]2CO)c1O ZINC000877644326 617297189 /nfs/dbraw/zinc/29/71/89/617297189.db2.gz NHAGAZGVFFDFLB-LBPRGKRZSA-N 1 1 266.341 0.509 20 10 CCCDMO COc1cccc(CN2CC[N@@H+](C)C[C@H]2CO)c1O ZINC000877644326 617297191 /nfs/dbraw/zinc/29/71/91/617297191.db2.gz NHAGAZGVFFDFLB-LBPRGKRZSA-N 1 1 266.341 0.509 20 10 CCCDMO CC(=O)NCC[N@H+](C)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000842635747 613735801 /nfs/dbraw/zinc/73/58/01/613735801.db2.gz QQOXIMKEIZEWGK-ZDUSSCGKSA-N 1 1 280.324 0.386 20 10 CCCDMO CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(N)cc2)[C@H](C)C1 ZINC000841126249 615148649 /nfs/dbraw/zinc/14/86/49/615148649.db2.gz CSGLCYPCKZJIFN-LLVKDONJSA-N 1 1 290.367 0.760 20 10 CCCDMO CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(N)cc2)[C@H](C)C1 ZINC000841126249 615148650 /nfs/dbraw/zinc/14/86/50/615148650.db2.gz CSGLCYPCKZJIFN-LLVKDONJSA-N 1 1 290.367 0.760 20 10 CCCDMO C[N@@H+](CCS(N)(=O)=O)Cc1cc2c(cc1O)CCCC2 ZINC000872820707 616121711 /nfs/dbraw/zinc/12/17/11/616121711.db2.gz CSLXMJZZUPUJBY-UHFFFAOYSA-N 1 1 298.408 0.991 20 10 CCCDMO CN1CCN(C(=O)c2cccc(O)c2O)CC[N@@H+](C)CC1 ZINC000888986378 616236137 /nfs/dbraw/zinc/23/61/37/616236137.db2.gz DQUMKICQFUFDOB-UHFFFAOYSA-N 1 1 293.367 0.417 20 10 CCCDMO CN1CCN(c2ccc(C[NH2+]C[C@H]3COCO3)cc2)CC1 ZINC000894875684 616247056 /nfs/dbraw/zinc/24/70/56/616247056.db2.gz IEOLYTDUUXIJQU-INIZCTEOSA-N 1 1 291.395 0.901 20 10 CCCDMO Cc1cccc(C[N@@H+]2CCC[C@](N)(CO)C2)c1O ZINC000904402780 634742162 /nfs/dbraw/zinc/74/21/62/634742162.db2.gz SFXBLZHYXWHGRP-CQSZACIVSA-N 1 1 250.342 0.986 20 10 CCCDMO Cc1cccc(C[N@H+]2CCC[C@](N)(CO)C2)c1O ZINC000904402780 634742167 /nfs/dbraw/zinc/74/21/67/634742167.db2.gz SFXBLZHYXWHGRP-CQSZACIVSA-N 1 1 250.342 0.986 20 10 CCCDMO COc1cccc(C[N@@H+]2C[C@H](C)O[C@H](CO)C2)c1O ZINC000249299319 631540082 /nfs/dbraw/zinc/54/00/82/631540082.db2.gz NIPFDNOYDKTHGZ-JQWIXIFHSA-N 1 1 267.325 0.982 20 10 CCCDMO COc1cccc(C[N@H+]2C[C@H](C)O[C@H](CO)C2)c1O ZINC000249299319 631540088 /nfs/dbraw/zinc/54/00/88/631540088.db2.gz NIPFDNOYDKTHGZ-JQWIXIFHSA-N 1 1 267.325 0.982 20 10 CCCDMO O=C(CC[NH+]1CCOCC1)NCc1ccc(O)cc1O ZINC000910955193 635859161 /nfs/dbraw/zinc/85/91/61/635859161.db2.gz OMUXLGVXDIDQTM-UHFFFAOYSA-N 1 1 280.324 0.436 20 10 CCCDMO C[C@@H]1[C@H](O)CC[N@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839617328 640346213 /nfs/dbraw/zinc/34/62/13/640346213.db2.gz ICWODRRBOLIUST-IUODEOHRSA-N 1 1 291.395 0.824 20 10 CCCDMO Oc1cc(Br)ccc1C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000862445975 645000402 /nfs/dbraw/zinc/00/04/02/645000402.db2.gz KTMULSMFPIXDCR-QWRGUYRKSA-N 1 1 288.141 0.692 20 10 CCCDMO Cc1cccc(O)c1C[N@H+]1CCO[C@H](C(N)=O)C1 ZINC000876657759 646639236 /nfs/dbraw/zinc/63/92/36/646639236.db2.gz JQPZERPRTCEIQG-LBPRGKRZSA-N 1 1 250.298 0.387 20 10 CCCDMO CN1C(=O)CC[C@@H]([NH2+]Cc2cccc(F)c2O)C1=O ZINC000158803559 649310689 /nfs/dbraw/zinc/31/06/89/649310689.db2.gz KGVVMPYSNBMMLD-SNVBAGLBSA-N 1 1 266.272 0.768 20 10 CCCDMO COc1cc(O)c(C[N@H+]2C[C@H]3C[C@@]3(C(N)=O)C2)c(OC)c1 ZINC001277589242 805869293 /nfs/dbraw/zinc/86/92/93/805869293.db2.gz YAOUSJHIXVGYLB-RFAUZJTJSA-N 1 1 292.335 0.717 20 10 CCCDMO COC(=O)CO[C@H]1CC[N@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233016312 806008119 /nfs/dbraw/zinc/00/81/19/806008119.db2.gz SQJUTWXQTSVWNV-JTQLQIEISA-N 1 1 297.307 0.567 20 10 CCCDMO COC(=O)CO[C@H]1CC[N@@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233016312 806008127 /nfs/dbraw/zinc/00/81/27/806008127.db2.gz SQJUTWXQTSVWNV-JTQLQIEISA-N 1 1 297.307 0.567 20 10 CCCDMO CCOc1cccc(C[NH+]2CCN(C(N)=O)CC2)c1O ZINC000722181644 806348788 /nfs/dbraw/zinc/34/87/88/806348788.db2.gz PLQXPJLKWGTDFO-UHFFFAOYSA-N 1 1 279.340 0.987 20 10 CCCDMO [NH3+]CCN(CC[NH3+])Cc1cc(F)c(Cl)cc1[O-] ZINC001235881512 806513419 /nfs/dbraw/zinc/51/34/19/806513419.db2.gz ZOUWUBPDDZOKIV-UHFFFAOYSA-N 1 1 261.728 0.904 20 10 CCCDMO COC(=O)[C@H]1C[N@H+](Cc2ccc(O)c(C)c2O)C[C@H]1N ZINC001236351331 806582950 /nfs/dbraw/zinc/58/29/50/806582950.db2.gz UJPFNTZNGAGCJP-WDEREUQCSA-N 1 1 280.324 0.338 20 10 CCCDMO COC(=O)[C@H]1C[N@@H+](Cc2ccc(O)c(C)c2O)C[C@H]1N ZINC001236351331 806582956 /nfs/dbraw/zinc/58/29/56/806582956.db2.gz UJPFNTZNGAGCJP-WDEREUQCSA-N 1 1 280.324 0.338 20 10 CCCDMO C[N@H+]1CC[C@@](O)(CNC(=O)NCc2ccc(N)cc2)C1 ZINC001120677438 798912434 /nfs/dbraw/zinc/91/24/34/798912434.db2.gz QLPFFECHZBVOTM-CQSZACIVSA-N 1 1 278.356 0.135 20 10 CCCDMO Cc1ccc(O)c(CNC(=O)[C@H]2C[N@@H+]3CCN2C[C@H]3C)c1 ZINC001123939174 799510689 /nfs/dbraw/zinc/51/06/89/799510689.db2.gz IRNBXFDPQJQCCN-TZMCWYRMSA-N 1 1 289.379 0.705 20 10 CCCDMO CN1CCN(c2ccc(C[N@H+](C)C[C@H](O)CO)cc2)CC1 ZINC001139407830 799809497 /nfs/dbraw/zinc/80/94/97/799809497.db2.gz MVSBXNFIMCTZNF-INIZCTEOSA-N 1 1 293.411 0.223 20 10 CCCDMO CN1CCN(c2ccc(C[N@@H+](C)C[C@H](O)CO)cc2)CC1 ZINC001139407830 799809507 /nfs/dbraw/zinc/80/95/07/799809507.db2.gz MVSBXNFIMCTZNF-INIZCTEOSA-N 1 1 293.411 0.223 20 10 CCCDMO COC(=O)[C@H]1C[N@H+](C)CCN1Cc1ccccc1O ZINC001203561797 803034883 /nfs/dbraw/zinc/03/48/83/803034883.db2.gz ZSNLEGGXRWCVSN-GFCCVEGCSA-N 1 1 264.325 0.681 20 10 CCCDMO COC(=O)[C@H]1C[N@@H+](C)CCN1Cc1ccccc1O ZINC001203561797 803034890 /nfs/dbraw/zinc/03/48/90/803034890.db2.gz ZSNLEGGXRWCVSN-GFCCVEGCSA-N 1 1 264.325 0.681 20 10 CCCDMO COc1cccc(C[N@H+]2CC[C@H](O)[C@@](C)(CO)C2)c1O ZINC001203589046 803036310 /nfs/dbraw/zinc/03/63/10/803036310.db2.gz BXJMKOBQSVIALC-DZGCQCFKSA-N 1 1 281.352 0.966 20 10 CCCDMO COc1ccc(C[NH+]2CC3(C2)CS(=O)C3)c(O)c1 ZINC001203620443 803036647 /nfs/dbraw/zinc/03/66/47/803036647.db2.gz FRLSVDMKVMPIPU-UHFFFAOYSA-N 1 1 267.350 0.965 20 10 CCCDMO COC(=O)[C@@]12COC[C@@H]1C[N@@H+](Cc1ccc(O)cc1O)C2 ZINC001204275839 803074506 /nfs/dbraw/zinc/07/45/06/803074506.db2.gz CSQHMLNOBDRBNS-NHYWBVRUSA-N 1 1 293.319 0.719 20 10 CCCDMO CO[C@@H]1C[N@@H+](Cc2ccc(O)cc2O)C[C@@H]1OC ZINC001204271645 803075565 /nfs/dbraw/zinc/07/55/65/803075565.db2.gz AYFJRBRTXNIDLP-BETUJISGSA-N 1 1 253.298 0.943 20 10 CCCDMO Cc1ccc(C)c(C[N@@H+]2CC[C@@H](O)[C@H](N)C2)c1O ZINC001206092464 803205988 /nfs/dbraw/zinc/20/59/88/803205988.db2.gz HVSSZLMTPGHAGC-CHWSQXEVSA-N 1 1 250.342 0.903 20 10 CCCDMO Cc1ccc(C)c(C[N@H+]2CC[C@@H](O)[C@H](N)C2)c1O ZINC001206092464 803205993 /nfs/dbraw/zinc/20/59/93/803205993.db2.gz HVSSZLMTPGHAGC-CHWSQXEVSA-N 1 1 250.342 0.903 20 10 CCCDMO Cc1cc(C)c(CNC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H](N)C3)c(O)c1 ZINC001220825449 804674760 /nfs/dbraw/zinc/67/47/60/804674760.db2.gz IAPADHHHIFVENZ-IOASZLSFSA-N 1 1 289.379 0.847 20 10 CCCDMO Cc1cc(C)c(CNC(=O)[C@@H]2COC[NH2+]2)c(O)c1 ZINC001220825952 804676080 /nfs/dbraw/zinc/67/60/80/804676080.db2.gz VHHZEGKXQSWNHY-NSHDSACASA-N 1 1 250.298 0.571 20 10 CCCDMO COC(=O)Cc1ccc(C[NH+]2CCN(C#N)CC2)c(O)c1 ZINC001249224346 807547748 /nfs/dbraw/zinc/54/77/48/807547748.db2.gz XVUZKCDDJUOSRK-UHFFFAOYSA-N 1 1 289.335 0.706 20 10 CCCDMO C[N@H+]1CCC2(CN(C(=O)Cc3ccc(O)c(O)c3)C2)C1 ZINC001270575371 813819670 /nfs/dbraw/zinc/81/96/70/813819670.db2.gz LDXRDOZCSLCKNQ-UHFFFAOYSA-N 1 1 276.336 0.804 20 10 CCCDMO COC(=O)[C@H]1C[N@@H+](Cc2c(C)ccc(C)c2O)C[C@@H]1N ZINC001236348887 817279509 /nfs/dbraw/zinc/27/95/09/817279509.db2.gz NHYJRJODWYNVTA-STQMWFEESA-N 1 1 278.352 0.941 20 10 CCCDMO COC(=O)[C@H]1CN(Cc2c(C)ccc(C)c2O)C[C@@H]1[NH3+] ZINC001236348887 817279514 /nfs/dbraw/zinc/27/95/14/817279514.db2.gz NHYJRJODWYNVTA-STQMWFEESA-N 1 1 278.352 0.941 20 10 CCCDMO CN1CC[N@@H+](C)C[C@@H]1C(=O)NCc1ccccc1O ZINC001185262553 844386014 /nfs/dbraw/zinc/38/60/14/844386014.db2.gz NUTXWXVCIZUWNG-GFCCVEGCSA-N 1 1 263.341 0.254 20 10 CCCDMO CCOC(=O)C[N@H+](C)Cc1c(O)cc(O)cc1O ZINC001144503798 840068323 /nfs/dbraw/zinc/06/83/23/840068323.db2.gz DEWWHERPSUMLMQ-UHFFFAOYSA-N 1 1 255.270 0.798 20 10 CCCDMO CCOC(=O)C[N@@H+](C)Cc1c(O)cc(O)cc1O ZINC001144503798 840068329 /nfs/dbraw/zinc/06/83/29/840068329.db2.gz DEWWHERPSUMLMQ-UHFFFAOYSA-N 1 1 255.270 0.798 20 10 CCCDMO CN1CCC[N@@H+](Cc2c(O)cc(O)cc2O)CC1=O ZINC001144508855 840071968 /nfs/dbraw/zinc/07/19/68/840071968.db2.gz AXRZWFDERHWNLD-UHFFFAOYSA-N 1 1 266.297 0.468 20 10 CCCDMO C[N@H+]1CC[C@H](C(=O)NCc2c(O)cccc2O)C1 ZINC001178912918 842938523 /nfs/dbraw/zinc/93/85/23/842938523.db2.gz ZENXWJXPYKEERV-VIFPVBQESA-N 1 1 250.298 0.666 20 10 CCCDMO C[N@H+]1C[C@H]2CN(Cc3cc(O)ccc3O)C[C@@H](C1)O2 ZINC001275418686 848716443 /nfs/dbraw/zinc/71/64/43/848716443.db2.gz ILKLGLRUMBKZHS-BETUJISGSA-N 1 1 264.325 0.613 20 10 CCCDMO C[N@@H+]1C[C@H]2CN(Cc3cc(O)ccc3O)C[C@@H](C1)O2 ZINC001275418686 848716448 /nfs/dbraw/zinc/71/64/48/848716448.db2.gz ILKLGLRUMBKZHS-BETUJISGSA-N 1 1 264.325 0.613 20 10 CCCDMO NC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001331965580 917762725 /nfs/dbraw/zinc/76/27/25/917762725.db2.gz VROZIYWZEIAXQY-CABCVRRESA-N 1 1 289.379 0.707 20 10 CCCDMO NC(=O)[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001331965580 917762733 /nfs/dbraw/zinc/76/27/33/917762733.db2.gz VROZIYWZEIAXQY-CABCVRRESA-N 1 1 289.379 0.707 20 10 CCCDMO C[C@H]1Cn2nc(C(=O)NCCc3ccc(N)cc3)cc2C[NH2+]1 ZINC001356498461 926394703 /nfs/dbraw/zinc/39/47/03/926394703.db2.gz FWLHFHPLMHTIEP-NSHDSACASA-N 1 1 299.378 0.930 20 10 CCCDMO CCOc1ccc(O)c(CN2CC[NH+](CCO)CC2)c1 ZINC000269369560 352830989 /nfs/dbraw/zinc/83/09/89/352830989.db2.gz SFAALOZDUGBKOI-UHFFFAOYSA-N 1 1 280.368 0.901 20 10 CCCDMO COc1cccc(C[N@H+]2CC[C@H](NC(N)=O)C2)c1O ZINC000271377799 353033213 /nfs/dbraw/zinc/03/32/13/353033213.db2.gz REACTSOQCATGHX-JTQLQIEISA-N 1 1 265.313 0.643 20 10 CCCDMO COCC[N@H+]1CC[C@H](NC(=O)c2c(F)ccc(O)c2O)C1 ZINC000295382406 353893206 /nfs/dbraw/zinc/89/32/06/353893206.db2.gz XQXINCKDUUUZLK-VIFPVBQESA-N 1 1 298.314 0.687 20 10 CCCDMO CNS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000371464004 357370595 /nfs/dbraw/zinc/37/05/95/357370595.db2.gz NHACBQROPLTMTO-GFCCVEGCSA-N 1 1 284.381 0.906 20 10 CCCDMO CCOc1ccc(O)c(C[NH+]2CCN(CC(N)=O)CC2)c1 ZINC000179837056 389663418 /nfs/dbraw/zinc/66/34/18/389663418.db2.gz WJJWGHKCCQYLGE-UHFFFAOYSA-N 1 1 293.367 0.394 20 10 CCCDMO O=C1OC[C@@H]2C[N@H+](Cc3cc4c(cc3O)OCO4)CCN12 ZINC000371335419 267391760 /nfs/dbraw/zinc/39/17/60/267391760.db2.gz KGQCEJADYHFAGR-JTQLQIEISA-N 1 1 292.291 0.757 20 10 CCCDMO O=C1OC[C@@H]2C[N@@H+](Cc3cc4c(cc3O)OCO4)CCN12 ZINC000371335419 267391763 /nfs/dbraw/zinc/39/17/63/267391763.db2.gz KGQCEJADYHFAGR-JTQLQIEISA-N 1 1 292.291 0.757 20 10 CCCDMO COc1c(O)c(C[N@H+](C)CCC(N)=O)ccc1[N+](=O)[O-] ZINC000289629018 521866167 /nfs/dbraw/zinc/86/61/67/521866167.db2.gz LXHFJBJKVSOMAW-UHFFFAOYSA-N 1 1 283.284 0.616 20 10 CCCDMO COc1c(O)c(C[N@@H+](C)CCC(N)=O)ccc1[N+](=O)[O-] ZINC000289629018 521866175 /nfs/dbraw/zinc/86/61/75/521866175.db2.gz LXHFJBJKVSOMAW-UHFFFAOYSA-N 1 1 283.284 0.616 20 10 CCCDMO CN1CCCc2cc(CNC(=O)[C@@H]3COCC[NH2+]3)ccc21 ZINC000237128792 523861770 /nfs/dbraw/zinc/86/17/70/523861770.db2.gz RQWUINZPRHCJGX-AWEZNQCLSA-N 1 1 289.379 0.674 20 10 CCCDMO CN1CCCc2cc(CNC(=O)[C@H]3COCC[NH2+]3)ccc21 ZINC000237129144 523862050 /nfs/dbraw/zinc/86/20/50/523862050.db2.gz RQWUINZPRHCJGX-CQSZACIVSA-N 1 1 289.379 0.674 20 10 CCCDMO CNC(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000299317980 524079186 /nfs/dbraw/zinc/07/91/86/524079186.db2.gz BEUHQGZNMZHDLP-UHFFFAOYSA-N 1 1 292.383 0.746 20 10 CCCDMO NS(=O)(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000785984501 581425873 /nfs/dbraw/zinc/42/58/73/581425873.db2.gz HDGXSJMQTYBSHQ-SNVBAGLBSA-N 1 1 290.772 0.908 20 10 CCCDMO NS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000785984501 581425874 /nfs/dbraw/zinc/42/58/74/581425874.db2.gz HDGXSJMQTYBSHQ-SNVBAGLBSA-N 1 1 290.772 0.908 20 10 CCCDMO Oc1ccc(Cl)cc1C[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000769563048 581696645 /nfs/dbraw/zinc/69/66/45/581696645.db2.gz GDFQSKLWIDCBOT-PHIMTYICSA-N 1 1 257.717 0.973 20 10 CCCDMO COc1cc(C)cc(CN2CC([N@H+]3CC[C@@H](O)C3)C2)c1O ZINC000895142770 617175103 /nfs/dbraw/zinc/17/51/03/617175103.db2.gz VLSHPYHRWRCWNJ-CQSZACIVSA-N 1 1 292.379 0.960 20 10 CCCDMO COc1cc(C)cc(C[NH+]2CC(N3CC[C@@H](O)C3)C2)c1O ZINC000895142770 617175105 /nfs/dbraw/zinc/17/51/05/617175105.db2.gz VLSHPYHRWRCWNJ-CQSZACIVSA-N 1 1 292.379 0.960 20 10 CCCDMO COc1cccc(C[N@@H+]2CCO[C@H](CC(N)=O)C2)c1O ZINC000862535638 617297523 /nfs/dbraw/zinc/29/75/23/617297523.db2.gz URJGXQLSEOGMLH-LLVKDONJSA-N 1 1 280.324 0.477 20 10 CCCDMO COc1cccc(C[N@H+]2CCO[C@H](CC(N)=O)C2)c1O ZINC000862535638 617297524 /nfs/dbraw/zinc/29/75/24/617297524.db2.gz URJGXQLSEOGMLH-LLVKDONJSA-N 1 1 280.324 0.477 20 10 CCCDMO COc1cccc(C[N@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)c1O ZINC000877721185 617297734 /nfs/dbraw/zinc/29/77/34/617297734.db2.gz ZHGDMXSAQZXCER-PHIMTYICSA-N 1 1 290.319 0.447 20 10 CCCDMO COc1cccc(C[N@H+]2C[C@@H](O)[C@H](OC)C2)c1O ZINC000825016363 617297895 /nfs/dbraw/zinc/29/78/95/617297895.db2.gz BSSRFRHOWPOGFN-ZYHUDNBSSA-N 1 1 253.298 0.592 20 10 CCCDMO COc1cccc(O)c1C[N@@H+]1CCO[C@H]([C@@H](C)O)C1 ZINC000840978026 617305133 /nfs/dbraw/zinc/30/51/33/617305133.db2.gz OSWMRDYYZHMXQO-YGRLFVJLSA-N 1 1 267.325 0.982 20 10 CCCDMO COc1cccc(O)c1C[N@H+]1CCO[C@H]([C@@H](C)O)C1 ZINC000840978026 617305134 /nfs/dbraw/zinc/30/51/34/617305134.db2.gz OSWMRDYYZHMXQO-YGRLFVJLSA-N 1 1 267.325 0.982 20 10 CCCDMO CC(=O)C(=O)COC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000808550367 613658663 /nfs/dbraw/zinc/65/86/63/613658663.db2.gz JXGHJFBQQAOUHF-LLVKDONJSA-N 1 1 255.314 0.952 20 10 CCCDMO CC[N@H+](CC(=O)NC)Cc1cc2c(cc1O)OCO2 ZINC000132623627 614936351 /nfs/dbraw/zinc/93/63/51/614936351.db2.gz QFRULAISRVYWTL-UHFFFAOYSA-N 1 1 266.297 0.689 20 10 CCCDMO CC[N@@H+](CC(=O)NC)Cc1cc2c(cc1O)OCO2 ZINC000132623627 614936353 /nfs/dbraw/zinc/93/63/53/614936353.db2.gz QFRULAISRVYWTL-UHFFFAOYSA-N 1 1 266.297 0.689 20 10 CCCDMO CCOc1ccc(O)c(C[N@H+](C)CC(=O)NC)c1 ZINC000827867803 615511949 /nfs/dbraw/zinc/51/19/49/615511949.db2.gz PUSYFYSTBGATQN-UHFFFAOYSA-N 1 1 252.314 0.969 20 10 CCCDMO CCOc1ccc(O)c(C[N@@H+](C)CC(=O)NC)c1 ZINC000827867803 615511951 /nfs/dbraw/zinc/51/19/51/615511951.db2.gz PUSYFYSTBGATQN-UHFFFAOYSA-N 1 1 252.314 0.969 20 10 CCCDMO CCc1cccc(C[N@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)c1O ZINC000848916182 615682890 /nfs/dbraw/zinc/68/28/90/615682890.db2.gz QKVQQPJOUAHMOX-TXEJJXNPSA-N 1 1 274.320 0.659 20 10 CCCDMO CN(C)c1cc(F)c(C[N@@H+]2C[C@@H](O)C[C@H]2CO)cc1F ZINC000862332314 616006331 /nfs/dbraw/zinc/00/63/31/616006331.db2.gz SORMAXIGYPYMPM-QWRGUYRKSA-N 1 1 286.322 0.958 20 10 CCCDMO CN(C)c1cc(F)c(C[N@H+]2C[C@@H](O)C[C@H]2CO)cc1F ZINC000862332314 616006333 /nfs/dbraw/zinc/00/63/33/616006333.db2.gz SORMAXIGYPYMPM-QWRGUYRKSA-N 1 1 286.322 0.958 20 10 CCCDMO C[N@@H+](CCS(N)(=O)=O)Cc1c(O)ccc2ccncc21 ZINC000872822110 616121040 /nfs/dbraw/zinc/12/10/40/616121040.db2.gz UZOHYEFNPSJOIZ-UHFFFAOYSA-N 1 1 295.364 0.661 20 10 CCCDMO C[N@H+](Cc1cc2c(cc1O)OCO2)C[C@H]1COCCO1 ZINC000853558351 616165222 /nfs/dbraw/zinc/16/52/22/616165222.db2.gz HRLAQRYNWMBDMU-NSHDSACASA-N 1 1 281.308 0.968 20 10 CCCDMO C[N@@H+]1CCO[C@H](C(=O)NCc2cc(Cl)ccc2O)C1 ZINC000846477491 616259423 /nfs/dbraw/zinc/25/94/23/616259423.db2.gz ULPMWDJBLPZSPJ-LBPRGKRZSA-N 1 1 284.743 0.992 20 10 CCCDMO C[N@H+]1CCO[C@H](C(=O)NCc2cc(Cl)ccc2O)C1 ZINC000846477491 616259424 /nfs/dbraw/zinc/25/94/24/616259424.db2.gz ULPMWDJBLPZSPJ-LBPRGKRZSA-N 1 1 284.743 0.992 20 10 CCCDMO C[N@H+]1CC[C@H](C(=O)NCc2ccc(O)cc2O)C1 ZINC000910945971 616373624 /nfs/dbraw/zinc/37/36/24/616373624.db2.gz GMIVQTAOWYGCPP-JTQLQIEISA-N 1 1 250.298 0.666 20 10 CCCDMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1Cc2cccc(O)c2C1 ZINC000913726876 616472284 /nfs/dbraw/zinc/47/22/84/616472284.db2.gz YTPDSDULWHXXFI-ABAIWWIYSA-N 1 1 276.336 0.690 20 10 CCCDMO COC(=O)[C@H]1C[C@@H](O)C[N@@H+](Cc2cc(OC)ccc2O)C1 ZINC000843434719 616706900 /nfs/dbraw/zinc/70/69/00/616706900.db2.gz MUEPYKNPTJPSFD-NWDGAFQWSA-N 1 1 295.335 0.757 20 10 CCCDMO COC(=O)[C@]1(O)CC[N@@H+](Cc2cccc(OC)c2O)C1 ZINC000895706147 616787826 /nfs/dbraw/zinc/78/78/26/616787826.db2.gz DDTDMUVCBVOGJJ-AWEZNQCLSA-N 1 1 281.308 0.511 20 10 CCCDMO COc1ccc(N2CC[NH+](C[C@H](O)CO)CC2)c(OC)c1 ZINC000107512096 623120970 /nfs/dbraw/zinc/12/09/70/623120970.db2.gz VLDKYJLHBOEZKT-LBPRGKRZSA-N 1 1 296.367 0.179 20 10 CCCDMO COc1cc(C[N@@H+]2CCO[C@H](C(N)=O)C2)c(O)cc1C ZINC000160047915 631920425 /nfs/dbraw/zinc/92/04/25/631920425.db2.gz GXMKTQRYJYRMOE-ZDUSSCGKSA-N 1 1 280.324 0.395 20 10 CCCDMO COc1cc(C[N@H+]2CCO[C@H](C(N)=O)C2)c(O)cc1C ZINC000160047915 631920433 /nfs/dbraw/zinc/92/04/33/631920433.db2.gz GXMKTQRYJYRMOE-ZDUSSCGKSA-N 1 1 280.324 0.395 20 10 CCCDMO C[N@H+]1CC[C@H]1CNC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000928554647 631982782 /nfs/dbraw/zinc/98/27/82/631982782.db2.gz JJWJGDRFVSGOMR-MZBZXASESA-N 1 1 262.309 0.931 20 10 CCCDMO C[C@@H](C(=O)NCc1ccc(O)cc1O)N1CC[NH+](C)CC1 ZINC000910953495 635858193 /nfs/dbraw/zinc/85/81/93/635858193.db2.gz CELHQZCSCJIVQG-NSHDSACASA-N 1 1 293.367 0.350 20 10 CCCDMO Cc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N2CCNCC2)c1 ZINC000817945555 641281778 /nfs/dbraw/zinc/28/17/78/641281778.db2.gz GDCRQTURVPHZHP-GFCCVEGCSA-N 1 1 277.368 0.783 20 10 CCCDMO O=[S@@]1C[C@@H]2C[C@H]1C[N@H+]2Cc1cc2c(cc1O)OCO2 ZINC000844740923 643244148 /nfs/dbraw/zinc/24/41/48/643244148.db2.gz ILYBTBZISVTQBH-ZPEMSAPTSA-N 1 1 281.333 0.826 20 10 CCCDMO O=[S@@]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cc2c(cc1O)OCO2 ZINC000844740923 643244153 /nfs/dbraw/zinc/24/41/53/643244153.db2.gz ILYBTBZISVTQBH-ZPEMSAPTSA-N 1 1 281.333 0.826 20 10 CCCDMO Cc1ccc(O)c(CNC(=O)[C@H](C)N2CC[NH+](C)CC2)c1 ZINC000862759604 645034953 /nfs/dbraw/zinc/03/49/53/645034953.db2.gz HAGOFQRKICHPMP-ZDUSSCGKSA-N 1 1 291.395 0.953 20 10 CCCDMO C[C@H](C(=O)N1Cc2cccc(O)c2C1)N1CC[NH+](C)CC1 ZINC000871203091 646119578 /nfs/dbraw/zinc/11/95/78/646119578.db2.gz RXGUFGZRDRLDGB-GFCCVEGCSA-N 1 1 289.379 0.870 20 10 CCCDMO NC(=O)[C@@H]1C[N@H+](Cc2cc3c(cc2O)CCCC3)CCO1 ZINC000160047633 649331956 /nfs/dbraw/zinc/33/19/56/649331956.db2.gz RPNMDXJZWWEDCJ-HNNXBMFYSA-N 1 1 290.363 0.957 20 10 CCCDMO NC(=O)[C@@H]1C[N@@H+](Cc2cc3c(cc2O)CCCC3)CCO1 ZINC000160047633 649331958 /nfs/dbraw/zinc/33/19/58/649331958.db2.gz RPNMDXJZWWEDCJ-HNNXBMFYSA-N 1 1 290.363 0.957 20 10 CCCDMO COc1ccc(O)c(C[N@H+]2CCN(CCO)[C@H](C)C2)c1 ZINC000190240876 649438674 /nfs/dbraw/zinc/43/86/74/649438674.db2.gz OEYZNKYNINGOSP-GFCCVEGCSA-N 1 1 280.368 0.899 20 10 CCCDMO COc1ccc(O)c(CN2CC[N@H+](CCO)[C@H](C)C2)c1 ZINC000190240876 649438678 /nfs/dbraw/zinc/43/86/78/649438678.db2.gz OEYZNKYNINGOSP-GFCCVEGCSA-N 1 1 280.368 0.899 20 10 CCCDMO COc1ccc(O)c(CN2CC[N@@H+](CCO)[C@H](C)C2)c1 ZINC000190240876 649438681 /nfs/dbraw/zinc/43/86/81/649438681.db2.gz OEYZNKYNINGOSP-GFCCVEGCSA-N 1 1 280.368 0.899 20 10 CCCDMO NC(=O)C[C@H]1C[C@@H]2C[N@H+](Cc3c(O)cccc3F)C[C@@H]2O1 ZINC001277483745 805721695 /nfs/dbraw/zinc/72/16/95/805721695.db2.gz AIGHGUIGEAMNJC-RULNRJAQSA-N 1 1 294.326 0.996 20 10 CCCDMO NC(=O)C[C@H]1C[C@@H]2C[N@@H+](Cc3c(O)cccc3F)C[C@@H]2O1 ZINC001277483745 805721697 /nfs/dbraw/zinc/72/16/97/805721697.db2.gz AIGHGUIGEAMNJC-RULNRJAQSA-N 1 1 294.326 0.996 20 10 CCCDMO OC[C@H]1C[N@@H+](Cc2cc(Cl)c(O)cc2O)CC[C@@H]1O ZINC001232260532 805914722 /nfs/dbraw/zinc/91/47/22/805914722.db2.gz RFUQOVIEOAQKNA-KOLCDFICSA-N 1 1 287.743 0.926 20 10 CCCDMO O=C1NCC[C@H]2C[N@H+](Cc3cc(O)c(O)cc3O)C[C@@H]12 ZINC001233486566 806060933 /nfs/dbraw/zinc/06/09/33/806060933.db2.gz SJTRHVWWPNLYNT-WCBMZHEXSA-N 1 1 278.308 0.371 20 10 CCCDMO COC(=O)[C@@H]1C[NH2+]CCN1Cc1cccc(Cl)c1O ZINC001236056648 806538838 /nfs/dbraw/zinc/53/88/38/806538838.db2.gz LNFXEIKUSPCAFB-NSHDSACASA-N 1 1 284.743 0.992 20 10 CCCDMO COC(=O)[C@@H]1C[N@H+](Cc2c(C)cccc2O)C[C@@H]1N ZINC001236354702 806584993 /nfs/dbraw/zinc/58/49/93/806584993.db2.gz PKVFANQMNZWYBE-NEPJUHHUSA-N 1 1 264.325 0.633 20 10 CCCDMO COC(=O)[C@@H]1C[N@@H+](Cc2c(C)cccc2O)C[C@@H]1N ZINC001236354702 806584996 /nfs/dbraw/zinc/58/49/96/806584996.db2.gz PKVFANQMNZWYBE-NEPJUHHUSA-N 1 1 264.325 0.633 20 10 CCCDMO COC(=O)[C@H]1C[N@H+](C)CCN1Cc1cc(F)ccc1O ZINC001140060056 799877819 /nfs/dbraw/zinc/87/78/19/799877819.db2.gz IXROOFJXRLAOFD-GFCCVEGCSA-N 1 1 282.315 0.820 20 10 CCCDMO COC(=O)[C@H]1C[N@@H+](C)CCN1Cc1cc(F)ccc1O ZINC001140060056 799877824 /nfs/dbraw/zinc/87/78/24/799877824.db2.gz IXROOFJXRLAOFD-GFCCVEGCSA-N 1 1 282.315 0.820 20 10 CCCDMO Cc1c(O)ccc(C[N@@H+]2C[C@H](CO)[C@H](O)C2)c1O ZINC001140744319 799938595 /nfs/dbraw/zinc/93/85/95/799938595.db2.gz TYTZEYLMLXLOJJ-ZYHUDNBSSA-N 1 1 253.298 0.191 20 10 CCCDMO Cc1ccc(C[NH+]2CC(N3CCNC(=O)C3)C2)c(O)c1 ZINC001140950960 799964263 /nfs/dbraw/zinc/96/42/63/799964263.db2.gz QSWCOZZQNGZBIS-UHFFFAOYSA-N 1 1 275.352 0.317 20 10 CCCDMO NC(=O)[C@@H]1CC[N@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001142524545 800127930 /nfs/dbraw/zinc/12/79/30/800127930.db2.gz ASMOSXUTXSFQEK-SSDOTTSWSA-N 1 1 256.252 0.978 20 10 CCCDMO NC(=O)[C@@H]1CC[N@@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001142524545 800127939 /nfs/dbraw/zinc/12/79/39/800127939.db2.gz ASMOSXUTXSFQEK-SSDOTTSWSA-N 1 1 256.252 0.978 20 10 CCCDMO COc1cccc(C[NH+]2CC(N(C)C3COC3)C2)c1O ZINC001203596523 803035716 /nfs/dbraw/zinc/03/57/16/803035716.db2.gz GPSSAUGPZLWGSL-UHFFFAOYSA-N 1 1 278.352 0.916 20 10 CCCDMO COc1cccc(C[N@H+]2CC[C@@](C)(CO)[C@H](O)C2)c1O ZINC001203589332 803035921 /nfs/dbraw/zinc/03/59/21/803035921.db2.gz GEYIBIUWEVIFTJ-HIFRSBDPSA-N 1 1 281.352 0.966 20 10 CCCDMO COc1ccc(O)c(C[NH+]2CCN(CCCO)CC2)c1 ZINC001203670371 803041709 /nfs/dbraw/zinc/04/17/09/803041709.db2.gz PNYCXOWHJKEXDH-UHFFFAOYSA-N 1 1 280.368 0.901 20 10 CCCDMO CN1CCC2(C[NH+](Cc3ccc(O)c(O)c3)C2)C1=O ZINC001203884696 803051338 /nfs/dbraw/zinc/05/13/38/803051338.db2.gz YDDFTGZXTPFVKS-UHFFFAOYSA-N 1 1 262.309 0.762 20 10 CCCDMO OC[C@H]1CC[N@@H+](Cc2ccc(O)cc2O)C[C@@H]1O ZINC001204275808 803075254 /nfs/dbraw/zinc/07/52/54/803075254.db2.gz BSBXNRRJFZSKHX-MFKMUULPSA-N 1 1 253.298 0.273 20 10 CCCDMO COc1cc(C[N@@H+]2CC[C@H](O)[C@](C)(CO)C2)cc(O)c1O ZINC001204342362 803079572 /nfs/dbraw/zinc/07/95/72/803079572.db2.gz LAKCJDZGUFKGOW-ZFWWWQNUSA-N 1 1 297.351 0.672 20 10 CCCDMO COc1cc(C[N@H+]2CC[C@H](O)[C@](C)(CO)C2)cc(O)c1O ZINC001204342362 803079579 /nfs/dbraw/zinc/07/95/79/803079579.db2.gz LAKCJDZGUFKGOW-ZFWWWQNUSA-N 1 1 297.351 0.672 20 10 CCCDMO COc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1O ZINC000179582208 803750539 /nfs/dbraw/zinc/75/05/39/803750539.db2.gz WYJSWFAQRVZRPS-JTQLQIEISA-N 1 1 250.298 0.851 20 10 CCCDMO COC(=O)Cc1ccc(CN2CC3(CCN3C)C2)c(O)c1 ZINC001277421224 805558166 /nfs/dbraw/zinc/55/81/66/805558166.db2.gz QBCFEGLBWPUXTN-UHFFFAOYSA-N 1 1 290.363 0.998 20 10 CCCDMO C[N@H+]1CCC[C@@](O)(CC(=O)NCc2cccc(O)c2O)C1 ZINC001263895846 809602104 /nfs/dbraw/zinc/60/21/04/809602104.db2.gz HZBPRDUKALLIDE-OAHLLOKOSA-N 1 1 294.351 0.561 20 10 CCCDMO C[C@]1(CO)CC[N@H+](Cc2cc(O)c(O)c(O)c2)C[C@@H]1O ZINC001233009949 816261337 /nfs/dbraw/zinc/26/13/37/816261337.db2.gz FHWQOOJVVPPBCG-GXTWGEPZSA-N 1 1 283.324 0.369 20 10 CCCDMO C[C@]1(CO)CC[N@@H+](Cc2cc(O)c(O)c(O)c2)C[C@@H]1O ZINC001233009949 816261342 /nfs/dbraw/zinc/26/13/42/816261342.db2.gz FHWQOOJVVPPBCG-GXTWGEPZSA-N 1 1 283.324 0.369 20 10 CCCDMO COC(=O)[C@H]1C[N@H+](Cc2cc(C)ccc2O)C[C@H]1N ZINC001236352365 817283038 /nfs/dbraw/zinc/28/30/38/817283038.db2.gz VRZIYEHJIVRLTI-NWDGAFQWSA-N 1 1 264.325 0.633 20 10 CCCDMO COC(=O)[C@H]1C[N@@H+](Cc2cc(C)ccc2O)C[C@H]1N ZINC001236352365 817283044 /nfs/dbraw/zinc/28/30/44/817283044.db2.gz VRZIYEHJIVRLTI-NWDGAFQWSA-N 1 1 264.325 0.633 20 10 CCCDMO COc1ccc(C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2OC)cc1C ZINC000700279974 818750258 /nfs/dbraw/zinc/75/02/58/818750258.db2.gz UUYBRSZEZJNDEJ-OCCSQVGLSA-N 1 1 299.392 0.905 20 10 CCCDMO CN1C(=O)CC[C@H]([NH2+]Cc2cc(F)cc(F)c2O)C1=O ZINC000708559759 819788726 /nfs/dbraw/zinc/78/87/26/819788726.db2.gz UHIAUIQCDKHXPK-JTQLQIEISA-N 1 1 284.262 0.907 20 10 CCCDMO COc1ccc(O)c(C[NH2+][C@@H](C)c2nnnn2C)c1 ZINC001184176573 844165599 /nfs/dbraw/zinc/16/55/99/844165599.db2.gz FKUSDQAHHMAJHG-QMMMGPOBSA-N 1 1 263.301 0.775 20 10 CCCDMO OC[C@H]1C[C@@H](F)C[N@@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144499168 840065722 /nfs/dbraw/zinc/06/57/22/840065722.db2.gz CXZYXVYOAPOYTN-DTWKUNHWSA-N 1 1 271.288 0.956 20 10 CCCDMO C[C@H]1C[N@H+](Cc2c(O)cc(O)cc2O)CC(=O)N1 ZINC001144500141 840067654 /nfs/dbraw/zinc/06/76/54/840067654.db2.gz PSXVHEFSKDACLT-ZETCQYMHSA-N 1 1 252.270 0.124 20 10 CCCDMO C[C@H]1C[N@@H+](Cc2c(O)cc(O)cc2O)CC(=O)N1 ZINC001144500141 840067661 /nfs/dbraw/zinc/06/76/61/840067661.db2.gz PSXVHEFSKDACLT-ZETCQYMHSA-N 1 1 252.270 0.124 20 10 CCCDMO CS(=O)(=O)[C@H]1CC[N@@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144509254 840072556 /nfs/dbraw/zinc/07/25/56/840072556.db2.gz QLTLYUFYHHMPPE-VIFPVBQESA-N 1 1 287.337 0.422 20 10 CCCDMO NC(=O)[C@@H]1CCCC[N@H+]1Cc1c(O)cc(O)cc1O ZINC001144509290 840072582 /nfs/dbraw/zinc/07/25/82/840072582.db2.gz RXXYCJGLOPNXLH-JTQLQIEISA-N 1 1 266.297 0.643 20 10 CCCDMO O=C(C[NH2+]Cc1cc(F)cc(F)c1O)N1CCCO1 ZINC001308545625 908420648 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Cc1ccc(C(=O)NCC[N@H+]2CCCOCC2)c(O)c1O ZINC000189381974 351674117 /nfs/dbraw/zinc/67/41/17/351674117.db2.gz BQQASAZQVYOZRM-UHFFFAOYSA-N 1 1 294.351 0.858 20 10 CCCDMO COCC[N@@H+](CCO)Cc1cc2c(cc1O)OCO2 ZINC000271180709 353030441 /nfs/dbraw/zinc/03/04/41/353030441.db2.gz YZXSULASIRCNRE-UHFFFAOYSA-N 1 1 269.297 0.562 20 10 CCCDMO NC(=O)N[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000271272899 353033189 /nfs/dbraw/zinc/03/31/89/353033189.db2.gz JYRAVYMWAPBJFV-SECBINFHSA-N 1 1 279.296 0.364 20 10 CCCDMO NC(=O)N[C@@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000272484896 353068081 /nfs/dbraw/zinc/06/80/81/353068081.db2.gz TWXRUAXHUVVQJA-SNVBAGLBSA-N 1 1 253.277 0.774 20 10 CCCDMO C[N@@H+](CCCN1C(=O)CNC1=O)Cc1ccccc1O ZINC000109769123 389099877 /nfs/dbraw/zinc/09/98/77/389099877.db2.gz NOIRQFHKNQKGJI-UHFFFAOYSA-N 1 1 277.324 0.766 20 10 CCCDMO Cc1ccc(O)c(C[N@H+]2CCN3C(=O)NC[C@H]3C2)c1 ZINC000156062961 389323747 /nfs/dbraw/zinc/32/37/47/389323747.db2.gz QBNYWWCPOCLLSG-LBPRGKRZSA-N 1 1 261.325 0.910 20 10 CCCDMO C[C@@H](O)C[N@H+]1CCN(C(=O)Cc2ccc(N)cc2)C[C@H]1C ZINC000167978398 389446774 /nfs/dbraw/zinc/44/67/74/389446774.db2.gz WBJDJJXNWQSOLR-CHWSQXEVSA-N 1 1 291.395 0.725 20 10 CCCDMO CN(C)c1ccc(CNC(=O)[C@H]2C[N@H+](C)CCO2)cc1F ZINC000172721039 389493097 /nfs/dbraw/zinc/49/30/97/389493097.db2.gz FTOWLHHQXWXOIE-CQSZACIVSA-N 1 1 295.358 0.839 20 10 CCCDMO CN(C)c1ccc(CNC(=O)[C@H]2C[N@@H+](C)CCO2)cc1F ZINC000172721039 389493099 /nfs/dbraw/zinc/49/30/99/389493099.db2.gz FTOWLHHQXWXOIE-CQSZACIVSA-N 1 1 295.358 0.839 20 10 CCCDMO CCOc1cccc(C[N@@H+]2CCO[C@@H](C(=O)NC)C2)c1O ZINC000182458416 389709119 /nfs/dbraw/zinc/70/91/19/389709119.db2.gz KLNXANDATTZJJI-CYBMUJFWSA-N 1 1 294.351 0.738 20 10 CCCDMO CCOc1cccc(C[N@H+]2CCO[C@@H](C(=O)NC)C2)c1O ZINC000182458416 389709123 /nfs/dbraw/zinc/70/91/23/389709123.db2.gz KLNXANDATTZJJI-CYBMUJFWSA-N 1 1 294.351 0.738 20 10 CCCDMO CNC(=O)NC[C@H]1C[N@H+](Cc2cccc(C)c2O)CCO1 ZINC000529644617 390849245 /nfs/dbraw/zinc/84/92/45/390849245.db2.gz 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581484157 /nfs/dbraw/zinc/48/41/57/581484157.db2.gz NNUMIZWJGZXJNJ-IINYFYTJSA-N 1 1 297.326 0.909 20 10 CCCDMO CN(C)c1ccc(C[N@H+](C)CCS(N)(=O)=O)cc1 ZINC000741053423 581729084 /nfs/dbraw/zinc/72/90/84/581729084.db2.gz DNPCFYYMSALJDU-UHFFFAOYSA-N 1 1 271.386 0.473 20 10 CCCDMO CN(C)c1ccc(C[N@@H+](C)CCS(N)(=O)=O)cc1 ZINC000741053423 581729086 /nfs/dbraw/zinc/72/90/86/581729086.db2.gz DNPCFYYMSALJDU-UHFFFAOYSA-N 1 1 271.386 0.473 20 10 CCCDMO COc1ccc(O)c(CNC(=O)CN2CC[NH+](C)CC2)c1 ZINC000114542859 617272760 /nfs/dbraw/zinc/27/27/60/617272760.db2.gz XZQOSHCQOOVYBL-UHFFFAOYSA-N 1 1 293.367 0.264 20 10 CCCDMO COc1ccc(O)c(C[N@H+]2C[C@@H](O)C[C@@]2(C)CO)c1 ZINC000895331147 617272956 /nfs/dbraw/zinc/27/29/56/617272956.db2.gz OBOAHQOCDCUYDL-FZMZJTMJSA-N 1 1 267.325 0.718 20 10 CCCDMO CCOc1ccc(O)c(C[N@H+]2CC[C@@](O)(C(=O)OC)C2)c1 ZINC000895708127 615512149 /nfs/dbraw/zinc/51/21/49/615512149.db2.gz POJKDSXYSUMNIN-HNNXBMFYSA-N 1 1 295.335 0.901 20 10 CCCDMO CCc1cccc(C[N@H+]2C[C@H](O)C[C@H]2CO)c1O ZINC000848904548 615683081 /nfs/dbraw/zinc/68/30/81/615683081.db2.gz XDIYUOYIOPLTCY-QWHCGFSZSA-N 1 1 251.326 0.882 20 10 CCCDMO CN(C)CC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832278896 615865008 /nfs/dbraw/zinc/86/50/08/615865008.db2.gz FTKTWOBWVDZFRK-CYBMUJFWSA-N 1 1 264.373 0.430 20 10 CCCDMO CN(C)c1ccc(CNC[C@@H]2C[NH2+]CCO2)cc1F ZINC000841098152 616016005 /nfs/dbraw/zinc/01/60/05/616016005.db2.gz DRTUTIIIBRGEMX-LBPRGKRZSA-N 1 1 267.348 0.970 20 10 CCCDMO C[N@@H+](Cc1cc2c(cc1O)OCO2)[C@@]1(CO)CCOC1 ZINC000862427398 616164934 /nfs/dbraw/zinc/16/49/34/616164934.db2.gz XQEGDFVDSBDWNT-CQSZACIVSA-N 1 1 281.308 0.704 20 10 CCCDMO COC[C@@H]1C[C@@H](O)C[N@H+]1Cc1cc(OC)ccc1O ZINC000846046896 616991913 /nfs/dbraw/zinc/99/19/13/616991913.db2.gz DKSRCFATDXJIOW-NWDGAFQWSA-N 1 1 267.325 0.982 20 10 CCCDMO C[C@]1(CO)C[C@H](O)C[N@@H+]1Cc1cc(F)cc(F)c1O ZINC000895323732 632056749 /nfs/dbraw/zinc/05/67/49/632056749.db2.gz GTZSDCJVIVOTOO-GXFFZTMASA-N 1 1 273.279 0.988 20 10 CCCDMO C[C@]1(CO)C[C@H](O)C[N@H+]1Cc1cc(F)cc(F)c1O ZINC000895323732 632056758 /nfs/dbraw/zinc/05/67/58/632056758.db2.gz GTZSDCJVIVOTOO-GXFFZTMASA-N 1 1 273.279 0.988 20 10 CCCDMO [NH3+]C[C@H](NCc1cc2c(cc1O)OCO2)C1CC1 ZINC000841028783 633210810 /nfs/dbraw/zinc/21/08/10/633210810.db2.gz RVZJZIXQJYJJKY-JTQLQIEISA-N 1 1 250.298 0.948 20 10 CCCDMO Cc1ccc(O)c(CNC(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)c1 ZINC000913000890 636720627 /nfs/dbraw/zinc/72/06/27/636720627.db2.gz YVTHDKXYZVMRGL-WFASDCNBSA-N 1 1 278.352 0.772 20 10 CCCDMO Cc1cccc(C[N@H+]2CCC(CO)(CO)C2)c1O ZINC000827474576 642008882 /nfs/dbraw/zinc/00/88/82/642008882.db2.gz DYTPYRBKZDSMFF-UHFFFAOYSA-N 1 1 251.326 0.877 20 10 CCCDMO O=C(NCC[N@H+]1CC[C@@H](O)C1)C1=CC(=O)CS1 ZINC000863319512 645078217 /nfs/dbraw/zinc/07/82/17/645078217.db2.gz TYYDJURASHBIQT-MRVPVSSYSA-N 1 1 256.327 0.250 20 10 CCCDMO O=C(NCC[N@@H+]1CC[C@@H](O)C1)C1=CC(=O)CS1 ZINC000863319512 645078222 /nfs/dbraw/zinc/07/82/22/645078222.db2.gz TYYDJURASHBIQT-MRVPVSSYSA-N 1 1 256.327 0.250 20 10 CCCDMO [NH3+]C1(CNCc2cc3c(cc2O)OCO3)CCOCC1 ZINC000863482112 645098640 /nfs/dbraw/zinc/09/86/40/645098640.db2.gz TUPVRQGWNDMFSZ-UHFFFAOYSA-N 1 1 280.324 0.718 20 10 CCCDMO C[C@@H](O)[C@@H](O)C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000865738860 645408799 /nfs/dbraw/zinc/40/87/99/645408799.db2.gz KXKORXMRXPDGFT-CJNGLKHVSA-N 1 1 293.411 0.270 20 10 CCCDMO Cc1cccc(O)c1C[N@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000877343036 646798786 /nfs/dbraw/zinc/79/87/86/646798786.db2.gz IFBRAAXSCQCSFV-LLVKDONJSA-N 1 1 284.381 0.954 20 10 CCCDMO C[C@@H]([NH2+]C[C@@H](O)CS(C)(=O)=O)c1ccc(F)cc1O ZINC000927026063 648539636 /nfs/dbraw/zinc/53/96/36/648539636.db2.gz POHTUDMUXYLJAV-PSASIEDQSA-N 1 1 291.344 0.587 20 10 CCCDMO COc1cc(CN2C[C@@H]3C[C@H]2C[N@H+]3C)c(O)cc1O ZINC001231638480 805824004 /nfs/dbraw/zinc/82/40/04/805824004.db2.gz BYIHOAMMVHOYAL-QWRGUYRKSA-N 1 1 264.325 0.995 20 10 CCCDMO COc1cc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C)c(O)cc1O ZINC001231638480 805824008 /nfs/dbraw/zinc/82/40/08/805824008.db2.gz BYIHOAMMVHOYAL-QWRGUYRKSA-N 1 1 264.325 0.995 20 10 CCCDMO COc1cc(C[N@H+]2C[C@@H]3C[C@H]2CN3C)c(O)cc1O ZINC001231638480 805824016 /nfs/dbraw/zinc/82/40/16/805824016.db2.gz BYIHOAMMVHOYAL-QWRGUYRKSA-N 1 1 264.325 0.995 20 10 CCCDMO COc1cc(C[N@@H+]2CCN3C(=O)OC[C@H]3C2)c(O)cc1O ZINC001231637412 805825560 /nfs/dbraw/zinc/82/55/60/805825560.db2.gz MHTGURZKIRTOGJ-SNVBAGLBSA-N 1 1 294.307 0.743 20 10 CCCDMO COc1cc(C[N@H+]2CCN3C(=O)OC[C@H]3C2)c(O)cc1O ZINC001231637412 805825573 /nfs/dbraw/zinc/82/55/73/805825573.db2.gz MHTGURZKIRTOGJ-SNVBAGLBSA-N 1 1 294.307 0.743 20 10 CCCDMO COc1cc(C[N@H+]2CC[C@@H](NC(C)=O)C2)c(O)cc1O ZINC001231639579 805825606 /nfs/dbraw/zinc/82/56/06/805825606.db2.gz VEHULRFOYPFBCF-LLVKDONJSA-N 1 1 280.324 0.817 20 10 CCCDMO COc1cc(N(C)C)ccc1C[N@H+]1C[C@H](O)[C@H](CO)C1 ZINC001231849721 805861955 /nfs/dbraw/zinc/86/19/55/805861955.db2.gz XJDOGONFORBAID-JSGCOSHPSA-N 1 1 280.368 0.546 20 10 CCCDMO COc1cc(N(C)C)ccc1C[N@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC001231847667 805862926 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ZINC001236337956 806569038 /nfs/dbraw/zinc/56/90/38/806569038.db2.gz CGVXIKISNQRFMC-GHMZBOCLSA-N 1 1 250.298 0.324 20 10 CCCDMO COc1cc(O)c(C[N@H+]2CC[C@@H](O)[C@H](CO)C2)cc1OC ZINC001236748984 806607675 /nfs/dbraw/zinc/60/76/75/806607675.db2.gz DFGIBISGDVULEU-NWDGAFQWSA-N 1 1 297.351 0.585 20 10 CCCDMO CNC(=O)C[N@@H+](C)Cc1c(C)cc(OC)cc1O ZINC001236809139 806612501 /nfs/dbraw/zinc/61/25/01/806612501.db2.gz UBUJSYAWQFWUGJ-UHFFFAOYSA-N 1 1 252.314 0.887 20 10 CCCDMO CCOc1ccc(C[N@H+]2CC[C@H](O)[C@@H](CO)C2)c(O)c1 ZINC001237049489 806634937 /nfs/dbraw/zinc/63/49/37/806634937.db2.gz GVNMQZULJNVPNI-OCCSQVGLSA-N 1 1 281.352 0.966 20 10 CCCDMO O=C1COC[C@@H]2C[N@H+](Cc3cc(F)ccc3O)CCN12 ZINC001140059166 799878074 /nfs/dbraw/zinc/87/80/74/799878074.db2.gz WRVHXQUYPKNQSY-LBPRGKRZSA-N 1 1 280.299 0.574 20 10 CCCDMO O=C1COC[C@@H]2C[N@@H+](Cc3cc(F)ccc3O)CCN12 ZINC001140059166 799878080 /nfs/dbraw/zinc/87/80/80/799878080.db2.gz WRVHXQUYPKNQSY-LBPRGKRZSA-N 1 1 280.299 0.574 20 10 CCCDMO Cc1c(O)ccc(C[N@H+]2CC[C@](C)(CO)[C@@H](O)C2)c1O ZINC001140743970 799938231 /nfs/dbraw/zinc/93/82/31/799938231.db2.gz GWPJSUWSWKLRHN-DZGCQCFKSA-N 1 1 281.352 0.971 20 10 CCCDMO Cc1c(O)ccc(C[NH+]2CCN(C(N)=O)CC2)c1O ZINC001140746062 799939250 /nfs/dbraw/zinc/93/92/50/799939250.db2.gz UETWQXVEHLRNMN-UHFFFAOYSA-N 1 1 265.313 0.603 20 10 CCCDMO COC(=O)[C@@H]1C[N@@H+](Cc2cc(O)ccc2O)CCCO1 ZINC001141162645 799986678 /nfs/dbraw/zinc/98/66/78/799986678.db2.gz YJIJVIWJOIZMSW-ZDUSSCGKSA-N 1 1 281.308 0.862 20 10 CCCDMO COC(=O)[C@H]1C[N@H+](Cc2cccc(OC)c2O)CCN1C ZINC001203600253 803037709 /nfs/dbraw/zinc/03/77/09/803037709.db2.gz ZVFCQXPLMTURBS-GFCCVEGCSA-N 1 1 294.351 0.690 20 10 CCCDMO COC(=O)[C@H]1C[N@@H+](Cc2cccc(OC)c2O)CCN1C ZINC001203600253 803037715 /nfs/dbraw/zinc/03/77/15/803037715.db2.gz ZVFCQXPLMTURBS-GFCCVEGCSA-N 1 1 294.351 0.690 20 10 CCCDMO O=C1NC[C@@H]2CC[N@H+](Cc3ccc(O)c(O)c3)C[C@H]12 ZINC001203882564 803050701 /nfs/dbraw/zinc/05/07/01/803050701.db2.gz LWMUPLRJBVQZCD-QWRGUYRKSA-N 1 1 262.309 0.666 20 10 CCCDMO COC(=O)[C@H]1C[N@H+](C)CCN1Cc1ccc(O)cc1O ZINC001204277855 803077333 /nfs/dbraw/zinc/07/73/33/803077333.db2.gz MPRSRQOLTMOSIB-GFCCVEGCSA-N 1 1 280.324 0.387 20 10 CCCDMO COC(=O)[C@H]1C[N@@H+](C)CCN1Cc1ccc(O)cc1O ZINC001204277855 803077340 /nfs/dbraw/zinc/07/73/40/803077340.db2.gz MPRSRQOLTMOSIB-GFCCVEGCSA-N 1 1 280.324 0.387 20 10 CCCDMO CC[N@H+]1CC[C@H](Oc2c(O)c(O)c(O)c(O)c2O)C1 ZINC001226464474 805235551 /nfs/dbraw/zinc/23/55/51/805235551.db2.gz HXIQGKGIFRGXTA-LURJTMIESA-N 1 1 271.269 0.688 20 10 CCCDMO COC(=O)Cc1ccc(C[N@H+]2CCNC(=O)CC2)c(O)c1 ZINC001249171836 807546556 /nfs/dbraw/zinc/54/65/56/807546556.db2.gz GMGFEESNCVJRLT-UHFFFAOYSA-N 1 1 292.335 0.430 20 10 CCCDMO COC(=O)[C@@H]1C[N@H+](Cc2cccc(C)c2O)C[C@H]1N ZINC001236351258 817281243 /nfs/dbraw/zinc/28/12/43/817281243.db2.gz KKRVDDIEMYUDHW-VXGBXAGGSA-N 1 1 264.325 0.633 20 10 CCCDMO COC(=O)[C@@H]1C[N@@H+](Cc2cccc(C)c2O)C[C@H]1N ZINC001236351258 817281250 /nfs/dbraw/zinc/28/12/50/817281250.db2.gz KKRVDDIEMYUDHW-VXGBXAGGSA-N 1 1 264.325 0.633 20 10 CCCDMO Cc1cccc(O)c1C[N@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC001237484989 817507473 /nfs/dbraw/zinc/50/74/73/817507473.db2.gz KTLAXBOLBDYEED-SMDDNHRTSA-N 1 1 251.326 0.876 20 10 CCCDMO COc1ccc(C[N@H+]2CC[C@H](O)[C@@](C)(CO)C2)c(O)c1 ZINC001203621545 844441732 /nfs/dbraw/zinc/44/17/32/844441732.db2.gz WZOJPKCVEKDGOP-LSDHHAIUSA-N 1 1 281.352 0.966 20 10 CCCDMO OC[C@@H]1C[C@H]2OCC[N@@H+](Cc3c(O)cc(O)cc3O)[C@H]2C1 ZINC001144504318 840069205 /nfs/dbraw/zinc/06/92/05/840069205.db2.gz PHGFENOYPWEBFV-ONENECBXSA-N 1 1 295.335 0.775 20 10 CCCDMO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3c(O)cc(O)cc3O)C[C@@H]21 ZINC001144514513 840073848 /nfs/dbraw/zinc/07/38/48/840073848.db2.gz IPBHAABSTSUBOK-WOFXILAISA-N 1 1 279.292 0.654 20 10 CCCDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3cc(O)c(O)c(O)c3)C[C@@H]21 ZINC001148588126 840852330 /nfs/dbraw/zinc/85/23/30/840852330.db2.gz OXUDYFUETULUIP-ONGXEEELSA-N 1 1 292.335 0.970 20 10 CCCDMO COc1ccc(C[N@H+]2C[C@H]3CN(C)C[C@@H](C2)O3)c(O)c1 ZINC001275276117 848682088 /nfs/dbraw/zinc/68/20/88/848682088.db2.gz VVBOYFYYMBXXAI-OKILXGFUSA-N 1 1 278.352 0.916 20 10 CCCDMO COc1ccc(C[N@@H+]2C[C@H]3CN(C)C[C@@H](C2)O3)c(O)c1 ZINC001275276117 848682095 /nfs/dbraw/zinc/68/20/95/848682095.db2.gz VVBOYFYYMBXXAI-OKILXGFUSA-N 1 1 278.352 0.916 20 10 CCCDMO COc1ccc(CN2C[C@@H]3C[N@@H+](C)C[C@H](C2)O3)c(O)c1 ZINC001275276117 848682097 /nfs/dbraw/zinc/68/20/97/848682097.db2.gz VVBOYFYYMBXXAI-OKILXGFUSA-N 1 1 278.352 0.916 20 10 CCCDMO COc1ccc(CN2C[C@@H]3C[N@H+](C)C[C@H](C2)O3)c(O)c1 ZINC001275276117 848682103 /nfs/dbraw/zinc/68/21/03/848682103.db2.gz VVBOYFYYMBXXAI-OKILXGFUSA-N 1 1 278.352 0.916 20 10 CCCDMO CN(C)c1ccc(CN2[C@H]3COC[C@@H]2C[N@@H+](C)C3)c(O)c1 ZINC001275584724 848769433 /nfs/dbraw/zinc/76/94/33/848769433.db2.gz HLKBJXKGLNJJEU-GASCZTMLSA-N 1 1 291.395 0.973 20 10 CCCDMO C[C@H]1[C@@H](NC(=O)c2cccc(O)c2O)CC[N@H+]1C ZINC000719336389 849308466 /nfs/dbraw/zinc/30/84/66/849308466.db2.gz IDIMAKNUHYKECJ-WPRPVWTQSA-N 1 1 250.298 0.920 20 10 CCCDMO COc1ccc(O)c(C[N@@H+](C)CCNS(C)(=O)=O)c1 ZINC001116483212 855773366 /nfs/dbraw/zinc/77/33/66/855773366.db2.gz OFORBXFUDIWVKR-UHFFFAOYSA-N 1 1 288.369 0.382 20 10 CCCDMO Cc1ccc(C[NH+]2CC3(C2)COCC(=O)N3C)c(O)c1 ZINC001272767092 897632420 /nfs/dbraw/zinc/63/24/20/897632420.db2.gz WSBWIWLTTVHLGD-UHFFFAOYSA-N 1 1 276.336 0.744 20 10 CCCDMO [NH3+]C[C@]1(O)CCC[N@@H+](Cc2cc(C(=O)[O-])ccc2O)CC1 ZINC001205240641 897726588 /nfs/dbraw/zinc/72/65/88/897726588.db2.gz MMTMHBZFXOKNOK-HNNXBMFYSA-N 1 1 294.351 0.766 20 10 CCCDMO Nc1ccc(C[NH+]2CCN(CC(=O)NC3CC3)CC2)cc1 ZINC001337833689 921297398 /nfs/dbraw/zinc/29/73/98/921297398.db2.gz FMVRKJOOZBKOEG-UHFFFAOYSA-N 1 1 288.395 0.665 20 10 CCCDMO CNS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000092067637 349481437 /nfs/dbraw/zinc/48/14/37/349481437.db2.gz AKEBKEWNGLCEJW-AWEZNQCLSA-N 1 1 297.424 0.876 20 10 CCCDMO COc1cccc(C[N@H+]2CC[C@@H](NC(N)=O)C2)c1O ZINC000271377805 353033203 /nfs/dbraw/zinc/03/32/03/353033203.db2.gz REACTSOQCATGHX-SNVBAGLBSA-N 1 1 265.313 0.643 20 10 CCCDMO CN(C)C(=O)CC[NH+]1CCN(Cc2ccccc2O)CC1 ZINC000271348946 353033791 /nfs/dbraw/zinc/03/37/91/353033791.db2.gz KWGUFOMJTHWSNB-UHFFFAOYSA-N 1 1 291.395 0.988 20 10 CCCDMO COC[C@@H](O)C[NH2+][C@H](C)c1cc(C(=O)OC)ccc1O ZINC000273583708 353112368 /nfs/dbraw/zinc/11/23/68/353112368.db2.gz NGLNTAJTQVGPOP-KOLCDFICSA-N 1 1 283.324 0.837 20 10 CCCDMO COC(=O)CCNC(=O)C[N@@H+](C)Cc1ccccc1O ZINC000109773078 389100020 /nfs/dbraw/zinc/10/00/20/389100020.db2.gz BFJGWXMIKSMMAQ-UHFFFAOYSA-N 1 1 280.324 0.503 20 10 CCCDMO CN(C)c1ccc(CNC(=O)C[N@H+](C)CCO)cc1 ZINC000267949371 389375969 /nfs/dbraw/zinc/37/59/69/389375969.db2.gz RHDHXZTYDZWFGK-UHFFFAOYSA-N 1 1 265.357 0.293 20 10 CCCDMO CN(C)c1ccc(CNC(=O)C[N@@H+](C)CCO)cc1 ZINC000267949371 389375972 /nfs/dbraw/zinc/37/59/72/389375972.db2.gz RHDHXZTYDZWFGK-UHFFFAOYSA-N 1 1 265.357 0.293 20 10 CCCDMO NS(=O)(=O)[C@@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000372734393 389456786 /nfs/dbraw/zinc/45/67/86/389456786.db2.gz BXIVSQXTCQZAFO-LLVKDONJSA-N 1 1 288.344 0.784 20 10 CCCDMO NS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000372734393 389456788 /nfs/dbraw/zinc/45/67/88/389456788.db2.gz BXIVSQXTCQZAFO-LLVKDONJSA-N 1 1 288.344 0.784 20 10 CCCDMO CNC(=O)[C@@H]1C[N@@H+](Cc2cccc(C)c2O)CCO1 ZINC000182462738 389708750 /nfs/dbraw/zinc/70/87/50/389708750.db2.gz ZSEHPLODWRTKBO-LBPRGKRZSA-N 1 1 264.325 0.647 20 10 CCCDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCNC1=O ZINC000179305217 389652636 /nfs/dbraw/zinc/65/26/36/389652636.db2.gz MLLMENQHKSFHOP-OAHLLOKOSA-N 1 1 289.379 0.844 20 10 CCCDMO CNC(=O)[C@H]1C[N@H+](Cc2cccc(OC)c2O)CCO1 ZINC000182432398 261938274 /nfs/dbraw/zinc/93/82/74/261938274.db2.gz BZKWOHJVVJKVRG-GFCCVEGCSA-N 1 1 280.324 0.348 20 10 CCCDMO CNC(=O)[C@H]1C[N@@H+](Cc2cccc(OC)c2O)CCO1 ZINC000182432398 261938275 /nfs/dbraw/zinc/93/82/75/261938275.db2.gz BZKWOHJVVJKVRG-GFCCVEGCSA-N 1 1 280.324 0.348 20 10 CCCDMO CCN1C(=O)[C@H]2C[N@@H+](Cc3ccccc3O)CCN2C1=O ZINC000368587999 267189111 /nfs/dbraw/zinc/18/91/11/267189111.db2.gz CAXFDAAKDPHLBU-GFCCVEGCSA-N 1 1 289.335 0.861 20 10 CCCDMO COc1ccc(O)c(C[N@H+]2CC[C@@H]3OCC(=O)N[C@H]3C2)c1 ZINC000377224280 268057709 /nfs/dbraw/zinc/05/77/09/268057709.db2.gz NIWGJRFICDHBBZ-JSGCOSHPSA-N 1 1 292.335 0.490 20 10 CCCDMO COC(=O)c1cn(C2C[NH+](Cc3ccccc3O)C2)nn1 ZINC000779614498 581194644 /nfs/dbraw/zinc/19/46/44/581194644.db2.gz VGLWLIPLMLSRLZ-UHFFFAOYSA-N 1 1 288.307 0.827 20 10 CCCDMO COc1cc(O)c(C[N@@H+]2C[C@H](C)O[C@H](CO)C2)cc1OC ZINC000787417064 581469909 /nfs/dbraw/zinc/46/99/09/581469909.db2.gz IMGSHCSREBMWSX-JQWIXIFHSA-N 1 1 297.351 0.991 20 10 CCCDMO COc1cc(O)c(C[N@H+]2C[C@H](C)O[C@H](CO)C2)cc1OC ZINC000787417064 581469911 /nfs/dbraw/zinc/46/99/11/581469911.db2.gz IMGSHCSREBMWSX-JQWIXIFHSA-N 1 1 297.351 0.991 20 10 CCCDMO O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2Cc1cc2c(cc1O)OCO2 ZINC000748261743 581967286 /nfs/dbraw/zinc/96/72/86/581967286.db2.gz JXHJXGIIAALEMP-MNOVXSKESA-N 1 1 290.319 0.974 20 10 CCCDMO COc1cc(O)c(C[N@@H+]2C[C@H](O)C[C@H](O)C2)cc1OC ZINC000775735373 582035658 /nfs/dbraw/zinc/03/56/58/582035658.db2.gz OUYGLMOFVUTPSN-PHIMTYICSA-N 1 1 283.324 0.337 20 10 CCCDMO COc1ccc(C[N@H+]2CC[C@@H](C(N)=O)C2)c(O)c1OC ZINC000891440692 617250864 /nfs/dbraw/zinc/25/08/64/617250864.db2.gz NYSHCSXAFYIYPG-SNVBAGLBSA-N 1 1 280.324 0.717 20 10 CCCDMO COc1ccc(N2CC[NH+](C[C@@H](O)CO)CC2)cc1F ZINC000929821176 617267771 /nfs/dbraw/zinc/26/77/71/617267771.db2.gz MDOSUKSEUYLFIX-GFCCVEGCSA-N 1 1 284.331 0.310 20 10 CCCDMO CCOc1ccc(O)c(C[N@H+]2CC[C@](O)(C(=O)OC)C2)c1 ZINC000895708129 615512243 /nfs/dbraw/zinc/51/22/43/615512243.db2.gz POJKDSXYSUMNIN-OAHLLOKOSA-N 1 1 295.335 0.901 20 10 CCCDMO CN1CC[N@@H+](C)CC(C(=O)N2Cc3cccc(O)c3C2)C1 ZINC000913726895 616233774 /nfs/dbraw/zinc/23/37/74/616233774.db2.gz ZEKAPROZTCVDHB-UHFFFAOYSA-N 1 1 289.379 0.728 20 10 CCCDMO COC(=O)CN(C)C(=O)CC[N@@H+](C)Cc1ccccc1O ZINC000111235169 616583585 /nfs/dbraw/zinc/58/35/85/616583585.db2.gz YXQMHKCCVVAHTN-UHFFFAOYSA-N 1 1 294.351 0.846 20 10 CCCDMO COC(=O)[C@H]1C[C@H](O)C[N@@H+](Cc2c(O)cccc2OC)C1 ZINC000843433617 616724283 /nfs/dbraw/zinc/72/42/83/616724283.db2.gz AWZIAPYGWWJDQJ-QWRGUYRKSA-N 1 1 295.335 0.757 20 10 CCCDMO COc1c(O)c(C[N@H+](C)CCNC(C)=O)ccc1[N+](=O)[O-] ZINC000843428139 617149285 /nfs/dbraw/zinc/14/92/85/617149285.db2.gz OEHLVIFBQNBXLK-UHFFFAOYSA-N 1 1 297.311 0.877 20 10 CCCDMO COc1c(O)c(C[N@@H+](C)CCNC(C)=O)ccc1[N+](=O)[O-] ZINC000843428139 617149286 /nfs/dbraw/zinc/14/92/86/617149286.db2.gz OEHLVIFBQNBXLK-UHFFFAOYSA-N 1 1 297.311 0.877 20 10 CCCDMO OC[C@H]1C[N@H+](Cc2cc(F)cc(F)c2O)CC[C@H]1O ZINC000895015793 631893884 /nfs/dbraw/zinc/89/38/84/631893884.db2.gz YYGVBUUWEOJUNE-BXKDBHETSA-N 1 1 273.279 0.846 20 10 CCCDMO OC[C@H]1C[N@@H+](Cc2cc(F)cc(F)c2O)CC[C@H]1O ZINC000895015793 631893887 /nfs/dbraw/zinc/89/38/87/631893887.db2.gz YYGVBUUWEOJUNE-BXKDBHETSA-N 1 1 273.279 0.846 20 10 CCCDMO OC[C@@H]1C[N@H+](Cc2cc(F)cc(F)c2O)CC[C@H]1O ZINC000895015796 631894933 /nfs/dbraw/zinc/89/49/33/631894933.db2.gz YYGVBUUWEOJUNE-JOYOIKCWSA-N 1 1 273.279 0.846 20 10 CCCDMO OC[C@@H]1C[N@@H+](Cc2cc(F)cc(F)c2O)CC[C@H]1O ZINC000895015796 631894939 /nfs/dbraw/zinc/89/49/39/631894939.db2.gz YYGVBUUWEOJUNE-JOYOIKCWSA-N 1 1 273.279 0.846 20 10 CCCDMO NS(=O)(=O)C[C@@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC000897058765 632384343 /nfs/dbraw/zinc/38/43/43/632384343.db2.gz RYSVEGPGXGWZLE-SNVBAGLBSA-N 1 1 270.354 0.503 20 10 CCCDMO [NH3+]C[C@@H](NCc1cc2c(cc1O)OCO2)C1CC1 ZINC000841028784 633210759 /nfs/dbraw/zinc/21/07/59/633210759.db2.gz RVZJZIXQJYJJKY-SNVBAGLBSA-N 1 1 250.298 0.948 20 10 CCCDMO Cc1ccc(O)c(CNC(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)c1 ZINC000913000888 636720962 /nfs/dbraw/zinc/72/09/62/636720962.db2.gz YVTHDKXYZVMRGL-IUODEOHRSA-N 1 1 278.352 0.772 20 10 CCCDMO Cc1ccc(O)c(CN(C)CC(=O)N2CC[NH2+]CC2)c1 ZINC000071409441 638573800 /nfs/dbraw/zinc/57/38/00/638573800.db2.gz NUYOLJLTRIHSRN-UHFFFAOYSA-N 1 1 277.368 0.564 20 10 CCCDMO C[C@@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)c1ccccc1O ZINC000827936751 642051895 /nfs/dbraw/zinc/05/18/95/642051895.db2.gz CDGJTUWNBDGIOE-MFKMUULPSA-N 1 1 264.325 0.900 20 10 CCCDMO C[C@@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)c1ccccc1O ZINC000827936751 642051896 /nfs/dbraw/zinc/05/18/96/642051896.db2.gz CDGJTUWNBDGIOE-MFKMUULPSA-N 1 1 264.325 0.900 20 10 CCCDMO COc1cc(C[N@@H+]2CCCC[C@@H]2C(N)=O)c(O)cc1O ZINC001231636084 805821650 /nfs/dbraw/zinc/82/16/50/805821650.db2.gz QJSJYUKMJZVGCJ-SNVBAGLBSA-N 1 1 280.324 0.946 20 10 CCCDMO COc1cc(C[N@H+]2CCCC[C@@H]2C(N)=O)c(O)cc1O ZINC001231636084 805821662 /nfs/dbraw/zinc/82/16/62/805821662.db2.gz QJSJYUKMJZVGCJ-SNVBAGLBSA-N 1 1 280.324 0.946 20 10 CCCDMO COc1cc(N(C)C)ccc1C[N@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC001231847668 805862623 /nfs/dbraw/zinc/86/26/23/805862623.db2.gz BEXNWMBHMFYFJO-UKRRQHHQSA-N 1 1 294.395 0.936 20 10 CCCDMO CN(C)c1ccc(C[N@H+]2CCC[C@H]2C(N)=O)c(O)c1 ZINC001232834131 805986087 /nfs/dbraw/zinc/98/60/87/805986087.db2.gz HRLVWWSBTOJGDK-LBPRGKRZSA-N 1 1 263.341 0.908 20 10 CCCDMO COC(=O)[C@@H]1C[N@H+](Cc2c(C)cc(OC)cc2O)C[C@@H]1N ZINC001236352134 806582970 /nfs/dbraw/zinc/58/29/70/806582970.db2.gz MLABIQDWPNLMSX-OLZOCXBDSA-N 1 1 294.351 0.641 20 10 CCCDMO COC(=O)[C@@H]1C[N@@H+](Cc2c(C)cc(OC)cc2O)C[C@@H]1N ZINC001236352134 806582976 /nfs/dbraw/zinc/58/29/76/806582976.db2.gz MLABIQDWPNLMSX-OLZOCXBDSA-N 1 1 294.351 0.641 20 10 CCCDMO Cc1cc(F)cc(C[N@@H+]2C[C@H](CO)[C@H](O)C2)c1O ZINC001238065703 806746511 /nfs/dbraw/zinc/74/65/11/806746511.db2.gz YZUXTCHAQGMZSS-ZYHUDNBSSA-N 1 1 255.289 0.625 20 10 CCCDMO Cc1cc(C[N@@H+](C)C[C@@H](O)CO)ccc1N(C)C ZINC001139669920 799828794 /nfs/dbraw/zinc/82/87/94/799828794.db2.gz DNTXOBKDYURYJZ-CYBMUJFWSA-N 1 1 252.358 0.846 20 10 CCCDMO Cc1c(O)ccc(C[N@H+]2CC[C@@H](CO)[C@H](O)C2)c1O ZINC001140743876 799937672 /nfs/dbraw/zinc/93/76/72/799937672.db2.gz CLVCFCZTNYERAH-WCQYABFASA-N 1 1 267.325 0.581 20 10 CCCDMO Cc1c(O)ccc(C[N@@H+](C)CC(=O)N2CCOCC2)c1O ZINC001140741806 799937849 /nfs/dbraw/zinc/93/78/49/799937849.db2.gz CNUWWIMYZHICES-UHFFFAOYSA-N 1 1 294.351 0.697 20 10 CCCDMO Cc1c(O)ccc(C[N@H+]2CC[C@](C)(CO)[C@H](O)C2)c1O ZINC001140743972 799938302 /nfs/dbraw/zinc/93/83/02/799938302.db2.gz GWPJSUWSWKLRHN-UKRRQHHQSA-N 1 1 281.352 0.971 20 10 CCCDMO COc1cc(O)c(C[N@@H+]2CCC[C@H]2C(N)=O)c(OC)c1 ZINC001141031904 799973999 /nfs/dbraw/zinc/97/39/99/799973999.db2.gz NNAOWUBKWIINPU-NSHDSACASA-N 1 1 280.324 0.859 20 10 CCCDMO COc1cc(O)c(C[N@H+]2CCC[C@H]2C(N)=O)c(OC)c1 ZINC001141031904 799974002 /nfs/dbraw/zinc/97/40/02/799974002.db2.gz NNAOWUBKWIINPU-NSHDSACASA-N 1 1 280.324 0.859 20 10 CCCDMO COC(=O)[C@@]12COC[C@@H]1C[N@@H+](Cc1cc(O)ccc1O)C2 ZINC001141155911 799984275 /nfs/dbraw/zinc/98/42/75/799984275.db2.gz ANZUDAHSTIHKGR-NHYWBVRUSA-N 1 1 293.319 0.719 20 10 CCCDMO O=C1NCC[C@@]12CC[N@H+](Cc1cc(O)ccc1O)C2 ZINC001141157857 799984428 /nfs/dbraw/zinc/98/44/28/799984428.db2.gz NPEUTBIYNKWEOF-AWEZNQCLSA-N 1 1 262.309 0.810 20 10 CCCDMO COc1cccc(C[NH+]2CC(N3CCOCC3)C2)c1O ZINC001203595789 803035421 /nfs/dbraw/zinc/03/54/21/803035421.db2.gz MMNNLFODRPUZNP-UHFFFAOYSA-N 1 1 278.352 0.917 20 10 CCCDMO C[C@]1(CO)C[N@@H+](Cc2ccc(O)c(O)c2)CC[C@H]1O ZINC001203875161 803049811 /nfs/dbraw/zinc/04/98/11/803049811.db2.gz JGBRXKBNKBNRHG-ZIAGYGMSSA-N 1 1 267.325 0.663 20 10 CCCDMO Nc1ccc(CC(=O)NC[C@H]2C[C@H]3CNCC[N@H+]3C2)cc1 ZINC001219765923 804418750 /nfs/dbraw/zinc/41/87/50/804418750.db2.gz IBYXMJSZDMNYHQ-HIFRSBDPSA-N 1 1 288.395 0.221 20 10 CCCDMO Nc1ccc(CC(=O)NC[C@H]2C[C@H]3C[NH2+]CCN3C2)cc1 ZINC001219765923 804418754 /nfs/dbraw/zinc/41/87/54/804418754.db2.gz IBYXMJSZDMNYHQ-HIFRSBDPSA-N 1 1 288.395 0.221 20 10 CCCDMO CN(C)c1ccc(C[N@@H+]2C[C@@H]3C(C(N)=O)=NO[C@@H]3C2)cc1 ZINC001276958392 805016799 /nfs/dbraw/zinc/01/67/99/805016799.db2.gz MSDVRPUUTBRTPU-QWHCGFSZSA-N 1 1 288.351 0.425 20 10 CCCDMO OC[C@@H]1C[N@H+](Cc2cc(F)c(F)cc2O)C[C@@H]1O ZINC001142509100 815069239 /nfs/dbraw/zinc/06/92/39/815069239.db2.gz WUJCOAXJNMMXKM-UFBFGSQYSA-N 1 1 259.252 0.455 20 10 CCCDMO OC[C@@H]1C[N@@H+](Cc2cc(F)c(F)cc2O)C[C@@H]1O ZINC001142509100 815069246 /nfs/dbraw/zinc/06/92/46/815069246.db2.gz WUJCOAXJNMMXKM-UFBFGSQYSA-N 1 1 259.252 0.455 20 10 CCCDMO C[N@H+]1CCC2(CN(C(=O)c3ccc(O)c(O)c3O)C2)C1 ZINC001270067562 813610357 /nfs/dbraw/zinc/61/03/57/813610357.db2.gz KSMWFAPWQDXQQU-UHFFFAOYSA-N 1 1 278.308 0.581 20 10 CCCDMO CCOc1cccc(C[N@H+]2CC[C@H](O)[C@@H](CO)C2)c1O ZINC001203602430 844313777 /nfs/dbraw/zinc/31/37/77/844313777.db2.gz WORDFQOQKPJAQG-OLZOCXBDSA-N 1 1 281.352 0.966 20 10 CCCDMO CC1(C)C(=O)NCC[N@H+]1Cc1c(O)cc(O)cc1O ZINC001144509272 840072742 /nfs/dbraw/zinc/07/27/42/840072742.db2.gz RKMDLFPXGSOKDI-UHFFFAOYSA-N 1 1 266.297 0.514 20 10 CCCDMO CC1(C)C(=O)NCC[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144509272 840072749 /nfs/dbraw/zinc/07/27/49/840072749.db2.gz RKMDLFPXGSOKDI-UHFFFAOYSA-N 1 1 266.297 0.514 20 10 CCCDMO CN(C)C(=O)CC[N@@H+](C)Cc1c(O)cc(O)cc1O ZINC001144514928 840076010 /nfs/dbraw/zinc/07/60/10/840076010.db2.gz YAXOLHWORBGVOY-UHFFFAOYSA-N 1 1 268.313 0.714 20 10 CCCDMO [NH3+]C[C@@]1(O)CCCN(Cc2cc(O)c(O)c(O)c2)CC1 ZINC001205239438 897707938 /nfs/dbraw/zinc/70/79/38/897707938.db2.gz BFIZMKCCGMUBGZ-CQSZACIVSA-N 1 1 282.340 0.479 20 10 CCCDMO CN1CCN(C2C[NH+](Cc3ccccc3O)C2)CC1=O ZINC001203557009 897744895 /nfs/dbraw/zinc/74/48/95/897744895.db2.gz YCBZKRYAZYFDIS-UHFFFAOYSA-N 1 1 275.352 0.350 20 10 CCCDMO O=C(NC[C@@H]1CCC[N@@H+]1CCCO)c1cccc(O)c1O ZINC001328025142 914931296 /nfs/dbraw/zinc/93/12/96/914931296.db2.gz CRZZROZKZMEDMD-NSHDSACASA-N 1 1 294.351 0.674 20 10 CCCDMO Nc1ccc(C[N@@H+]2CCN3C(=O)NC(=O)[C@H]3C2)cc1 ZINC001352789931 925641709 /nfs/dbraw/zinc/64/17/09/925641709.db2.gz LIJHSDWJCLTYGO-LLVKDONJSA-N 1 1 260.297 0.005 20 10 CCCDMO Nc1ccc(C[N@H+]2CCN3C(=O)NC(=O)[C@H]3C2)cc1 ZINC001352789931 925641716 /nfs/dbraw/zinc/64/17/16/925641716.db2.gz LIJHSDWJCLTYGO-LLVKDONJSA-N 1 1 260.297 0.005 20 10 CCCDMO CC(C)NC(=O)CN1CC[NH+](Cc2ccc(N)cc2)CC1 ZINC001352787999 925642417 /nfs/dbraw/zinc/64/24/17/925642417.db2.gz LGMCGGHRUCMUTJ-UHFFFAOYSA-N 1 1 290.411 0.911 20 10 CCCDMO COC(=O)[C@H]1C[C@H](O)C[N@@H+]1Cc1ccc(C)cc1O ZINC001352862766 925659745 /nfs/dbraw/zinc/65/97/45/925659745.db2.gz MKMQMNRQECOBJC-NWDGAFQWSA-N 1 1 265.309 0.809 20 10 CCCDMO COC(=O)[C@H]1C[C@H](O)C[N@H+]1Cc1ccc(C)cc1O ZINC001352862766 925659748 /nfs/dbraw/zinc/65/97/48/925659748.db2.gz MKMQMNRQECOBJC-NWDGAFQWSA-N 1 1 265.309 0.809 20 10 CCCDMO COC(=O)[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1ccccc1O ZINC000188788606 351629098 /nfs/dbraw/zinc/62/90/98/351629098.db2.gz SCKLWGYCABQREK-STQMWFEESA-N 1 1 265.309 0.891 20 10 CCCDMO COC(=O)[C@@H]1[C@@H](O)CCC[N@H+]1Cc1ccccc1O ZINC000188788606 351629102 /nfs/dbraw/zinc/62/91/02/351629102.db2.gz SCKLWGYCABQREK-STQMWFEESA-N 1 1 265.309 0.891 20 10 CCCDMO C[C@@H](O)C[N@@H+](CCO)Cc1ccc(N(C)C)cc1 ZINC000289361040 353687672 /nfs/dbraw/zinc/68/76/72/353687672.db2.gz AHKOAYCPEMPEAZ-GFCCVEGCSA-N 1 1 252.358 0.928 20 10 CCCDMO CCOc1ccc(O)c(C[N@@H+]2C[C@@H](C)O[C@H](C(N)=O)C2)c1 ZINC000092007935 389027532 /nfs/dbraw/zinc/02/75/32/389027532.db2.gz HVRHRYXWAAHYIF-YGRLFVJLSA-N 1 1 294.351 0.866 20 10 CCCDMO CCOc1ccc(O)c(C[N@H+]2C[C@@H](C)O[C@H](C(N)=O)C2)c1 ZINC000092007935 389027537 /nfs/dbraw/zinc/02/75/37/389027537.db2.gz HVRHRYXWAAHYIF-YGRLFVJLSA-N 1 1 294.351 0.866 20 10 CCCDMO C[N@@H+]1CCO[C@H](C(=O)NCCc2ccc(O)c(O)c2)C1 ZINC000122528728 389152521 /nfs/dbraw/zinc/15/25/21/389152521.db2.gz CZAQNMJIARWZCU-ZDUSSCGKSA-N 1 1 280.324 0.087 20 10 CCCDMO C[N@H+]1CCO[C@H](C(=O)NCCc2ccc(O)c(O)c2)C1 ZINC000122528728 389152524 /nfs/dbraw/zinc/15/25/24/389152524.db2.gz CZAQNMJIARWZCU-ZDUSSCGKSA-N 1 1 280.324 0.087 20 10 CCCDMO CNC(=O)[C@@H]1CCC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000133608083 389236837 /nfs/dbraw/zinc/23/68/37/389236837.db2.gz JPIBSZDSDIEXJP-JTQLQIEISA-N 1 1 278.308 0.831 20 10 CCCDMO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000274229273 328209887 /nfs/dbraw/zinc/20/98/87/328209887.db2.gz RRFRERWFEKLSFY-HZMBPMFUSA-N 1 1 294.351 0.476 20 10 CCCDMO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000274229273 328209888 /nfs/dbraw/zinc/20/98/88/328209888.db2.gz RRFRERWFEKLSFY-HZMBPMFUSA-N 1 1 294.351 0.476 20 10 CCCDMO CC[N@@H+]1CCO[C@@H](C(=O)NCc2ccc(OC)cc2O)C1 ZINC000366549387 521704894 /nfs/dbraw/zinc/70/48/94/521704894.db2.gz WJGBOHPSAQKMOB-CQSZACIVSA-N 1 1 294.351 0.738 20 10 CCCDMO CC[N@H+]1CCO[C@@H](C(=O)NCc2ccc(OC)cc2O)C1 ZINC000366549387 521704895 /nfs/dbraw/zinc/70/48/95/521704895.db2.gz WJGBOHPSAQKMOB-CQSZACIVSA-N 1 1 294.351 0.738 20 10 CCCDMO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3cc4c(cc3O)OCO4)C[C@@H]21 ZINC000793644896 581306410 /nfs/dbraw/zinc/30/64/10/581306410.db2.gz SHGAJKBAFOYPTE-MSRIBSCDSA-N 1 1 291.303 0.972 20 10 CCCDMO CN1CCN(c2ccc(C[NH2+]C[C@](C)(O)CO)cc2)CC1 ZINC000794748033 581386815 /nfs/dbraw/zinc/38/68/15/581386815.db2.gz GIDUUKCCTBWWTH-INIZCTEOSA-N 1 1 293.411 0.271 20 10 CCCDMO COc1cccc(C[N@@H+]2CCCNC(=O)C2)c1O ZINC000769116879 581673457 /nfs/dbraw/zinc/67/34/57/581673457.db2.gz WYEBZOMHNKIVNM-UHFFFAOYSA-N 1 1 250.298 0.723 20 10 CCCDMO COc1cccc(C[N@H+]2CCCNC(=O)C2)c1O ZINC000769116879 581673461 /nfs/dbraw/zinc/67/34/61/581673461.db2.gz WYEBZOMHNKIVNM-UHFFFAOYSA-N 1 1 250.298 0.723 20 10 CCCDMO COc1cccc(O)c1C[N@H+]1CCNC(=O)CC1 ZINC000769325890 581684344 /nfs/dbraw/zinc/68/43/44/581684344.db2.gz CKKGBUMNZUZGJJ-UHFFFAOYSA-N 1 1 250.298 0.723 20 10 CCCDMO COc1c(O)c(C[NH2+]C[C@@H]2COCCO2)ccc1[N+](=O)[O-] ZINC000774973669 582006724 /nfs/dbraw/zinc/00/67/24/582006724.db2.gz BYMDKZRLMMPFME-SNVBAGLBSA-N 1 1 298.295 0.814 20 10 CCCDMO CC[N@H+](CC(=O)NC)Cc1c(O)cccc1OC ZINC000768302656 582105436 /nfs/dbraw/zinc/10/54/36/582105436.db2.gz OVLKKXAUYACPFZ-UHFFFAOYSA-N 1 1 252.314 0.969 20 10 CCCDMO CC[N@@H+](CC(=O)NC)Cc1c(O)cccc1OC ZINC000768302656 582105437 /nfs/dbraw/zinc/10/54/37/582105437.db2.gz OVLKKXAUYACPFZ-UHFFFAOYSA-N 1 1 252.314 0.969 20 10 CCCDMO COc1cc(C)cc(C[N@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)c1O ZINC000894902413 617175515 /nfs/dbraw/zinc/17/55/15/617175515.db2.gz KKCAGMFRUIVUPA-PHIMTYICSA-N 1 1 290.319 0.414 20 10 CCCDMO COc1ccc(C[N@H+]2CC[C@H](O)[C@H](CO)C2)c(O)c1OC ZINC000894937876 617251173 /nfs/dbraw/zinc/25/11/73/617251173.db2.gz UHOKGDLOTYBKOI-RYUDHWBXSA-N 1 1 297.351 0.585 20 10 CCCDMO COc1cccc(C[N@H+]2C[C@H](O)C[C@]2(C)CO)c1O ZINC000895331685 617297898 /nfs/dbraw/zinc/29/78/98/617297898.db2.gz QCGRQRJUIZZPGR-BXUZGUMPSA-N 1 1 267.325 0.718 20 10 CCCDMO COC(=O)[C@@]1(O)CC[N@@H+](Cc2cc(OC)ccc2O)C1 ZINC000895702968 616561369 /nfs/dbraw/zinc/56/13/69/616561369.db2.gz IFSHTRVPPIACRG-CQSZACIVSA-N 1 1 281.308 0.511 20 10 CCCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CNOC2)c1 ZINC000925862579 616918342 /nfs/dbraw/zinc/91/83/42/616918342.db2.gz UYVFMYMJWKEAEU-WCBMZHEXSA-N 1 1 266.297 0.733 20 10 CCCDMO C[C@H](O)C[N@@H+](CCO)Cc1ccc(N2CCOCC2)cc1 ZINC000930509831 625341716 /nfs/dbraw/zinc/34/17/16/625341716.db2.gz NJJQYVBSUPAXJY-AWEZNQCLSA-N 1 1 294.395 0.698 20 10 CCCDMO COc1ccc(C[N@@H+](C[C@@H](O)CO)C(C)C)c(O)c1OC ZINC000894981545 631889307 /nfs/dbraw/zinc/88/93/07/631889307.db2.gz LYWVZJSUURHQNK-GFCCVEGCSA-N 1 1 299.367 0.973 20 10 CCCDMO C[C@@]1(CO)C[C@@H](O)C[N@@H+]1Cc1cc(F)cc(F)c1O ZINC000895323733 632056113 /nfs/dbraw/zinc/05/61/13/632056113.db2.gz GTZSDCJVIVOTOO-MFKMUULPSA-N 1 1 273.279 0.988 20 10 CCCDMO C[C@@]1(CO)C[C@@H](O)C[N@H+]1Cc1cc(F)cc(F)c1O ZINC000895323733 632056120 /nfs/dbraw/zinc/05/61/20/632056120.db2.gz GTZSDCJVIVOTOO-MFKMUULPSA-N 1 1 273.279 0.988 20 10 CCCDMO Cc1cccc(O)c1C[N@H+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC000897060809 632385720 /nfs/dbraw/zinc/38/57/20/632385720.db2.gz IAJNRPKZQKJZJE-LLVKDONJSA-N 1 1 284.381 0.811 20 10 CCCDMO COc1cccc(CNC(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)c1O ZINC000901128342 634193308 /nfs/dbraw/zinc/19/33/08/634193308.db2.gz XLWZTYBGPUTTKK-XHDPSFHLSA-N 1 1 294.351 0.472 20 10 CCCDMO Oc1cc2c(cc1C[N@@H+]1C[C@@H]3COC[C@H](C1)O3)[C@@H](O)CO2 ZINC000800864029 640623525 /nfs/dbraw/zinc/62/35/25/640623525.db2.gz NJSOADDHHSOGMS-WDMOLILDSA-N 1 1 293.319 0.418 20 10 CCCDMO Oc1cc2c(cc1C[N@H+]1C[C@@H]3COC[C@H](C1)O3)[C@@H](O)CO2 ZINC000800864029 640623528 /nfs/dbraw/zinc/62/35/28/640623528.db2.gz NJSOADDHHSOGMS-WDMOLILDSA-N 1 1 293.319 0.418 20 10 CCCDMO C[N@H+]1CC[C@](O)(CNC(=O)c2c(F)ccc(O)c2O)C1 ZINC000828505284 642100623 /nfs/dbraw/zinc/10/06/23/642100623.db2.gz MBFRKTUGSRAZMD-ZDUSSCGKSA-N 1 1 284.287 0.033 20 10 CCCDMO O=C(c1cccc(O)c1O)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000861715889 644916300 /nfs/dbraw/zinc/91/63/00/644916300.db2.gz RAUCNGAOIPEVKQ-WDEREUQCSA-N 1 1 292.335 0.379 20 10 CCCDMO Cc1ccc(O)c(CNC(=O)CN2CC[NH+](C)CC2)c1 ZINC000862760965 645034979 /nfs/dbraw/zinc/03/49/79/645034979.db2.gz YBOVQESHLJHJRF-UHFFFAOYSA-N 1 1 277.368 0.564 20 10 CCCDMO Cc1cccc(O)c1C[N@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000877168450 646745412 /nfs/dbraw/zinc/74/54/12/646745412.db2.gz UTYIIGHZEPSOHD-LLVKDONJSA-N 1 1 275.308 0.437 20 10 CCCDMO COc1cc(C[N@H+]2CCOC[C@@H](O)C2)c(O)cc1O ZINC001231634301 805823638 /nfs/dbraw/zinc/82/36/38/805823638.db2.gz KXLSWXPUFOTZJN-JTQLQIEISA-N 1 1 269.297 0.300 20 10 CCCDMO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3cc(OC)c(O)cc3O)C[C@@H]21 ZINC001231637162 805825406 /nfs/dbraw/zinc/82/54/06/805825406.db2.gz GSNWPAVQYWUTGE-MSRIBSCDSA-N 1 1 293.319 0.957 20 10 CCCDMO CN(C)c1ccc(C[N@H+]2C[C@H](O)[C@@H](CO)C2)c(O)c1 ZINC001232836238 805986554 /nfs/dbraw/zinc/98/65/54/805986554.db2.gz MELKKYYHXBQQOM-RISCZKNCSA-N 1 1 266.341 0.243 20 10 CCCDMO CC[N@@H+](CCC(N)=O)Cc1cc(O)c(O)cc1O ZINC001233484918 806061967 /nfs/dbraw/zinc/06/19/67/806061967.db2.gz CGBFIQRZSTWIDV-UHFFFAOYSA-N 1 1 254.286 0.501 20 10 CCCDMO COc1cc(O)c(C[N@H+]2CCOC[C@@](C)(O)C2)cc1OC ZINC001236750313 806606738 /nfs/dbraw/zinc/60/67/38/806606738.db2.gz QXPGCJFMBYHLNM-HNNXBMFYSA-N 1 1 297.351 0.993 20 10 CCCDMO COc1cc(O)c(C[N@H+]2C[C@@H](O)[C@H](CO)C2)cc1OC ZINC001236749541 806607123 /nfs/dbraw/zinc/60/71/23/806607123.db2.gz JVESOFJIKISQGT-CMPLNLGQSA-N 1 1 283.324 0.194 20 10 CCCDMO OC[C@H]1CC[N@H+](Cc2cccc(F)c2O)C[C@@H]1O ZINC001138124033 799703203 /nfs/dbraw/zinc/70/32/03/799703203.db2.gz VZAYOFILSWZQKO-PWSUYJOCSA-N 1 1 255.289 0.706 20 10 CCCDMO OC[C@H]1CC[N@@H+](Cc2cccc(F)c2O)C[C@@H]1O ZINC001138124033 799703206 /nfs/dbraw/zinc/70/32/06/799703206.db2.gz VZAYOFILSWZQKO-PWSUYJOCSA-N 1 1 255.289 0.706 20 10 CCCDMO OC[C@@H]1C[N@H+](Cc2cccc(F)c2O)CC[C@H]1O ZINC001138123824 799703383 /nfs/dbraw/zinc/70/33/83/799703383.db2.gz NNRBBMYSCOCQTO-CMPLNLGQSA-N 1 1 255.289 0.706 20 10 CCCDMO OC[C@@H]1C[N@@H+](Cc2cccc(F)c2O)CC[C@H]1O ZINC001138123824 799703385 /nfs/dbraw/zinc/70/33/85/799703385.db2.gz NNRBBMYSCOCQTO-CMPLNLGQSA-N 1 1 255.289 0.706 20 10 CCCDMO Cc1c(O)ccc(C[N@H+]2CC[C@H](O)[C@@](C)(CO)C2)c1O ZINC001140744215 799937339 /nfs/dbraw/zinc/93/73/39/799937339.db2.gz PSWIKUXPZIFYEB-DZGCQCFKSA-N 1 1 281.352 0.971 20 10 CCCDMO CNC(=O)N1CC[NH+](Cc2ccc(O)c(C)c2O)CC1 ZINC001140748289 799939696 /nfs/dbraw/zinc/93/96/96/799939696.db2.gz VIDXBUHYFDMMDP-UHFFFAOYSA-N 1 1 279.340 0.863 20 10 CCCDMO COc1cc(O)c(C[N@H+]2CC[C@@H](O)[C@@H](CO)C2)c(OC)c1 ZINC001141031900 799974138 /nfs/dbraw/zinc/97/41/38/799974138.db2.gz NMHTVKWUUUXTBL-ZWNOBZJWSA-N 1 1 297.351 0.585 20 10 CCCDMO O=C1OC[C@H]2C[N@H+](Cc3cc(O)ccc3O)CCN12 ZINC001141160039 799987286 /nfs/dbraw/zinc/98/72/86/799987286.db2.gz PPMDPRNHJNVLNK-SNVBAGLBSA-N 1 1 264.281 0.734 20 10 CCCDMO O=C1OC[C@H]2C[N@@H+](Cc3cc(O)ccc3O)CCN12 ZINC001141160039 799987291 /nfs/dbraw/zinc/98/72/91/799987291.db2.gz PPMDPRNHJNVLNK-SNVBAGLBSA-N 1 1 264.281 0.734 20 10 CCCDMO COc1ccc(O)c(C[N@H+]2CC[C@@H](O)[C@@H](CO)C2)c1 ZINC001203670497 803041329 /nfs/dbraw/zinc/04/13/29/803041329.db2.gz SGBAALLTBDFDDW-BXUZGUMPSA-N 1 1 267.325 0.576 20 10 CCCDMO COc1ccc(CN2CC[C@@H]([NH3+])[C@H](O)C2)c(O)c1Cl ZINC001205973261 803194049 /nfs/dbraw/zinc/19/40/49/803194049.db2.gz MRBZSSRKRVJSTH-NXEZZACHSA-N 1 1 286.759 0.948 20 10 CCCDMO CCOc1cccc(CN2C[C@@H](O)[C@@H](C[NH3+])C2)c1O ZINC001206464601 803247111 /nfs/dbraw/zinc/24/71/11/803247111.db2.gz QWUYJOWFJCJQDS-NWDGAFQWSA-N 1 1 266.341 0.542 20 10 CCCDMO COc1cc(C(=O)NC2C[NH+](CC3CC3)C2)cc(OC)n1 ZINC001030612419 816147625 /nfs/dbraw/zinc/14/76/25/816147625.db2.gz OFWIERKDXFYLIK-UHFFFAOYSA-N 1 1 291.351 0.923 20 10 CCCDMO CNS(=O)(=O)CC[NH2+]Cc1cc(F)cc(F)c1O ZINC000708466328 819775963 /nfs/dbraw/zinc/77/59/63/819775963.db2.gz QGDFEOAVMYOGDV-UHFFFAOYSA-N 1 1 280.296 0.309 20 10 CCCDMO COc1ccc(C[N@H+]2CC[C@@](C)(CO)[C@@H](O)C2)c(O)c1 ZINC001203620985 844437668 /nfs/dbraw/zinc/43/76/68/844437668.db2.gz LXZWTRHQSDVESB-GJZGRUSLSA-N 1 1 281.352 0.966 20 10 CCCDMO COC(=O)[C@@H]1C[N@@H+](Cc2c(O)cc(O)cc2O)CCCO1 ZINC001144515908 840074967 /nfs/dbraw/zinc/07/49/67/840074967.db2.gz IUZXPSALOVVIBZ-ZDUSSCGKSA-N 1 1 297.307 0.567 20 10 CCCDMO COC[C@@H]1COCC[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144516100 840075168 /nfs/dbraw/zinc/07/51/68/840075168.db2.gz PKJZSIPSHJVIPY-SECBINFHSA-N 1 1 269.297 0.651 20 10 CCCDMO COC[C@@H]1COCC[N@H+]1Cc1c(O)cc(O)cc1O ZINC001144516100 840075173 /nfs/dbraw/zinc/07/51/73/840075173.db2.gz PKJZSIPSHJVIPY-SECBINFHSA-N 1 1 269.297 0.651 20 10 CCCDMO COc1cc(C)cc(C[N@H+]2C[C@@H](O)C[C@H]2CO)c1O ZINC001119445770 856687593 /nfs/dbraw/zinc/68/75/93/856687593.db2.gz PRCRPCHYMLSFOK-RYUDHWBXSA-N 1 1 267.325 0.637 20 10 CCCDMO CN1C[C@]2(CC[N@@H+](Cc3ccc(O)c(O)c3)C2)OCC1=O ZINC001272903063 898146709 /nfs/dbraw/zinc/14/67/09/898146709.db2.gz LEZSXLIMNCLDDH-HNNXBMFYSA-N 1 1 292.335 0.531 20 10 CCCDMO COc1cccc(O)c1C[N@H+](C)CCNS(C)(=O)=O ZINC001319823561 910309930 /nfs/dbraw/zinc/30/99/30/910309930.db2.gz OYNHRZYACLWZSP-UHFFFAOYSA-N 1 1 288.369 0.382 20 10 CCCDMO COc1cccc(O)c1C[N@@H+](C)CCNS(C)(=O)=O ZINC001319823561 910309940 /nfs/dbraw/zinc/30/99/40/910309940.db2.gz OYNHRZYACLWZSP-UHFFFAOYSA-N 1 1 288.369 0.382 20 10 CCCDMO Nc1ccc(C[N@H+]2CCC[C@@H](S(N)(=O)=O)C2)cc1 ZINC001334773959 919755446 /nfs/dbraw/zinc/75/54/46/919755446.db2.gz BHWHOLJICVOUFO-GFCCVEGCSA-N 1 1 269.370 0.522 20 10 CCCDMO Nc1ccc(CNC(=O)NCC[N@H+]2CC[C@H](O)C2)cc1 ZINC001357792517 926598315 /nfs/dbraw/zinc/59/83/15/926598315.db2.gz ZZPIKJDVDNLJCG-ZDUSSCGKSA-N 1 1 278.356 0.135 20 10 CCCDMO C[N@@H+](CCOCCO)Cc1ccc(N2CCOCC2)cc1 ZINC000172619941 350999888 /nfs/dbraw/zinc/99/98/88/350999888.db2.gz GCMYQIVHKNFVJP-UHFFFAOYSA-N 1 1 294.395 0.964 20 10 CCCDMO COc1ccc(O)c(C[N@@H+]2CCO[C@H](CO)C2)c1 ZINC000271702710 353034715 /nfs/dbraw/zinc/03/47/15/353034715.db2.gz DIOKNIQPAMENMA-LBPRGKRZSA-N 1 1 253.298 0.594 20 10 CCCDMO COc1ccc(O)c(C[N@H+]2CCO[C@H](CO)C2)c1 ZINC000271702710 353034716 /nfs/dbraw/zinc/03/47/16/353034716.db2.gz DIOKNIQPAMENMA-LBPRGKRZSA-N 1 1 253.298 0.594 20 10 CCCDMO CCN(CCO)CC[NH2+]Cc1cccc(F)c1O ZINC000274392180 353125121 /nfs/dbraw/zinc/12/51/21/353125121.db2.gz DHYVBPOQWCCWIB-UHFFFAOYSA-N 1 1 256.321 0.935 20 10 CCCDMO Oc1cc2c(cc1C[N@H+]1CCN3CCOC[C@H]3C1)OCO2 ZINC000368813463 357338404 /nfs/dbraw/zinc/33/84/04/357338404.db2.gz GVBSYXTYNDYMMB-GFCCVEGCSA-N 1 1 292.335 0.637 20 10 CCCDMO COc1cccc(C[N@H+]2CCOC[C@@H](O)C2)c1O ZINC000294774307 199176749 /nfs/dbraw/zinc/17/67/49/199176749.db2.gz KNBNQZDDGBJTLT-NSHDSACASA-N 1 1 253.298 0.594 20 10 CCCDMO O=C1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)CCN1 ZINC000093101636 389035088 /nfs/dbraw/zinc/03/50/88/389035088.db2.gz NBVKJCULEQKXDF-UHFFFAOYSA-N 1 1 289.379 0.845 20 10 CCCDMO CCOc1ccc(O)c(C[N@H+]2C[C@H](O)C[C@H]2CO)c1 ZINC000359973044 389187408 /nfs/dbraw/zinc/18/74/08/389187408.db2.gz HXWBQISJETXQHG-NWDGAFQWSA-N 1 1 267.325 0.718 20 10 CCCDMO CN(C)c1ccc(CNC(=O)C[N@@H+](C)CCCO)cc1 ZINC000281941247 389637738 /nfs/dbraw/zinc/63/77/38/389637738.db2.gz TYXDPGFKUCHJRX-UHFFFAOYSA-N 1 1 279.384 0.683 20 10 CCCDMO Cc1cccc(C[N@H+]2CC[C@@H](NS(C)(=O)=O)C2)c1O ZINC000180333460 389669170 /nfs/dbraw/zinc/66/91/70/389669170.db2.gz AADYJBWVBGEPQE-GFCCVEGCSA-N 1 1 284.381 0.824 20 10 CCCDMO C[C@H]1C[N@H+](Cc2ccccc2O)CCN1S(C)(=O)=O ZINC000180906982 389677750 /nfs/dbraw/zinc/67/77/50/389677750.db2.gz OYDBPFHNBISMKR-NSHDSACASA-N 1 1 284.381 0.858 20 10 CCCDMO C[C@H]1C[N@@H+](Cc2ccccc2O)CCN1S(C)(=O)=O ZINC000180906982 389677751 /nfs/dbraw/zinc/67/77/51/389677751.db2.gz OYDBPFHNBISMKR-NSHDSACASA-N 1 1 284.381 0.858 20 10 CCCDMO COc1c(O)c(C[NH2+]CCCNC(C)=O)ccc1[N+](=O)[O-] ZINC000278565155 328227428 /nfs/dbraw/zinc/22/74/28/328227428.db2.gz BTKYEEBGKJZFFO-UHFFFAOYSA-N 1 1 297.311 0.925 20 10 CCCDMO COc1cccc(O)c1C[N@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000785984052 581425892 /nfs/dbraw/zinc/42/58/92/581425892.db2.gz CMUJPYHBMQSZAY-SECBINFHSA-N 1 1 286.353 0.264 20 10 CCCDMO CNC(=O)CCC[N@@H+](C)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768462435 582107212 /nfs/dbraw/zinc/10/72/12/582107212.db2.gz LJZHSALKHNZGTL-CYBMUJFWSA-N 1 1 294.351 0.776 20 10 CCCDMO C[C@@H](NC(=O)C[N@H+](C)Cc1ccccc1O)C(=O)N(C)C ZINC000111235434 617191777 /nfs/dbraw/zinc/19/17/77/617191777.db2.gz YHXBXHVJVLEAQX-LLVKDONJSA-N 1 1 293.367 0.417 20 10 CCCDMO C[C@@H](NC(=O)C[N@@H+](C)Cc1ccccc1O)C(=O)N(C)C ZINC000111235434 617191779 /nfs/dbraw/zinc/19/17/79/617191779.db2.gz YHXBXHVJVLEAQX-LLVKDONJSA-N 1 1 293.367 0.417 20 10 CCCDMO COc1ccc(C[N@@H+](C)CCNC(C)=O)c(O)c1OC ZINC000895109319 617247879 /nfs/dbraw/zinc/24/78/79/617247879.db2.gz ODZUIPLPUDGQSB-UHFFFAOYSA-N 1 1 282.340 0.977 20 10 CCCDMO COc1ccc(N(C)CC[N@@H+](C)CCn2cnnn2)cc1 ZINC000878805978 617267111 /nfs/dbraw/zinc/26/71/11/617267111.db2.gz VPOKFUJMCAIJOG-UHFFFAOYSA-N 1 1 290.371 0.750 20 10 CCCDMO COc1ccc(O)c(C[N@@H+](C)[C@]2(CO)CCOC2)c1 ZINC000862427142 617272503 /nfs/dbraw/zinc/27/25/03/617272503.db2.gz UPWUGYXNZJMYJD-AWEZNQCLSA-N 1 1 267.325 0.984 20 10 CCCDMO COc1cccc(O)c1C[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000877719632 617305290 /nfs/dbraw/zinc/30/52/90/617305290.db2.gz CMJGMTFBPGSJFJ-AOOOYVTPSA-N 1 1 290.319 0.447 20 10 CCCDMO CC(=O)c1cc(F)cc(C[N@H+]2C[C@H](CO)[C@H](CO)C2)c1O ZINC000879694241 614249310 /nfs/dbraw/zinc/24/93/10/614249310.db2.gz YCDZLEZERSQYTL-TXEJJXNPSA-N 1 1 297.326 0.767 20 10 CCCDMO CCc1cccc(C[N@H+]2CCN3C(=O)NC(=O)[C@H]3C2)c1O ZINC000848900790 615683019 /nfs/dbraw/zinc/68/30/19/615683019.db2.gz JZHTWMKSHSXHSV-GFCCVEGCSA-N 1 1 289.335 0.691 20 10 CCCDMO CCc1cccc(C[NH2+]Cc2nnc3c(=O)[nH]ccn23)c1O ZINC000895789541 615683251 /nfs/dbraw/zinc/68/32/51/615683251.db2.gz CIZFIZKRXOBKHH-UHFFFAOYSA-N 1 1 299.334 0.975 20 10 CCCDMO CN(C)c1ccc(C[N@@H+]2CCO[C@H](CC(N)=O)C2)cc1 ZINC000860012900 616014358 /nfs/dbraw/zinc/01/43/58/616014358.db2.gz WNJJPVIDDCUSMZ-CQSZACIVSA-N 1 1 277.368 0.829 20 10 CCCDMO CN(C)c1ccc(C[N@H+]2CCO[C@H](CC(N)=O)C2)cc1 ZINC000860012900 616014360 /nfs/dbraw/zinc/01/43/60/616014360.db2.gz WNJJPVIDDCUSMZ-CQSZACIVSA-N 1 1 277.368 0.829 20 10 CCCDMO CN(C)c1ccc(C[N@@H+]2CCOC[C@H]2CC(N)=O)cc1 ZINC000825321249 616014470 /nfs/dbraw/zinc/01/44/70/616014470.db2.gz AUJWWDMGBPENLE-CQSZACIVSA-N 1 1 277.368 0.829 20 10 CCCDMO CN(C)c1ccc(C[N@H+]2CCOC[C@H]2CC(N)=O)cc1 ZINC000825321249 616014473 /nfs/dbraw/zinc/01/44/73/616014473.db2.gz AUJWWDMGBPENLE-CQSZACIVSA-N 1 1 277.368 0.829 20 10 CCCDMO CN(C)c1ccc(CNC(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)cc1 ZINC000899983321 616015722 /nfs/dbraw/zinc/01/57/22/616015722.db2.gz PCOIFRAQCAPZQX-GOEBONIOSA-N 1 1 291.395 0.824 20 10 CCCDMO CN(Cc1ccccc1O)C(=O)CN1CC[NH+](C)CC1 ZINC000109952561 616239340 /nfs/dbraw/zinc/23/93/40/616239340.db2.gz GUPBOBABIBBODW-UHFFFAOYSA-N 1 1 277.368 0.598 20 10 CCCDMO C[N@H+]1CC[C@@H]1CNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000928554646 616284557 /nfs/dbraw/zinc/28/45/57/616284557.db2.gz JJWJGDRFVSGOMR-JOAKQRRISA-N 1 1 262.309 0.931 20 10 CCCDMO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](Cc2cccc(OC)c2O)C1 ZINC000843435527 616424235 /nfs/dbraw/zinc/42/42/35/616424235.db2.gz VNXBUSYBTWVGHF-VXGBXAGGSA-N 1 1 295.335 0.757 20 10 CCCDMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCc1ccc(O)c(O)c1 ZINC000901132169 616477618 /nfs/dbraw/zinc/47/76/18/616477618.db2.gz RTAQHFBMWCPGLH-YGRLFVJLSA-N 1 1 280.324 0.169 20 10 CCCDMO COCC(=O)N1CC[NH+](Cc2ccc(C)cc2O)CC1 ZINC000876567149 616582658 /nfs/dbraw/zinc/58/26/58/616582658.db2.gz 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QAFMYGHACGFYSY-CYBMUJFWSA-N 1 1 294.326 0.883 20 10 CCCDMO Cc1cc(F)cc(C[N@H+]2CCN3C(=O)COC[C@H]3C2)c1O ZINC001238070854 806746616 /nfs/dbraw/zinc/74/66/16/806746616.db2.gz QAFMYGHACGFYSY-CYBMUJFWSA-N 1 1 294.326 0.883 20 10 CCCDMO OC[C@@H]1CC[N@H+](Cc2cccc(F)c2O)C[C@@H]1O ZINC001138124032 799702621 /nfs/dbraw/zinc/70/26/21/799702621.db2.gz VZAYOFILSWZQKO-JQWIXIFHSA-N 1 1 255.289 0.706 20 10 CCCDMO OC[C@@H]1CC[N@@H+](Cc2cccc(F)c2O)C[C@@H]1O ZINC001138124032 799702627 /nfs/dbraw/zinc/70/26/27/799702627.db2.gz VZAYOFILSWZQKO-JQWIXIFHSA-N 1 1 255.289 0.706 20 10 CCCDMO CN1CCCc2cc(C[N@@H+]3CCO[C@H](C(N)=O)C3)ccc21 ZINC001138355828 799723314 /nfs/dbraw/zinc/72/33/14/799723314.db2.gz DTBPLBAYSAWKDO-HNNXBMFYSA-N 1 1 289.379 0.755 20 10 CCCDMO CN1CCCc2cc(C[N@H+]3CCO[C@H](C(N)=O)C3)ccc21 ZINC001138355828 799723316 /nfs/dbraw/zinc/72/33/16/799723316.db2.gz DTBPLBAYSAWKDO-HNNXBMFYSA-N 1 1 289.379 0.755 20 10 CCCDMO Cc1ccc(O)c(C[N@H+]2CC[C@H](O)[C@@H](CO)C2)c1 ZINC001140619459 799924953 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CCOc1cccc(C[N@@H+](C)C[C@@H](O)CO)c1O ZINC001203603648 803036589 /nfs/dbraw/zinc/03/65/89/803036589.db2.gz VFOYOSNULZOPKK-LLVKDONJSA-N 1 1 255.314 0.576 20 10 CCCDMO COc1ccc(C[NH+]2CC(N3CCNC(=O)C3)C2)c(O)c1 ZINC001203627620 803038215 /nfs/dbraw/zinc/03/82/15/803038215.db2.gz LYIRJGZYKJCKPK-UHFFFAOYSA-N 1 1 291.351 0.017 20 10 CCCDMO COc1ccc(O)c(C[NH+]2CC(N3CCNC(=O)C3)C2)c1 ZINC001203678609 803040866 /nfs/dbraw/zinc/04/08/66/803040866.db2.gz OBUWWLPVEUJHES-UHFFFAOYSA-N 1 1 291.351 0.017 20 10 CCCDMO COc1ccc(O)c(C[NH+]2CC(N(C)C3COC3)C2)c1 ZINC001203677918 803041819 /nfs/dbraw/zinc/04/18/19/803041819.db2.gz AIDJXQWYVASCLK-UHFFFAOYSA-N 1 1 278.352 0.916 20 10 CCCDMO COc1cc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc(O)c1O ZINC001204340392 803078759 /nfs/dbraw/zinc/07/87/59/803078759.db2.gz PGYQHRGJPCWARI-JTQLQIEISA-N 1 1 280.324 0.804 20 10 CCCDMO C[N@@H+]1C[C@H]2C[C@@H](C1)N2Cc1cc(O)c(O)c(O)c1 ZINC001276829981 804899565 /nfs/dbraw/zinc/89/95/65/804899565.db2.gz DWUNOKOJXQDXSP-AOOOYVTPSA-N 1 1 250.298 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WTHFEMWHSODPIE-UHFFFAOYSA-N 1 1 279.340 0.009 20 10 CCCDMO CO[C@@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000697268573 814757585 /nfs/dbraw/zinc/75/75/85/814757585.db2.gz AHIXRVPXHAAKDE-ZIAGYGMSSA-N 1 1 298.408 0.654 20 10 CCCDMO C[C@@]1(CO)C[N@@H+](Cc2cc(O)c(O)cc2O)CC[C@@H]1O ZINC001233482867 816325057 /nfs/dbraw/zinc/32/50/57/816325057.db2.gz FOVBKXPSYKIZLI-KBPBESRZSA-N 1 1 283.324 0.369 20 10 CCCDMO O=C(C[NH2+]Cc1cc(F)cc(F)c1O)N1CCOCC1 ZINC000708393550 819775121 /nfs/dbraw/zinc/77/51/21/819775121.db2.gz HANMQWRMGKQSIC-UHFFFAOYSA-N 1 1 286.278 0.619 20 10 CCCDMO Oc1cc(O)c(C[N@H+]2CCN3CCOC[C@@H]3C2)c(O)c1 ZINC001144504563 840069631 /nfs/dbraw/zinc/06/96/31/840069631.db2.gz VHDFBEMRXXCZFK-JTQLQIEISA-N 1 1 280.324 0.320 20 10 CCCDMO CN1CCO[C@H]2C[N@@H+](Cc3c(O)cc(O)cc3O)C[C@H]21 ZINC001144510441 840073090 /nfs/dbraw/zinc/07/30/90/840073090.db2.gz YXGMWLHUJQUYQD-RISCZKNCSA-N 1 1 280.324 0.318 20 10 CCCDMO CC(=O)N(C)[C@H]1CC[N@@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144515684 840075786 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ZINC000050926874 348481347 /nfs/dbraw/zinc/48/13/47/348481347.db2.gz DGGXGJOJQQJALQ-ZDUSSCGKSA-N 1 1 264.325 0.695 20 10 CCCDMO CCN1CCN(c2ccc(CNC(=O)C[NH3+])cc2F)CC1 ZINC000269292974 352830916 /nfs/dbraw/zinc/83/09/16/352830916.db2.gz MDEDDLSMGFLIOU-UHFFFAOYSA-N 1 1 294.374 0.543 20 10 CCCDMO COc1cccc(C[N@H+]2CCOC[C@H](O)C2)c1O ZINC000294774303 199176760 /nfs/dbraw/zinc/17/67/60/199176760.db2.gz KNBNQZDDGBJTLT-LLVKDONJSA-N 1 1 253.298 0.594 20 10 CCCDMO O=C1NC(=O)[C@@]2(CCC[N@H+](Cc3cc(F)ccc3O)C2)N1 ZINC000193467397 389070677 /nfs/dbraw/zinc/07/06/77/389070677.db2.gz IWPKRWDVWUIUDN-AWEZNQCLSA-N 1 1 293.298 0.705 20 10 CCCDMO C[N@H+]1CC[C@@H](CNC(=O)c2cccc(O)c2O)C1 ZINC000126272475 389168890 /nfs/dbraw/zinc/16/88/90/389168890.db2.gz TVYGDUBCMQGYPA-VIFPVBQESA-N 1 1 250.298 0.779 20 10 CCCDMO Cc1ccc(O)c(C[N@H+]2CC[C@@H]3OCC(=O)N[C@H]3C2)c1 ZINC000366785054 389310192 /nfs/dbraw/zinc/31/01/92/389310192.db2.gz UYVDDDJUDCDLJU-JSGCOSHPSA-N 1 1 276.336 0.790 20 10 CCCDMO Cc1ccc(C(=O)NCCC[NH+]2CCOCC2)c(O)c1O ZINC000177660637 389588778 /nfs/dbraw/zinc/58/87/78/389588778.db2.gz LJAQQGLKJKZZKM-UHFFFAOYSA-N 1 1 294.351 0.858 20 10 CCCDMO COc1cc(O)c(C[N@H+]2CC[C@H](O)C2)cc1OC ZINC000179713325 389662261 /nfs/dbraw/zinc/66/22/61/389662261.db2.gz WHYQRBYORVZIGP-JTQLQIEISA-N 1 1 253.298 0.976 20 10 CCCDMO O=C1NC[C@@H]2C[N@H+](Cc3cc(F)ccc3O)CCN12 ZINC000180255699 389668189 /nfs/dbraw/zinc/66/81/89/389668189.db2.gz YAFVVYKUUUAWOR-LLVKDONJSA-N 1 1 265.288 0.741 20 10 CCCDMO O=C1NC[C@@H]2C[N@@H+](Cc3cc(F)ccc3O)CCN12 ZINC000180255699 389668191 /nfs/dbraw/zinc/66/81/91/389668191.db2.gz YAFVVYKUUUAWOR-LLVKDONJSA-N 1 1 265.288 0.741 20 10 CCCDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CCC[C@H]2CO)cc1 ZINC000270942352 328194095 /nfs/dbraw/zinc/19/40/95/328194095.db2.gz MYHCUBWMSIHPFS-HNNXBMFYSA-N 1 1 291.395 0.826 20 10 CCCDMO CC[N@@H+]1CCO[C@H](C(=O)NCCc2ccc(N)cc2)C1 ZINC000236900238 521708064 /nfs/dbraw/zinc/70/80/64/521708064.db2.gz DKBVNZSSHUJNIV-AWEZNQCLSA-N 1 1 277.368 0.648 20 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FHUJFUNPKBAZMO-LLVKDONJSA-N 1 1 275.308 0.437 20 10 CCCDMO COC(=O)[C@](C)(O)C[N@@H+](C)Cc1ccccc1O ZINC000788020730 581370377 /nfs/dbraw/zinc/37/03/77/581370377.db2.gz SRFTXQWMQYZXBZ-CYBMUJFWSA-N 1 1 253.298 0.748 20 10 CCCDMO Cc1ccc(O)c(C[N@H+]2CC[C@H](S(N)(=O)=O)C2)c1 ZINC000785984485 581597730 /nfs/dbraw/zinc/59/77/30/581597730.db2.gz GHCLLOKNTCDXQR-NSHDSACASA-N 1 1 270.354 0.563 20 10 CCCDMO COc1cc(O)c(C[N@@H+](C)[C@@H]2CCNC2=O)cc1OC ZINC000768464918 582107146 /nfs/dbraw/zinc/10/71/46/582107146.db2.gz GJIZHYSFEAMLOQ-SNVBAGLBSA-N 1 1 280.324 0.730 20 10 CCCDMO COc1cc(C)cc(C[N@@H+](CCO)CCCO)c1O ZINC000894022231 617175143 /nfs/dbraw/zinc/17/51/43/617175143.db2.gz VVWRGGKYWLTXQT-UHFFFAOYSA-N 1 1 269.341 0.886 20 10 CCCDMO COc1cc(O)c(C[N@H+]2C[C@H](O)C[C@]2(C)CO)cc1OC ZINC000895329362 617207772 /nfs/dbraw/zinc/20/77/72/617207772.db2.gz JIFYGFQBAWZRQH-IAQYHMDHSA-N 1 1 297.351 0.727 20 10 CCCDMO COc1cccc(CNC(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)c1O ZINC000901128340 617299113 /nfs/dbraw/zinc/29/91/13/617299113.db2.gz XLWZTYBGPUTTKK-IAQYHMDHSA-N 1 1 294.351 0.472 20 10 CCCDMO CC(C)(O)C[N@H+]1CC[C@H](NC(=O)c2cccc(O)c2O)C1 ZINC000869779253 614191276 /nfs/dbraw/zinc/19/12/76/614191276.db2.gz WEKNINVUANNHSQ-JTQLQIEISA-N 1 1 294.351 0.673 20 10 CCCDMO CCC[NH+]1CCN(C(=O)C(=O)Nc2ccc(N)cc2)CC1 ZINC000841019388 614684286 /nfs/dbraw/zinc/68/42/86/614684286.db2.gz JRCQWNLENZITHO-UHFFFAOYSA-N 1 1 290.367 0.762 20 10 CCCDMO CCOc1ccc(CN(C)C[C@@H](O)C[NH3+])c(O)c1 ZINC000841091626 615510016 /nfs/dbraw/zinc/51/00/16/615510016.db2.gz CFFKXIRNOBQHOD-NSHDSACASA-N 1 1 254.330 0.542 20 10 CCCDMO CCOc1cccc(C[NH+]2CC(O)(COC)C2)c1O ZINC000839142890 615515862 /nfs/dbraw/zinc/51/58/62/615515862.db2.gz KGMCIAUNNGFBEU-UHFFFAOYSA-N 1 1 267.325 0.984 20 10 CCCDMO CN(C)c1ccc(C[N@H+]2CCC(CO)(CO)C2)cc1 ZINC000852629467 616013847 /nfs/dbraw/zinc/01/38/47/616013847.db2.gz BXBPASHKPROOEN-UHFFFAOYSA-N 1 1 264.369 0.929 20 10 CCCDMO C[N@H+](CCNC(=O)C1=CC(=O)CS1)CCOCCO ZINC000922112409 616095762 /nfs/dbraw/zinc/09/57/62/616095762.db2.gz DPWBVAKWNNGQAV-UHFFFAOYSA-N 1 1 288.369 0.124 20 10 CCCDMO C[N@@H+](CCNC(=O)C1=CC(=O)CS1)CCOCCO ZINC000922112409 616095763 /nfs/dbraw/zinc/09/57/63/616095763.db2.gz DPWBVAKWNNGQAV-UHFFFAOYSA-N 1 1 288.369 0.124 20 10 CCCDMO C[N@H+]1C[C@H](O)C[C@H]1CNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000924990483 616480267 /nfs/dbraw/zinc/48/02/67/616480267.db2.gz VXWKHQXUUANTAH-UHOOHFNOSA-N 1 1 292.335 0.292 20 10 CCCDMO CNC(=O)C[N@H+](C)Cc1cc(OC)c(OC)cc1O ZINC000827867044 616590734 /nfs/dbraw/zinc/59/07/34/616590734.db2.gz ARGZBDKXCUUYRZ-UHFFFAOYSA-N 1 1 268.313 0.587 20 10 CCCDMO CNC(=O)C[N@@H+](C)Cc1cc(OC)c(OC)cc1O ZINC000827867044 616590736 /nfs/dbraw/zinc/59/07/36/616590736.db2.gz ARGZBDKXCUUYRZ-UHFFFAOYSA-N 1 1 268.313 0.587 20 10 CCCDMO CNC(=O)C[N@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000827867806 616590744 /nfs/dbraw/zinc/59/07/44/616590744.db2.gz PVHDRSOASRGIRY-UHFFFAOYSA-N 1 1 295.358 0.840 20 10 CCCDMO CNC(=O)C[N@@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000827867806 616590749 /nfs/dbraw/zinc/59/07/49/616590749.db2.gz PVHDRSOASRGIRY-UHFFFAOYSA-N 1 1 295.358 0.840 20 10 CCCDMO COCCN(C)C[C@H](O)C[N@@H+](C)Cc1ccccc1O ZINC000821391551 616965854 /nfs/dbraw/zinc/96/58/54/616965854.db2.gz OAYZCWRLLXZOFX-AWEZNQCLSA-N 1 1 282.384 0.763 20 10 CCCDMO COCC[N@H+](C)C[C@H](O)CN(C)Cc1ccccc1O ZINC000821391551 616965856 /nfs/dbraw/zinc/96/58/56/616965856.db2.gz OAYZCWRLLXZOFX-AWEZNQCLSA-N 1 1 282.384 0.763 20 10 CCCDMO COCC[N@@H+](C)C[C@H](O)CN(C)Cc1ccccc1O ZINC000821391551 616965859 /nfs/dbraw/zinc/96/58/59/616965859.db2.gz OAYZCWRLLXZOFX-AWEZNQCLSA-N 1 1 282.384 0.763 20 10 CCCDMO OC[C@@H]1CC[N@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000902631434 634420042 /nfs/dbraw/zinc/42/00/42/634420042.db2.gz HVGZEPNQVAOGRC-CABZTGNLSA-N 1 1 251.282 0.385 20 10 CCCDMO O=C1NC(=O)[C@@H]2C[N@H+](Cc3cc(Cl)c(F)cc3O)C[C@H]12 ZINC000824896985 641852299 /nfs/dbraw/zinc/85/22/99/641852299.db2.gz IZRMCBYGTRTREQ-OCAPTIKFSA-N 1 1 298.701 0.889 20 10 CCCDMO O=C1NC(=O)[C@@H]2C[N@@H+](Cc3cc(Cl)c(F)cc3O)C[C@H]12 ZINC000824896985 641852308 /nfs/dbraw/zinc/85/23/08/641852308.db2.gz IZRMCBYGTRTREQ-OCAPTIKFSA-N 1 1 298.701 0.889 20 10 CCCDMO [NH3+]C[C@H]1CCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000843048745 642980536 /nfs/dbraw/zinc/98/05/36/642980536.db2.gz VUEUFLVEIIMBQW-SECBINFHSA-N 1 1 250.298 0.902 20 10 CCCDMO [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000843048256 642981693 /nfs/dbraw/zinc/98/16/93/642981693.db2.gz UXCZMOVLKDWPFM-LBPRGKRZSA-N 1 1 295.358 0.818 20 10 CCCDMO Cc1ccc(C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c(O)c1O ZINC000848306336 643619205 /nfs/dbraw/zinc/61/92/05/643619205.db2.gz PHBVAKPMFHPASN-WDEREUQCSA-N 1 1 292.335 0.297 20 10 CCCDMO Nc1ccc(CC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000851644824 643863385 /nfs/dbraw/zinc/86/33/85/643863385.db2.gz YPPTVDQPMJYDFJ-OAHLLOKOSA-N 1 1 289.379 0.744 20 10 CCCDMO O=C(c1cccc(O)c1O)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000861715885 644915400 /nfs/dbraw/zinc/91/54/00/644915400.db2.gz RAUCNGAOIPEVKQ-GHMZBOCLSA-N 1 1 292.335 0.379 20 10 CCCDMO O=C(/C=C\c1ccc(O)c(O)c1)NCC[N@@H+]1CC[C@H](O)C1 ZINC000863832860 645132649 /nfs/dbraw/zinc/13/26/49/645132649.db2.gz HDQQBBRFZJLLJD-QQHVMHFCSA-N 1 1 292.335 0.294 20 10 CCCDMO O=C1C[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CCCN1 ZINC000872825717 646328726 /nfs/dbraw/zinc/32/87/26/646328726.db2.gz PRPKSUUANYRLSK-LBPRGKRZSA-N 1 1 278.308 0.140 20 10 CCCDMO O=C1C[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CCCN1 ZINC000872825717 646328730 /nfs/dbraw/zinc/32/87/30/646328730.db2.gz PRPKSUUANYRLSK-LBPRGKRZSA-N 1 1 278.308 0.140 20 10 CCCDMO Cc1cccc(O)c1C[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000876750925 646657471 /nfs/dbraw/zinc/65/74/71/646657471.db2.gz KQVZVRNPGHNHSG-LLVKDONJSA-N 1 1 284.381 0.824 20 10 CCCDMO Cc1cccc(O)c1C[N@@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000876759549 646659951 /nfs/dbraw/zinc/65/99/51/646659951.db2.gz LBXYAPWVVAIRHC-CQSZACIVSA-N 1 1 294.395 0.826 20 10 CCCDMO Cc1ccc(C[N@H+]2C[C@H](CO)[C@H](CO)C2)c(O)c1 ZINC000877763879 646840044 /nfs/dbraw/zinc/84/00/44/646840044.db2.gz MPWYABFIDSKHSL-BETUJISGSA-N 1 1 251.326 0.733 20 10 CCCDMO Cc1cccc(C[N@H+]2CC[C@@H](O)[C@H](CO)C2)c1O ZINC001231590701 805819485 /nfs/dbraw/zinc/81/94/85/805819485.db2.gz FIWCLZSBQQWASW-QWHCGFSZSA-N 1 1 251.326 0.876 20 10 CCCDMO COc1cc(C[NH+]2CCN(C)CC2)c(O)cc1O ZINC001231633488 805821395 /nfs/dbraw/zinc/82/13/95/805821395.db2.gz XCKGRWYQPYZVQD-UHFFFAOYSA-N 1 1 252.314 0.854 20 10 CCCDMO COc1cc(N(C)C)ccc1C[N@@H+]1C[C@H](CO)[C@H](O)C1 ZINC001231849723 805862025 /nfs/dbraw/zinc/86/20/25/805862025.db2.gz XJDOGONFORBAID-TZMCWYRMSA-N 1 1 280.368 0.546 20 10 CCCDMO COC(=O)[C@H]1CN(Cc2cccc(Cl)c2O)C[C@@H]1[NH3+] ZINC001236352893 806583715 /nfs/dbraw/zinc/58/37/15/806583715.db2.gz LWYFWOKBPJTVPC-ONGXEEELSA-N 1 1 284.743 0.978 20 10 CCCDMO CCc1ccc(C[N@H+]2C[C@@H](O)[C@H](CO)C2)c(O)c1 ZINC001236783296 806608703 /nfs/dbraw/zinc/60/87/03/806608703.db2.gz JUSNSYDNNVXZCN-GXTWGEPZSA-N 1 1 251.326 0.740 20 10 CCCDMO COc1cc(C[N@H+]2CCOC[C@H](O)C2)c(O)c(OC)c1 ZINC001237668206 806708417 /nfs/dbraw/zinc/70/84/17/806708417.db2.gz AQNHQWPDZOSQFY-LLVKDONJSA-N 1 1 283.324 0.603 20 10 CCCDMO CCNC(=O)C[N@@H+](C)Cc1ccc(O)c(C)c1O ZINC001140742033 799937450 /nfs/dbraw/zinc/93/74/50/799937450.db2.gz HQZBAOKPUKSHND-UHFFFAOYSA-N 1 1 252.314 0.974 20 10 CCCDMO C[C@@]1(CO)C[N@@H+](Cc2cc(O)ccc2O)CC[C@@H]1O ZINC001141155892 799984506 /nfs/dbraw/zinc/98/45/06/799984506.db2.gz AFOIXXRTTRKKDF-KBPBESRZSA-N 1 1 267.325 0.663 20 10 CCCDMO COC[C@@H]1C[N@H+](Cc2cc(O)ccc2O)CCO1 ZINC001141161792 799986858 /nfs/dbraw/zinc/98/68/58/799986858.db2.gz YJJUEDDLCGQMIG-LBPRGKRZSA-N 1 1 253.298 0.945 20 10 CCCDMO COC[C@@H]1C[N@@H+](Cc2cc(O)ccc2O)CCO1 ZINC001141161792 799986863 /nfs/dbraw/zinc/98/68/63/799986863.db2.gz YJJUEDDLCGQMIG-LBPRGKRZSA-N 1 1 253.298 0.945 20 10 CCCDMO COc1ccc(O)c(C[N@H+]2CC[C@@](C)(CO)[C@H](O)C2)c1 ZINC001203670055 803040920 /nfs/dbraw/zinc/04/09/20/803040920.db2.gz LGQDUHIWKVPQPC-CABCVRRESA-N 1 1 281.352 0.966 20 10 CCCDMO OC[C@H]1C[N@@H+](Cc2ccc(O)c(O)c2)CC[C@H]1O ZINC001203875927 803049456 /nfs/dbraw/zinc/04/94/56/803049456.db2.gz ZEFUGLFSJBTAFA-GHMZBOCLSA-N 1 1 253.298 0.273 20 10 CCCDMO O=c1[nH]c(=O)c2c([nH]1)CC[N@@H+](Cc1ccc(O)c(O)c1)C2 ZINC001203882261 803051043 /nfs/dbraw/zinc/05/10/43/803051043.db2.gz GURDHRIBZRXFGW-UHFFFAOYSA-N 1 1 289.291 0.857 20 10 CCCDMO O=c1[nH]c(=O)c2c([nH]1)CC[N@H+](Cc1ccc(O)c(O)c1)C2 ZINC001203882261 803051046 /nfs/dbraw/zinc/05/10/46/803051046.db2.gz GURDHRIBZRXFGW-UHFFFAOYSA-N 1 1 289.291 0.857 20 10 CCCDMO NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(O)cc2O)C1 ZINC001204272217 803075376 /nfs/dbraw/zinc/07/53/76/803075376.db2.gz KCPFATZQRTZJDB-JTQLQIEISA-N 1 1 250.298 0.795 20 10 CCCDMO C[C@]1(CO)C[N@@H+](Cc2ccc(O)cc2O)CC[C@@H]1O ZINC001204276809 803075899 /nfs/dbraw/zinc/07/58/99/803075899.db2.gz RZKKZUMZWIARMF-UONOGXRCSA-N 1 1 267.325 0.663 20 10 CCCDMO C[C@]1(CO)C[N@@H+](Cc2ccc(O)cc2O)CC[C@H]1O ZINC001204276810 803076171 /nfs/dbraw/zinc/07/61/71/803076171.db2.gz RZKKZUMZWIARMF-ZIAGYGMSSA-N 1 1 267.325 0.663 20 10 CCCDMO OCCCN1CC[NH+](Cc2ccc(O)cc2O)CC1 ZINC001204276333 803076947 /nfs/dbraw/zinc/07/69/47/803076947.db2.gz KOWYDRVPZOKOPI-UHFFFAOYSA-N 1 1 266.341 0.598 20 10 CCCDMO [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2ccc(C(=O)[O-])cc2O)C1 ZINC001205687900 803156069 /nfs/dbraw/zinc/15/60/69/803156069.db2.gz BRTPUEOVWNHVOF-OAHLLOKOSA-N 1 1 294.351 0.766 20 10 CCCDMO COC(=O)Cc1ccc(C[N@H+]2CC(=O)N[C@@H](C)C2)c(O)c1 ZINC001249171115 807546378 /nfs/dbraw/zinc/54/63/78/807546378.db2.gz AAXGSPAXWZZVBX-JTQLQIEISA-N 1 1 292.335 0.428 20 10 CCCDMO COC(=O)Cc1ccc(C[N@@H+]2CC(=O)N[C@@H](C)C2)c(O)c1 ZINC001249171115 807546384 /nfs/dbraw/zinc/54/63/84/807546384.db2.gz AAXGSPAXWZZVBX-JTQLQIEISA-N 1 1 292.335 0.428 20 10 CCCDMO CN1CCN(CC[N@H+](C)Cc2cc(O)ccc2O)CC1 ZINC001141161742 811825143 /nfs/dbraw/zinc/82/51/43/811825143.db2.gz WOGNBJNNVVKGEO-UHFFFAOYSA-N 1 1 279.384 0.777 20 10 CCCDMO CN1CCN(CC[N@@H+](C)Cc2cc(O)ccc2O)CC1 ZINC001141161742 811825145 /nfs/dbraw/zinc/82/51/45/811825145.db2.gz WOGNBJNNVVKGEO-UHFFFAOYSA-N 1 1 279.384 0.777 20 10 CCCDMO COC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1c(O)cc(F)cc1F ZINC001236197111 817156687 /nfs/dbraw/zinc/15/66/87/817156687.db2.gz GLDIRWNTXIMQDK-KWQFWETISA-N 1 1 286.278 0.745 20 10 CCCDMO CN1CCOC[C@]1(CO)C[NH2+]Cc1cccc(F)c1O ZINC001183847297 844100250 /nfs/dbraw/zinc/10/02/50/844100250.db2.gz ZMLGHVZJJKGHLL-CQSZACIVSA-N 1 1 284.331 0.314 20 10 CCCDMO COc1ccc(C[N@H+]2CC[C@@H](O)[C@@H](CO)C2)c(O)c1 ZINC001203620450 844435680 /nfs/dbraw/zinc/43/56/80/844435680.db2.gz FXSYQTRYXIMYHQ-DGCLKSJQSA-N 1 1 267.325 0.576 20 10 CCCDMO O=C1CC[N@@H+](Cc2c(O)cc(O)cc2O)CCN1 ZINC001144500635 840067295 /nfs/dbraw/zinc/06/72/95/840067295.db2.gz XCLVOTVLPWBHGL-UHFFFAOYSA-N 1 1 252.270 0.125 20 10 CCCDMO COC(=O)[C@H]1CC[N@@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144504588 840069039 /nfs/dbraw/zinc/06/90/39/840069039.db2.gz WBBCFAIEKFOLNM-QMMMGPOBSA-N 1 1 267.281 0.798 20 10 CCCDMO C[C@@]1(CO)C[N@@H+](Cc2c(O)cc(O)cc2O)CC[C@@H]1O ZINC001144503736 840069644 /nfs/dbraw/zinc/06/96/44/840069644.db2.gz BJVHBBMKJOVYBS-KBPBESRZSA-N 1 1 283.324 0.369 20 10 CCCDMO CN1CC[N@@H+](Cc2c(O)cc(O)cc2O)CCC1=O ZINC001144509234 840072328 /nfs/dbraw/zinc/07/23/28/840072328.db2.gz PXUQMWVFNNZRPI-UHFFFAOYSA-N 1 1 266.297 0.468 20 10 CCCDMO C[N@H+]1CCC[C@H](C(=O)NCCc2cc(O)c(O)cc2O)C1 ZINC001186361810 844541719 /nfs/dbraw/zinc/54/17/19/844541719.db2.gz GQSYVDGALAAKLE-NSHDSACASA-N 1 1 294.351 0.804 20 10 CCCDMO C[N@H+]1C[C@@H]2COC[C@H](C1)N2Cc1cc(O)ccc1O ZINC001275418591 848716666 /nfs/dbraw/zinc/71/66/66/848716666.db2.gz HHJQXTATBCBADE-TXEJJXNPSA-N 1 1 264.325 0.613 20 10 CCCDMO CN(C)c1ccc(C[N@H+]2C[C@@H]3OCCN(C)[C@H]3C2)c(O)c1 ZINC001275585089 848768568 /nfs/dbraw/zinc/76/85/68/848768568.db2.gz NOBIRLUJYOMOJZ-HOCLYGCPSA-N 1 1 291.395 0.973 20 10 CCCDMO C[N@H+]1CCC[C@@H]1C(=O)NCc1cccc(O)c1O ZINC001350300472 925166051 /nfs/dbraw/zinc/16/60/51/925166051.db2.gz ROJXEAFLJWQDPN-SNVBAGLBSA-N 1 1 250.298 0.808 20 10 CCCDMO C[NH2+][C@@H](C)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC001353147998 925741230 /nfs/dbraw/zinc/74/12/30/925741230.db2.gz WJGUIMQLMTZNMX-ZDUSSCGKSA-N 1 1 290.411 0.663 20 10 CCCDMO Cc1cc(O)c(C[N@H+]2C[C@@H](O)C[C@H]2CO)cc1C ZINC000187664806 351550377 /nfs/dbraw/zinc/55/03/77/351550377.db2.gz GYMYQOJXYZWGIR-STQMWFEESA-N 1 1 251.326 0.937 20 10 CCCDMO CN(C)c1ccc(C[N@@H+]2CCO[C@@H](C(N)=O)C2)cc1 ZINC000092734750 389030349 /nfs/dbraw/zinc/03/03/49/389030349.db2.gz VCGFRJSMYGZSRQ-CYBMUJFWSA-N 1 1 263.341 0.439 20 10 CCCDMO CN(C)c1ccc(C[N@H+]2CCO[C@@H](C(N)=O)C2)cc1 ZINC000092734750 389030352 /nfs/dbraw/zinc/03/03/52/389030352.db2.gz VCGFRJSMYGZSRQ-CYBMUJFWSA-N 1 1 263.341 0.439 20 10 CCCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@]3(C2)NC(=O)NC3=O)c1 ZINC000193469803 389070503 /nfs/dbraw/zinc/07/05/03/389070503.db2.gz LLZLUHRLNMOGDV-OAHLLOKOSA-N 1 1 289.335 0.875 20 10 CCCDMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)Cc1ccccc1O ZINC000109769596 389099933 /nfs/dbraw/zinc/09/99/33/389099933.db2.gz UMFQLDAMEZMSPV-QMMMGPOBSA-N 1 1 251.286 0.407 20 10 CCCDMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2cccc(O)c2O)[C@@H](C)C1 ZINC000281596849 389620826 /nfs/dbraw/zinc/62/08/26/389620826.db2.gz NPOJTTJSVRLBQB-QWRGUYRKSA-N 1 1 294.351 0.625 20 10 CCCDMO C[C@H](O)C[N@H+]1CCN(C(=O)c2cccc(O)c2O)[C@@H](C)C1 ZINC000281596849 389620832 /nfs/dbraw/zinc/62/08/32/389620832.db2.gz NPOJTTJSVRLBQB-QWRGUYRKSA-N 1 1 294.351 0.625 20 10 CCCDMO CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2O)CCO1 ZINC000179576182 389659246 /nfs/dbraw/zinc/65/92/46/389659246.db2.gz PTKAMMSUTVKBBF-ZDUSSCGKSA-N 1 1 264.325 0.729 20 10 CCCDMO CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2O)CCO1 ZINC000179576182 389659250 /nfs/dbraw/zinc/65/92/50/389659250.db2.gz PTKAMMSUTVKBBF-ZDUSSCGKSA-N 1 1 264.325 0.729 20 10 CCCDMO COc1cc(O)c(C[N@@H+](CCO)CCCO)cc1OC ZINC000271710380 286239003 /nfs/dbraw/zinc/23/90/03/286239003.db2.gz GOPRZJMJYDGKSV-UHFFFAOYSA-N 1 1 285.340 0.586 20 10 CCCDMO COc1c(O)c(C[N@@H+](C)CCO)ccc1[N+](=O)[O-] ZINC000278263072 521865141 /nfs/dbraw/zinc/86/51/41/521865141.db2.gz QRKGFAOHQUHBNK-UHFFFAOYSA-N 1 1 256.258 0.733 20 10 CCCDMO Cc1cc(O)c(C[N@H+]2CC[C@@H](S(N)(=O)=O)C2)cc1C ZINC000785985047 581426447 /nfs/dbraw/zinc/42/64/47/581426447.db2.gz KFDWVTCZNLNCKW-GFCCVEGCSA-N 1 1 284.381 0.872 20 10 CCCDMO COc1cccc(O)c1C[N@@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000787417527 581469982 /nfs/dbraw/zinc/46/99/82/581469982.db2.gz OIBNXNQRTVXMRH-MNOVXSKESA-N 1 1 267.325 0.982 20 10 CCCDMO COc1cccc(O)c1C[N@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000787417527 581469984 /nfs/dbraw/zinc/46/99/84/581469984.db2.gz OIBNXNQRTVXMRH-MNOVXSKESA-N 1 1 267.325 0.982 20 10 CCCDMO C[C@@H]1C[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C[C@H]1O ZINC000768772539 581655495 /nfs/dbraw/zinc/65/54/95/581655495.db2.gz ZPBQDXFOIKETOL-IUODEOHRSA-N 1 1 291.395 0.681 20 10 CCCDMO CCOc1ccc(C[N@@H+]2CCO[C@H](CO)C2)c(O)c1 ZINC000769395512 581687272 /nfs/dbraw/zinc/68/72/72/581687272.db2.gz IKGZFKIWBLVABN-ZDUSSCGKSA-N 1 1 267.325 0.984 20 10 CCCDMO CCOc1ccc(C[N@H+]2CCO[C@H](CO)C2)c(O)c1 ZINC000769395512 581687275 /nfs/dbraw/zinc/68/72/75/581687275.db2.gz IKGZFKIWBLVABN-ZDUSSCGKSA-N 1 1 267.325 0.984 20 10 CCCDMO C[C@H](CC(N)=O)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000771844702 581829705 /nfs/dbraw/zinc/82/97/05/581829705.db2.gz ACYWKFFULFHJJJ-CYBMUJFWSA-N 1 1 290.411 0.792 20 10 CCCDMO COc1ccc(O)c(C[N@@H+]2C[C@H](CO)OC[C@H]2C)c1 ZINC000775742352 582036103 /nfs/dbraw/zinc/03/61/03/582036103.db2.gz UMTWAXKKEBXLSJ-ZWNOBZJWSA-N 1 1 267.325 0.982 20 10 CCCDMO COc1ccc(O)c(C[N@H+]2C[C@H](CO)OC[C@H]2C)c1 ZINC000775742352 582036105 /nfs/dbraw/zinc/03/61/05/582036105.db2.gz UMTWAXKKEBXLSJ-ZWNOBZJWSA-N 1 1 267.325 0.982 20 10 CCCDMO COc1ccc(C[N@H+]2CC[C@H](C(N)=O)C2)c(O)c1OC ZINC000891440691 617251239 /nfs/dbraw/zinc/25/12/39/617251239.db2.gz NYSHCSXAFYIYPG-JTQLQIEISA-N 1 1 280.324 0.717 20 10 CCCDMO COc1cccc(C[N@@H+]2CCO[C@H]([C@@H](C)O)C2)c1O ZINC000840978439 617297606 /nfs/dbraw/zinc/29/76/06/617297606.db2.gz RIQVUNBFDQIJOU-MFKMUULPSA-N 1 1 267.325 0.982 20 10 CCCDMO COc1cccc(C[N@H+]2CCO[C@H]([C@@H](C)O)C2)c1O ZINC000840978439 617297609 /nfs/dbraw/zinc/29/76/09/617297609.db2.gz RIQVUNBFDQIJOU-MFKMUULPSA-N 1 1 267.325 0.982 20 10 CCCDMO COc1cccc(O)c1C[N@@H+](C)CCOCCO ZINC000800545569 617305011 /nfs/dbraw/zinc/30/50/11/617305011.db2.gz BFOGSGLDTQKADV-UHFFFAOYSA-N 1 1 255.314 0.842 20 10 CCCDMO CCOc1ccc(O)c(C[N@H+]2CCC(CO)(CO)C2)c1 ZINC000827482320 615512093 /nfs/dbraw/zinc/51/20/93/615512093.db2.gz WGIZAFRBIIQFCT-UHFFFAOYSA-N 1 1 281.352 0.968 20 10 CCCDMO CN(C)c1ccc(/C=C\C[N@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)cc1 ZINC000835055314 616011326 /nfs/dbraw/zinc/01/13/26/616011326.db2.gz UQQNMONDFWIDSR-JQBDECOXSA-N 1 1 299.374 0.970 20 10 CCCDMO CN(Cc1cc(Br)ccc1O)C[C@@H](O)C[NH3+] ZINC000841091974 616164275 /nfs/dbraw/zinc/16/42/75/616164275.db2.gz ITFLUIIUBIIQTH-JTQLQIEISA-N 1 1 289.173 0.906 20 10 CCCDMO C[N@H+](Cc1ccccc1O)C[C@@H](O)C1(O)CCOCC1 ZINC000929975014 616170994 /nfs/dbraw/zinc/17/09/94/616170994.db2.gz CRSIHKQLDZPVSE-CQSZACIVSA-N 1 1 281.352 0.726 20 10 CCCDMO CN1CCN(c2ccc(C[NH+](CCO)CCO)cc2)CC1 ZINC000862429993 616247060 /nfs/dbraw/zinc/24/70/60/616247060.db2.gz NCAIBYKDXKBSJV-UHFFFAOYSA-N 1 1 293.411 0.225 20 10 CCCDMO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCc1c(O)cccc1F ZINC000928709714 616500935 /nfs/dbraw/zinc/50/09/35/616500935.db2.gz DOWWKILIDMHFLH-YMTOWFKASA-N 1 1 282.315 0.603 20 10 CCCDMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NCc1c(O)cccc1F ZINC000928709714 616500937 /nfs/dbraw/zinc/50/09/37/616500937.db2.gz DOWWKILIDMHFLH-YMTOWFKASA-N 1 1 282.315 0.603 20 10 CCCDMO CNC(=O)C[N@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877642752 616590978 /nfs/dbraw/zinc/59/09/78/616590978.db2.gz STBDHAYJVJHAMK-UHFFFAOYSA-N 1 1 291.395 0.826 20 10 CCCDMO CNC(=O)C[N@@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877642752 616590980 /nfs/dbraw/zinc/59/09/80/616590980.db2.gz STBDHAYJVJHAMK-UHFFFAOYSA-N 1 1 291.395 0.826 20 10 CCCDMO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1O ZINC000109769587 616704646 /nfs/dbraw/zinc/70/46/46/616704646.db2.gz IESXIPQADIRRLM-SECBINFHSA-N 1 1 265.313 0.668 20 10 CCCDMO CNC(=O)NC[C@H]1C[N@H+](Cc2ccc(C)cc2O)CCO1 ZINC000877652443 616761765 /nfs/dbraw/zinc/76/17/65/616761765.db2.gz VMTNBOKLKULQHD-ZDUSSCGKSA-N 1 1 293.367 0.830 20 10 CCCDMO CNC(=O)NC[C@H]1C[N@@H+](Cc2ccc(C)cc2O)CCO1 ZINC000877652443 616761769 /nfs/dbraw/zinc/76/17/69/616761769.db2.gz VMTNBOKLKULQHD-ZDUSSCGKSA-N 1 1 293.367 0.830 20 10 CCCDMO COc1c(O)c(C[NH2+][C@H]2C[C@H](C(N)=O)C2)ccc1[N+](=O)[O-] ZINC000862483323 617149254 /nfs/dbraw/zinc/14/92/54/617149254.db2.gz KFSIKEVWMGAMEJ-KYZUINATSA-N 1 1 295.295 0.663 20 10 CCCDMO COc1cccc(C[N@@H+](C)CCNC(C)=O)c1O ZINC000308250407 624863029 /nfs/dbraw/zinc/86/30/29/624863029.db2.gz AURRCCSTNNMKSC-UHFFFAOYSA-N 1 1 252.314 0.969 20 10 CCCDMO C[C@]1(CO)C[C@H](O)C[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000895328507 632057728 /nfs/dbraw/zinc/05/77/28/632057728.db2.gz GVHNPHKOQLMBFU-IINYFYTJSA-N 1 1 281.308 0.439 20 10 CCCDMO Cc1ccc(O)c(C[N@H+]2CC[C@H](CS(N)(=O)=O)C2)c1 ZINC000897058437 632384468 /nfs/dbraw/zinc/38/44/68/632384468.db2.gz OXDVKNVHNRNCRN-NSHDSACASA-N 1 1 284.381 0.811 20 10 CCCDMO OC[C@H]1C[N@@H+](Cc2cc(Cl)ccc2O)C[C@@H]1O ZINC000839166921 640304240 /nfs/dbraw/zinc/30/42/40/640304240.db2.gz UQQDUWGZUGWIGU-SKDRFNHKSA-N 1 1 257.717 0.831 20 10 CCCDMO OC[C@@]1(O)CCC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000839160251 640306623 /nfs/dbraw/zinc/30/66/23/640306623.db2.gz SBKVSDPYJBSKAH-CQSZACIVSA-N 1 1 281.308 0.440 20 10 CCCDMO C[C@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)c1ccccc1O ZINC000827972889 642055933 /nfs/dbraw/zinc/05/59/33/642055933.db2.gz CDGJTUWNBDGIOE-GWCFXTLKSA-N 1 1 264.325 0.900 20 10 CCCDMO C[C@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)c1ccccc1O ZINC000827972889 642055942 /nfs/dbraw/zinc/05/59/42/642055942.db2.gz CDGJTUWNBDGIOE-GWCFXTLKSA-N 1 1 264.325 0.900 20 10 CCCDMO Cc1cc(N(C)C)ccc1C[N@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000840951127 642798726 /nfs/dbraw/zinc/79/87/26/642798726.db2.gz STTPFDTXDUEWAI-OKILXGFUSA-N 1 1 287.363 0.765 20 10 CCCDMO C[C@H](NC(=O)C[N@H+](C)Cc1ccccc1O)C(=O)N(C)C ZINC000111235431 644097055 /nfs/dbraw/zinc/09/70/55/644097055.db2.gz YHXBXHVJVLEAQX-NSHDSACASA-N 1 1 293.367 0.417 20 10 CCCDMO C[C@H](NC(=O)C[N@@H+](C)Cc1ccccc1O)C(=O)N(C)C ZINC000111235431 644097059 /nfs/dbraw/zinc/09/70/59/644097059.db2.gz YHXBXHVJVLEAQX-NSHDSACASA-N 1 1 293.367 0.417 20 10 CCCDMO Oc1c(F)cc(F)cc1C[NH2+]C[C@@H](O)Cn1ccnn1 ZINC000883144758 647495182 /nfs/dbraw/zinc/49/51/82/647495182.db2.gz ZPPATSLXIJPKRO-SNVBAGLBSA-N 1 1 284.266 0.413 20 10 CCCDMO COc1cc(C[N@@H+]2C[C@@H](OC)[C@@H](OC)C2)c(O)cc1O ZINC001231633848 805822173 /nfs/dbraw/zinc/82/21/73/805822173.db2.gz AJRLIWTXPPSUPK-OKILXGFUSA-N 1 1 283.324 0.952 20 10 CCCDMO CN(C)C(=O)C[N@@H+](C)Cc1ccc(N(C)C)cc1O ZINC001232839806 805985411 /nfs/dbraw/zinc/98/54/11/805985411.db2.gz VYPFXCKTZIBLCN-UHFFFAOYSA-N 1 1 265.357 0.978 20 10 CCCDMO Oc1cc(C[N@H+]2C[C@@H]3COC[C@@H]3C2)cc(O)c1O ZINC001233012166 806006177 /nfs/dbraw/zinc/00/61/77/806006177.db2.gz FGYSPRLSSZWLON-AOOOYVTPSA-N 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OC[C@H]1CC[N@H+](Cc2cccc(F)c2O)C[C@H]1O ZINC001138124034 799703372 /nfs/dbraw/zinc/70/33/72/799703372.db2.gz VZAYOFILSWZQKO-ZYHUDNBSSA-N 1 1 255.289 0.706 20 10 CCCDMO OC[C@H]1CC[N@@H+](Cc2cccc(F)c2O)C[C@H]1O ZINC001138124034 799703374 /nfs/dbraw/zinc/70/33/74/799703374.db2.gz VZAYOFILSWZQKO-ZYHUDNBSSA-N 1 1 255.289 0.706 20 10 CCCDMO Cc1ccc(C)c(C[N@H+]2CCO[C@H](C(N)=O)C2)c1O ZINC001140182303 799886737 /nfs/dbraw/zinc/88/67/37/799886737.db2.gz OIYCRLYPVWXFEL-LBPRGKRZSA-N 1 1 264.325 0.695 20 10 CCCDMO C[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)C[C@@H](O)CO ZINC001140283895 799901650 /nfs/dbraw/zinc/90/16/50/799901650.db2.gz FVPUXTOATNEBTM-MRXNPFEDSA-N 1 1 294.395 0.433 20 10 CCCDMO COc1cccc(C[N@H+]2CCOC[C@](C)(O)C2)c1O ZINC001203589753 803035194 /nfs/dbraw/zinc/03/51/94/803035194.db2.gz NGDTXMUHJCUZMI-CQSZACIVSA-N 1 1 267.325 0.984 20 10 CCCDMO COc1ccc(C[N@H+]2CC[C@@H](O)[C@](C)(CO)C2)c(O)c1 ZINC001203621539 803038066 /nfs/dbraw/zinc/03/80/66/803038066.db2.gz WZOJPKCVEKDGOP-CABCVRRESA-N 1 1 281.352 0.966 20 10 CCCDMO COC(=O)[C@@H]1C[N@H+](Cc2ccc(OC)cc2O)CCN1C ZINC001203628623 803038227 /nfs/dbraw/zinc/03/82/27/803038227.db2.gz FDQPIINYTQVYID-ZDUSSCGKSA-N 1 1 294.351 0.690 20 10 CCCDMO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(OC)cc2O)CCN1C ZINC001203628623 803038231 /nfs/dbraw/zinc/03/82/31/803038231.db2.gz FDQPIINYTQVYID-ZDUSSCGKSA-N 1 1 294.351 0.690 20 10 CCCDMO COc1ccc(C[N@H+]2C[C@@H](O)[C@H](CO)C2)c(O)c1 ZINC001203621568 803039128 /nfs/dbraw/zinc/03/91/28/803039128.db2.gz XLTRVBQNPXOROP-GXFFZTMASA-N 1 1 253.298 0.186 20 10 CCCDMO COc1ccc(O)c(C[N@@H+]2C[C@H](CO)[C@H](O)C2)c1 ZINC001203670604 803041470 /nfs/dbraw/zinc/04/14/70/803041470.db2.gz UPCVKTQJCWKVOE-ZWNOBZJWSA-N 1 1 253.298 0.186 20 10 CCCDMO OC[C@@H]1C[N@@H+](Cc2ccc(O)c(O)c2)CC[C@@H]1O ZINC001203875929 803050898 /nfs/dbraw/zinc/05/08/98/803050898.db2.gz ZEFUGLFSJBTAFA-QWRGUYRKSA-N 1 1 253.298 0.273 20 10 CCCDMO COCC[NH+]1CCN(Cc2ccc(O)cc2O)CC1 ZINC001204273596 803075305 /nfs/dbraw/zinc/07/53/05/803075305.db2.gz RYQFLZFMKXGIER-UHFFFAOYSA-N 1 1 266.341 0.862 20 10 CCCDMO COC[C@H]1COCC[N@@H+]1Cc1ccc(O)cc1O ZINC001204277543 803075970 /nfs/dbraw/zinc/07/59/70/803075970.db2.gz FHWBKXKNXFKLSE-NSHDSACASA-N 1 1 253.298 0.945 20 10 CCCDMO COC[C@H]1COCC[N@H+]1Cc1ccc(O)cc1O ZINC001204277543 803075977 /nfs/dbraw/zinc/07/59/77/803075977.db2.gz FHWBKXKNXFKLSE-NSHDSACASA-N 1 1 253.298 0.945 20 10 CCCDMO COc1cc(C[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)cc(O)c1O ZINC001204344178 803080087 /nfs/dbraw/zinc/08/00/87/803080087.db2.gz VSTUXQLJBZLELW-JQWIXIFHSA-N 1 1 283.324 0.282 20 10 CCCDMO COc1cc(C[N@H+]2CC[C@@H](CO)[C@@H](O)C2)cc(O)c1O ZINC001204344178 803080094 /nfs/dbraw/zinc/08/00/94/803080094.db2.gz VSTUXQLJBZLELW-JQWIXIFHSA-N 1 1 283.324 0.282 20 10 CCCDMO Nc1ccc(CNC(=O)NCC[N@H+]2CC[C@@H](O)C2)cc1 ZINC001262603940 809372283 /nfs/dbraw/zinc/37/22/83/809372283.db2.gz ZZPIKJDVDNLJCG-CYBMUJFWSA-N 1 1 278.356 0.135 20 10 CCCDMO OC[C@H]1C[C@@H](F)C[N@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233483161 816324496 /nfs/dbraw/zinc/32/44/96/816324496.db2.gz PJWBCMUKSOZJRH-WCBMZHEXSA-N 1 1 271.288 0.956 20 10 CCCDMO OC[C@H]1C[C@@H](F)C[N@@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233483161 816324502 /nfs/dbraw/zinc/32/45/02/816324502.db2.gz PJWBCMUKSOZJRH-WCBMZHEXSA-N 1 1 271.288 0.956 20 10 CCCDMO COC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1ccc(F)c(F)c1O ZINC001236200795 817166884 /nfs/dbraw/zinc/16/68/84/817166884.db2.gz JRAYTGDEOWIWJR-WPRPVWTQSA-N 1 1 286.278 0.745 20 10 CCCDMO COc1ccc(O)c(CNC(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)c1 ZINC000822304675 821478007 /nfs/dbraw/zinc/47/80/07/821478007.db2.gz SRNZSXYQFLCODI-ABAIWWIYSA-N 1 1 294.351 0.472 20 10 CCCDMO O=C1NCC[C@@]12CC[N@H+](Cc1c(O)cc(O)cc1O)C2 ZINC001144503718 840069057 /nfs/dbraw/zinc/06/90/57/840069057.db2.gz AWCMZHIYHGZUMB-AWEZNQCLSA-N 1 1 278.308 0.515 20 10 CCCDMO C[N@H+]1C[C@@H]2COC[C@H](C1)N2Cc1ccc(O)cc1O ZINC001275950343 848872607 /nfs/dbraw/zinc/87/26/07/848872607.db2.gz SFOQEDDECUTUNM-TXEJJXNPSA-N 1 1 264.325 0.613 20 10 CCCDMO COc1cc(C[N@H+]2C[C@@H]3OCCN(C)[C@H]3C2)c(O)cc1O ZINC001276091729 848923975 /nfs/dbraw/zinc/92/39/75/848923975.db2.gz YRXHJWLHOWESAN-NHYWBVRUSA-N 1 1 294.351 0.621 20 10 CCCDMO CN1CCN(c2ccc(CNC(=O)C3([NH3+])CC3)cc2)CC1 ZINC001330960583 916993527 /nfs/dbraw/zinc/99/35/27/916993527.db2.gz IIVFDWMUPDIFNO-UHFFFAOYSA-N 1 1 288.395 0.546 20 10 CCCDMO C[C@H](NC(=O)NCc1ccc(N)cc1)[C@H]1C[N@H+](C)CCO1 ZINC001336863468 921067121 /nfs/dbraw/zinc/06/71/21/921067121.db2.gz RGDXWDIXQTZKQR-SMDDNHRTSA-N 1 1 292.383 0.787 20 10 CCCDMO C[C@H](NC(=O)NCc1ccc(N)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC001336863468 921067133 /nfs/dbraw/zinc/06/71/33/921067133.db2.gz RGDXWDIXQTZKQR-SMDDNHRTSA-N 1 1 292.383 0.787 20 10 CCCDMO C[N@@H+]1CCO[C@@H](C(=O)NCc2cccc(O)c2O)C1 ZINC001349079779 924879963 /nfs/dbraw/zinc/87/99/63/924879963.db2.gz QOIYSRSSROSMDI-LLVKDONJSA-N 1 1 266.297 0.045 20 10 CCCDMO C[N@H+]1CCO[C@@H](C(=O)NCc2cccc(O)c2O)C1 ZINC001349079779 924879969 /nfs/dbraw/zinc/87/99/69/924879969.db2.gz QOIYSRSSROSMDI-LLVKDONJSA-N 1 1 266.297 0.045 20 10 CCCDMO C[N@@H+](CC(=O)N1CCNC1=O)Cc1ccccc1O ZINC000111235138 349768108 /nfs/dbraw/zinc/76/81/08/349768108.db2.gz VDNRQAJEBKXESV-UHFFFAOYSA-N 1 1 263.297 0.376 20 10 CCCDMO NC(=O)C[C@H]([NH3+])C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000269719870 352868674 /nfs/dbraw/zinc/86/86/74/352868674.db2.gz PVMSXDFWYPGEOL-ZDUSSCGKSA-N 1 1 290.367 0.106 20 10 CCCDMO COc1cccc(C[N@@H+](CCO)CCCO)c1O ZINC000093324064 260515565 /nfs/dbraw/zinc/51/55/65/260515565.db2.gz RIYMMDZCWSBUQS-UHFFFAOYSA-N 1 1 255.314 0.578 20 10 CCCDMO COc1cccc(C[N@H+]2CCN3C(=O)NC[C@@H]3C2)c1O ZINC000156065229 389323013 /nfs/dbraw/zinc/32/30/13/389323013.db2.gz WKUFULSEFIQAEI-LLVKDONJSA-N 1 1 277.324 0.610 20 10 CCCDMO C[N@H+](Cc1cc(F)ccc1O)C[C@H](O)CN1CCOCC1 ZINC000180184714 389667113 /nfs/dbraw/zinc/66/71/13/389667113.db2.gz JAQJRJXXBSHYGN-AWEZNQCLSA-N 1 1 298.358 0.656 20 10 CCCDMO CCOc1cccc(C[NH+]2CCN(CC(N)=O)CC2)c1O ZINC000179833930 261819562 /nfs/dbraw/zinc/81/95/62/261819562.db2.gz RUGFEUFEAUQANK-UHFFFAOYSA-N 1 1 293.367 0.394 20 10 CCCDMO COc1c(O)c(C[NH2+]C[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000278551790 521878875 /nfs/dbraw/zinc/87/88/75/521878875.db2.gz ZDRVKUQWRYZNOJ-SSDOTTSWSA-N 1 1 256.258 0.779 20 10 CCCDMO CN(C)c1[nH+]cc(CNC(=O)c2cccc(O)c2O)n1C ZINC000279092340 522343377 /nfs/dbraw/zinc/34/33/77/522343377.db2.gz GIFCZNPVWODYJC-UHFFFAOYSA-N 1 1 290.323 0.827 20 10 CCCDMO CN1CC[C@@H]([N@@H+](C)Cc2cc3c(cc2O)OCO3)C1=O ZINC000265728467 523185611 /nfs/dbraw/zinc/18/56/11/523185611.db2.gz PSIPWTXOLRXEDS-SNVBAGLBSA-N 1 1 278.308 0.783 20 10 CCCDMO CN(Cc1ccccc1O)C(=O)[C@@H]1COCC[NH2+]1 ZINC000088371089 523386063 /nfs/dbraw/zinc/38/60/63/523386063.db2.gz RSWFFBFZGXDPFO-NSHDSACASA-N 1 1 250.298 0.339 20 10 CCCDMO COc1cccc(C[N@H+]2CC[C@H](S(N)(=O)=O)C2)c1O ZINC000785984522 581425973 /nfs/dbraw/zinc/42/59/73/581425973.db2.gz IFIMFZLDWFVSPF-JTQLQIEISA-N 1 1 286.353 0.264 20 10 CCCDMO COc1cccc(O)c1C[N@@H+]1CCCNC(=O)C1 ZINC000769105788 581672083 /nfs/dbraw/zinc/67/20/83/581672083.db2.gz DLDRDIYCRAGCRJ-UHFFFAOYSA-N 1 1 250.298 0.723 20 10 CCCDMO COc1cccc(O)c1C[N@H+]1CCCNC(=O)C1 ZINC000769105788 581672086 /nfs/dbraw/zinc/67/20/86/581672086.db2.gz DLDRDIYCRAGCRJ-UHFFFAOYSA-N 1 1 250.298 0.723 20 10 CCCDMO C[C@H]([NH2+]CCc1nnnn1C)c1ccc(F)cc1O ZINC000756678635 581674157 /nfs/dbraw/zinc/67/41/57/581674157.db2.gz WYTOROCLYCKGPM-QMMMGPOBSA-N 1 1 265.292 0.948 20 10 CCCDMO COc1cccc(O)c1C[N@@H+](CCO)CCCO ZINC000769387845 581686137 /nfs/dbraw/zinc/68/61/37/581686137.db2.gz BXNNTBWRNYHWHL-UHFFFAOYSA-N 1 1 255.314 0.578 20 10 CCCDMO C[C@H](NC(=O)NCc1ccccc1O)[C@@H]1C[N@H+](C)CCO1 ZINC000770107412 581730695 /nfs/dbraw/zinc/73/06/95/581730695.db2.gz KGIOTLFKCKFLQL-FZMZJTMJSA-N 1 1 293.367 0.911 20 10 CCCDMO C[C@H](NC(=O)NCc1ccccc1O)[C@@H]1C[N@@H+](C)CCO1 ZINC000770107412 581730698 /nfs/dbraw/zinc/73/06/98/581730698.db2.gz KGIOTLFKCKFLQL-FZMZJTMJSA-N 1 1 293.367 0.911 20 10 CCCDMO COCC[N@H+](C)CCNC(=O)C1=CC(=O)CS1 ZINC000732282520 581816486 /nfs/dbraw/zinc/81/64/86/581816486.db2.gz IDJGETKUOROOBD-UHFFFAOYSA-N 1 1 258.343 0.762 20 10 CCCDMO COCC[N@@H+](C)CCNC(=O)C1=CC(=O)CS1 ZINC000732282520 581816489 /nfs/dbraw/zinc/81/64/89/581816489.db2.gz IDJGETKUOROOBD-UHFFFAOYSA-N 1 1 258.343 0.762 20 10 CCCDMO CCNC(=O)C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000771823802 581826174 /nfs/dbraw/zinc/82/61/74/581826174.db2.gz SMHNFOIGMPQSKD-UHFFFAOYSA-N 1 1 290.411 0.664 20 10 CCCDMO COc1c(O)c(C[NH2+][C@H](C)CC(N)=O)ccc1[N+](=O)[O-] ZINC000775038548 582009661 /nfs/dbraw/zinc/00/96/61/582009661.db2.gz VFNPDECWUTYASJ-SSDOTTSWSA-N 1 1 283.284 0.663 20 10 CCCDMO CC(C)(CO)[NH+]1CCN(C(=O)c2cccc(O)c2O)CC1 ZINC000827834756 614120525 /nfs/dbraw/zinc/12/05/25/614120525.db2.gz XZXGWGZVWADZLL-UHFFFAOYSA-N 1 1 294.351 0.627 20 10 CCCDMO COc1ccc(C[N@@H+](C)CCOCCO)c(O)c1OC ZINC000894263044 617248052 /nfs/dbraw/zinc/24/80/52/617248052.db2.gz AFHUTPHEFHKQPK-UHFFFAOYSA-N 1 1 285.340 0.850 20 10 CCCDMO COc1ccc(C[N@H+]2C[C@H](O)C[C@H]2CO)c(O)c1OC ZINC000893683031 617252048 /nfs/dbraw/zinc/25/20/48/617252048.db2.gz WQYZOSDXMVOOFS-WDEREUQCSA-N 1 1 283.324 0.337 20 10 CCCDMO COc1cccc(O)c1C[N@H+]1CCN(CCO)[C@H](C)C1 ZINC000779214829 617305392 /nfs/dbraw/zinc/30/53/92/617305392.db2.gz UZIMQKKTYVVYPP-GFCCVEGCSA-N 1 1 280.368 0.899 20 10 CCCDMO COc1cccc(O)c1CN1CC[N@H+](CCO)[C@H](C)C1 ZINC000779214829 617305393 /nfs/dbraw/zinc/30/53/93/617305393.db2.gz UZIMQKKTYVVYPP-GFCCVEGCSA-N 1 1 280.368 0.899 20 10 CCCDMO COc1cccc(O)c1CN1CC[N@@H+](CCO)[C@H](C)C1 ZINC000779214829 617305395 /nfs/dbraw/zinc/30/53/95/617305395.db2.gz UZIMQKKTYVVYPP-GFCCVEGCSA-N 1 1 280.368 0.899 20 10 CCCDMO CC(=O)C(=O)COC(=O)C1CC[NH+](C2CC2)CC1 ZINC000808548927 613658274 /nfs/dbraw/zinc/65/82/74/613658274.db2.gz MJTQPBQSNILTSZ-UHFFFAOYSA-N 1 1 253.298 0.562 20 10 CCCDMO CCOc1cccc(C[N@@H+]2CCO[C@@H](CC(N)=O)C2)c1O ZINC000862534806 615516511 /nfs/dbraw/zinc/51/65/11/615516511.db2.gz HPPYRTCVKDFMIG-LBPRGKRZSA-N 1 1 294.351 0.867 20 10 CCCDMO CCOc1cccc(C[N@H+]2CCO[C@@H](CC(N)=O)C2)c1O ZINC000862534806 615516513 /nfs/dbraw/zinc/51/65/13/615516513.db2.gz HPPYRTCVKDFMIG-LBPRGKRZSA-N 1 1 294.351 0.867 20 10 CCCDMO CN(C)c1ccc(C[N@@H+](CCO)CCOCCO)cc1 ZINC000839194329 616013928 /nfs/dbraw/zinc/01/39/28/616013928.db2.gz LIBJHEUIQBEQSZ-UHFFFAOYSA-N 1 1 282.384 0.556 20 10 CCCDMO C[N@H+]1CC[C@@H](C(=O)NCc2ccc(O)cc2O)C1 ZINC000910945972 616266651 /nfs/dbraw/zinc/26/66/51/616266651.db2.gz GMIVQTAOWYGCPP-SNVBAGLBSA-N 1 1 250.298 0.666 20 10 CCCDMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCc1ccc(O)cc1O ZINC000910942379 616476942 /nfs/dbraw/zinc/47/69/42/616476942.db2.gz CGIBGSPZARASAY-RISCZKNCSA-N 1 1 280.324 0.169 20 10 CCCDMO CNC(=O)[C@H]1CC[N@@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000894972536 616886835 /nfs/dbraw/zinc/88/68/35/616886835.db2.gz CIXZKSOOBPRWGY-NSHDSACASA-N 1 1 294.351 0.977 20 10 CCCDMO CNS(=O)(=O)CCC[NH2+]Cc1cc(F)cc(F)c1O ZINC000883194918 617012170 /nfs/dbraw/zinc/01/21/70/617012170.db2.gz GIXMQRULONWHOA-UHFFFAOYSA-N 1 1 294.323 0.699 20 10 CCCDMO COCC[N@@H+](CCO)Cc1ccc(OC)c(OC)c1O ZINC000891912803 617018219 /nfs/dbraw/zinc/01/82/19/617018219.db2.gz LLIQFELSHZYMIV-UHFFFAOYSA-N 1 1 285.340 0.850 20 10 CCCDMO C[C@@H]([NH2+]C[C@]1(CO)COCCN1C)c1c(O)cccc1F ZINC000903280734 634550496 /nfs/dbraw/zinc/55/04/96/634550496.db2.gz WHJIOUHZCGNDNT-ABAIWWIYSA-N 1 1 298.358 0.875 20 10 CCCDMO COc1ccc(O)c(C[N@@H+]2C[C@H](C)O[C@H](CO)C2)c1 ZINC000248946750 631537518 /nfs/dbraw/zinc/53/75/18/631537518.db2.gz DMAVJXKXBSLYFF-GWCFXTLKSA-N 1 1 267.325 0.982 20 10 CCCDMO COc1ccc(O)c(C[N@H+]2C[C@H](C)O[C@H](CO)C2)c1 ZINC000248946750 631537528 /nfs/dbraw/zinc/53/75/28/631537528.db2.gz DMAVJXKXBSLYFF-GWCFXTLKSA-N 1 1 267.325 0.982 20 10 CCCDMO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(N)cc1 ZINC000841112463 631587972 /nfs/dbraw/zinc/58/79/72/631587972.db2.gz MMAFQXMIZBAALP-WDEREUQCSA-N 1 1 290.367 0.758 20 10 CCCDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc(N)cc1 ZINC000841112463 631587983 /nfs/dbraw/zinc/58/79/83/631587983.db2.gz MMAFQXMIZBAALP-WDEREUQCSA-N 1 1 290.367 0.758 20 10 CCCDMO C[C@@]1(CO)C[C@H](O)C[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000895325142 632055553 /nfs/dbraw/zinc/05/55/53/632055553.db2.gz OHIILADZODZBDI-ZANVPECISA-N 1 1 273.279 0.988 20 10 CCCDMO OC[C@@H]1C[N@@H+](Cc2c(O)cccc2Cl)C[C@H]1O ZINC000839165391 640303771 /nfs/dbraw/zinc/30/37/71/640303771.db2.gz IXGNKQIQSKVQMS-QPUJVOFHSA-N 1 1 257.717 0.831 20 10 CCCDMO c1cc(N2CCOCC2)ccc1CNC[C@@H]1C[NH2+]CCO1 ZINC000841098501 642803462 /nfs/dbraw/zinc/80/34/62/642803462.db2.gz HCHFDLDQBIZTKQ-INIZCTEOSA-N 1 1 291.395 0.601 20 10 CCCDMO Cc1cc(C)c(O)c(C[N@@H+](C)CCS(N)(=O)=O)c1 ZINC000872823541 646328092 /nfs/dbraw/zinc/32/80/92/646328092.db2.gz WMNLYZIYZZDZTJ-UHFFFAOYSA-N 1 1 272.370 0.729 20 10 CCCDMO COc1cc(C[N@H+](C)CC(=O)N(C)C)c(O)cc1O ZINC001231634919 805823376 /nfs/dbraw/zinc/82/33/76/805823376.db2.gz BMSIEOGVKQEKNP-UHFFFAOYSA-N 1 1 268.313 0.626 20 10 CCCDMO COc1cc(C[N@@H+](C)CC(=O)N(C)C)c(O)cc1O ZINC001231634919 805823385 /nfs/dbraw/zinc/82/33/85/805823385.db2.gz BMSIEOGVKQEKNP-UHFFFAOYSA-N 1 1 268.313 0.626 20 10 CCCDMO CN(C)C(=O)C[N@H+](C)Cc1cc(O)c(O)cc1O ZINC001233485012 806061326 /nfs/dbraw/zinc/06/13/26/806061326.db2.gz FSTIXWHEGGOFSY-UHFFFAOYSA-N 1 1 254.286 0.323 20 10 CCCDMO CN(C)C(=O)C[N@@H+](C)Cc1cc(O)c(O)cc1O ZINC001233485012 806061336 /nfs/dbraw/zinc/06/13/36/806061336.db2.gz FSTIXWHEGGOFSY-UHFFFAOYSA-N 1 1 254.286 0.323 20 10 CCCDMO COc1cc(C)c(C[N@H+]2C[C@H](O)[C@@H](CO)C2)c(O)c1 ZINC001236807647 806611971 /nfs/dbraw/zinc/61/19/71/806611971.db2.gz HLGHGPBHANVWBH-YGRLFVJLSA-N 1 1 267.325 0.494 20 10 CCCDMO CCOc1ccc(C[N@H+]2CC[C@@H](O)[C@@H](CO)C2)c(O)c1 ZINC001237049491 806634487 /nfs/dbraw/zinc/63/44/87/806634487.db2.gz GVNMQZULJNVPNI-TZMCWYRMSA-N 1 1 281.352 0.966 20 10 CCCDMO COC(=O)[C@@H]1C[N@H+](C)CCN1Cc1cc(C)ccc1O ZINC001140623337 799926510 /nfs/dbraw/zinc/92/65/10/799926510.db2.gz MAMYUEHLTXJUSG-ZDUSSCGKSA-N 1 1 278.352 0.990 20 10 CCCDMO COC(=O)[C@@H]1C[N@@H+](C)CCN1Cc1cc(C)ccc1O ZINC001140623337 799926514 /nfs/dbraw/zinc/92/65/14/799926514.db2.gz MAMYUEHLTXJUSG-ZDUSSCGKSA-N 1 1 278.352 0.990 20 10 CCCDMO COc1cc(O)c(C[N@H+]2CC[C@@H](CO)[C@@H](O)C2)c(OC)c1 ZINC001141031576 799974116 /nfs/dbraw/zinc/97/41/16/799974116.db2.gz IDEUAXBPVWJLIS-HZMBPMFUSA-N 1 1 297.351 0.585 20 10 CCCDMO OC[C@@H]1CC[N@@H+](Cc2cc(O)ccc2O)C[C@@H]1O ZINC001141156022 799984312 /nfs/dbraw/zinc/98/43/12/799984312.db2.gz CXYZDQPQPMVLIC-ZANVPECISA-N 1 1 253.298 0.273 20 10 CCCDMO C[C@]1(O)COCC[N@@H+](Cc2cc(O)ccc2O)C1 ZINC001141156730 799985409 /nfs/dbraw/zinc/98/54/09/799985409.db2.gz SFTUDRVHHVVVKI-CYBMUJFWSA-N 1 1 253.298 0.681 20 10 CCCDMO CNC(=O)N[C@H]1CCC[N@@H+](Cc2cc(O)ccc2O)C1 ZINC001141162737 799986998 /nfs/dbraw/zinc/98/69/98/799986998.db2.gz BNSKMBAOJMLANS-NSHDSACASA-N 1 1 279.340 0.991 20 10 CCCDMO CC(=O)N[C@H]1CC[N@@H+](Cc2cc(O)ccc2O)C1 ZINC001141161969 799987365 /nfs/dbraw/zinc/98/73/65/799987365.db2.gz IPXBCGWRXNZPSL-NSHDSACASA-N 1 1 250.298 0.808 20 10 CCCDMO CC[N@@H+]1CC[C@H]1C(=O)NCc1cc(O)ccc1O ZINC001153884663 800686100 /nfs/dbraw/zinc/68/61/00/800686100.db2.gz FEQJQINCTMVIAT-NSHDSACASA-N 1 1 250.298 0.808 20 10 CCCDMO CC[N@H+]1CC[C@H]1C(=O)NCc1cc(O)ccc1O ZINC001153884663 800686103 /nfs/dbraw/zinc/68/61/03/800686103.db2.gz FEQJQINCTMVIAT-NSHDSACASA-N 1 1 250.298 0.808 20 10 CCCDMO COc1cccc(C[N@H+]2C[C@H](O)[C@@H](CO)C2)c1O ZINC001203590497 803036211 /nfs/dbraw/zinc/03/62/11/803036211.db2.gz ZVMXNCXETXZQKO-MNOVXSKESA-N 1 1 253.298 0.186 20 10 CCCDMO COC(=O)[C@@H]1C[N@H+](Cc2cccc(OC)c2O)CCN1C ZINC001203600254 803036730 /nfs/dbraw/zinc/03/67/30/803036730.db2.gz ZVFCQXPLMTURBS-LBPRGKRZSA-N 1 1 294.351 0.690 20 10 CCCDMO COC(=O)[C@@H]1C[N@@H+](Cc2cccc(OC)c2O)CCN1C ZINC001203600254 803036735 /nfs/dbraw/zinc/03/67/35/803036735.db2.gz ZVFCQXPLMTURBS-LBPRGKRZSA-N 1 1 294.351 0.690 20 10 CCCDMO [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2cc(C(=O)[O-])ccc2O)C1 ZINC001205688460 803155982 /nfs/dbraw/zinc/15/59/82/803155982.db2.gz HXOWPSMFIJPSMG-OAHLLOKOSA-N 1 1 294.351 0.766 20 10 CCCDMO Cc1cc(C)c(CNC(=O)[C@@H]([NH3+])Cc2c[nH]cn2)c(O)c1 ZINC001220825424 804673870 /nfs/dbraw/zinc/67/38/70/804673870.db2.gz GYTSMWFEHRKJOH-ZDUSSCGKSA-N 1 1 288.351 0.918 20 10 CCCDMO Oc1cc(O)c(CC[NH2+][C@H]2CCCNC2)cc1O ZINC001246211534 807188210 /nfs/dbraw/zinc/18/82/10/807188210.db2.gz KNBSKMXOHNGLIR-JTQLQIEISA-N 1 1 252.314 0.688 20 10 CCCDMO CC[N@@H+](CCC(N)=O)Cc1ccc(CC(=O)OC)cc1O ZINC001249201242 807546534 /nfs/dbraw/zinc/54/65/34/807546534.db2.gz LSUVBNVEDWXOIX-UHFFFAOYSA-N 1 1 294.351 0.805 20 10 CCCDMO CN(C1COC1)C1C[NH+](Cc2cc(O)ccc2O)C1 ZINC001141159837 811822098 /nfs/dbraw/zinc/82/20/98/811822098.db2.gz MKZYFZMSNGONQL-UHFFFAOYSA-N 1 1 264.325 0.613 20 10 CCCDMO COc1cc(C)c(C[N@H+]2C[C@H](CO)[C@H](CO)C2)c(O)c1 ZINC001183445760 844022256 /nfs/dbraw/zinc/02/22/56/844022256.db2.gz SYUPHECXTJCEDD-TXEJJXNPSA-N 1 1 281.352 0.742 20 10 CCCDMO CN1CCOC[C@@]1(CO)C[NH2+]Cc1cccc(F)c1O ZINC001183847293 844100304 /nfs/dbraw/zinc/10/03/04/844100304.db2.gz ZMLGHVZJJKGHLL-AWEZNQCLSA-N 1 1 284.331 0.314 20 10 CCCDMO CN1CC[N@@H+](C)C[C@@H]1C(=O)N1CCc2cccc(O)c2C1 ZINC001185258468 844384612 /nfs/dbraw/zinc/38/46/12/844384612.db2.gz SXOQEPPUAXLLMI-CQSZACIVSA-N 1 1 289.379 0.523 20 10 CCCDMO C[C@]1(CO)CC[N@@H+](Cc2c(O)cc(O)cc2O)C[C@H]1O ZINC001144504556 840068807 /nfs/dbraw/zinc/06/88/07/840068807.db2.gz UYKFCBSRUCLBND-ZIAGYGMSSA-N 1 1 283.324 0.369 20 10 CCCDMO CC(C)(O)C[NH+]1CCN(Cc2c(O)cc(O)cc2O)CC1 ZINC001144519943 840070591 /nfs/dbraw/zinc/07/05/91/840070591.db2.gz FGGVDAOHBVZHTB-UHFFFAOYSA-N 1 1 296.367 0.692 20 10 CCCDMO CC(=O)N[C@@H]1CCC[N@@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144509263 840073355 /nfs/dbraw/zinc/07/33/55/840073355.db2.gz RBGGKKPLNAYJPW-SNVBAGLBSA-N 1 1 280.324 0.904 20 10 CCCDMO O=C1NCC[C@]12CC[N@H+](Cc1ccc(O)c(O)c1)C2 ZINC001203874748 846891018 /nfs/dbraw/zinc/89/10/18/846891018.db2.gz CGFFJXCCVOYTTB-CQSZACIVSA-N 1 1 262.309 0.810 20 10 CCCDMO Cc1cccc(O)c1C[NH+]1CC2(C1)CN(C)C(=O)CO2 ZINC001274303454 848444940 /nfs/dbraw/zinc/44/49/40/848444940.db2.gz JCRIIBRRSHFPAC-UHFFFAOYSA-N 1 1 276.336 0.744 20 10 CCCDMO COCC[N@H+]1CC[C@H](NC(=O)Cc2ccc(O)c(O)c2)C1 ZINC001293588945 906495713 /nfs/dbraw/zinc/49/57/13/906495713.db2.gz BCFKZBQADZUGJN-LBPRGKRZSA-N 1 1 294.351 0.477 20 10 CCCDMO C[N@@H+](CCO)CCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001317473373 908372652 /nfs/dbraw/zinc/37/26/52/908372652.db2.gz SILPTIZDHDMXIJ-UHFFFAOYSA-N 1 1 293.327 0.503 20 10 CCCDMO C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N(C)c1ccc(N)cc1 ZINC001340847473 922242859 /nfs/dbraw/zinc/24/28/59/922242859.db2.gz KFDWDGYELKHCSA-FZMZJTMJSA-N 1 1 274.368 0.620 20 10 CCCDMO C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1cc(C(=O)[O-])ccc1O ZINC001593250572 994485396 /nfs/dbraw/zinc/48/53/96/994485396.db2.gz ULMPWLHNWYDQBR-ZUZCIYMTSA-N 1 1 294.351 0.808 20 10 CCCDMO C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1cc(C(=O)[O-])ccc1O ZINC001593250572 994485400 /nfs/dbraw/zinc/48/54/00/994485400.db2.gz ULMPWLHNWYDQBR-ZUZCIYMTSA-N 1 1 294.351 0.808 20 10 CCCDMO CN(C)c1ccc(C[N@H+]2C[C@@H](O)C[C@H]2CO)cc1 ZINC000187666125 351551004 /nfs/dbraw/zinc/55/10/04/351551004.db2.gz TUFSDZYSVGJLCV-KBPBESRZSA-N 1 1 250.342 0.680 20 10 CCCDMO CN(C)c1ccc(C[N@H+]2CC[C@@H](NC(N)=O)C2)cc1 ZINC000271384553 353033207 /nfs/dbraw/zinc/03/32/07/353033207.db2.gz RXWXSNWKBUALQY-GFCCVEGCSA-N 1 1 262.357 0.995 20 10 CCCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2COC[C@H]2O)c1 ZINC000296048883 353928623 /nfs/dbraw/zinc/92/86/23/353928623.db2.gz UZALRDJJKJVHJL-RLCGTCKNSA-N 1 1 281.308 0.589 20 10 CCCDMO COC[C@@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)CCO1 ZINC000266115723 389363520 /nfs/dbraw/zinc/36/35/20/389363520.db2.gz UYJDFMCCUHCWQP-NSHDSACASA-N 1 1 281.308 0.968 20 10 CCCDMO COC[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)CCO1 ZINC000266115723 389363523 /nfs/dbraw/zinc/36/35/23/389363523.db2.gz UYJDFMCCUHCWQP-NSHDSACASA-N 1 1 281.308 0.968 20 10 CCCDMO O=C(NCCC[NH+]1CCOCC1)c1cccc(O)c1O ZINC000126245384 260346493 /nfs/dbraw/zinc/34/64/93/260346493.db2.gz UJNCYYMDLDWJSA-UHFFFAOYSA-N 1 1 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CCCDMO C[C@@]1(CO)C[C@@H](O)C[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000895328509 632057943 /nfs/dbraw/zinc/05/79/43/632057943.db2.gz GVHNPHKOQLMBFU-YGRLFVJLSA-N 1 1 281.308 0.439 20 10 CCCDMO C[C@H](NC(=O)C1=CC(=O)CS1)[C@@H]1C[N@H+](C)CCN1C ZINC000896560162 632280513 /nfs/dbraw/zinc/28/05/13/632280513.db2.gz MJQHPNLBWRRXCC-ONGXEEELSA-N 1 1 283.397 0.818 20 10 CCCDMO C[C@H](NC(=O)C1=CC(=O)CS1)[C@@H]1C[N@@H+](C)CCN1C ZINC000896560162 632280516 /nfs/dbraw/zinc/28/05/16/632280516.db2.gz MJQHPNLBWRRXCC-ONGXEEELSA-N 1 1 283.397 0.818 20 10 CCCDMO COc1ccc(N2CC[NH+](CCO)CC2)c(OC)c1 ZINC000058503538 636957143 /nfs/dbraw/zinc/95/71/43/636957143.db2.gz APFMCQBMPUPGMS-UHFFFAOYSA-N 1 1 266.341 0.818 20 10 CCCDMO O=C(/C=C\c1ccc(O)c(O)c1)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000863320078 645079401 /nfs/dbraw/zinc/07/94/01/645079401.db2.gz HDQQBBRFZJLLJD-DTRQGZQOSA-N 1 1 292.335 0.294 20 10 CCCDMO Cc1ccc(C[N@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)c(O)c1 ZINC000877168013 646745403 /nfs/dbraw/zinc/74/54/03/646745403.db2.gz 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COC(=O)[C@H]1C[N@@H+](Cc2ccc(N)cc2)C[C@H]1C(=O)OC ZINC001334753229 919744166 /nfs/dbraw/zinc/74/41/66/919744166.db2.gz BIWUFYGNMNIKHI-BETUJISGSA-N 1 1 292.335 0.663 20 10 CCCDMO NC(=O)C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000070975645 295045041 /nfs/dbraw/zinc/04/50/41/295045041.db2.gz SDHFVKMXYZJLQV-LBPRGKRZSA-N 1 1 264.325 0.859 20 10 CCCDMO COCC[N@@H+](CCO)Cc1cc(OC)ccc1O ZINC000180025573 389665366 /nfs/dbraw/zinc/66/53/66/389665366.db2.gz SQPJVBBZSPELTI-UHFFFAOYSA-N 1 1 255.314 0.842 20 10 CCCDMO NC(=O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000070975645 295045040 /nfs/dbraw/zinc/04/50/40/295045040.db2.gz SDHFVKMXYZJLQV-LBPRGKRZSA-N 1 1 264.325 0.859 20 10 CCCDMO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000274229276 328209958 /nfs/dbraw/zinc/20/99/58/328209958.db2.gz RRFRERWFEKLSFY-IINYFYTJSA-N 1 1 294.351 0.476 20 10 CCCDMO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000274229276 328209960 /nfs/dbraw/zinc/20/99/60/328209960.db2.gz RRFRERWFEKLSFY-IINYFYTJSA-N 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CCOc1cccc(C[N@@H+](C)CCS(N)(=O)=O)c1O ZINC000877827536 615515798 /nfs/dbraw/zinc/51/57/98/615515798.db2.gz ZTVQDYXPRYMUPG-UHFFFAOYSA-N 1 1 288.369 0.511 20 10 CCCDMO CC[C@H]([NH2+]CC(=O)N1CCNCC1)c1ccccc1O ZINC000817946351 615817710 /nfs/dbraw/zinc/81/77/10/615817710.db2.gz XDDWFZAICVYTEC-ZDUSSCGKSA-N 1 1 277.368 0.865 20 10 CCCDMO CN(C)c1ccc(C[N@H+]2CCN(C)[C@H](CO)C2)cc1 ZINC000931400652 616013955 /nfs/dbraw/zinc/01/39/55/616013955.db2.gz AWQNONXORNGBSH-HNNXBMFYSA-N 1 1 263.385 0.861 20 10 CCCDMO CN(C)c1ccc(CN2CC[N@H+](C)[C@H](CO)C2)cc1 ZINC000931400652 616013956 /nfs/dbraw/zinc/01/39/56/616013956.db2.gz AWQNONXORNGBSH-HNNXBMFYSA-N 1 1 263.385 0.861 20 10 CCCDMO CN(C)c1ccc(CN2CC[N@@H+](C)[C@H](CO)C2)cc1 ZINC000931400652 616013957 /nfs/dbraw/zinc/01/39/57/616013957.db2.gz AWQNONXORNGBSH-HNNXBMFYSA-N 1 1 263.385 0.861 20 10 CCCDMO C[N@@H+](CCC(N)=O)Cc1ccc(N2CCOCC2)cc1 ZINC000016387331 616069708 /nfs/dbraw/zinc/06/97/08/616069708.db2.gz XLINMYNZPFQCOE-UHFFFAOYSA-N 1 1 277.368 0.830 20 10 CCCDMO C[N@@H+](CCO)CCNC(=O)Nc1ccc(N)cc1 ZINC000886960855 616104353 /nfs/dbraw/zinc/10/43/53/616104353.db2.gz FOYRERODMWLUOD-UHFFFAOYSA-N 1 1 252.318 0.314 20 10 CCCDMO C[N@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C[C@@H](O)C[NH3+] ZINC000841092286 616164683 /nfs/dbraw/zinc/16/46/83/616164683.db2.gz MBAXOTVECZLRFV-VIFPVBQESA-N 1 1 289.719 0.705 20 10 CCCDMO C[N@H+](Cc1ccccc1O)C[C@H](O)C[C@@]1(O)CCOC1 ZINC000929976313 616171084 /nfs/dbraw/zinc/17/10/84/616171084.db2.gz MYVBFFIUUUJOIA-HIFRSBDPSA-N 1 1 281.352 0.726 20 10 CCCDMO C[N@H+]1CCN(Cc2cc3c(cc2O)OCO3)[C@H](CO)C1 ZINC000877644048 616245338 /nfs/dbraw/zinc/24/53/38/616245338.db2.gz LEZNDWGZPJPJRL-NSHDSACASA-N 1 1 280.324 0.229 20 10 CCCDMO COC(=O)[C@@]1(O)CC[N@@H+](Cc2c(C)cccc2O)C1 ZINC000895702547 616561076 /nfs/dbraw/zinc/56/10/76/616561076.db2.gz QGNYSQXSNIZORF-CQSZACIVSA-N 1 1 265.309 0.810 20 10 CCCDMO COC(=O)CNC(=O)C[NH2+]Cc1cc(F)cc(F)c1O ZINC000895451990 616597621 /nfs/dbraw/zinc/59/76/21/616597621.db2.gz OIXKPOLUWXNJNF-UHFFFAOYSA-N 1 1 288.250 0.049 20 10 CCCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2COC[C@@H]2O)c1 ZINC000866421031 616918325 /nfs/dbraw/zinc/91/83/25/616918325.db2.gz UZALRDJJKJVHJL-KDDOJWQBSA-N 1 1 281.308 0.589 20 10 CCCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2CNOC2)c1 ZINC000925870247 616918630 /nfs/dbraw/zinc/91/86/30/616918630.db2.gz UYVFMYMJWKEAEU-WPRPVWTQSA-N 1 1 266.297 0.733 20 10 CCCDMO COC[C@@H]1C[C@@H](O)C[N@H+]1Cc1cc(OC)c(OC)cc1O ZINC000846046790 616992289 /nfs/dbraw/zinc/99/22/89/616992289.db2.gz BEJFJXQCDDNMHM-NWDGAFQWSA-N 1 1 297.351 0.991 20 10 CCCDMO OC[C@@H]1CC[N@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000902631435 634420632 /nfs/dbraw/zinc/42/06/32/634420632.db2.gz HVGZEPNQVAOGRC-JOYOIKCWSA-N 1 1 251.282 0.385 20 10 CCCDMO C[C@H]1NC(=O)N(CC[N@@H+](C)Cc2ccccc2O)C1=O ZINC000838895216 640278580 /nfs/dbraw/zinc/27/85/80/640278580.db2.gz LTMZJRCYOCMCLN-SNVBAGLBSA-N 1 1 277.324 0.764 20 10 CCCDMO OC[C@]1(O)CCC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000839160249 640307114 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OC[C@H]1CC[N@@H+](Cc2cc(F)ccc2O)C[C@@H]1O ZINC001140057683 799877413 /nfs/dbraw/zinc/87/74/13/799877413.db2.gz KBNWGCXMTXCYTL-RNCFNFMXSA-N 1 1 255.289 0.706 20 10 CCCDMO C[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)C[C@H](O)CO ZINC001140283894 799901323 /nfs/dbraw/zinc/90/13/23/799901323.db2.gz FVPUXTOATNEBTM-INIZCTEOSA-N 1 1 294.395 0.433 20 10 CCCDMO COC(=O)[C@H]1C[N@@H+](Cc2cc(C)ccc2O)CCN1C ZINC001140623202 799927172 /nfs/dbraw/zinc/92/71/72/799927172.db2.gz KMPWUOKTHSMYCH-CYBMUJFWSA-N 1 1 278.352 0.990 20 10 CCCDMO Cc1c(O)ccc(C[N@H+]2CC[C@@H](O)[C@@](C)(CO)C2)c1O ZINC001140744217 799937322 /nfs/dbraw/zinc/93/73/22/799937322.db2.gz PSWIKUXPZIFYEB-UKRRQHHQSA-N 1 1 281.352 0.971 20 10 CCCDMO Cc1c(O)ccc(CN2CC[NH+](CCCO)CC2)c1O ZINC001140744412 799937563 /nfs/dbraw/zinc/93/75/63/799937563.db2.gz WQGGLYLXAHWDEF-UHFFFAOYSA-N 1 1 280.368 0.906 20 10 CCCDMO CN1CCOc2cc(C[N@H+]3CC[C@H](O)[C@@H](CO)C3)ccc21 ZINC001141140900 799984623 /nfs/dbraw/zinc/98/46/23/799984623.db2.gz RHVUDWWAWAUKDV-HIFRSBDPSA-N 1 1 292.379 0.690 20 10 CCCDMO CN1CCOc2cc(C[N@H+]3CC[C@H](O)[C@H](CO)C3)ccc21 ZINC001141140991 799984707 /nfs/dbraw/zinc/98/47/07/799984707.db2.gz RHVUDWWAWAUKDV-ZFWWWQNUSA-N 1 1 292.379 0.690 20 10 CCCDMO CN1CCOc2cc(C[N@H+]3CC[C@@H](C(N)=O)C3)ccc21 ZINC001141144008 799985536 /nfs/dbraw/zinc/98/55/36/799985536.db2.gz SICPLINZFHKOTK-GFCCVEGCSA-N 1 1 275.352 0.822 20 10 CCCDMO CN1CC[N@@H+](Cc2cc(O)ccc2O)CCC1=O ZINC001141159980 799986536 /nfs/dbraw/zinc/98/65/36/799986536.db2.gz NZNLUQWAPWQLJM-UHFFFAOYSA-N 1 1 250.298 0.762 20 10 CCCDMO O=C(CNc1ncnc2c1C[NH2+]C2)c1ccc(O)c(O)c1 ZINC001159276181 801783862 /nfs/dbraw/zinc/78/38/62/801783862.db2.gz FXMJEQZFOPHRRC-UHFFFAOYSA-N 1 1 286.291 0.786 20 10 CCCDMO COc1ccc(C[NH+]2CC(N3CCOCC3)C2)c(O)c1 ZINC001203628065 803039298 /nfs/dbraw/zinc/03/92/98/803039298.db2.gz YEHRSZNRYSKXKK-UHFFFAOYSA-N 1 1 278.352 0.917 20 10 CCCDMO C[C@]1(CO)CC[N@@H+](Cc2ccc(O)cc2O)C[C@@H]1O ZINC001204276954 803075992 /nfs/dbraw/zinc/07/59/92/803075992.db2.gz UQKZHWZCXHBOKP-UONOGXRCSA-N 1 1 267.325 0.663 20 10 CCCDMO CC(=O)c1cc(F)cc(C[N@H+]2C[C@H](CO)[C@H](O)C2)c1O ZINC000316401570 804699198 /nfs/dbraw/zinc/69/91/98/804699198.db2.gz HDHIXPCDKVICSD-ZWNOBZJWSA-N 1 1 283.299 0.519 20 10 CCCDMO CC(=O)c1cc(F)cc(C[N@@H+]2C[C@H](CO)[C@H](O)C2)c1O ZINC000316401570 804699201 /nfs/dbraw/zinc/69/92/01/804699201.db2.gz HDHIXPCDKVICSD-ZWNOBZJWSA-N 1 1 283.299 0.519 20 10 CCCDMO NC(=O)C[C@@H]1C[C@@H]2C[N@@H+](Cc3ccc(O)cc3O)C[C@@H]2O1 ZINC001277192020 805332840 /nfs/dbraw/zinc/33/28/40/805332840.db2.gz JLHAOTAGBGHTCH-OSMZGAPFSA-N 1 1 292.335 0.563 20 10 CCCDMO CC(C)(C)[NH2+]C[C@@H](O)CNCCc1ccc(O)c(O)c1 ZINC001253404786 808060478 /nfs/dbraw/zinc/06/04/78/808060478.db2.gz HDRILEOKCJRYJC-LBPRGKRZSA-N 1 1 282.384 0.979 20 10 CCCDMO C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(O)c(O)c3O)[C@@H]2C1 ZINC001270068458 813611787 /nfs/dbraw/zinc/61/17/87/813611787.db2.gz UDFLNMCVJALNCL-WCBMZHEXSA-N 1 1 278.308 0.580 20 10 CCCDMO COc1cc(O)c(C[N@H+]2C[C@H](O)[C@@H](CO)C2)cc1Cl 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/nfs/dbraw/zinc/00/80/60/844008060.db2.gz XQFGUIKKFXNEGR-DTORHVGOSA-N 1 1 296.273 0.717 20 10 CCCDMO COCC[N@H+]1CCC[C@@H](NC(=O)c2cccc(O)c2O)C1 ZINC000399220580 854502933 /nfs/dbraw/zinc/50/29/33/854502933.db2.gz BSKAVCVZKTWTTR-LLVKDONJSA-N 1 1 294.351 0.938 20 10 CCCDMO O[C@@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)C[C@@H]1O ZINC001319713270 910266700 /nfs/dbraw/zinc/26/67/00/910266700.db2.gz WENRLIVJHVHIDP-GASCZTMLSA-N 1 1 262.353 0.824 20 10 CCCDMO CN(C(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1)c1cnn(C)c1 ZINC001330591531 916724559 /nfs/dbraw/zinc/72/45/59/916724559.db2.gz JZWUYHQFRKBGAJ-VIFPVBQESA-N 1 1 274.328 0.497 20 10 CCCDMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N(C)Cc1ccccc1O ZINC001349310902 924929564 /nfs/dbraw/zinc/92/95/64/924929564.db2.gz MTNZWCURCIIQOG-OCCSQVGLSA-N 1 1 289.379 0.739 20 10 CCCDMO CNS(=O)(=O)[C@H]1CC[N@@H+](Cc2cc(C)ccc2O)C1 ZINC000092068425 349482775 /nfs/dbraw/zinc/48/27/75/349482775.db2.gz AEEZSGGRMLHWLW-LBPRGKRZSA-N 1 1 284.381 0.824 20 10 CCCDMO COCCOC[C@@H](O)C[N@@H+](C)Cc1ccccc1O ZINC000294973483 199277868 /nfs/dbraw/zinc/27/78/68/199277868.db2.gz OOMOKILQRPKMAC-ZDUSSCGKSA-N 1 1 269.341 0.848 20 10 CCCDMO COc1ccc(N2CCN(CCCNC(N)=[NH2+])CC2)cc1 ZINC000071647987 348910211 /nfs/dbraw/zinc/91/02/11/348910211.db2.gz HTBIYJJIDOBPHV-UHFFFAOYSA-N 1 1 291.399 0.690 20 10 CCCDMO COc1ccc(O)c(C[N@H+]2C[C@@H](O)C[C@H]2CO)c1 ZINC000187671033 351553124 /nfs/dbraw/zinc/55/31/24/351553124.db2.gz PGOPAKQOELNNOE-QWRGUYRKSA-N 1 1 253.298 0.328 20 10 CCCDMO Cc1ccc(C(=O)NC[C@H]2C[N@H+](C)CCN2C)c(O)c1O ZINC000271230526 353032421 /nfs/dbraw/zinc/03/24/21/353032421.db2.gz BADIZQRMCJVVLK-NSHDSACASA-N 1 1 293.367 0.382 20 10 CCCDMO C[N@@H+](CCCC(=O)NC(N)=O)Cc1ccccc1O ZINC000171936915 389482383 /nfs/dbraw/zinc/48/23/83/389482383.db2.gz RWZYRVUTMPPODH-UHFFFAOYSA-N 1 1 265.313 0.799 20 10 CCCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@H](S(N)(=O)=O)C2)c1 ZINC000372747361 389455943 /nfs/dbraw/zinc/45/59/43/389455943.db2.gz XZQMRCFWTVCFGN-LBPRGKRZSA-N 1 1 284.381 0.954 20 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FTRIQTGWGAEQIE-ZIAGYGMSSA-N 1 1 291.395 0.852 20 10 CCCDMO C[N@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H](O)CO ZINC000929185572 616167166 /nfs/dbraw/zinc/16/71/66/616167166.db2.gz OFNUIGGGFVNNFZ-HNNXBMFYSA-N 1 1 280.368 0.308 20 10 CCCDMO COCCNCC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000841048505 616510446 /nfs/dbraw/zinc/51/04/46/616510446.db2.gz PRFCETCKHUQFMF-UHFFFAOYSA-N 1 1 293.411 0.849 20 10 CCCDMO COc1c(O)c(C[NH2+]C/C=C\CO)ccc1[N+](=O)[O-] ZINC000826943706 617149347 /nfs/dbraw/zinc/14/93/47/617149347.db2.gz YRFMJFMDUSSERH-IHWYPQMZSA-N 1 1 268.269 0.947 20 10 CCCDMO CC(=O)N[C@H]1CC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000228356494 625391460 /nfs/dbraw/zinc/39/14/60/625391460.db2.gz KUYWWZJYZTTXFA-NSHDSACASA-N 1 1 278.308 0.831 20 10 CCCDMO C[C@@H]1[C@H](C)N(C(=O)C(=O)Nc2ccc(N)cc2)CC[N@H+]1C ZINC000841112461 631589091 /nfs/dbraw/zinc/58/90/91/631589091.db2.gz MMAFQXMIZBAALP-MNOVXSKESA-N 1 1 290.367 0.758 20 10 CCCDMO C[C@@H]1[C@H](C)N(C(=O)C(=O)Nc2ccc(N)cc2)CC[N@@H+]1C ZINC000841112461 631589095 /nfs/dbraw/zinc/58/90/95/631589095.db2.gz MMAFQXMIZBAALP-MNOVXSKESA-N 1 1 290.367 0.758 20 10 CCCDMO OC[C@H]1C[N@H+](Cc2cc(F)cc(F)c2O)CC[C@@H]1O ZINC000895015798 631894828 /nfs/dbraw/zinc/89/48/28/631894828.db2.gz YYGVBUUWEOJUNE-SKDRFNHKSA-N 1 1 273.279 0.846 20 10 CCCDMO OC[C@H]1C[N@@H+](Cc2cc(F)cc(F)c2O)CC[C@@H]1O ZINC000895015798 631894831 /nfs/dbraw/zinc/89/48/31/631894831.db2.gz YYGVBUUWEOJUNE-SKDRFNHKSA-N 1 1 273.279 0.846 20 10 CCCDMO OC[C@H]1C[N@H+](Cc2cc(F)cc(F)c2O)C[C@H]1CO ZINC000895462565 632085109 /nfs/dbraw/zinc/08/51/09/632085109.db2.gz QRRZVTZQYGFZDW-AOOOYVTPSA-N 1 1 273.279 0.703 20 10 CCCDMO OC[C@H]1C[N@@H+](Cc2cc(F)cc(F)c2O)C[C@H]1CO ZINC000895462565 632085112 /nfs/dbraw/zinc/08/51/12/632085112.db2.gz QRRZVTZQYGFZDW-AOOOYVTPSA-N 1 1 273.279 0.703 20 10 CCCDMO COc1cc(C)cc(C[N@@H+]2CCO[C@@H](C(N)=O)C2)c1O ZINC000164234178 636863455 /nfs/dbraw/zinc/86/34/55/636863455.db2.gz AUZLSRKBJFUHNF-GFCCVEGCSA-N 1 1 280.324 0.395 20 10 CCCDMO COc1cc(C)cc(C[N@H+]2CCO[C@@H](C(N)=O)C2)c1O ZINC000164234178 636863458 /nfs/dbraw/zinc/86/34/58/636863458.db2.gz AUZLSRKBJFUHNF-GFCCVEGCSA-N 1 1 280.324 0.395 20 10 CCCDMO COc1cccc(O)c1CNC[C@@H]1C[NH2+]CCO1 ZINC000841099213 642803451 /nfs/dbraw/zinc/80/34/51/642803451.db2.gz MCIWOSLMURKDSM-JTQLQIEISA-N 1 1 252.314 0.479 20 10 CCCDMO O=C(C1=CC(=O)CS1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000861715120 644915714 /nfs/dbraw/zinc/91/57/14/644915714.db2.gz LARZOLIKBAOLKP-UWVGGRQHSA-N 1 1 282.365 0.735 20 10 CCCDMO O=C(C1=CC(=O)CS1)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000861715120 644915723 /nfs/dbraw/zinc/91/57/23/644915723.db2.gz LARZOLIKBAOLKP-UWVGGRQHSA-N 1 1 282.365 0.735 20 10 CCCDMO Cc1ccc(C[N@H+]2CCC[C@H](S(N)(=O)=O)C2)c(O)c1 ZINC000877343330 646800378 /nfs/dbraw/zinc/80/03/78/646800378.db2.gz KPMBTHHFTIWPNO-LBPRGKRZSA-N 1 1 284.381 0.954 20 10 CCCDMO C[C@H]([NH2+]CC(=O)N1CCN(C)CC1)c1c(O)cccc1F ZINC000886516675 647985081 /nfs/dbraw/zinc/98/50/81/647985081.db2.gz 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ZINC000182456041 389709454 /nfs/dbraw/zinc/70/94/54/389709454.db2.gz RVBNDJSTNDCKHE-CYBMUJFWSA-N 1 1 264.325 0.647 20 10 CCCDMO Cc1cccc(C[N@@H+](C)CC(=O)N2CCOCC2)c1O ZINC000179586824 389660250 /nfs/dbraw/zinc/66/02/50/389660250.db2.gz VVFFFQZLUFBJSI-UHFFFAOYSA-N 1 1 278.352 0.991 20 10 CCCDMO COCC[N@@H+](C)CCNC(=O)Cc1ccc(N)cc1 ZINC000061374523 523588632 /nfs/dbraw/zinc/58/86/32/523588632.db2.gz LUUHMWLEIAVNSI-UHFFFAOYSA-N 1 1 265.357 0.506 20 10 CCCDMO CNC(=O)CCC[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278943057 524064981 /nfs/dbraw/zinc/06/49/81/524064981.db2.gz YCDXWKTVAPSWDO-UHFFFAOYSA-N 1 1 297.311 0.925 20 10 CCCDMO COc1cccc(O)c1C[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000770383159 581740560 /nfs/dbraw/zinc/74/05/60/581740560.db2.gz TYQRHRXEGOPFGK-VIFPVBQESA-N 1 1 265.313 0.643 20 10 CCCDMO Cc1cccc(C[N@H+]2CCC[C@H]2CS(N)(=O)=O)c1O ZINC000775697334 582034509 /nfs/dbraw/zinc/03/45/09/582034509.db2.gz ZMOWSJQABVEWSZ-LBPRGKRZSA-N 1 1 284.381 0.954 20 10 CCCDMO 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298.350 0.773 20 10 CCCDMO CN1CC(=O)N(CC[N@@H+](C)Cc2ccccc2O)C1=O ZINC000851841119 616084996 /nfs/dbraw/zinc/08/49/96/616084996.db2.gz NGAPLGHMUCLJEK-UHFFFAOYSA-N 1 1 277.324 0.718 20 10 CCCDMO C[N@H+]1CCC[C@](O)(CC(=O)NCc2ccc(O)c(O)c2)C1 ZINC000901130545 616218587 /nfs/dbraw/zinc/21/85/87/616218587.db2.gz CVQKXXRXVJCWHY-HNNXBMFYSA-N 1 1 294.351 0.561 20 10 CCCDMO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](Cc2ccccc2O)C1 ZINC000843434403 616424055 /nfs/dbraw/zinc/42/40/55/616424055.db2.gz KRZDHDXHOKHEQT-VXGBXAGGSA-N 1 1 265.309 0.748 20 10 CCCDMO CO[C@@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)C[C@H]1O ZINC000825016743 616775980 /nfs/dbraw/zinc/77/59/80/616775980.db2.gz HGWIURJTIGLOFW-HZPDHXFCSA-N 1 1 292.379 0.715 20 10 CCCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H]2CNOC2)c1 ZINC000925862578 616918058 /nfs/dbraw/zinc/91/80/58/616918058.db2.gz UYVFMYMJWKEAEU-PSASIEDQSA-N 1 1 266.297 0.733 20 10 CCCDMO OC[C@H]1CC[N@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000902631436 634420946 /nfs/dbraw/zinc/42/09/46/634420946.db2.gz HVGZEPNQVAOGRC-SKDRFNHKSA-N 1 1 251.282 0.385 20 10 CCCDMO C[C@H](O)[C@H](O)C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000929184145 633455402 /nfs/dbraw/zinc/45/54/02/633455402.db2.gz CFLBCJYQDBAVJN-XJKSGUPXSA-N 1 1 294.395 0.697 20 10 CCCDMO O[C@@H]1COCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000824620428 641835580 /nfs/dbraw/zinc/83/55/80/641835580.db2.gz ODJLYMJFXNAWDT-INIZCTEOSA-N 1 1 292.379 0.716 20 10 CCCDMO C[N@H+](Cc1cccc(Br)c1[O-])C[C@@H](O)C[NH3+] ZINC000841094647 642802965 /nfs/dbraw/zinc/80/29/65/642802965.db2.gz ZWQPZYSUWMNOEJ-VIFPVBQESA-N 1 1 289.173 0.906 20 10 CCCDMO C[C@@H](Cc1ccc(O)c(O)c1)Nc1nc(N)nc(N)[nH+]1 ZINC000858476742 644624854 /nfs/dbraw/zinc/62/48/54/644624854.db2.gz NVRXPRYOVNZJFU-LURJTMIESA-N 1 1 276.300 0.490 20 10 CCCDMO Nc1ccc(CCNC(=O)NCC[N@H+]2CC[C@H](O)C2)cc1 ZINC000861639862 644900967 /nfs/dbraw/zinc/90/09/67/644900967.db2.gz HVNNBRSUEYKTPQ-AWEZNQCLSA-N 1 1 292.383 0.177 20 10 CCCDMO 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COC(=O)Cc1ccc(CN2CC[N@H+]3CC[C@@H]3C2)c(O)c1 ZINC001249217631 807547366 /nfs/dbraw/zinc/54/73/66/807547366.db2.gz QTKKBMXSSWZNRR-CQSZACIVSA-N 1 1 290.363 0.998 20 10 CCCDMO COC(=O)Cc1ccc(C[N@@H+]2CCN3CC[C@@H]3C2)c(O)c1 ZINC001249217631 807547370 /nfs/dbraw/zinc/54/73/70/807547370.db2.gz QTKKBMXSSWZNRR-CQSZACIVSA-N 1 1 290.363 0.998 20 10 CCCDMO COC(=O)Cc1ccc(C[N@H+]2CCN3CC[C@@H]3C2)c(O)c1 ZINC001249217631 807547376 /nfs/dbraw/zinc/54/73/76/807547376.db2.gz QTKKBMXSSWZNRR-CQSZACIVSA-N 1 1 290.363 0.998 20 10 CCCDMO COC(=O)[C@H]1C[N@H+](C)CCN1Cc1ccc(C)cc1O ZINC001140953487 811579759 /nfs/dbraw/zinc/57/97/59/811579759.db2.gz ATYKSUNXTSYOFT-CYBMUJFWSA-N 1 1 278.352 0.990 20 10 CCCDMO COC(=O)[C@H]1C[N@@H+](C)CCN1Cc1ccc(C)cc1O ZINC001140953487 811579766 /nfs/dbraw/zinc/57/97/66/811579766.db2.gz ATYKSUNXTSYOFT-CYBMUJFWSA-N 1 1 278.352 0.990 20 10 CCCDMO COc1cc(O)c(C[N@H+]2CCOC[C@@H](O)C2)c(OC)c1 ZINC001141031443 811672522 /nfs/dbraw/zinc/67/25/22/811672522.db2.gz DXKXMWSYJYHLIU-JTQLQIEISA-N 1 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Cc1cccc(C[N@@H+]2C[C@@H](C)O[C@H](C(N)=O)C2)c1O ZINC000180726230 389674144 /nfs/dbraw/zinc/67/41/44/389674144.db2.gz HBQCQQXVCXYQRH-PWSUYJOCSA-N 1 1 264.325 0.775 20 10 CCCDMO CNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000376168097 389730667 /nfs/dbraw/zinc/73/06/67/389730667.db2.gz VBVFVWNMHQXCPZ-LLVKDONJSA-N 1 1 288.344 0.655 20 10 CCCDMO CC[N@@H+]1CCO[C@@H](C(=O)NCCc2ccc(N)cc2)C1 ZINC000236898564 521705525 /nfs/dbraw/zinc/70/55/25/521705525.db2.gz DKBVNZSSHUJNIV-CQSZACIVSA-N 1 1 277.368 0.648 20 10 CCCDMO CC[N@H+]1CCO[C@@H](C(=O)NCCc2ccc(N)cc2)C1 ZINC000236898564 521705527 /nfs/dbraw/zinc/70/55/27/521705527.db2.gz DKBVNZSSHUJNIV-CQSZACIVSA-N 1 1 277.368 0.648 20 10 CCCDMO COc1c(O)c(C[NH2+]CCCO)ccc1[N+](=O)[O-] ZINC000278882456 521873924 /nfs/dbraw/zinc/87/39/24/521873924.db2.gz OEYUWJDVNRTWBX-UHFFFAOYSA-N 1 1 256.258 0.781 20 10 CCCDMO C[C@H](C(=O)N(C)Cc1ccccc1O)N1CC[NH+](C)CC1 ZINC000263676194 525941008 /nfs/dbraw/zinc/94/10/08/525941008.db2.gz MBVPXXPHMQTVRX-CYBMUJFWSA-N 1 1 291.395 0.987 20 10 CCCDMO CN(C)c1ccc(C[N@@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)cc1 ZINC000779432935 581185390 /nfs/dbraw/zinc/18/53/90/581185390.db2.gz LYSRQRWUDXUPGW-ZDUSSCGKSA-N 1 1 288.351 0.489 20 10 CCCDMO CN(C)c1ccc(C[N@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)cc1 ZINC000779432935 581185391 /nfs/dbraw/zinc/18/53/91/581185391.db2.gz LYSRQRWUDXUPGW-ZDUSSCGKSA-N 1 1 288.351 0.489 20 10 CCCDMO CC1(C)CN(C(=O)c2cccc(O)c2O)CC[N@@H+]1CCO ZINC000781680413 581274049 /nfs/dbraw/zinc/27/40/49/581274049.db2.gz RWMAYLDARIQDTP-UHFFFAOYSA-N 1 1 294.351 0.627 20 10 CCCDMO CC1(C)CN(C(=O)c2cccc(O)c2O)CC[N@H+]1CCO ZINC000781680413 581274051 /nfs/dbraw/zinc/27/40/51/581274051.db2.gz RWMAYLDARIQDTP-UHFFFAOYSA-N 1 1 294.351 0.627 20 10 CCCDMO CCOc1cccc(C[NH+]2CCN(C(=O)CO)CC2)c1O ZINC000793593700 581304201 /nfs/dbraw/zinc/30/42/01/581304201.db2.gz PNEZDQUXYOMGML-UHFFFAOYSA-N 1 1 294.351 0.427 20 10 CCCDMO COc1ccc(O)c([C@H](C)Nc2nc(N)nc(N)[nH+]2)c1 ZINC000858391485 617274407 /nfs/dbraw/zinc/27/44/07/617274407.db2.gz 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KFDWDGYELKHCSA-BXUZGUMPSA-N 1 1 274.368 0.620 20 10 CCCDMO C[C@@H]1Cn2nc(C(=O)NCCc3ccc(N)cc3)cc2C[NH2+]1 ZINC001356498459 926394475 /nfs/dbraw/zinc/39/44/75/926394475.db2.gz FWLHFHPLMHTIEP-LLVKDONJSA-N 1 1 299.378 0.930 20 10 CCCDMO CCOc1cccc(C[N@H+]2C[C@@H](O)C[C@H]2CO)c1O ZINC000187662969 351551066 /nfs/dbraw/zinc/55/10/66/351551066.db2.gz XWVDTADMWARYDC-RYUDHWBXSA-N 1 1 267.325 0.718 20 10 CCCDMO CC[N@H+](CC(N)=O)Cc1cc2c(cc1O)OCO2 ZINC000188466524 351598949 /nfs/dbraw/zinc/59/89/49/351598949.db2.gz FBURRIMYZKYHPJ-UHFFFAOYSA-N 1 1 252.270 0.428 20 10 CCCDMO CC[N@@H+](CC(N)=O)Cc1cc2c(cc1O)OCO2 ZINC000188466524 351598950 /nfs/dbraw/zinc/59/89/50/351598950.db2.gz FBURRIMYZKYHPJ-UHFFFAOYSA-N 1 1 252.270 0.428 20 10 CCCDMO C[N@@H+](CCOCCO)Cc1cc2c(cc1O)OCO2 ZINC000282722315 353447691 /nfs/dbraw/zinc/44/76/91/353447691.db2.gz LPKSRAQBEPPLGZ-UHFFFAOYSA-N 1 1 269.297 0.562 20 10 CCCDMO C[C@]1(F)C[NH2+]CCN(C(=O)Cc2ccc(N)cc2)C1 ZINC000295274630 353892511 /nfs/dbraw/zinc/89/25/11/353892511.db2.gz SIBFCYZIHZATJJ-AWEZNQCLSA-N 1 1 265.332 0.971 20 10 CCCDMO C[C@@H]1CC(=O)NCC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000367671438 357275810 /nfs/dbraw/zinc/27/58/10/357275810.db2.gz PILANERSKQDAGN-SECBINFHSA-N 1 1 278.308 0.831 20 10 CCCDMO COCC[N@H+](CC(=O)N(C)C)Cc1cccc(OC)c1O ZINC000091774289 389025273 /nfs/dbraw/zinc/02/52/73/389025273.db2.gz PNTKNOLRHXWNAM-UHFFFAOYSA-N 1 1 296.367 0.937 20 10 CCCDMO COCC[N@@H+](CC(=O)N(C)C)Cc1cccc(OC)c1O ZINC000091774289 389025277 /nfs/dbraw/zinc/02/52/77/389025277.db2.gz PNTKNOLRHXWNAM-UHFFFAOYSA-N 1 1 296.367 0.937 20 10 CCCDMO Cc1ccc(O)c(C[N@@H+]2C[C@@H](C)O[C@@H](C(N)=O)C2)c1 ZINC000092007821 389026888 /nfs/dbraw/zinc/02/68/88/389026888.db2.gz SLMAUVOOSUQROD-ZWNOBZJWSA-N 1 1 264.325 0.775 20 10 CCCDMO C[NH+]1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 ZINC000301585230 389055428 /nfs/dbraw/zinc/05/54/28/389055428.db2.gz AVBPPKMBAACTEL-UHFFFAOYSA-N 1 1 292.295 0.678 20 10 CCCDMO CCOc1ccc(O)c(C[N@@H+](CCO)CCCO)c1 ZINC000093324138 389037054 /nfs/dbraw/zinc/03/70/54/389037054.db2.gz FKHAJOOMTYHZMT-UHFFFAOYSA-N 1 1 269.341 0.968 20 10 CCCDMO OC[C@@H]1C[C@@H](O)C[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000372287805 389447157 /nfs/dbraw/zinc/44/71/57/389447157.db2.gz HTBMJZFVWCFROP-VHSXEESVSA-N 1 1 267.281 0.048 20 10 CCCDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)[C@H]1CCNC1=O ZINC000179305227 389652626 /nfs/dbraw/zinc/65/26/26/389652626.db2.gz MLLMENQHKSFHOP-HNNXBMFYSA-N 1 1 289.379 0.844 20 10 CCCDMO Cc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C(N)=O)C2)c1O ZINC000180726251 389674258 /nfs/dbraw/zinc/67/42/58/389674258.db2.gz HBQCQQXVCXYQRH-ZYHUDNBSSA-N 1 1 264.325 0.775 20 10 CCCDMO COc1ccc(O)c(C[N@H+]2CC[C@H]3OCC(=O)N[C@@H]3C2)c1 ZINC000377224282 268057548 /nfs/dbraw/zinc/05/75/48/268057548.db2.gz NIWGJRFICDHBBZ-TZMCWYRMSA-N 1 1 292.335 0.490 20 10 CCCDMO COc1c(O)c(C[N@H+]2CC[C@@H](C(N)=O)C2)ccc1[N+](=O)[O-] ZINC000278242785 521868964 /nfs/dbraw/zinc/86/89/64/521868964.db2.gz OBPIFXUXXDATAB-SECBINFHSA-N 1 1 295.295 0.616 20 10 CCCDMO O=C1NC[C@H]2C[N@H+](Cc3cc4c(cc3O)OCO4)CCN12 ZINC000211298535 527077837 /nfs/dbraw/zinc/07/78/37/527077837.db2.gz BKSDFJHDRIECSZ-JTQLQIEISA-N 1 1 291.307 0.330 20 10 CCCDMO O=C1NC[C@H]2C[N@@H+](Cc3cc4c(cc3O)OCO4)CCN12 ZINC000211298535 527077839 /nfs/dbraw/zinc/07/78/39/527077839.db2.gz BKSDFJHDRIECSZ-JTQLQIEISA-N 1 1 291.307 0.330 20 10 CCCDMO NS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1ccccc1O ZINC000779017637 581172805 /nfs/dbraw/zinc/17/28/05/581172805.db2.gz JKDIHHZTTRMNEM-NSHDSACASA-N 1 1 270.354 0.645 20 10 CCCDMO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1ccccc1O ZINC000779030912 581173250 /nfs/dbraw/zinc/17/32/50/581173250.db2.gz PSYXHDGVHLZBPC-LBPRGKRZSA-N 1 1 284.381 0.906 20 10 CCCDMO COc1cccc(O)c1C[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000769218908 581677571 /nfs/dbraw/zinc/67/75/71/581677571.db2.gz WJXCCOREFWGDKZ-LBPRGKRZSA-N 1 1 266.297 0.087 20 10 CCCDMO COc1cccc(O)c1C[N@H+]1CCO[C@H](C(N)=O)C1 ZINC000769218908 581677573 /nfs/dbraw/zinc/67/75/73/581677573.db2.gz WJXCCOREFWGDKZ-LBPRGKRZSA-N 1 1 266.297 0.087 20 10 CCCDMO COc1cccc(O)c1C[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000770383158 581740869 /nfs/dbraw/zinc/74/08/69/581740869.db2.gz TYQRHRXEGOPFGK-SECBINFHSA-N 1 1 265.313 0.643 20 10 CCCDMO COc1ccc(O)c(C[N@H+]2C[C@@H]3OCCN(C)[C@H]3C2)c1 ZINC000775717886 582034905 /nfs/dbraw/zinc/03/49/05/582034905.db2.gz TVWIGKQVMHBMFZ-ZFWWWQNUSA-N 1 1 278.352 0.916 20 10 CCCDMO COc1cc(C)cc(C[N@H+]2CC[C@H](O)[C@H](CO)C2)c1O ZINC000895014700 617175690 /nfs/dbraw/zinc/17/56/90/617175690.db2.gz MBKKXWNEUCJBNU-STQMWFEESA-N 1 1 281.352 0.884 20 10 CCCDMO COc1cc(O)c(CNC2CC([NH3+])C2)cc1OC ZINC000906509567 617207661 /nfs/dbraw/zinc/20/76/61/617207661.db2.gz JTSKQRJKZSKDDA-UHFFFAOYSA-N 1 1 252.314 0.989 20 10 CCCDMO COc1ccc(C[N@@H+](C)[C@H]2CCNC2=O)c(O)c1OC ZINC000892242818 617248601 /nfs/dbraw/zinc/24/86/01/617248601.db2.gz VVPRDFOPBAGYPR-JTQLQIEISA-N 1 1 280.324 0.730 20 10 CCCDMO COc1ccc(C[NH2+][C@@]2(C(N)=O)CCOC2)cc1C ZINC000930888976 617259802 /nfs/dbraw/zinc/25/98/02/617259802.db2.gz DFVWQGLUNYWXTM-AWEZNQCLSA-N 1 1 264.325 0.738 20 10 CCCDMO COc1ccc(N2CCN(CCOCC[NH3+])CC2)cc1F ZINC000844221227 617267757 /nfs/dbraw/zinc/26/77/57/617267757.db2.gz KSKGYPHZOPLDLO-UHFFFAOYSA-N 1 1 297.374 0.932 20 10 CCCDMO COc1cccc(C[N@H+](C)CCS(N)(=O)=O)c1O ZINC000877826502 617296816 /nfs/dbraw/zinc/29/68/16/617296816.db2.gz DIFMEKSYYDYACP-UHFFFAOYSA-N 1 1 274.342 0.121 20 10 CCCDMO COc1cccc(C[N@@H+](C)CCS(N)(=O)=O)c1O ZINC000877826502 617296817 /nfs/dbraw/zinc/29/68/17/617296817.db2.gz DIFMEKSYYDYACP-UHFFFAOYSA-N 1 1 274.342 0.121 20 10 CCCDMO CCN(C)c1ccc(C[N@H+]2C[C@@H](O)[C@H](CO)C2)cc1 ZINC000839171596 614921332 /nfs/dbraw/zinc/92/13/32/614921332.db2.gz HWYQVHCMWRBTSR-DZGCQCFKSA-N 1 1 264.369 0.928 20 10 CCCDMO CCc1cccc(C[N@H+]2C[C@H](CO)[C@H](CO)C2)c1O ZINC000877763557 615682974 /nfs/dbraw/zinc/68/29/74/615682974.db2.gz BRCIYUIISVPMOS-OKILXGFUSA-N 1 1 265.353 0.987 20 10 CCCDMO CCc1cccc(C[N@H+]2CCO[C@@H](C(=O)NC)C2)c1O ZINC000848902569 615683123 /nfs/dbraw/zinc/68/31/23/615683123.db2.gz PSFJUMVKNJZYTG-CYBMUJFWSA-N 1 1 278.352 0.901 20 10 CCCDMO C[NH+]1CCN(C(=O)NCCc2ccc(N)cc2)CC1 ZINC000841962034 616225569 /nfs/dbraw/zinc/22/55/69/616225569.db2.gz LWHVTMIVOSYNGT-UHFFFAOYSA-N 1 1 262.357 0.768 20 10 CCCDMO CN1CCN(c2ccc(CN3CC[NH2+]CC3)cc2)CC1 ZINC000019726916 616247007 /nfs/dbraw/zinc/24/70/07/616247007.db2.gz WBBPQHKVEMVKIN-UHFFFAOYSA-N 1 1 274.412 0.844 20 10 CCCDMO CN1CCN(c2ccc(CNC(=O)NCC[NH3+])cc2)CC1 ZINC000891977047 616247027 /nfs/dbraw/zinc/24/70/27/616247027.db2.gz IODBYKOCWUEUGX-UHFFFAOYSA-N 1 1 291.399 0.196 20 10 CCCDMO C[N@@H+]1CCO[C@H](C(=O)NCc2ccc(O)cc2O)C1 ZINC000910950526 616259402 /nfs/dbraw/zinc/25/94/02/616259402.db2.gz GSVWFGYZKHZARN-LBPRGKRZSA-N 1 1 266.297 0.045 20 10 CCCDMO C[N@H+]1CCO[C@H](C(=O)NCc2ccc(O)cc2O)C1 ZINC000910950526 616259403 /nfs/dbraw/zinc/25/94/03/616259403.db2.gz GSVWFGYZKHZARN-LBPRGKRZSA-N 1 1 266.297 0.045 20 10 CCCDMO COC(=O)[C@@]1(O)CC[N@@H+](Cc2cc(C)ccc2O)C1 ZINC000895705730 616561186 /nfs/dbraw/zinc/56/11/86/616561186.db2.gz BAPSCBMLKQXYMO-CQSZACIVSA-N 1 1 265.309 0.810 20 10 CCCDMO COC(=O)[C@H]1C[C@@H](O)C[N@@H+](Cc2ccccc2O)C1 ZINC000843434398 616707223 /nfs/dbraw/zinc/70/72/23/616707223.db2.gz KRZDHDXHOKHEQT-NWDGAFQWSA-N 1 1 265.309 0.748 20 10 CCCDMO COC(=O)[C@]1(O)CC[N@@H+](Cc2cc(OC)ccc2O)C1 ZINC000895702967 616785879 /nfs/dbraw/zinc/78/58/79/616785879.db2.gz IFSHTRVPPIACRG-AWEZNQCLSA-N 1 1 281.308 0.511 20 10 CCCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2COCCN2)c1 ZINC000863545470 616918519 /nfs/dbraw/zinc/91/85/19/616918519.db2.gz SKKGPPJFYVJZBA-ZYHUDNBSSA-N 1 1 294.351 0.818 20 10 CCCDMO C[C@H](NC(=O)c1cccc(O)c1O)[C@H]1C[N@@H+](C)CCN1C ZINC000896550019 632280337 /nfs/dbraw/zinc/28/03/37/632280337.db2.gz WRQMYOUIAOMBMA-CMPLNLGQSA-N 1 1 293.367 0.462 20 10 CCCDMO C[C@H]([NH2+]CC(=O)N1CCNCC1)c1ccccc1O ZINC000817945750 641281048 /nfs/dbraw/zinc/28/10/48/641281048.db2.gz KUADSDXGOBJCOY-NSHDSACASA-N 1 1 263.341 0.475 20 10 CCCDMO Nc1ccc(CCNC(=O)NCC(F)(F)C[NH3+])cc1 ZINC000841955851 642860907 /nfs/dbraw/zinc/86/09/07/642860907.db2.gz PUAGXPHTJYIUPB-UHFFFAOYSA-N 1 1 272.299 0.705 20 10 CCCDMO Cc1ccc(O)c(CNC(=O)[C@H]2C[N@H+](C)CCO2)c1 ZINC000862760883 645034431 /nfs/dbraw/zinc/03/44/31/645034431.db2.gz XDQLWXYJWZCBKC-CYBMUJFWSA-N 1 1 264.325 0.647 20 10 CCCDMO Cc1ccc(O)c(CNC(=O)[C@H]2C[N@@H+](C)CCO2)c1 ZINC000862760883 645034441 /nfs/dbraw/zinc/03/44/41/645034441.db2.gz XDQLWXYJWZCBKC-CYBMUJFWSA-N 1 1 264.325 0.647 20 10 CCCDMO Oc1c(F)cc(F)cc1C[NH2+][C@@H]1C[C@@H](O)[C@@H](O)C1 ZINC000886249251 647936178 /nfs/dbraw/zinc/93/61/78/647936178.db2.gz GGLZPIZOJLIEFR-UIKWRGBMSA-N 1 1 259.252 0.644 20 10 CCCDMO CC[N@@H+](CC(N)=O)Cc1ccc(N2CCOCC2)cc1 ZINC000188073378 649340680 /nfs/dbraw/zinc/34/06/80/649340680.db2.gz UXBDFRXVXLKSSU-UHFFFAOYSA-N 1 1 277.368 0.830 20 10 CCCDMO COc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](CO)C2)c1O ZINC000191532209 649482318 /nfs/dbraw/zinc/48/23/18/649482318.db2.gz NIPFDNOYDKTHGZ-ZYHUDNBSSA-N 1 1 267.325 0.982 20 10 CCCDMO COc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](CO)C2)c1O ZINC000191532209 649482322 /nfs/dbraw/zinc/48/23/22/649482322.db2.gz NIPFDNOYDKTHGZ-ZYHUDNBSSA-N 1 1 267.325 0.982 20 10 CCCDMO COc1cc(C[NH+]2CCN(C3COC3)CC2)c(O)cc1O ZINC001231634193 805822425 /nfs/dbraw/zinc/82/24/25/805822425.db2.gz IYLNVTZRGLVQKU-UHFFFAOYSA-N 1 1 294.351 0.623 20 10 CCCDMO COc1cc(C[N@@H+]2CCNC(=O)CC2)c(O)cc1O ZINC001231634517 805822665 /nfs/dbraw/zinc/82/26/65/805822665.db2.gz OJZUDAQWWDLGNL-UHFFFAOYSA-N 1 1 266.297 0.428 20 10 CCCDMO COc1cc(C[N@H+]2CCNC(=O)CC2)c(O)cc1O ZINC001231634517 805822676 /nfs/dbraw/zinc/82/26/76/805822676.db2.gz OJZUDAQWWDLGNL-UHFFFAOYSA-N 1 1 266.297 0.428 20 10 CCCDMO COc1cc(C[N@H+]2CC[C@H](NC(C)=O)C2)c(O)cc1O ZINC001231639580 805825870 /nfs/dbraw/zinc/82/58/70/805825870.db2.gz VEHULRFOYPFBCF-NSHDSACASA-N 1 1 280.324 0.817 20 10 CCCDMO CN(C)c1ccc(C[N@@H+]2CCO[C@H](CO)C2)c(O)c1 ZINC001232835083 805986469 /nfs/dbraw/zinc/98/64/69/805986469.db2.gz VEKHULRJPLXXRK-ZDUSSCGKSA-N 1 1 266.341 0.651 20 10 CCCDMO CN(C)c1ccc(C[N@H+]2CCO[C@H](CO)C2)c(O)c1 ZINC001232835083 805986471 /nfs/dbraw/zinc/98/64/71/805986471.db2.gz VEKHULRJPLXXRK-ZDUSSCGKSA-N 1 1 266.341 0.651 20 10 CCCDMO COC(=O)[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2O)C[C@@H]1N ZINC001236361247 806587757 /nfs/dbraw/zinc/58/77/57/806587757.db2.gz XOHNDAVVIKZWPG-STQMWFEESA-N 1 1 293.367 0.390 20 10 CCCDMO COC(=O)[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2O)C[C@@H]1N ZINC001236361247 806587764 /nfs/dbraw/zinc/58/77/64/806587764.db2.gz XOHNDAVVIKZWPG-STQMWFEESA-N 1 1 293.367 0.390 20 10 CCCDMO COc1ccc(C[N@H+](C)C[C@H](O)CO)c(O)c1Cl ZINC001236802217 806610466 /nfs/dbraw/zinc/61/04/66/806610466.db2.gz PFRSSNSQWDTIOO-VIFPVBQESA-N 1 1 275.732 0.839 20 10 CCCDMO COc1ccc(C[N@@H+](C)C[C@H](O)CO)c(O)c1Cl ZINC001236802217 806610474 /nfs/dbraw/zinc/61/04/74/806610474.db2.gz PFRSSNSQWDTIOO-VIFPVBQESA-N 1 1 275.732 0.839 20 10 CCCDMO O=C(CC[NH+]1CCOCC1)NCc1cccc(O)c1O ZINC001123888296 799495114 /nfs/dbraw/zinc/49/51/14/799495114.db2.gz HJIIMPRTONVMEW-UHFFFAOYSA-N 1 1 280.324 0.436 20 10 CCCDMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1Cc2cccc(O)c2C1 ZINC001123947592 799513412 /nfs/dbraw/zinc/51/34/12/799513412.db2.gz UONCCYJOLIYUGB-RISCZKNCSA-N 1 1 287.363 0.623 20 10 CCCDMO Cc1cc(C[N@@H+](C)C[C@H](O)CO)ccc1N(C)C ZINC001139669921 799828494 /nfs/dbraw/zinc/82/84/94/799828494.db2.gz DNTXOBKDYURYJZ-ZDUSSCGKSA-N 1 1 252.358 0.846 20 10 CCCDMO NC(=O)[C@H]1CCCC[N@@H+]1Cc1cc(O)ccc1O ZINC001141158452 799985510 /nfs/dbraw/zinc/98/55/10/799985510.db2.gz ADRHMNWTMUSQMF-LLVKDONJSA-N 1 1 250.298 0.938 20 10 CCCDMO NC(=O)[C@H]1CCCC[N@H+]1Cc1cc(O)ccc1O ZINC001141158452 799985515 /nfs/dbraw/zinc/98/55/15/799985515.db2.gz ADRHMNWTMUSQMF-LLVKDONJSA-N 1 1 250.298 0.938 20 10 CCCDMO Oc1ccc(O)c(C[NH+]2CCN(c3ncncn3)CC2)c1 ZINC001141161162 799986802 /nfs/dbraw/zinc/98/68/02/799986802.db2.gz BAJCDBHLFMIYJJ-UHFFFAOYSA-N 1 1 287.323 0.605 20 10 CCCDMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)c1cccc(O)c1O ZINC000837192046 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O=C1NCC[C@H]2C[N@H+](Cc3ccc(O)cc3O)C[C@@H]12 ZINC001204280597 803076715 /nfs/dbraw/zinc/07/67/15/803076715.db2.gz LEPVYLYHFRSAJS-JOYOIKCWSA-N 1 1 262.309 0.666 20 10 CCCDMO CNC(=O)N[C@@H]1CC[N@@H+](Cc2cc(OC)ccc2O)C1 ZINC001205291080 803133182 /nfs/dbraw/zinc/13/31/82/803133182.db2.gz FGYMBAPEVKDLII-LLVKDONJSA-N 1 1 279.340 0.904 20 10 CCCDMO Cc1cc(=O)oc2c1ccc(O)c2CN1C[C@@H]([NH3+])[C@H](O)C1 ZINC001205353002 803136612 /nfs/dbraw/zinc/13/66/12/803136612.db2.gz UJVAKMMSEYBYNP-DGCLKSJQSA-N 1 1 290.319 0.311 20 10 CCCDMO [NH3+][C@@H]1CN(Cc2c(O)cc(F)cc2F)CC[C@H]1O ZINC001206092492 803205907 /nfs/dbraw/zinc/20/59/07/803205907.db2.gz JMDXLQMFJYFHPU-GHMZBOCLSA-N 1 1 258.268 0.564 20 10 CCCDMO CN1CCCc2cc(CN3C[C@@H](O)[C@@H](C[NH3+])C3)ccc21 ZINC001206467993 803246831 /nfs/dbraw/zinc/24/68/31/803246831.db2.gz FLODVWKJHYDYTL-GOEBONIOSA-N 1 1 275.396 0.820 20 10 CCCDMO C[N@H+]1CCC2(CN(Cc3cc(O)c(O)cc3O)C2)C1 ZINC001276516392 803368089 /nfs/dbraw/zinc/36/80/89/803368089.db2.gz 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ZINC001204341855 843824899 /nfs/dbraw/zinc/82/48/99/843824899.db2.gz HDVSCYBVIXZAHP-UHFFFAOYSA-N 1 1 296.367 0.870 20 10 CCCDMO CN1CC[C@]2(CC[N@@H+](Cc3cc(O)c(O)c(O)c3)C2)C1=O ZINC001274836544 848573915 /nfs/dbraw/zinc/57/39/15/848573915.db2.gz JHKGHPXLQIHWFY-OAHLLOKOSA-N 1 1 292.335 0.858 20 10 CCCDMO CN(C)C(=O)CN1CCC12C[NH+](Cc1ccccc1O)C2 ZINC001275267032 848681178 /nfs/dbraw/zinc/68/11/78/848681178.db2.gz JMDNSCFSNNRMLT-UHFFFAOYSA-N 1 1 289.379 0.741 20 10 CCCDMO CN1CCO[C@H]2C[N@H+](Cc3ccc(O)c(O)c3)C[C@@H]21 ZINC001275820931 848835283 /nfs/dbraw/zinc/83/52/83/848835283.db2.gz AZTHACPJRIERQA-FZMZJTMJSA-N 1 1 264.325 0.613 20 10 CCCDMO CN1CCO[C@H]2C[N@@H+](Cc3ccc(O)c(O)c3)C[C@@H]21 ZINC001275820931 848835288 /nfs/dbraw/zinc/83/52/88/848835288.db2.gz AZTHACPJRIERQA-FZMZJTMJSA-N 1 1 264.325 0.613 20 10 CCCDMO C[C@@H]1[C@H](NC(=O)c2cccc(O)c2O)CC[N@H+]1C ZINC000719336380 849308165 /nfs/dbraw/zinc/30/81/65/849308165.db2.gz IDIMAKNUHYKECJ-PSASIEDQSA-N 1 1 250.298 0.920 20 10 CCCDMO C[C@@H](C(=O)NCc1ccc(N)cc1)N1CC[NH+](C)CC1 ZINC001343471836 923336266 /nfs/dbraw/zinc/33/62/66/923336266.db2.gz DDQDSULNWVRSID-LBPRGKRZSA-N 1 1 276.384 0.521 20 10 CCCDMO C[C@@H](C(N)=O)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000015571745 348041877 /nfs/dbraw/zinc/04/18/77/348041877.db2.gz YXTRCCCHAWABDI-LBPRGKRZSA-N 1 1 277.368 0.829 20 10 CCCDMO O=C1NC(=O)[C@]2(CCC[N@H+](Cc3ccccc3O)C2)N1 ZINC000193468950 389070812 /nfs/dbraw/zinc/07/08/12/389070812.db2.gz NGZXNWAHGUWSKI-CQSZACIVSA-N 1 1 275.308 0.566 20 10 CCCDMO CC(=O)c1cc(F)cc(C[N@@H+]2C[C@H](O)C[C@H]2CO)c1O ZINC000248389400 389245506 /nfs/dbraw/zinc/24/55/06/389245506.db2.gz GIJXVOQOBFUBAT-NWDGAFQWSA-N 1 1 283.299 0.661 20 10 CCCDMO CC(=O)c1cc(F)cc(C[N@H+]2C[C@H](O)C[C@H]2CO)c1O ZINC000248389400 389245510 /nfs/dbraw/zinc/24/55/10/389245510.db2.gz GIJXVOQOBFUBAT-NWDGAFQWSA-N 1 1 283.299 0.661 20 10 CCCDMO COc1ccc(O)c(C[NH+]2CCN(C(=O)[C@H](C)O)CC2)c1 ZINC000180497488 389671134 /nfs/dbraw/zinc/67/11/34/389671134.db2.gz 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634738162 /nfs/dbraw/zinc/73/81/62/634738162.db2.gz QHHUYVJNXRASOB-UHFFFAOYSA-N 1 1 253.321 0.526 20 10 CCCDMO Oc1cc2c(cc1CN1CC([N@H+]3CC[C@@H](O)C3)C1)OCO2 ZINC000843422589 643053275 /nfs/dbraw/zinc/05/32/75/643053275.db2.gz VMTIHHWTLSWLPG-GFCCVEGCSA-N 1 1 292.335 0.372 20 10 CCCDMO Cc1cccc(O)c1C[N@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000877577491 646825556 /nfs/dbraw/zinc/82/55/56/646825556.db2.gz FFGLCAPWELAJIC-JSGCOSHPSA-N 1 1 276.336 0.790 20 10 CCCDMO C[C@H]([NH2+]C[C@H](O)CS(C)(=O)=O)c1c(O)cccc1F ZINC000927030685 648540403 /nfs/dbraw/zinc/54/04/03/648540403.db2.gz XZSWEHAOWLIUBJ-IUCAKERBSA-N 1 1 291.344 0.587 20 10 CCCDMO COc1ccc(O)c(CNC(=O)[C@H]2C[N@H+](C)CCO2)c1 ZINC000081959472 649586996 /nfs/dbraw/zinc/58/69/96/649586996.db2.gz XHASWCLWXKBWSA-CYBMUJFWSA-N 1 1 280.324 0.348 20 10 CCCDMO COc1ccc(O)c(CNC(=O)[C@H]2C[N@@H+](C)CCO2)c1 ZINC000081959472 649586997 /nfs/dbraw/zinc/58/69/97/649586997.db2.gz XHASWCLWXKBWSA-CYBMUJFWSA-N 1 1 280.324 0.348 20 10 CCCDMO COc1ccc(C[N@@H+]2C[C@@H]3C(C(N)=O)=NO[C@@H]3C2)c(O)c1 ZINC001277454328 805597244 /nfs/dbraw/zinc/59/72/44/805597244.db2.gz RCFKVGWAIQGIBM-CMPLNLGQSA-N 1 1 291.307 0.073 20 10 CCCDMO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](O)[C@@H](CO)C2)c1O ZINC000396850719 790551365 /nfs/dbraw/zinc/55/13/65/790551365.db2.gz KRWYKEYWDUWOJO-BXUZGUMPSA-N 1 1 297.326 0.909 20 10 CCCDMO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](O)[C@@H](CO)C2)c1O ZINC000396850719 790551369 /nfs/dbraw/zinc/55/13/69/790551369.db2.gz KRWYKEYWDUWOJO-BXUZGUMPSA-N 1 1 297.326 0.909 20 10 CCCDMO CN(C)c1ccc(C[N@@H+](C)C[C@@H](O)CO)c(O)c1 ZINC001232838180 805985518 /nfs/dbraw/zinc/98/55/18/805985518.db2.gz HNHPOMDONYIERX-GFCCVEGCSA-N 1 1 254.330 0.243 20 10 CCCDMO OC[C@@H]1C[C@@H](F)C[N@@H+]1Cc1cc(O)c(O)cc1O ZINC001233483421 806060248 /nfs/dbraw/zinc/06/02/48/806060248.db2.gz YTNDNGDJTFCKLE-BDAKNGLRSA-N 1 1 257.261 0.708 20 10 CCCDMO OC[C@@H]1C[C@@H](F)C[N@H+]1Cc1cc(O)c(O)cc1O ZINC001233483421 806060257 /nfs/dbraw/zinc/06/02/57/806060257.db2.gz YTNDNGDJTFCKLE-BDAKNGLRSA-N 1 1 257.261 0.708 20 10 CCCDMO COC(=O)[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2O)C[C@H]1N ZINC001236361241 806587482 /nfs/dbraw/zinc/58/74/82/806587482.db2.gz XOHNDAVVIKZWPG-QWHCGFSZSA-N 1 1 293.367 0.390 20 10 CCCDMO COC(=O)[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2O)C[C@H]1N ZINC001236361241 806587489 /nfs/dbraw/zinc/58/74/89/806587489.db2.gz XOHNDAVVIKZWPG-QWHCGFSZSA-N 1 1 293.367 0.390 20 10 CCCDMO COc1cc(O)c(C[N@@H+](C)C[C@@H](O)CO)cc1OC ZINC001236752619 806607627 /nfs/dbraw/zinc/60/76/27/806607627.db2.gz YHQSMBUXOMBOSQ-SNVBAGLBSA-N 1 1 271.313 0.194 20 10 CCCDMO CCOc1ccc(C[NH+]2CCN(C(N)=O)CC2)c(O)c1 ZINC001237042440 806633503 /nfs/dbraw/zinc/63/35/03/806633503.db2.gz VQCSKMTZROZQTL-UHFFFAOYSA-N 1 1 279.340 0.987 20 10 CCCDMO CCOc1ccc(C[N@H+]2CC[C@@H](O)[C@H](CO)C2)c(O)c1 ZINC001237049485 806635551 /nfs/dbraw/zinc/63/55/51/806635551.db2.gz GVNMQZULJNVPNI-GXTWGEPZSA-N 1 1 281.352 0.966 20 10 CCCDMO COC(=O)[C@@H]1C[N@H+](Cc2cc(F)ccc2O)CCN1C ZINC001140058929 799877977 /nfs/dbraw/zinc/87/79/77/799877977.db2.gz PFRYYOJFFSRCOY-LBPRGKRZSA-N 1 1 282.315 0.820 20 10 CCCDMO COC(=O)[C@@H]1C[N@@H+](Cc2cc(F)ccc2O)CCN1C ZINC001140058929 799877986 /nfs/dbraw/zinc/87/79/86/799877986.db2.gz PFRYYOJFFSRCOY-LBPRGKRZSA-N 1 1 282.315 0.820 20 10 CCCDMO Cc1ccc(C[N@H+]2CC[C@@H](CO)[C@@H](O)C2)c(O)c1 ZINC001140947791 799964239 /nfs/dbraw/zinc/96/42/39/799964239.db2.gz FUXVVRKRVRQKPU-JSGCOSHPSA-N 1 1 251.326 0.876 20 10 CCCDMO NC(=O)[C@]12C[C@H]1CC[N@@H+]2Cc1cc(F)ccc1O ZINC001278255047 806792015 /nfs/dbraw/zinc/79/20/15/806792015.db2.gz MXUPSMVDCORJHR-RNCFNFMXSA-N 1 1 250.273 0.981 20 10 CCCDMO NC(=O)[C@]12C[C@H]1CC[N@H+]2Cc1cc(F)ccc1O ZINC001278255047 806792019 /nfs/dbraw/zinc/79/20/19/806792019.db2.gz MXUPSMVDCORJHR-RNCFNFMXSA-N 1 1 250.273 0.981 20 10 CCCDMO Cc1cc(N(C(N)=[NH2+])C(=O)Cc2ccc(N)cc2)n[nH]1 ZINC001157439864 801381536 /nfs/dbraw/zinc/38/15/36/801381536.db2.gz OHFPZXJZLNOXDB-UHFFFAOYSA-N 1 1 272.312 0.769 20 10 CCCDMO CN1CCOc2cc(C[N@@H+]3CCNC(=O)CC3)ccc21 ZINC001141139280 811800783 /nfs/dbraw/zinc/80/07/83/811800783.db2.gz PYHXYMWWTAOHFC-UHFFFAOYSA-N 1 1 275.352 0.837 20 10 CCCDMO CN1CCOc2cc(C[N@H+]3CCNC(=O)CC3)ccc21 ZINC001141139280 811800787 /nfs/dbraw/zinc/80/07/87/811800787.db2.gz PYHXYMWWTAOHFC-UHFFFAOYSA-N 1 1 275.352 0.837 20 10 CCCDMO C[C@@]1(CO)CC[N@@H+](Cc2ccc(O)c(O)c2)C[C@H]1O ZINC001203875111 803049397 /nfs/dbraw/zinc/04/93/97/803049397.db2.gz HMVKITCYAVOAOT-KGLIPLIRSA-N 1 1 267.325 0.663 20 10 CCCDMO C[C@]1(O)COCC[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203875542 803049961 /nfs/dbraw/zinc/04/99/61/803049961.db2.gz PLTLIHZBXGWFKG-CYBMUJFWSA-N 1 1 253.298 0.681 20 10 CCCDMO C[C@]1(O)COCC[N@@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203875542 803049970 /nfs/dbraw/zinc/04/99/70/803049970.db2.gz PLTLIHZBXGWFKG-CYBMUJFWSA-N 1 1 253.298 0.681 20 10 CCCDMO CS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc(O)cc2O)C1 ZINC001204275315 803074844 /nfs/dbraw/zinc/07/48/44/803074844.db2.gz OMRWPUBOLBFOLV-NSHDSACASA-N 1 1 271.338 0.717 20 10 CCCDMO CS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc(O)cc2O)C1 ZINC001204275315 803074848 /nfs/dbraw/zinc/07/48/48/803074848.db2.gz OMRWPUBOLBFOLV-NSHDSACASA-N 1 1 271.338 0.717 20 10 CCCDMO CN1CCN(C2C[NH+](Cc3ccc(O)cc3O)C2)CC1=O ZINC001204279429 803075792 /nfs/dbraw/zinc/07/57/92/803075792.db2.gz YWBZFFWPQIHKKZ-UHFFFAOYSA-N 1 1 291.351 0.056 20 10 CCCDMO Oc1ccc(C[N@H+]2CCN3CCOC[C@@H]3C2)c(O)c1 ZINC001204276058 803077294 /nfs/dbraw/zinc/07/72/94/803077294.db2.gz FEQKQGHOHBNDBL-LBPRGKRZSA-N 1 1 264.325 0.614 20 10 CCCDMO CNC(=O)CC[N@@H+](C)Cc1cc(O)c(O)c(OC)c1 ZINC001204345241 803081015 /nfs/dbraw/zinc/08/10/15/803081015.db2.gz PYZWCUKKCWJXDY-UHFFFAOYSA-N 1 1 268.313 0.674 20 10 CCCDMO [NH3+]C[C@H]1C[N@H+](Cc2ccc(F)c(F)c2[O-])C[C@H]1O ZINC001206480533 803249674 /nfs/dbraw/zinc/24/96/74/803249674.db2.gz AMSUAVALCRWQJI-WCBMZHEXSA-N 1 1 258.268 0.422 20 10 CCCDMO [NH3+]C[C@H]1C[N@@H+](Cc2ccc(F)c(F)c2[O-])C[C@H]1O ZINC001206480533 803249678 /nfs/dbraw/zinc/24/96/78/803249678.db2.gz AMSUAVALCRWQJI-WCBMZHEXSA-N 1 1 258.268 0.422 20 10 CCCDMO COC(=O)[C@H](O)C[N@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001252428473 807842254 /nfs/dbraw/zinc/84/22/54/807842254.db2.gz PTGALZAKAPQSMV-CYBMUJFWSA-N 1 1 281.308 0.380 20 10 CCCDMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1C(=O)CSC1=S ZINC001268909850 813141167 /nfs/dbraw/zinc/14/11/67/813141167.db2.gz PTZWKYMGAGDZFN-DTORHVGOSA-N 1 1 299.421 0.152 20 10 CCCDMO C[N@H+]1C[C@@H]2CCN(C(=O)c3cc(O)c(O)c(O)c3)[C@@H]2C1 ZINC001270069818 813613049 /nfs/dbraw/zinc/61/30/49/813613049.db2.gz RCFAQJMZLIVVLJ-WCBMZHEXSA-N 1 1 278.308 0.580 20 10 CCCDMO COC(=O)[C@H]1C[N@@H+](Cc2c(C)ccc(C)c2O)C[C@H]1N ZINC001236348884 817276930 /nfs/dbraw/zinc/27/69/30/817276930.db2.gz NHYJRJODWYNVTA-QWHCGFSZSA-N 1 1 278.352 0.941 20 10 CCCDMO COC(=O)[C@H]1CN(Cc2c(C)ccc(C)c2O)C[C@H]1[NH3+] ZINC001236348884 817276937 /nfs/dbraw/zinc/27/69/37/817276937.db2.gz NHYJRJODWYNVTA-QWHCGFSZSA-N 1 1 278.352 0.941 20 10 CCCDMO CCOc1cccc(C[N@H+]2CC[C@@H](O)[C@H](CO)C2)c1O ZINC001203602431 844312422 /nfs/dbraw/zinc/31/24/22/844312422.db2.gz WORDFQOQKPJAQG-QWHCGFSZSA-N 1 1 281.352 0.966 20 10 CCCDMO COCC(=O)N1CC[NH+](Cc2ccc(N)cc2)CC1 ZINC000220716236 839660147 /nfs/dbraw/zinc/66/01/47/839660147.db2.gz DVRZLAMUDQYUDE-UHFFFAOYSA-N 1 1 263.341 0.559 20 10 CCCDMO Oc1cc(O)c(C[N@@H+]2CC[C@@H](O)[C@@H](F)C2)c(O)c1 ZINC001144504617 840068681 /nfs/dbraw/zinc/06/86/81/840068681.db2.gz XFDNNQRJBJLNPE-VHSXEESVSA-N 1 1 257.261 0.708 20 10 CCCDMO CCOC(=O)[C@H]1C[N@H+](Cc2c(O)cc(O)cc2O)CCO1 ZINC001144514936 840074554 /nfs/dbraw/zinc/07/45/54/840074554.db2.gz YEJRLPOITZQJNB-CYBMUJFWSA-N 1 1 297.307 0.567 20 10 CCCDMO CCOC(=O)[C@H]1C[N@@H+](Cc2c(O)cc(O)cc2O)CCO1 ZINC001144514936 840074560 /nfs/dbraw/zinc/07/45/60/840074560.db2.gz YEJRLPOITZQJNB-CYBMUJFWSA-N 1 1 297.307 0.567 20 10 CCCDMO COc1cc(C(=O)N[C@H]2CCC[N@@H+](C)C2)cc(O)c1O ZINC001193114589 845982565 /nfs/dbraw/zinc/98/25/65/845982565.db2.gz WTFCOSLUPOFQCJ-JTQLQIEISA-N 1 1 280.324 0.930 20 10 CCCDMO CN1CCO[C@H]2C[N@@H+](Cc3c(O)cc(O)cc3O)C[C@@H]21 ZINC001275113036 848640880 /nfs/dbraw/zinc/64/08/80/848640880.db2.gz YXGMWLHUJQUYQD-FZMZJTMJSA-N 1 1 280.324 0.318 20 10 CCCDMO COc1cc(C(=O)NC2C[NH+](C(C)C)C2)cc(OC)n1 ZINC001030614985 895775924 /nfs/dbraw/zinc/77/59/24/895775924.db2.gz UURAWFLNKDOBAQ-UHFFFAOYSA-N 1 1 279.340 0.921 20 10 CCCDMO [NH3+]C[C@]1(O)CCC[N@@H+](Cc2ccc(O)cc2O)CC1 ZINC001205210560 897414917 /nfs/dbraw/zinc/41/49/17/897414917.db2.gz PYJQNFKDPWZWQH-AWEZNQCLSA-N 1 1 266.341 0.774 20 10 CCCDMO CCc1cccc(C[N@@H+](C)CCNS(C)(=O)=O)c1O ZINC001327195905 914412598 /nfs/dbraw/zinc/41/25/98/914412598.db2.gz VJJABDLMAUCTMU-UHFFFAOYSA-N 1 1 286.397 0.936 20 10 CCCDMO COc1cc(O)c(C[NH2+][C@H](CO)c2ncc[nH]2)cc1OC ZINC001308955117 908445847 /nfs/dbraw/zinc/44/58/47/908445847.db2.gz MVVGYUNJZZMUMT-SNVBAGLBSA-N 1 1 293.323 0.956 20 10 CCCDMO CN1C[C@@H]([NH2+]Cc2cc(F)c(F)cc2O)CC1=O ZINC001474753934 911071241 /nfs/dbraw/zinc/07/12/41/911071241.db2.gz ILCXVILVQSPYMD-QMMMGPOBSA-N 1 1 256.252 0.991 20 10 CCCDMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCc1ccc(N)cc1 ZINC001341242723 922396455 /nfs/dbraw/zinc/39/64/55/922396455.db2.gz RXWQPXBBAMUUOM-IUODEOHRSA-N 1 1 288.395 0.316 20 10 CCCDMO CNS(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccc(N)cc2)C1 ZINC001356083558 926341277 /nfs/dbraw/zinc/34/12/77/926341277.db2.gz SKZAZGCPEVPASG-ZDUSSCGKSA-N 1 1 283.397 0.782 20 10 CCCDMO C[C@H](NC(=O)Cc1ccc(N)cc1)[C@@H]1C[N@@H+](C)CCN1C ZINC001356254846 926361933 /nfs/dbraw/zinc/36/19/33/926361933.db2.gz WUKYJRGUMUWYSU-WFASDCNBSA-N 1 1 290.411 0.562 20 10 CCCDMO C[C@H](NC(=O)Cc1ccc(N)cc1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001356254846 926361954 /nfs/dbraw/zinc/36/19/54/926361954.db2.gz WUKYJRGUMUWYSU-WFASDCNBSA-N 1 1 290.411 0.562 20 10 CCCDMO C[C@H](NC(=O)Cc1ccc(N)cc1)[C@@H]1CN(C)CC[N@H+]1C ZINC001356254846 926361962 /nfs/dbraw/zinc/36/19/62/926361962.db2.gz WUKYJRGUMUWYSU-WFASDCNBSA-N 1 1 290.411 0.562 20 10 CCCDMO CC[C@H](CNS(C)(=O)=O)[NH2+]Cc1cccc(F)c1O ZINC000294942198 199262876 /nfs/dbraw/zinc/26/28/76/199262876.db2.gz CJXANIVSURMFMW-SNVBAGLBSA-N 1 1 290.360 0.949 20 10 CCCDMO C[C@@H](O)C[N@@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000159484515 261186599 /nfs/dbraw/zinc/18/65/99/261186599.db2.gz HXXWYXVYBWYBOH-GFCCVEGCSA-N 1 1 279.384 0.681 20 10 CCCDMO CCCOc1ccc(C[N@@H+]2CCO[C@H](C(N)=O)C2)c(O)c1 ZINC000092735557 389031853 /nfs/dbraw/zinc/03/18/53/389031853.db2.gz IECWTTNGUONIEJ-AWEZNQCLSA-N 1 1 294.351 0.867 20 10 CCCDMO CCCOc1ccc(C[N@H+]2CCO[C@H](C(N)=O)C2)c(O)c1 ZINC000092735557 389031857 /nfs/dbraw/zinc/03/18/57/389031857.db2.gz IECWTTNGUONIEJ-AWEZNQCLSA-N 1 1 294.351 0.867 20 10 CCCDMO C[C@H](CO)[N@@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000298631750 389036721 /nfs/dbraw/zinc/03/67/21/389036721.db2.gz VXKLTVYGCJKMFP-GFCCVEGCSA-N 1 1 279.384 0.681 20 10 CCCDMO COc1c(O)c(C[N@H+]2C[C@H](O)C[C@H]2CO)ccc1[N+](=O)[O-] ZINC000373896599 389526942 /nfs/dbraw/zinc/52/69/42/389526942.db2.gz GOBHYBAGCWUQRM-VHSXEESVSA-N 1 1 298.295 0.237 20 10 CCCDMO Cc1cccc(C[N@H+]2CCO[C@H](C(N)=O)C2)c1O ZINC000179940573 389664281 /nfs/dbraw/zinc/66/42/81/389664281.db2.gz IHMCMMVEUARLGE-NSHDSACASA-N 1 1 250.298 0.387 20 10 CCCDMO CNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC000376162499 389730362 /nfs/dbraw/zinc/73/03/62/389730362.db2.gz MIXAEYZDCSWAIL-LLVKDONJSA-N 1 1 270.354 0.516 20 10 CCCDMO CC[N@@H+]1CCO[C@@H](C(=O)NCc2ccccc2O)C1 ZINC000370734640 267342925 /nfs/dbraw/zinc/34/29/25/267342925.db2.gz IYXQNUTYSAUIRG-CYBMUJFWSA-N 1 1 264.325 0.729 20 10 CCCDMO CC[N@H+]1CCO[C@@H](C(=O)NCc2ccccc2O)C1 ZINC000370734640 267342929 /nfs/dbraw/zinc/34/29/29/267342929.db2.gz IYXQNUTYSAUIRG-CYBMUJFWSA-N 1 1 264.325 0.729 20 10 CCCDMO O=C1OC[C@H]2C[N@H+](Cc3cc4c(cc3O)OCO4)CCN12 ZINC000371335420 267392728 /nfs/dbraw/zinc/39/27/28/267392728.db2.gz KGQCEJADYHFAGR-SNVBAGLBSA-N 1 1 292.291 0.757 20 10 CCCDMO O=C1OC[C@H]2C[N@@H+](Cc3cc4c(cc3O)OCO4)CCN12 ZINC000371335420 267392729 /nfs/dbraw/zinc/39/27/29/267392729.db2.gz KGQCEJADYHFAGR-SNVBAGLBSA-N 1 1 292.291 0.757 20 10 CCCDMO CNC(=O)[C@H](C)[NH2+][C@H](C)c1cc(C(=O)OC)ccc1O ZINC000291887306 524100652 /nfs/dbraw/zinc/10/06/52/524100652.db2.gz KFAUCXKTQLYLJW-BDAKNGLRSA-N 1 1 280.324 0.964 20 10 CCCDMO CNS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1ccccc1O ZINC000779030909 581173212 /nfs/dbraw/zinc/17/32/12/581173212.db2.gz PSYXHDGVHLZBPC-GFCCVEGCSA-N 1 1 284.381 0.906 20 10 CCCDMO C[C@@]1(C(N)=O)CC[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000794710233 581384890 /nfs/dbraw/zinc/38/48/90/581384890.db2.gz KKVACXFGJYHYNP-IUODEOHRSA-N 1 1 292.335 0.515 20 10 CCCDMO CN(C)c1ccc(C[N@@H+]2CCO[C@H](CO)C2)cc1 ZINC000769395353 581687295 /nfs/dbraw/zinc/68/72/95/581687295.db2.gz FYQDXSRANROOOR-AWEZNQCLSA-N 1 1 250.342 0.946 20 10 CCCDMO CN(C)c1ccc(C[N@H+]2CCO[C@H](CO)C2)cc1 ZINC000769395353 581687298 /nfs/dbraw/zinc/68/72/98/581687298.db2.gz FYQDXSRANROOOR-AWEZNQCLSA-N 1 1 250.342 0.946 20 10 CCCDMO NS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000770510064 581748983 /nfs/dbraw/zinc/74/89/83/581748983.db2.gz IGNKCOKTTRIHMU-NSHDSACASA-N 1 1 284.381 0.893 20 10 CCCDMO COc1ccc(O)c([C@H](C)[NH2+]Cc2nc(N)nc(N)n2)c1 ZINC000775369276 582021211 /nfs/dbraw/zinc/02/12/11/582021211.db2.gz LYORKXVVHOEQTK-ZETCQYMHSA-N 1 1 290.327 0.601 20 10 CCCDMO COc1ccc(O)c(C[N@@H+]2C[C@H](CO)OC[C@@H]2C)c1 ZINC000775742350 582036349 /nfs/dbraw/zinc/03/63/49/582036349.db2.gz UMTWAXKKEBXLSJ-GXFFZTMASA-N 1 1 267.325 0.982 20 10 CCCDMO COc1ccc(O)c(C[N@H+]2C[C@H](CO)OC[C@@H]2C)c1 ZINC000775742350 582036352 /nfs/dbraw/zinc/03/63/52/582036352.db2.gz UMTWAXKKEBXLSJ-GXFFZTMASA-N 1 1 267.325 0.982 20 10 CCCDMO COc1cc(C)cc(C[N@@H+]2C[C@H](O)C[C@H]2C(N)=O)c1O ZINC000895371531 617175520 /nfs/dbraw/zinc/17/55/20/617175520.db2.gz RKYSCJBPYZOATD-MNOVXSKESA-N 1 1 280.324 0.130 20 10 CCCDMO COc1cc(C)cc(C[N@H+]2C[C@H](O)C[C@H]2C(N)=O)c1O ZINC000895371531 617175522 /nfs/dbraw/zinc/17/55/22/617175522.db2.gz RKYSCJBPYZOATD-MNOVXSKESA-N 1 1 280.324 0.130 20 10 CCCDMO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](O)[C@@H](O)C2)c1O ZINC000877749431 617196100 /nfs/dbraw/zinc/19/61/00/617196100.db2.gz LBTHGNOFMDSLIG-MNOVXSKESA-N 1 1 287.743 0.982 20 10 CCCDMO COc1cc(Cl)cc(C[N@H+]2CC[C@@H](O)[C@@H](O)C2)c1O ZINC000877749431 617196102 /nfs/dbraw/zinc/19/61/02/617196102.db2.gz LBTHGNOFMDSLIG-MNOVXSKESA-N 1 1 287.743 0.982 20 10 CCCDMO COc1ccc(N2CCC[N@@H+](C[C@H](O)[C@H](C)O)CC2)cc1 ZINC000929315968 617267730 /nfs/dbraw/zinc/26/77/30/617267730.db2.gz NRHUYFLKOWWHNU-BBRMVZONSA-N 1 1 294.395 0.949 20 10 CCCDMO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CNCCOC3)C2)cc1 ZINC000925711908 617268215 /nfs/dbraw/zinc/26/82/15/617268215.db2.gz FTRIQTGWGAEQIE-UONOGXRCSA-N 1 1 291.395 0.852 20 10 CCCDMO COc1cccc(O)c1C[N@@H+]1CCO[C@@H]([C@@H](C)O)C1 ZINC000840978024 617305129 /nfs/dbraw/zinc/30/51/29/617305129.db2.gz OSWMRDYYZHMXQO-QMTHXVAHSA-N 1 1 267.325 0.982 20 10 CCCDMO COc1cccc(O)c1C[N@H+]1CCO[C@@H]([C@@H](C)O)C1 ZINC000840978024 617305130 /nfs/dbraw/zinc/30/51/30/617305130.db2.gz OSWMRDYYZHMXQO-QMTHXVAHSA-N 1 1 267.325 0.982 20 10 CCCDMO COc1cccc([C@H](C)NC[C@H](O)C[NH+](C)C)c1O ZINC000846143711 617309163 /nfs/dbraw/zinc/30/91/63/617309163.db2.gz FXGLXWHXBSYLFM-QWRGUYRKSA-N 1 1 268.357 0.974 20 10 CCCDMO CCc1cccc(C[N@@H+](C)CCS(N)(=O)=O)c1O ZINC000877825985 615682379 /nfs/dbraw/zinc/68/23/79/615682379.db2.gz LGUSMQYRZQFKPA-UHFFFAOYSA-N 1 1 272.370 0.675 20 10 CCCDMO CN(C)c1ccc(CN2CCNCC[NH2+]CC2)cc1F ZINC000904398525 616013742 /nfs/dbraw/zinc/01/37/42/616013742.db2.gz REXWNVORDXXFKN-UHFFFAOYSA-N 1 1 280.391 0.887 20 10 CCCDMO C[N@@H+](CCO)CCNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000925001908 616102831 /nfs/dbraw/zinc/10/28/31/616102831.db2.gz ZAYQLDNZAMYVGP-HWKANZROSA-N 1 1 280.324 0.151 20 10 CCCDMO C[NH+]1CCN(CC(=O)N2Cc3cccc(O)c3C2)CC1 ZINC000871203284 616239488 /nfs/dbraw/zinc/23/94/88/616239488.db2.gz WEDBIFUCRJAWCY-UHFFFAOYSA-N 1 1 275.352 0.482 20 10 CCCDMO C[N@@H+]1CCO[C@@H](C(=O)NCc2cc(Cl)ccc2O)C1 ZINC000846477485 616252653 /nfs/dbraw/zinc/25/26/53/616252653.db2.gz ULPMWDJBLPZSPJ-GFCCVEGCSA-N 1 1 284.743 0.992 20 10 CCCDMO C[N@H+]1CCO[C@@H](C(=O)NCc2cc(Cl)ccc2O)C1 ZINC000846477485 616252654 /nfs/dbraw/zinc/25/26/54/616252654.db2.gz ULPMWDJBLPZSPJ-GFCCVEGCSA-N 1 1 284.743 0.992 20 10 CCCDMO OCC1(CO)CC[N@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000895312908 632050502 /nfs/dbraw/zinc/05/05/02/632050502.db2.gz WOVCVSJZZKMNIK-UHFFFAOYSA-N 1 1 273.279 0.847 20 10 CCCDMO OCC1(CO)CC[N@@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000895312908 632050514 /nfs/dbraw/zinc/05/05/14/632050514.db2.gz WOVCVSJZZKMNIK-UHFFFAOYSA-N 1 1 273.279 0.847 20 10 CCCDMO Cc1cccc(C[N@H+]2C[C@H](O)C[C@H]2C(N)=O)c1O ZINC000895367656 632069282 /nfs/dbraw/zinc/06/92/82/632069282.db2.gz IBHYCRXMLIVORL-MNOVXSKESA-N 1 1 250.298 0.121 20 10 CCCDMO Cc1ccc(O)c(C[N@H+]2CCN3[C@@H](CNS3(=O)=O)C2)c1 ZINC000897285412 632463047 /nfs/dbraw/zinc/46/30/47/632463047.db2.gz XIGZBLUDAJUPRC-LBPRGKRZSA-N 1 1 297.380 0.035 20 10 CCCDMO Cc1ccc(C(=O)N(C)CC[N@@H+](C)CCO)c(O)c1O ZINC000912607530 636617899 /nfs/dbraw/zinc/61/78/99/636617899.db2.gz HHLVHIWJHCZBDG-UHFFFAOYSA-N 1 1 282.340 0.402 20 10 CCCDMO OCC[NH+](CCO)Cc1c(O)cccc1Br ZINC000862429116 644999658 /nfs/dbraw/zinc/99/96/58/644999658.db2.gz BEMNBDLHNCBLJE-UHFFFAOYSA-N 1 1 290.157 0.941 20 10 CCCDMO Cc1ccc(C(=O)NCC[N@H+]2CC[C@@H](O)C2)c(O)c1O ZINC000863320150 645079988 /nfs/dbraw/zinc/07/99/88/645079988.db2.gz KQUBIMNUGWTKMT-SNVBAGLBSA-N 1 1 280.324 0.203 20 10 CCCDMO C[C@@H]([NH2+]CCN1C(=O)CNC1=O)c1c(O)cccc1F ZINC000886589735 647990460 /nfs/dbraw/zinc/99/04/60/647990460.db2.gz CUMYDGDYAIIUJG-MRVPVSSYSA-N 1 1 281.287 0.734 20 10 CCCDMO C[C@@H]([NH2+]C[C@@H](O)Cn1ccnn1)c1c(O)cccc1F ZINC000886625518 647992931 /nfs/dbraw/zinc/99/29/31/647992931.db2.gz TYINDCTYWOBBLR-NXEZZACHSA-N 1 1 280.303 0.835 20 10 CCCDMO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](O)[C@H](CO)C2)c1O ZINC000396850721 790551158 /nfs/dbraw/zinc/55/11/58/790551158.db2.gz KRWYKEYWDUWOJO-FZMZJTMJSA-N 1 1 297.326 0.909 20 10 CCCDMO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](O)[C@H](CO)C2)c1O ZINC000396850721 790551164 /nfs/dbraw/zinc/55/11/64/790551164.db2.gz KRWYKEYWDUWOJO-FZMZJTMJSA-N 1 1 297.326 0.909 20 10 CCCDMO CC(=O)NC1C[NH+](Cc2ccc(N(C)C)cc2O)C1 ZINC001232838865 805986207 /nfs/dbraw/zinc/98/62/07/805986207.db2.gz JYGQOMWUEFPLEX-UHFFFAOYSA-N 1 1 263.341 0.779 20 10 CCCDMO CN(C)c1ccc(C[N@@H+]2CCO[C@@H](CO)C2)c(O)c1 ZINC001232835082 805986510 /nfs/dbraw/zinc/98/65/10/805986510.db2.gz VEKHULRJPLXXRK-CYBMUJFWSA-N 1 1 266.341 0.651 20 10 CCCDMO CN(C)c1ccc(C[N@H+]2CCO[C@@H](CO)C2)c(O)c1 ZINC001232835082 805986513 /nfs/dbraw/zinc/98/65/13/805986513.db2.gz VEKHULRJPLXXRK-CYBMUJFWSA-N 1 1 266.341 0.651 20 10 CCCDMO COCC[NH+](CCOC)Cc1cc(O)c(O)c(O)c1 ZINC001233011052 806005904 /nfs/dbraw/zinc/00/59/04/806005904.db2.gz YJIAIXNRBRXEQT-UHFFFAOYSA-N 1 1 271.313 0.898 20 10 CCCDMO COc1cc(C[N@@H+]2C[C@H](CO)[C@H](O)C2)c(O)c(OC)c1 ZINC001237668314 806709113 /nfs/dbraw/zinc/70/91/13/806709113.db2.gz BZXAHCRLOXPFMV-ZYHUDNBSSA-N 1 1 283.324 0.194 20 10 CCCDMO Cc1ccc(O)c(CNC(=O)[C@@H]2C[N@@H+]3CCN2C[C@H]3C)c1 ZINC001123939172 799510709 /nfs/dbraw/zinc/51/07/09/799510709.db2.gz IRNBXFDPQJQCCN-OCCSQVGLSA-N 1 1 289.379 0.705 20 10 CCCDMO Cc1c(O)ccc(C[N@H+]2C[C@H](O)[C@H](CO)C2)c1O ZINC001140744317 799937378 /nfs/dbraw/zinc/93/73/78/799937378.db2.gz TYTZEYLMLXLOJJ-JQWIXIFHSA-N 1 1 253.298 0.191 20 10 CCCDMO Cc1c(O)ccc(C[N@H+]2CCOC[C@H](O)C2)c1O ZINC001140744403 799937986 /nfs/dbraw/zinc/93/79/86/799937986.db2.gz WLJXFMAOZSJRDS-LLVKDONJSA-N 1 1 253.298 0.599 20 10 CCCDMO COc1cc(O)c(C[N@H+]2C[C@@H](O)[C@H](CO)C2)c(OC)c1 ZINC001141031983 799973711 /nfs/dbraw/zinc/97/37/11/799973711.db2.gz PICYJXGZMSGISG-TVQRCGJNSA-N 1 1 283.324 0.194 20 10 CCCDMO COc1cc(O)c(C[N@@H+]2CCNC(=O)CC2)c(OC)c1 ZINC001141031733 799974314 /nfs/dbraw/zinc/97/43/14/799974314.db2.gz JBVPUAMZUVBJFZ-UHFFFAOYSA-N 1 1 280.324 0.731 20 10 CCCDMO COc1cc(O)c(C[N@H+]2CCNC(=O)CC2)c(OC)c1 ZINC001141031733 799974318 /nfs/dbraw/zinc/97/43/18/799974318.db2.gz JBVPUAMZUVBJFZ-UHFFFAOYSA-N 1 1 280.324 0.731 20 10 CCCDMO CN1CCOc2cc(C[N@H+]3CC[C@H](CO)[C@@H](O)C3)ccc21 ZINC001141140244 799984181 /nfs/dbraw/zinc/98/41/81/799984181.db2.gz JUPVAASVYKMGSH-HIFRSBDPSA-N 1 1 292.379 0.690 20 10 CCCDMO CN1CCOc2cc(C[N@H+]3CC[C@@H](O)[C@@H](CO)C3)ccc21 ZINC001141140988 799984846 /nfs/dbraw/zinc/98/48/46/799984846.db2.gz RHVUDWWAWAUKDV-UKRRQHHQSA-N 1 1 292.379 0.690 20 10 CCCDMO COC(=O)CO[C@H]1CC[N@@H+](Cc2cc(O)ccc2O)C1 ZINC001141162912 799986637 /nfs/dbraw/zinc/98/66/37/799986637.db2.gz KIOUSAYPJPZDKL-LBPRGKRZSA-N 1 1 281.308 0.862 20 10 CCCDMO N[C@@H]1C[N@@H+](Cc2c(O)cc(O)cc2O)CCC1(F)F ZINC001206675121 802165660 /nfs/dbraw/zinc/16/56/60/802165660.db2.gz HEGXJPJNWZBOSQ-LLVKDONJSA-N 1 1 274.267 0.972 20 10 CCCDMO COc1cccc(CN2C[C@H](O)[C@@H](C[NH3+])C2)c1O ZINC001206512838 803256220 /nfs/dbraw/zinc/25/62/20/803256220.db2.gz UUIYHTOIYZUMKP-QWRGUYRKSA-N 1 1 252.314 0.152 20 10 CCCDMO CC[N@H+](Cc1ccccc1O)C[C@H](O)CN1CCOCC1 ZINC001251022104 807642463 /nfs/dbraw/zinc/64/24/63/807642463.db2.gz WMHZNODTKHFEGY-HNNXBMFYSA-N 1 1 294.395 0.907 20 10 CCCDMO CNC(=O)C[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000105672510 838577572 /nfs/dbraw/zinc/57/75/72/838577572.db2.gz YVXSNOLNPMJIPF-UHFFFAOYSA-N 1 1 252.270 0.299 20 10 CCCDMO CNC(=O)C[N@@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000105672510 838577574 /nfs/dbraw/zinc/57/75/74/838577574.db2.gz YVXSNOLNPMJIPF-UHFFFAOYSA-N 1 1 252.270 0.299 20 10 CCCDMO Cc1cc(C)c(CNC(=O)[C@@H]2C[N@H+](C)CCN2C)c(O)c1 ZINC001185266933 844390505 /nfs/dbraw/zinc/39/05/05/844390505.db2.gz JRXIOWWBRQGSBN-AWEZNQCLSA-N 1 1 291.395 0.871 20 10 CCCDMO COc1ccc(C[N@H+]2CC[C@](C)(CO)[C@@H](O)C2)c(O)c1 ZINC001203620987 844437614 /nfs/dbraw/zinc/43/76/14/844437614.db2.gz LXZWTRHQSDVESB-LSDHHAIUSA-N 1 1 281.352 0.966 20 10 CCCDMO CC[N@@H+]1CC[C@@H]1C(=O)NCc1c(O)cccc1O ZINC001178918093 842940087 /nfs/dbraw/zinc/94/00/87/842940087.db2.gz XLDFSJPDYWZPJT-SNVBAGLBSA-N 1 1 250.298 0.808 20 10 CCCDMO CC[N@H+]1CC[C@@H]1C(=O)NCc1c(O)cccc1O ZINC001178918093 842940094 /nfs/dbraw/zinc/94/00/94/842940094.db2.gz XLDFSJPDYWZPJT-SNVBAGLBSA-N 1 1 250.298 0.808 20 10 CCCDMO [NH3+]CC1(NC(=O)c2cc(O)c(O)c(Cl)c2)COC1 ZINC001193626646 846130409 /nfs/dbraw/zinc/13/04/09/846130409.db2.gz YLRMQYPRRKTQNT-UHFFFAOYSA-N 1 1 272.688 0.209 20 10 CCCDMO Cn1cc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)nn1 ZINC000389825617 854011321 /nfs/dbraw/zinc/01/13/21/854011321.db2.gz PYRWOBRFBKOSKZ-UHFFFAOYSA-N 1 1 287.367 0.942 20 10 CCCDMO CC1(C)C[N@@H+](Cc2ccccc2O)CCN1CC(N)=O ZINC001203555711 897742181 /nfs/dbraw/zinc/74/21/81/897742181.db2.gz DDOXWHUCPDOUHL-UHFFFAOYSA-N 1 1 277.368 0.774 20 10 CCCDMO CNS(=O)(=O)CC[NH2+][C@H](C)c1ccc(F)cc1O ZINC000187198454 351533670 /nfs/dbraw/zinc/53/36/70/351533670.db2.gz GYZPZVDAPWYMBZ-MRVPVSSYSA-N 1 1 276.333 0.731 20 10 CCCDMO COc1cccc(C[NH+]2CCN(C(=O)[C@H](C)O)CC2)c1O ZINC000093706816 389037953 /nfs/dbraw/zinc/03/79/53/389037953.db2.gz ISNKKFCHRBXCON-NSHDSACASA-N 1 1 294.351 0.426 20 10 CCCDMO CN(Cc1ccccc1O)C(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000372359479 389449895 /nfs/dbraw/zinc/44/98/95/389449895.db2.gz LEBNNJRDRPVTKE-CQSZACIVSA-N 1 1 289.379 0.741 20 10 CCCDMO COCC[N@@H+](C)CCNC(=O)c1ccc(C)c(O)c1O ZINC000177680371 389590393 /nfs/dbraw/zinc/59/03/93/389590393.db2.gz YNFDLYDSQFQONN-UHFFFAOYSA-N 1 1 282.340 0.714 20 10 CCCDMO CCOc1cccc(C[N@@H+]2CCO[C@H](C(=O)NC)C2)c1O ZINC000182458390 389708816 /nfs/dbraw/zinc/70/88/16/389708816.db2.gz KLNXANDATTZJJI-ZDUSSCGKSA-N 1 1 294.351 0.738 20 10 CCCDMO CCOc1cccc(C[N@H+]2CCO[C@H](C(=O)NC)C2)c1O ZINC000182458390 389708819 /nfs/dbraw/zinc/70/88/19/389708819.db2.gz KLNXANDATTZJJI-ZDUSSCGKSA-N 1 1 294.351 0.738 20 10 CCCDMO COc1c(O)c(C[N@H+]2CC[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000278294464 521875485 /nfs/dbraw/zinc/87/54/85/521875485.db2.gz VEIUKKFVNYHMKQ-VIFPVBQESA-N 1 1 268.269 0.876 20 10 CCCDMO COc1cc(Cl)cc(C[N@H+]2C[C@@H](O)[C@@H](O)C2)c1O ZINC000278457219 522538637 /nfs/dbraw/zinc/53/86/37/522538637.db2.gz ZEQBZMJXQNQKPM-AOOOYVTPSA-N 1 1 273.716 0.592 20 10 CCCDMO COc1cc(Cl)cc(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)c1O ZINC000278457219 522538646 /nfs/dbraw/zinc/53/86/46/522538646.db2.gz ZEQBZMJXQNQKPM-AOOOYVTPSA-N 1 1 273.716 0.592 20 10 CCCDMO CN1CCN(c2ccc(C[NH2+]C[C@@](C)(O)CO)cc2)CC1 ZINC000794748034 581386957 /nfs/dbraw/zinc/38/69/57/581386957.db2.gz GIDUUKCCTBWWTH-MRXNPFEDSA-N 1 1 293.411 0.271 20 10 CCCDMO Cc1cc(O)c(C[N@H+]2CC[C@H](S(N)(=O)=O)C2)cc1C ZINC000785985053 581426423 /nfs/dbraw/zinc/42/64/23/581426423.db2.gz KFDWVTCZNLNCKW-LBPRGKRZSA-N 1 1 284.381 0.872 20 10 CCCDMO COc1cccc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3C)c1O ZINC000769484167 581692275 /nfs/dbraw/zinc/69/22/75/581692275.db2.gz SNDJOGIXAHUTRP-OCCSQVGLSA-N 1 1 278.352 0.916 20 10 CCCDMO COc1cccc(O)c1C[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000761214694 581896692 /nfs/dbraw/zinc/89/66/92/581896692.db2.gz CZLZBLGBXFEKMQ-JTQLQIEISA-N 1 1 291.307 0.137 20 10 CCCDMO COc1cccc(O)c1C[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000761214694 581896696 /nfs/dbraw/zinc/89/66/96/581896696.db2.gz CZLZBLGBXFEKMQ-JTQLQIEISA-N 1 1 291.307 0.137 20 10 CCCDMO C[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)C(N)=O ZINC000775198753 582013837 /nfs/dbraw/zinc/01/38/37/582013837.db2.gz FNSZCVMYRJRQAI-GFCCVEGCSA-N 1 1 276.384 0.402 20 10 CCCDMO CCOc1ccc(C[N@H+]2C[C@@H](O)C[C@H]2CO)c(O)c1 ZINC000776010024 582049281 /nfs/dbraw/zinc/04/92/81/582049281.db2.gz PCFMGQZMLDEOSA-RYUDHWBXSA-N 1 1 267.325 0.718 20 10 CCCDMO COc1ccc(O)c(C[N@H+]2CC[C@@H](O)[C@@H](O)C2)c1 ZINC000877748813 617272644 /nfs/dbraw/zinc/27/26/44/617272644.db2.gz BJKSABTZHGKBGZ-OLZOCXBDSA-N 1 1 253.298 0.328 20 10 CCCDMO COc1cccc(O)c1C[N@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000877764593 617305297 /nfs/dbraw/zinc/30/52/97/617305297.db2.gz JUZQOTGYZJTEJX-PHIMTYICSA-N 1 1 267.325 0.433 20 10 CCCDMO CCN(C)c1ccc(C[N@H+]2CC[C@](O)(C(N)=O)C2)cc1 ZINC000815099939 614921367 /nfs/dbraw/zinc/92/13/67/614921367.db2.gz IXGQAHKDDYSMDZ-OAHLLOKOSA-N 1 1 277.368 0.565 20 10 CCCDMO CCOc1ccc(O)c(C[N@@H+]2C[C@H](O)C[C@H]2C(N)=O)c1 ZINC000895368391 615512108 /nfs/dbraw/zinc/51/21/08/615512108.db2.gz QFMQDKFEIGOFKQ-PWSUYJOCSA-N 1 1 280.324 0.211 20 10 CCCDMO CCOc1ccc(O)c(C[N@H+]2C[C@H](O)C[C@H]2C(N)=O)c1 ZINC000895368391 615512109 /nfs/dbraw/zinc/51/21/09/615512109.db2.gz QFMQDKFEIGOFKQ-PWSUYJOCSA-N 1 1 280.324 0.211 20 10 CCCDMO CN(C)c1cc(F)c(C[N@@H+]2C[C@H](O)C[C@H]2CO)cc1F ZINC000862332315 616006189 /nfs/dbraw/zinc/00/61/89/616006189.db2.gz SORMAXIGYPYMPM-WDEREUQCSA-N 1 1 286.322 0.958 20 10 CCCDMO CN(C)c1cc(F)c(C[N@H+]2C[C@H](O)C[C@H]2CO)cc1F ZINC000862332315 616006190 /nfs/dbraw/zinc/00/61/90/616006190.db2.gz SORMAXIGYPYMPM-WDEREUQCSA-N 1 1 286.322 0.958 20 10 CCCDMO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C2(N(C)C)CC2)cc1 ZINC000911665820 616019500 /nfs/dbraw/zinc/01/95/00/616019500.db2.gz FGGDVWBWAFPORZ-CQSZACIVSA-N 1 1 290.411 0.963 20 10 CCCDMO CN(Cc1ccccc1O)C(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000901054084 616171081 /nfs/dbraw/zinc/17/10/81/616171081.db2.gz AEFJMIVOSOJHIO-DOMZBBRYSA-N 1 1 278.352 0.806 20 10 CCCDMO C[N@H+]1CCC[C@@](O)(CC(=O)NCc2ccccc2O)C1 ZINC000901125497 616202029 /nfs/dbraw/zinc/20/20/29/616202029.db2.gz YDKKPHFHWCXTIQ-OAHLLOKOSA-N 1 1 278.352 0.855 20 10 CCCDMO CN1CCN(c2ccc(CN[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000841044750 616247093 /nfs/dbraw/zinc/24/70/93/616247093.db2.gz HCCOTNGLZABRFZ-OAHLLOKOSA-N 1 1 274.412 0.890 20 10 CCCDMO CNC(=O)CC[N@@H+](C)Cc1cccc(OC)c1O ZINC000179411560 625342221 /nfs/dbraw/zinc/34/22/21/625342221.db2.gz CGIQSHHKEXSZKU-UHFFFAOYSA-N 1 1 252.314 0.969 20 10 CCCDMO C[C@@H]1C[N@@H+](Cc2ccccc2O)C[C@H]1CS(N)(=O)=O ZINC000897609188 633213011 /nfs/dbraw/zinc/21/30/11/633213011.db2.gz FFCYPKJZWJYYFW-PWSUYJOCSA-N 1 1 284.381 0.749 20 10 CCCDMO Cc1cc(C)c(O)c(C[N@H+]2CCO[C@H](C(N)=O)C2)c1 ZINC000164233809 636863086 /nfs/dbraw/zinc/86/30/86/636863086.db2.gz QTOVHDNYEFBTOX-LBPRGKRZSA-N 1 1 264.325 0.695 20 10 CCCDMO COc1cc(O)c(C[N@H+]2CC[C@@H](O)C2)cc1OC ZINC000179666451 638236689 /nfs/dbraw/zinc/23/66/89/638236689.db2.gz WHYQRBYORVZIGP-SNVBAGLBSA-N 1 1 253.298 0.976 20 10 CCCDMO Cc1ccc([C@@H](C)[NH2+]CC(=O)N2CCNCC2)c(O)c1 ZINC000817945741 641281482 /nfs/dbraw/zinc/28/14/82/641281482.db2.gz KOYGDLVJEJUOQH-GFCCVEGCSA-N 1 1 277.368 0.783 20 10 CCCDMO Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000840920111 642797054 /nfs/dbraw/zinc/79/70/54/642797054.db2.gz BRLPBTZUZIBHRP-GASCZTMLSA-N 1 1 264.369 0.989 20 10 CCCDMO Cc1ccc(O)c(CNC(=O)[C@H]2C[N@H+]3CCN2CCC3)c1 ZINC000862758145 645034453 /nfs/dbraw/zinc/03/44/53/645034453.db2.gz QFTCBLWSVZZOJC-CQSZACIVSA-N 1 1 289.379 0.707 20 10 CCCDMO [O-]c1c(C[N@@H+]2CCC(CO)(CO)C2)ccc(F)c1F ZINC000877632982 646830795 /nfs/dbraw/zinc/83/07/95/646830795.db2.gz UPYXUQRSSMCSGP-UHFFFAOYSA-N 1 1 273.279 0.847 20 10 CCCDMO Cc1ccc(C[N@@H+]2CCN(C)C[C@@H]2CO)c(O)c1 ZINC000877644711 646831966 /nfs/dbraw/zinc/83/19/66/646831966.db2.gz QXLUKTCGVQKKSC-CYBMUJFWSA-N 1 1 250.342 0.809 20 10 CCCDMO Oc1cc2c(cc1C[N@@H+]1CC[C@@H](O)[C@@H](O)C1)OCO2 ZINC000877749512 646838285 /nfs/dbraw/zinc/83/82/85/646838285.db2.gz VBAQGNXNMUXCBB-KOLCDFICSA-N 1 1 267.281 0.048 20 10 CCCDMO OC[C@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)C[C@H]1CO ZINC000877764550 646840090 /nfs/dbraw/zinc/84/00/90/646840090.db2.gz ICBQGHYDRHEZPP-PHIMTYICSA-N 1 1 281.308 0.154 20 10 CCCDMO Cc1cc(N(C)C)ccc1C[N@H+](C)CCS(N)(=O)=O ZINC000877825811 646846713 /nfs/dbraw/zinc/84/67/13/646846713.db2.gz DHTOHYWGBAKBEE-UHFFFAOYSA-N 1 1 285.413 0.781 20 10 CCCDMO Cc1cc(N(C)C)ccc1C[N@@H+](C)CCS(N)(=O)=O ZINC000877825811 646846717 /nfs/dbraw/zinc/84/67/17/646846717.db2.gz DHTOHYWGBAKBEE-UHFFFAOYSA-N 1 1 285.413 0.781 20 10 CCCDMO COc1ccc(C[N@H+]2C[C@H]3C[C@@]3(C(N)=O)C2)c(O)c1 ZINC001277454609 805599028 /nfs/dbraw/zinc/59/90/28/805599028.db2.gz WULODJVJDBQIIQ-QMTHXVAHSA-N 1 1 262.309 0.708 20 10 CCCDMO CS(=O)(=O)N1CCC[N@@H+](Cc2ccc(N)cc2)CC1 ZINC000705487385 790524987 /nfs/dbraw/zinc/52/49/87/790524987.db2.gz AMWHNRSKIIWIKC-UHFFFAOYSA-N 1 1 283.397 0.736 20 10 CCCDMO Cc1cccc(C[NH+]2CC(N3CCN(C)C(=O)C3)C2)c1O ZINC001231592228 805819343 /nfs/dbraw/zinc/81/93/43/805819343.db2.gz GJLWVZYVYAVYFV-UHFFFAOYSA-N 1 1 289.379 0.659 20 10 CCCDMO COC(=O)[C@H]1C[N@H+](C)CCN1Cc1cccc(C)c1O ZINC001231594371 805821016 /nfs/dbraw/zinc/82/10/16/805821016.db2.gz GFOQJBQOSHGDQJ-CYBMUJFWSA-N 1 1 278.352 0.990 20 10 CCCDMO COC(=O)[C@H]1C[N@@H+](C)CCN1Cc1cccc(C)c1O ZINC001231594371 805821026 /nfs/dbraw/zinc/82/10/26/805821026.db2.gz GFOQJBQOSHGDQJ-CYBMUJFWSA-N 1 1 278.352 0.990 20 10 CCCDMO OC[C@@H]1C[N@@H+](Cc2cc(Cl)c(O)cc2O)C[C@@H]1O ZINC001232259894 805914978 /nfs/dbraw/zinc/91/49/78/805914978.db2.gz MUIOAOFJQWZSPC-UFBFGSQYSA-N 1 1 273.716 0.536 20 10 CCCDMO NC(=O)[C@@H]1CCCC[N@@H+]1Cc1cc(O)c(O)cc1O ZINC001233485038 806061407 /nfs/dbraw/zinc/06/14/07/806061407.db2.gz GUSYBTHXIIZRCT-VIFPVBQESA-N 1 1 266.297 0.643 20 10 CCCDMO NC(=O)[C@@H]1CCCC[N@H+]1Cc1cc(O)c(O)cc1O ZINC001233485038 806061414 /nfs/dbraw/zinc/06/14/14/806061414.db2.gz GUSYBTHXIIZRCT-VIFPVBQESA-N 1 1 266.297 0.643 20 10 CCCDMO COC(=O)CN1CC[NH+](Cc2cc(O)c(O)cc2O)CC1 ZINC001233485951 806061914 /nfs/dbraw/zinc/06/19/14/806061914.db2.gz RMFYSURBKDERFP-UHFFFAOYSA-N 1 1 296.323 0.094 20 10 CCCDMO Oc1cc(O)c(CN2CC[N@H+]3CC[C@H]3C2)cc1O ZINC001233487850 806063996 /nfs/dbraw/zinc/06/39/96/806063996.db2.gz UWOAOJPHEBUIAQ-JTQLQIEISA-N 1 1 250.298 0.693 20 10 CCCDMO COC(=O)CO[C@H]1CC[N@@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233487512 806065065 /nfs/dbraw/zinc/06/50/65/806065065.db2.gz HADUZZANMXSVRO-JTQLQIEISA-N 1 1 297.307 0.567 20 10 CCCDMO COC(=O)[C@H]1C[N@H+](Cc2c(C)cc(C)cc2O)C[C@@H]1N ZINC001236356775 806585092 /nfs/dbraw/zinc/58/50/92/806585092.db2.gz RPLLGEJGKYDMKS-STQMWFEESA-N 1 1 278.352 0.941 20 10 CCCDMO COC(=O)[C@H]1C[N@@H+](Cc2c(C)cc(C)cc2O)C[C@@H]1N ZINC001236356775 806585097 /nfs/dbraw/zinc/58/50/97/806585097.db2.gz RPLLGEJGKYDMKS-STQMWFEESA-N 1 1 278.352 0.941 20 10 CCCDMO CCc1ccc(C[N@H+]2C[C@H](O)[C@H](CO)C2)c(O)c1 ZINC001236783298 806608727 /nfs/dbraw/zinc/60/87/27/806608727.db2.gz JUSNSYDNNVXZCN-JSGCOSHPSA-N 1 1 251.326 0.740 20 10 CCCDMO OC[C@H]1C[N@H+](Cc2cccc(F)c2O)CC[C@H]1O ZINC001138123827 799703276 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ZINC001153884254 800686025 /nfs/dbraw/zinc/68/60/25/800686025.db2.gz AGRYJJOGKBEXQF-ZDUSSCGKSA-N 1 1 280.324 0.435 20 10 CCCDMO CC1([NH3+])CN(C(=O)c2cc(O)c(O)c(Cl)c2)C1 ZINC001157666540 801450725 /nfs/dbraw/zinc/45/07/25/801450725.db2.gz WGLHSEXDNKRRNN-UHFFFAOYSA-N 1 1 256.689 0.924 20 10 CCCDMO N[C@H]1C[NH2+][C@H](C(=O)N2CCCc3cc(O)c(O)cc3C2)C1 ZINC001160924149 802048550 /nfs/dbraw/zinc/04/85/50/802048550.db2.gz DXMAOADJLMRBAQ-NEPJUHHUSA-N 1 1 291.351 0.062 20 10 CCCDMO C[C@@]1(CO)C[N@@H+](Cc2ccc(O)c(O)c2)CC[C@H]1O ZINC001203875159 803050206 /nfs/dbraw/zinc/05/02/06/803050206.db2.gz JGBRXKBNKBNRHG-KGLIPLIRSA-N 1 1 267.325 0.663 20 10 CCCDMO COc1cc(C[N@@H+]2CC[C@@H](NC(C)=O)C2)cc(O)c1O ZINC001204349338 803080708 /nfs/dbraw/zinc/08/07/08/803080708.db2.gz SBDTYCNRUVAAGN-LLVKDONJSA-N 1 1 280.324 0.817 20 10 CCCDMO COc1cc(C[N@H+]2CC[C@@H](NC(C)=O)C2)cc(O)c1O ZINC001204349338 803080715 /nfs/dbraw/zinc/08/07/15/803080715.db2.gz SBDTYCNRUVAAGN-LLVKDONJSA-N 1 1 280.324 0.817 20 10 CCCDMO 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CCN(C)c1ccc(C[N@H+]2C[C@H](O)[C@H](CO)C2)cc1 ZINC000839171599 614921060 /nfs/dbraw/zinc/92/10/60/614921060.db2.gz HWYQVHCMWRBTSR-ZFWWWQNUSA-N 1 1 264.369 0.928 20 10 CCCDMO CC[N@@H+]1CCO[C@H](C(=O)N(C)c2ccc(N)cc2)C1 ZINC000877077653 615180569 /nfs/dbraw/zinc/18/05/69/615180569.db2.gz QIAFHOMZFXZOBJ-ZDUSSCGKSA-N 1 1 263.341 0.952 20 10 CCCDMO CC[N@H+]1CCO[C@H](C(=O)N(C)c2ccc(N)cc2)C1 ZINC000877077653 615180570 /nfs/dbraw/zinc/18/05/70/615180570.db2.gz QIAFHOMZFXZOBJ-ZDUSSCGKSA-N 1 1 263.341 0.952 20 10 CCCDMO CCOc1ccc(O)c(CN(C)C[C@H](O)C[NH3+])c1 ZINC000841091769 615511983 /nfs/dbraw/zinc/51/19/83/615511983.db2.gz FVIUBPMLTMRCSP-LLVKDONJSA-N 1 1 254.330 0.542 20 10 CCCDMO CN(C)c1ccc(C[N@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)cc1F ZINC000824892938 616014378 /nfs/dbraw/zinc/01/43/78/616014378.db2.gz GNXAOVXOXMVKOF-PHIMTYICSA-N 1 1 291.326 0.596 20 10 CCCDMO CN(Cc1ccccc1O)C(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000901054087 616170692 /nfs/dbraw/zinc/17/06/92/616170692.db2.gz AEFJMIVOSOJHIO-SWLSCSKDSA-N 1 1 278.352 0.806 20 10 CCCDMO C[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(N)cc1 ZINC000861529771 616213871 /nfs/dbraw/zinc/21/38/71/616213871.db2.gz NQQCPKNFXACFID-LBPRGKRZSA-N 1 1 276.340 0.418 20 10 CCCDMO COC[C@@H](C(N)=O)[N@H+](C)Cc1ccc(N(C)C)c(C)c1 ZINC000815135717 616778728 /nfs/dbraw/zinc/77/87/28/616778728.db2.gz DVVWSROBZDARLW-AWEZNQCLSA-N 1 1 279.384 0.993 20 10 CCCDMO COC[C@@H](C(N)=O)[N@@H+](C)Cc1ccc(N(C)C)c(C)c1 ZINC000815135717 616778731 /nfs/dbraw/zinc/77/87/31/616778731.db2.gz DVVWSROBZDARLW-AWEZNQCLSA-N 1 1 279.384 0.993 20 10 CCCDMO COC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccc(OC)c(OC)c1O ZINC000895151873 616813666 /nfs/dbraw/zinc/81/36/66/616813666.db2.gz JAEVSLOTPYNYOG-VXGBXAGGSA-N 1 1 297.351 0.991 20 10 CCCDMO COc1c([O-])c(C[N@H+](C)CCOCC[NH3+])ccc1[N+](=O)[O-] ZINC000863650926 617149101 /nfs/dbraw/zinc/14/91/01/617149101.db2.gz FEVKZWKMFINTIW-UHFFFAOYSA-N 1 1 299.327 0.716 20 10 CCCDMO COc1c([O-])c(C[N@@H+](C)CCOCC[NH3+])ccc1[N+](=O)[O-] ZINC000863650926 617149103 /nfs/dbraw/zinc/14/91/03/617149103.db2.gz FEVKZWKMFINTIW-UHFFFAOYSA-N 1 1 299.327 0.716 20 10 CCCDMO Cc1cc(C[N@H+]2C[C@H](O)[C@H](CO)C2)ccc1N(C)C ZINC000839171449 640303941 /nfs/dbraw/zinc/30/39/41/640303941.db2.gz FZDMAQBNEBEFAZ-ZFWWWQNUSA-N 1 1 264.369 0.846 20 10 CCCDMO [NH3+]CCN(CCO)Cc1c(O)ccc(Cl)c1F ZINC000841059183 642802007 /nfs/dbraw/zinc/80/20/07/642802007.db2.gz MNYSQFYAOTTZTD-UHFFFAOYSA-N 1 1 262.712 0.938 20 10 CCCDMO Cc1cc(O)c(CN(C)CC(=O)N2CC[NH2+]CC2)cc1C ZINC000843047639 642980625 /nfs/dbraw/zinc/98/06/25/642980625.db2.gz ZDPXEXSUSFNLBQ-UHFFFAOYSA-N 1 1 291.395 0.873 20 10 CCCDMO Cc1ccc(C(=O)NCC[N@H+]2CC[C@H](O)C2)c(O)c1O ZINC000863833145 645132252 /nfs/dbraw/zinc/13/22/52/645132252.db2.gz KQUBIMNUGWTKMT-JTQLQIEISA-N 1 1 280.324 0.203 20 10 CCCDMO O=C(CC[NH+]1CCOCC1)N1Cc2cccc(O)c2C1 ZINC000871201138 646119809 /nfs/dbraw/zinc/11/98/09/646119809.db2.gz POCFWEQQSXGANB-UHFFFAOYSA-N 1 1 276.336 0.957 20 10 CCCDMO Cc1ccc(C[N@@H+](C)C[C@@H](O)CN2CCOCC2)c(O)c1 ZINC000876758736 646659349 /nfs/dbraw/zinc/65/93/49/646659349.db2.gz HHGSYIPKJULMDB-OAHLLOKOSA-N 1 1 294.395 0.826 20 10 CCCDMO NC(=O)C[C@H]1C[C@@H]2C[N@@H+](Cc3ccccc3O)C[C@@H]2O1 ZINC001277441784 805579156 /nfs/dbraw/zinc/57/91/56/805579156.db2.gz OYSZCSYKNHIYTC-BZPMIXESSA-N 1 1 276.336 0.857 20 10 CCCDMO O=C1NCC2(CC[NH+](Cc3cc(O)c(O)c(O)c3)CC2)N1 ZINC001233015158 806007237 /nfs/dbraw/zinc/00/72/37/806007237.db2.gz HTVCSFXRLCUQFX-UHFFFAOYSA-N 1 1 293.323 0.451 20 10 CCCDMO COc1ccc(O)c(C[NH+]2CCN(C(N)=O)CC2)c1 ZINC000722183058 806349075 /nfs/dbraw/zinc/34/90/75/806349075.db2.gz XRVFRGMKURKLLQ-UHFFFAOYSA-N 1 1 265.313 0.597 20 10 CCCDMO O=C([O-])c1ccc(C[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)c(O)c1 ZINC001235063694 806365252 /nfs/dbraw/zinc/36/52/52/806365252.db2.gz QIFLOVSCUBQHPD-HNNXBMFYSA-N 1 1 291.351 0.228 20 10 CCCDMO O=C([O-])c1ccc(C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)c(O)c1 ZINC001235063694 806365261 /nfs/dbraw/zinc/36/52/61/806365261.db2.gz QIFLOVSCUBQHPD-HNNXBMFYSA-N 1 1 291.351 0.228 20 10 CCCDMO CN1CCN(c2ccc(CN3C[C@@H]4C[NH2+]C[C@H]43)cc2)CC1 ZINC001236284289 806559655 /nfs/dbraw/zinc/55/96/55/806559655.db2.gz HMUZCRYGFLEIGP-DOTOQJQBSA-N 1 1 286.423 0.842 20 10 CCCDMO CN1CCN(c2ccc(CN3C[C@@H]4C[NH2+]C[C@@H]43)cc2)CC1 ZINC001236284291 806560494 /nfs/dbraw/zinc/56/04/94/806560494.db2.gz HMUZCRYGFLEIGP-RDJZCZTQSA-N 1 1 286.423 0.842 20 10 CCCDMO COC(=O)[C@H]1C[N@H+](Cc2c(C)cccc2O)C[C@H]1N ZINC001236354703 806585694 /nfs/dbraw/zinc/58/56/94/806585694.db2.gz PKVFANQMNZWYBE-NWDGAFQWSA-N 1 1 264.325 0.633 20 10 CCCDMO COC(=O)[C@H]1C[N@@H+](Cc2c(C)cccc2O)C[C@H]1N ZINC001236354703 806585704 /nfs/dbraw/zinc/58/57/04/806585704.db2.gz PKVFANQMNZWYBE-NWDGAFQWSA-N 1 1 264.325 0.633 20 10 CCCDMO CCOc1ccc(C[N@H+]2CC[C@H](CO)[C@@H](O)C2)c(O)c1 ZINC001237050968 806635049 /nfs/dbraw/zinc/63/50/49/806635049.db2.gz ZFVNPHKKGKQFHU-DOMZBBRYSA-N 1 1 281.352 0.966 20 10 CCCDMO C[NH2+][C@@H](C(=O)NCc1c(O)cccc1F)c1cnn(C)c1 ZINC001122172512 799160504 /nfs/dbraw/zinc/16/05/04/799160504.db2.gz CNXRKYDXRYASMC-CYBMUJFWSA-N 1 1 292.314 0.842 20 10 CCCDMO CN1CCN(c2ccc(C[NH+]3CC(CO)C3)cc2)CC1 ZINC001139409725 799809722 /nfs/dbraw/zinc/80/97/22/799809722.db2.gz QNQBSWSIKBLFKN-UHFFFAOYSA-N 1 1 275.396 0.863 20 10 CCCDMO CC(=O)NC1C[NH+](Cc2ccc(O)c(C)c2O)C1 ZINC001140745586 799937968 /nfs/dbraw/zinc/93/79/68/799937968.db2.gz LMIQNHGDIOKIKK-UHFFFAOYSA-N 1 1 250.298 0.727 20 10 CCCDMO NC(=O)C[C@H]1C[C@@H]2C[N@@H+](Cc3cc(F)ccc3O)C[C@@H]2O1 ZINC001278255184 806791990 /nfs/dbraw/zinc/79/19/90/806791990.db2.gz NTXPVOSOWJKPIW-QKCSRTOESA-N 1 1 294.326 0.996 20 10 CCCDMO CS(=O)(=O)[C@H]1CC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141159834 799987381 /nfs/dbraw/zinc/98/73/81/799987381.db2.gz MFWUDOPOPYTPTD-NSHDSACASA-N 1 1 271.338 0.717 20 10 CCCDMO CS(=O)(=O)[C@H]1CC[N@@H+](Cc2cc(O)ccc2O)C1 ZINC001141159834 799987386 /nfs/dbraw/zinc/98/73/86/799987386.db2.gz MFWUDOPOPYTPTD-NSHDSACASA-N 1 1 271.338 0.717 20 10 CCCDMO COc1cccc(C[N@H+]2C[C@@H]3CCNC(=O)[C@@H]3C2)c1O ZINC001203597232 803036300 /nfs/dbraw/zinc/03/63/00/803036300.db2.gz XZSCKKMFTSRSAC-CMPLNLGQSA-N 1 1 276.336 0.969 20 10 CCCDMO C[C@]1(CO)C[N@@H+](Cc2ccc(O)c(O)c2)CC[C@@H]1O ZINC001203875160 803049086 /nfs/dbraw/zinc/04/90/86/803049086.db2.gz JGBRXKBNKBNRHG-UONOGXRCSA-N 1 1 267.325 0.663 20 10 CCCDMO COC(=O)[C@@H]1C[N@H+](C)CCN1Cc1ccc(O)cc1O ZINC001204277856 803075763 /nfs/dbraw/zinc/07/57/63/803075763.db2.gz MPRSRQOLTMOSIB-LBPRGKRZSA-N 1 1 280.324 0.387 20 10 CCCDMO COC(=O)[C@@H]1C[N@@H+](C)CCN1Cc1ccc(O)cc1O ZINC001204277856 803075771 /nfs/dbraw/zinc/07/57/71/803075771.db2.gz MPRSRQOLTMOSIB-LBPRGKRZSA-N 1 1 280.324 0.387 20 10 CCCDMO [NH3+][C@@H]1CN(Cc2cc(F)cc(Cl)c2O)C[C@H]1O ZINC001205370090 803138175 /nfs/dbraw/zinc/13/81/75/803138175.db2.gz NEFMABYZRPSISK-NXEZZACHSA-N 1 1 260.696 0.689 20 10 CCCDMO C[N@@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)c1cccc(O)c1O ZINC001269607725 813444877 /nfs/dbraw/zinc/44/48/77/813444877.db2.gz HWAASBUGDCQDQQ-AOOOYVTPSA-N 1 1 278.308 0.253 20 10 CCCDMO C[N@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)c1cccc(O)c1O ZINC001269607725 813444881 /nfs/dbraw/zinc/44/48/81/813444881.db2.gz HWAASBUGDCQDQQ-AOOOYVTPSA-N 1 1 278.308 0.253 20 10 CCCDMO COc1ccc(O)c(CN2C[C@H](O)[C@@H](C[NH3+])C2)c1 ZINC001206512817 803257144 /nfs/dbraw/zinc/25/71/44/803257144.db2.gz ULKBSMPSCDXLGZ-GWCFXTLKSA-N 1 1 252.314 0.152 20 10 CCCDMO COc1cc(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)cc(O)c1O ZINC001276499504 803315489 /nfs/dbraw/zinc/31/54/89/803315489.db2.gz HECCXKLQJCBDGV-GXSJLCMTSA-N 1 1 292.335 0.883 20 10 CCCDMO Oc1cc(F)c(F)cc1C[NH2+]CCN1CC[C@H](O)C1 ZINC001207009045 803332541 /nfs/dbraw/zinc/33/25/41/803332541.db2.gz RSLGPCLTPJJLKI-JTQLQIEISA-N 1 1 272.295 0.827 20 10 CCCDMO COC(=O)Cc1ccc(C[N@H+]2CC[C@@H](O)C2)c(O)c1 ZINC001249171705 807546313 /nfs/dbraw/zinc/54/63/13/807546313.db2.gz DTRBDEJKGLZTTB-GFCCVEGCSA-N 1 1 265.309 0.674 20 10 CCCDMO CC[NH+](CC)C[C@H](O)CNCCc1ccc(O)c(O)c1 ZINC001253206962 808032054 /nfs/dbraw/zinc/03/20/54/808032054.db2.gz VCGJNCFVUNPPAI-CYBMUJFWSA-N 1 1 282.384 0.933 20 10 CCCDMO CCN(CC)C[C@H](O)C[NH2+]CCc1ccc(O)c(O)c1 ZINC001253206962 808032061 /nfs/dbraw/zinc/03/20/61/808032061.db2.gz VCGJNCFVUNPPAI-CYBMUJFWSA-N 1 1 282.384 0.933 20 10 CCCDMO C[N@H+]1CCC2(CN(C(=O)CN3C(=O)CSC3=S)C2)C1 ZINC001268909338 813140775 /nfs/dbraw/zinc/14/07/75/813140775.db2.gz JIENFDLTQMWXMM-UHFFFAOYSA-N 1 1 299.421 0.011 20 10 CCCDMO C[N@@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)Cc1ccc(O)c(O)c1 ZINC001270577020 813818917 /nfs/dbraw/zinc/81/89/17/813818917.db2.gz UIASVHYUKYKGCB-TXEJJXNPSA-N 1 1 292.335 0.182 20 10 CCCDMO C[N@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)Cc1ccc(O)c(O)c1 ZINC001270577020 813818928 /nfs/dbraw/zinc/81/89/28/813818928.db2.gz UIASVHYUKYKGCB-TXEJJXNPSA-N 1 1 292.335 0.182 20 10 CCCDMO CON(C)C(=O)C[NH2+]Cc1cc(F)cc(F)c1O ZINC000708483622 819761723 /nfs/dbraw/zinc/76/17/23/819761723.db2.gz FBCHRSGSYKQIRW-UHFFFAOYSA-N 1 1 260.240 0.780 20 10 CCCDMO CN1C[C@@]2(CC[N@H+](Cc3c(O)cccc3F)C2)OCC1=O ZINC001273265083 821501201 /nfs/dbraw/zinc/50/12/01/821501201.db2.gz BBSZVORNVFXAOM-OAHLLOKOSA-N 1 1 294.326 0.964 20 10 CCCDMO CN1C[C@@]2(CC[N@@H+](Cc3c(O)cccc3F)C2)OCC1=O ZINC001273265083 821501204 /nfs/dbraw/zinc/50/12/04/821501204.db2.gz BBSZVORNVFXAOM-OAHLLOKOSA-N 1 1 294.326 0.964 20 10 CCCDMO O=C1NCC[C@]12CCC[N@H+](Cc1c(O)cc(O)cc1O)C2 ZINC001144510010 840072651 /nfs/dbraw/zinc/07/26/51/840072651.db2.gz PPTQDOJQBFUOOW-HNNXBMFYSA-N 1 1 292.335 0.906 20 10 CCCDMO O=C1NC[C@@]2(CCC[N@H+](Cc3c(O)cc(O)cc3O)C2)O1 ZINC001144514644 840074361 /nfs/dbraw/zinc/07/43/61/840074361.db2.gz NDXVTHDCJHYWND-CQSZACIVSA-N 1 1 294.307 0.878 20 10 CCCDMO Oc1cc(O)c(C[N@H+]2CCN3CC[C@@H]3C2)c(O)c1 ZINC001144516252 840075937 /nfs/dbraw/zinc/07/59/37/840075937.db2.gz VMNDQJMXASOHJK-SECBINFHSA-N 1 1 250.298 0.693 20 10 CCCDMO Oc1cc(O)c(CN2CC[N@@H+]3CC[C@@H]3C2)c(O)c1 ZINC001144516252 840075945 /nfs/dbraw/zinc/07/59/45/840075945.db2.gz VMNDQJMXASOHJK-SECBINFHSA-N 1 1 250.298 0.693 20 10 CCCDMO Oc1cc(O)c(CN2CC[N@H+]3CC[C@@H]3C2)c(O)c1 ZINC001144516252 840075952 /nfs/dbraw/zinc/07/59/52/840075952.db2.gz VMNDQJMXASOHJK-SECBINFHSA-N 1 1 250.298 0.693 20 10 CCCDMO C[N@H+]1CCC[C@H](NC(=O)c2cc(O)c(O)c(O)c2)C1 ZINC001148589580 840855374 /nfs/dbraw/zinc/85/53/74/840855374.db2.gz CMGFBTIUJWWPDP-VIFPVBQESA-N 1 1 266.297 0.627 20 10 CCCDMO Cc1c(O)ccc(CN2C[C@@H](O)[C@@H](C[NH3+])C2)c1O ZINC001206474574 843658207 /nfs/dbraw/zinc/65/82/07/843658207.db2.gz FQXDTPUWJUVNRI-CMPLNLGQSA-N 1 1 252.314 0.158 20 10 CCCDMO CN1C[C@@H]2C[N@H+](Cc3c(O)cc(O)cc3O)C[C@H](C1)O2 ZINC001275113035 848641398 /nfs/dbraw/zinc/64/13/98/848641398.db2.gz YQXSLLGUBCZXGN-PHIMTYICSA-N 1 1 280.324 0.318 20 10 CCCDMO COc1ccc(O)c([C@@H](C)[NH2+]Cc2nnnn2C)c1 ZINC000389392522 853995106 /nfs/dbraw/zinc/99/51/06/853995106.db2.gz WJJBNONPCNHMNF-MRVPVSSYSA-N 1 1 263.301 0.775 20 10 CCCDMO C[N@@H+]1C[C@H]2C[C@@H](C1)N2Cc1c(O)cc(O)cc1O ZINC001275112738 900996926 /nfs/dbraw/zinc/99/69/26/900996926.db2.gz NLQLWNZGSIYVME-DTORHVGOSA-N 1 1 250.298 0.692 20 10 CCCDMO C[N@H+]1C[C@@H]2COC[C@H](C1)N2Cc1c(O)cc(O)cc1O ZINC001275112260 900997257 /nfs/dbraw/zinc/99/72/57/900997257.db2.gz AJHDEFMPVQAYIH-AOOOYVTPSA-N 1 1 280.324 0.318 20 10 CCCDMO O=C1NCCn2c(C[NH2+]Cc3ccccc3O)nnc21 ZINC001332673497 918373645 /nfs/dbraw/zinc/37/36/45/918373645.db2.gz JPWXMGLYIITGTI-UHFFFAOYSA-N 1 1 273.296 0.017 20 10 CCCDMO C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N(C)Cc1ccccc1O ZINC001349310899 924928703 /nfs/dbraw/zinc/92/87/03/924928703.db2.gz MTNZWCURCIIQOG-GXTWGEPZSA-N 1 1 289.379 0.739 20 10 CCCDMO C[C@@H](NC(=O)Cc1ccc(N)cc1)[C@H]1C[N@@H+](C)CCN1C ZINC001356254840 926361012 /nfs/dbraw/zinc/36/10/12/926361012.db2.gz WUKYJRGUMUWYSU-IUODEOHRSA-N 1 1 290.411 0.562 20 10 CCCDMO C[C@@H](NC(=O)Cc1ccc(N)cc1)[C@H]1CN(C)CC[N@@H+]1C ZINC001356254840 926361026 /nfs/dbraw/zinc/36/10/26/926361026.db2.gz WUKYJRGUMUWYSU-IUODEOHRSA-N 1 1 290.411 0.562 20 10 CCCDMO C[C@@H](NC(=O)Cc1ccc(N)cc1)[C@H]1CN(C)CC[N@H+]1C ZINC001356254840 926361035 /nfs/dbraw/zinc/36/10/35/926361035.db2.gz WUKYJRGUMUWYSU-IUODEOHRSA-N 1 1 290.411 0.562 20 10 CCCDMO C[N@H+]1CCC[C@@H]1C(=O)NCc1ccc(O)c(O)c1 ZINC000272332664 353053763 /nfs/dbraw/zinc/05/37/63/353053763.db2.gz MYRJEDKBQQLHTP-SNVBAGLBSA-N 1 1 250.298 0.808 20 10 CCCDMO CC(C)(C(N)=O)N1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000272340895 353054184 /nfs/dbraw/zinc/05/41/84/353054184.db2.gz YQCFGXQUTARIBK-UHFFFAOYSA-N 1 1 295.358 0.913 20 10 CCCDMO COc1ccc(O)c(C[N@H+]2CCNC(=O)CC2)c1 ZINC000180061350 389665280 /nfs/dbraw/zinc/66/52/80/389665280.db2.gz DHEUOPPOQCECEG-UHFFFAOYSA-N 1 1 250.298 0.723 20 10 CCCDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1cccc(O)c1O ZINC000126469759 260353355 /nfs/dbraw/zinc/35/33/55/260353355.db2.gz YLYYGFAOJYWZPZ-GHMZBOCLSA-N 1 1 292.335 0.691 20 10 CCCDMO CN(C)c1ccc(C[N@H+]2CC[C@H](NS(C)(=O)=O)C2)cc1 ZINC000093530692 522179092 /nfs/dbraw/zinc/17/90/92/522179092.db2.gz WUSUUPQBBIECQD-ZDUSSCGKSA-N 1 1 297.424 0.876 20 10 CCCDMO COC[C@H](O)C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278499474 522801583 /nfs/dbraw/zinc/80/15/83/522801583.db2.gz NLOXKPRUGYKQQQ-SECBINFHSA-N 1 1 286.284 0.406 20 10 CCCDMO COCCC[N@@H+](C)CCNC(=O)Cc1ccc(N)cc1 ZINC000237189774 523217869 /nfs/dbraw/zinc/21/78/69/523217869.db2.gz ZNGTUGVHRWEBIS-UHFFFAOYSA-N 1 1 279.384 0.896 20 10 CCCDMO COc1ccc(O)c(C[N@H+]2CC[C@@H](S(N)(=O)=O)C2)c1 ZINC000785986097 581426524 /nfs/dbraw/zinc/42/65/24/581426524.db2.gz SBHFBDPZXYPJFF-LLVKDONJSA-N 1 1 286.353 0.264 20 10 CCCDMO C[C@H]1C[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C[C@H]1O ZINC000768772541 581655381 /nfs/dbraw/zinc/65/53/81/581655381.db2.gz ZPBQDXFOIKETOL-SWLSCSKDSA-N 1 1 291.395 0.681 20 10 CCCDMO C[N@@H+](CCN1CCCS1(=O)=O)Cc1ccccc1O ZINC000749296122 582002431 /nfs/dbraw/zinc/00/24/31/582002431.db2.gz FJJSVPOYWLSGOJ-UHFFFAOYSA-N 1 1 284.381 0.860 20 10 CCCDMO CCNC(=O)C[N@H+](C)Cc1cc(OC)c(OC)cc1O ZINC000768439831 582106672 /nfs/dbraw/zinc/10/66/72/582106672.db2.gz KYYZABJQVZLZOO-UHFFFAOYSA-N 1 1 282.340 0.977 20 10 CCCDMO CCNC(=O)C[N@@H+](C)Cc1cc(OC)c(OC)cc1O ZINC000768439831 582106673 /nfs/dbraw/zinc/10/66/73/582106673.db2.gz KYYZABJQVZLZOO-UHFFFAOYSA-N 1 1 282.340 0.977 20 10 CCCDMO C[C@@H](NC(=O)CN1CC[NH+](C)CC1)c1ccccc1O ZINC000827936956 617192423 /nfs/dbraw/zinc/19/24/23/617192423.db2.gz IDNFOKGARSWPPU-GFCCVEGCSA-N 1 1 277.368 0.817 20 10 CCCDMO COc1cc(O)c(C[N@H+]2CC[C@H]2CO)cc1OC ZINC000902633148 617207606 /nfs/dbraw/zinc/20/76/06/617207606.db2.gz SAVQIZZGXDGJFI-JTQLQIEISA-N 1 1 253.298 0.976 20 10 CCCDMO COc1cc(O)c(CN[C@H]2C[C@H]([NH3+])C2)cc1OC ZINC000906516746 617207797 /nfs/dbraw/zinc/20/77/97/617207797.db2.gz JTSKQRJKZSKDDA-MGCOHNPYSA-N 1 1 252.314 0.989 20 10 CCCDMO COc1ccc(CN2CC[N@@H+](C)C[C@@H]2CO)c(O)c1OC ZINC000895478959 617250362 /nfs/dbraw/zinc/25/03/62/617250362.db2.gz AFNOWMASVZWPSJ-GFCCVEGCSA-N 1 1 296.367 0.518 20 10 CCCDMO COc1ccc(N(C)CC[N@@H+](C)C[C@@H](O)[C@@H](C)O)cc1 ZINC000930847689 617267144 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CC1(C)C[N@@H+](Cc2cccc(F)c2[O-])CCN1CC(N)=O ZINC001138128759 799702778 /nfs/dbraw/zinc/70/27/78/799702778.db2.gz XVSNWTWKMGVGCP-UHFFFAOYSA-N 1 1 295.358 0.913 20 10 CCCDMO NC(=O)C1C[NH+](Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001140664070 799927492 /nfs/dbraw/zinc/92/74/92/799927492.db2.gz XJCDLWJKKSTDJU-UHFFFAOYSA-N 1 1 293.342 0.579 20 10 CCCDMO Cc1c(O)ccc(C[N@@H+]2CCO[C@@H](C(N)=O)C2)c1O ZINC001140747379 799938915 /nfs/dbraw/zinc/93/89/15/799938915.db2.gz AWJZGQKABOQGDY-LLVKDONJSA-N 1 1 266.297 0.092 20 10 CCCDMO Cc1c(O)ccc(C[N@H+]2CCO[C@@H](C(N)=O)C2)c1O ZINC001140747379 799938919 /nfs/dbraw/zinc/93/89/19/799938919.db2.gz AWJZGQKABOQGDY-LLVKDONJSA-N 1 1 266.297 0.092 20 10 CCCDMO OC[C@@H]1C[N@@H+](Cc2cc(O)ccc2O)CC[C@H]1O ZINC001141156569 799984530 /nfs/dbraw/zinc/98/45/30/799984530.db2.gz NNFQKGSOOFFWJX-GXFFZTMASA-N 1 1 253.298 0.273 20 10 CCCDMO OCCCN1CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141156483 799985446 /nfs/dbraw/zinc/98/54/46/799985446.db2.gz MEYJYRVFRXHGPC-UHFFFAOYSA-N 1 1 266.341 0.598 20 10 CCCDMO [NH3+][C@H](CC(=O)N1CCNC2(CC2)C1)c1ccccc1O ZINC001161550673 802177413 /nfs/dbraw/zinc/17/74/13/802177413.db2.gz OKSVEDUWYZWPNM-GFCCVEGCSA-N 1 1 275.352 0.747 20 10 CCCDMO COC(=O)[C@H]1C[N@@H+](Cc2ccccc2O)CCN1C ZINC001203558645 803034760 /nfs/dbraw/zinc/03/47/60/803034760.db2.gz SEEUYKTXIWNBNR-GFCCVEGCSA-N 1 1 264.325 0.681 20 10 CCCDMO COc1cccc(C[N@H+]2C[C@H]3CN(C)C(=O)[C@H]3C2)c1O ZINC001203594190 803035937 /nfs/dbraw/zinc/03/59/37/803035937.db2.gz ULFKQQJUHKUKMX-NEPJUHHUSA-N 1 1 276.336 0.921 20 10 CCCDMO C[N@H+](Cc1cc(Br)ccc1O)C[C@@H](O)CO ZINC001203640108 803039944 /nfs/dbraw/zinc/03/99/44/803039944.db2.gz RWABLLWHJJPPMA-SNVBAGLBSA-N 1 1 290.157 0.940 20 10 CCCDMO CN1CC[N@H+](Cc2ccc(O)c(O)c2)CCC1=O ZINC001203882879 803050846 /nfs/dbraw/zinc/05/08/46/803050846.db2.gz VYPJSKASEXCHAJ-UHFFFAOYSA-N 1 1 250.298 0.762 20 10 CCCDMO CN1CC[N@@H+](Cc2ccc(O)c(O)c2)CCC1=O ZINC001203882879 803050848 /nfs/dbraw/zinc/05/08/48/803050848.db2.gz VYPJSKASEXCHAJ-UHFFFAOYSA-N 1 1 250.298 0.762 20 10 CCCDMO [NH3+]C[C@H]1CN(Cc2cc(Cl)cc(F)c2O)C[C@@H]1O ZINC001206534733 803263162 /nfs/dbraw/zinc/26/31/62/803263162.db2.gz BGBOIGITRGGVJT-KWQFWETISA-N 1 1 274.723 0.936 20 10 CCCDMO [O-]c1c(F)cccc1C[N@H+]1C[C@H](CO)[C@H](CCO)C1 ZINC001207825159 803453655 /nfs/dbraw/zinc/45/36/55/803453655.db2.gz UZXDAEIABISWDB-ZYHUDNBSSA-N 1 1 269.316 0.954 20 10 CCCDMO OCC[C@@H]1C[N@H+](Cc2cccc(F)c2O)C[C@@H]1CO ZINC001207825159 803453660 /nfs/dbraw/zinc/45/36/60/803453660.db2.gz UZXDAEIABISWDB-ZYHUDNBSSA-N 1 1 269.316 0.954 20 10 CCCDMO OCC[C@@H]1C[N@@H+](Cc2cccc(F)c2O)C[C@@H]1CO ZINC001207825159 803453664 /nfs/dbraw/zinc/45/36/64/803453664.db2.gz UZXDAEIABISWDB-ZYHUDNBSSA-N 1 1 269.316 0.954 20 10 CCCDMO C[N@H+]1C[C@H]2CN(C(=O)c3ccc(O)c(O)c3)C[C@@H](C1)O2 ZINC001270037287 813594809 /nfs/dbraw/zinc/59/48/09/813594809.db2.gz IWQCYUCRFFTHBY-PHIMTYICSA-N 1 1 278.308 0.253 20 10 CCCDMO C[N@@H+]1C[C@H]2CN(C(=O)c3ccc(O)c(O)c3)C[C@@H](C1)O2 ZINC001270037287 813594811 /nfs/dbraw/zinc/59/48/11/813594811.db2.gz IWQCYUCRFFTHBY-PHIMTYICSA-N 1 1 278.308 0.253 20 10 CCCDMO Cc1c(O)ccc(C[NH+]2CC3(C2)COCC(=O)N3C)c1O ZINC001272660910 816978450 /nfs/dbraw/zinc/97/84/50/816978450.db2.gz YECIKRFXRSOXJC-UHFFFAOYSA-N 1 1 292.335 0.449 20 10 CCCDMO COC(=O)[C@H]1C[N@H+](Cc2ccc(C)cc2O)C[C@@H]1N ZINC001236352170 817282579 /nfs/dbraw/zinc/28/25/79/817282579.db2.gz VCJIYHVIWXFWMB-RYUDHWBXSA-N 1 1 264.325 0.633 20 10 CCCDMO COC(=O)[C@H]1C[N@@H+](Cc2ccc(C)cc2O)C[C@@H]1N ZINC001236352170 817282583 /nfs/dbraw/zinc/28/25/83/817282583.db2.gz VCJIYHVIWXFWMB-RYUDHWBXSA-N 1 1 264.325 0.633 20 10 CCCDMO CS(=O)(=O)CC[NH2+]Cc1cc(F)cc(F)c1O ZINC000708494784 819786648 /nfs/dbraw/zinc/78/66/48/819786648.db2.gz PGEFXWLSNGNAHY-UHFFFAOYSA-N 1 1 265.281 0.805 20 10 CCCDMO CN(C)S(=O)(=O)N1CC[NH+](Cc2ccccc2O)CC1 ZINC000710212165 819823699 /nfs/dbraw/zinc/82/36/99/819823699.db2.gz CFGVOOBKGMJAIE-UHFFFAOYSA-N 1 1 299.396 0.316 20 10 CCCDMO COC(=O)[C@@H]1C[N@H+](C)CCN1Cc1ccccc1O ZINC001203561798 843981325 /nfs/dbraw/zinc/98/13/25/843981325.db2.gz ZSNLEGGXRWCVSN-LBPRGKRZSA-N 1 1 264.325 0.681 20 10 CCCDMO COC(=O)[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1O ZINC001203561798 843981329 /nfs/dbraw/zinc/98/13/29/843981329.db2.gz ZSNLEGGXRWCVSN-LBPRGKRZSA-N 1 1 264.325 0.681 20 10 CCCDMO COCC[N@H+](CC(=O)N(C)C)Cc1ccc(N)cc1 ZINC001120263500 857022970 /nfs/dbraw/zinc/02/29/70/857022970.db2.gz QDBCVGHUMSCKGL-UHFFFAOYSA-N 1 1 265.357 0.805 20 10 CCCDMO COCC[N@@H+](CC(=O)N(C)C)Cc1ccc(N)cc1 ZINC001120263500 857022976 /nfs/dbraw/zinc/02/29/76/857022976.db2.gz QDBCVGHUMSCKGL-UHFFFAOYSA-N 1 1 265.357 0.805 20 10 CCCDMO COCC[N@@H+](C)CCNC(=O)NCc1ccc(N)cc1 ZINC001335457063 920208059 /nfs/dbraw/zinc/20/80/59/920208059.db2.gz IXMJCMGSTUGCAZ-UHFFFAOYSA-N 1 1 280.372 0.646 20 10 CCCDMO C[NH2+][C@@H](C(=O)NCc1ccc(N)cc1)c1cnn(C)c1 ZINC001343567677 923376170 /nfs/dbraw/zinc/37/61/70/923376170.db2.gz SLWVYYHKNVYTQY-CYBMUJFWSA-N 1 1 273.340 0.579 20 10 CCCDMO Nc1ccc(C[N@@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)cc1 ZINC001352789933 925642553 /nfs/dbraw/zinc/64/25/53/925642553.db2.gz LIJHSDWJCLTYGO-NSHDSACASA-N 1 1 260.297 0.005 20 10 CCCDMO Nc1ccc(C[N@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)cc1 ZINC001352789933 925642558 /nfs/dbraw/zinc/64/25/58/925642558.db2.gz LIJHSDWJCLTYGO-NSHDSACASA-N 1 1 260.297 0.005 20 10 CCCDMO COc1cccc(C[N@@H+]2CCC[NH2+]C[C@H]2C(=O)[O-])c1O ZINC001599674093 994866094 /nfs/dbraw/zinc/86/60/94/994866094.db2.gz ZXOZEWJGCUIZHR-NSHDSACASA-N 1 1 280.324 0.649 20 10 CCCDMO COc1cccc(C[N@H+]2CCC[NH2+]C[C@H]2C(=O)[O-])c1O ZINC001599674093 994866102 /nfs/dbraw/zinc/86/61/02/994866102.db2.gz ZXOZEWJGCUIZHR-NSHDSACASA-N 1 1 280.324 0.649 20 10 CCCDMO C[C@H](CNC(=O)c1cccc(O)c1O)C[NH+]1CCOCC1 ZINC000187114466 351529843 /nfs/dbraw/zinc/52/98/43/351529843.db2.gz BJMLHDBFHQIKRC-LLVKDONJSA-N 1 1 294.351 0.796 20 10 CCCDMO COCC[N@@H+](C)CCCNC(=O)c1cccc(O)c1O ZINC000192985515 351806592 /nfs/dbraw/zinc/80/65/92/351806592.db2.gz AIJMEODEBKWNMS-UHFFFAOYSA-N 1 1 282.340 0.796 20 10 CCCDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CC[C@@H](CO)C2)cc1 ZINC000174705971 389528704 /nfs/dbraw/zinc/52/87/04/389528704.db2.gz XRVLRLICJCZTKV-CQSZACIVSA-N 1 1 291.395 0.683 20 10 CCCDMO CS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC000179577644 389660368 /nfs/dbraw/zinc/66/03/68/389660368.db2.gz UIGFVGNELOJENW-LLVKDONJSA-N 1 1 270.354 0.516 20 10 CCCDMO O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1COCC[NH2+]1 ZINC000178710162 261756129 /nfs/dbraw/zinc/75/61/29/261756129.db2.gz LCLVJVYISSNSIG-HNNXBMFYSA-N 1 1 289.379 0.891 20 10 CCCDMO COCC[N@H+]1CC[C@@H](NC(=O)c2cccc(O)c2O)C1 ZINC000279433782 523866191 /nfs/dbraw/zinc/86/61/91/523866191.db2.gz ZKSINZHXLDMNPI-SNVBAGLBSA-N 1 1 280.324 0.548 20 10 CCCDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)Cc1ccc(N)cc1 ZINC000068799932 523887232 /nfs/dbraw/zinc/88/72/32/523887232.db2.gz GLBMGZHURGIGPX-CQSZACIVSA-N 1 1 276.384 0.173 20 10 CCCDMO C[C@@H](O)C[NH+]1CCN(C(=O)c2cccc(O)c2O)CC1 ZINC000275510987 525793940 /nfs/dbraw/zinc/79/39/40/525793940.db2.gz ZPPMHOJDMOKEGN-SNVBAGLBSA-N 1 1 280.324 0.236 20 10 CCCDMO COc1ccc(O)c(C[N@@H+]2CCN3C(=O)NC(=O)[C@H]3C2)c1 ZINC000779432972 581185154 /nfs/dbraw/zinc/18/51/54/581185154.db2.gz MOXDCBHPGKYZGG-LLVKDONJSA-N 1 1 291.307 0.137 20 10 CCCDMO COc1ccc(O)c(C[N@H+]2CCN3C(=O)NC(=O)[C@H]3C2)c1 ZINC000779432972 581185156 /nfs/dbraw/zinc/18/51/56/581185156.db2.gz MOXDCBHPGKYZGG-LLVKDONJSA-N 1 1 291.307 0.137 20 10 CCCDMO CCOc1ccc(C[N@@H+]2CCO[C@H](C(=O)NC)C2)c(O)c1 ZINC000781926288 581280870 /nfs/dbraw/zinc/28/08/70/581280870.db2.gz MDRRKIRKFMJEQO-AWEZNQCLSA-N 1 1 294.351 0.738 20 10 CCCDMO CCOc1ccc(C[N@H+]2CCO[C@H](C(=O)NC)C2)c(O)c1 ZINC000781926288 581280871 /nfs/dbraw/zinc/28/08/71/581280871.db2.gz MDRRKIRKFMJEQO-AWEZNQCLSA-N 1 1 294.351 0.738 20 10 CCCDMO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)c1O ZINC000787996681 581484135 /nfs/dbraw/zinc/48/41/35/581484135.db2.gz NNUMIZWJGZXJNJ-HZMBPMFUSA-N 1 1 297.326 0.909 20 10 CCCDMO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](CO)[C@@H](O)C2)c1O ZINC000787996681 581484136 /nfs/dbraw/zinc/48/41/36/581484136.db2.gz NNUMIZWJGZXJNJ-HZMBPMFUSA-N 1 1 297.326 0.909 20 10 CCCDMO COc1cccc(O)c1C[NH+]1CCN(CC(N)=O)CC1 ZINC000768217443 581648557 /nfs/dbraw/zinc/64/85/57/581648557.db2.gz PIHQVPJTHHQGGQ-UHFFFAOYSA-N 1 1 279.340 0.004 20 10 CCCDMO NC(=O)c1cc(C[NH2+]Cc2cc3c(cc2O)OCO3)on1 ZINC000757904908 581713818 /nfs/dbraw/zinc/71/38/18/581713818.db2.gz AWVYJGOZWBUONA-UHFFFAOYSA-N 1 1 291.263 0.498 20 10 CCCDMO COc1cc(O)c(C[N@@H+]2CCCNC(=O)C2)cc1OC ZINC000775662552 582033370 /nfs/dbraw/zinc/03/33/70/582033370.db2.gz GACBUWVYSHCZJK-UHFFFAOYSA-N 1 1 280.324 0.731 20 10 CCCDMO COc1cc(O)c(C[N@H+]2CCCNC(=O)C2)cc1OC ZINC000775662552 582033372 /nfs/dbraw/zinc/03/33/72/582033372.db2.gz GACBUWVYSHCZJK-UHFFFAOYSA-N 1 1 280.324 0.731 20 10 CCCDMO COc1cc(O)c(C[NH2+]CC2(N)CC2)cc1OC ZINC000904448602 617207684 /nfs/dbraw/zinc/20/76/84/617207684.db2.gz CGRQIMSFURFJFW-UHFFFAOYSA-N 1 1 252.314 0.990 20 10 CCCDMO COc1ccc(O)c(C[N@@H+]2CCO[C@H]([C@H](C)O)C2)c1 ZINC000840977878 617272814 /nfs/dbraw/zinc/27/28/14/617272814.db2.gz KUXXBWKYIJFZDO-HZMBPMFUSA-N 1 1 267.325 0.982 20 10 CCCDMO COc1ccc(O)c(C[N@H+]2CCO[C@H]([C@H](C)O)C2)c1 ZINC000840977878 617272816 /nfs/dbraw/zinc/27/28/16/617272816.db2.gz KUXXBWKYIJFZDO-HZMBPMFUSA-N 1 1 267.325 0.982 20 10 CCCDMO COc1ccc(O)c(C[N@H+]2C[C@H](CO)[C@H](CO)C2)c1 ZINC000877764685 617272901 /nfs/dbraw/zinc/27/29/01/617272901.db2.gz IKIMTIFHDBSUAA-TXEJJXNPSA-N 1 1 267.325 0.433 20 10 CCCDMO CCN(C)c1ccc(C[N@H+](C)CCS(N)(=O)=O)cc1 ZINC000880083634 614921049 /nfs/dbraw/zinc/92/10/49/614921049.db2.gz DNPZBEUSSPRTLO-UHFFFAOYSA-N 1 1 285.413 0.863 20 10 CCCDMO CCN(C)c1ccc(C[N@@H+](C)CCS(N)(=O)=O)cc1 ZINC000880083634 614921051 /nfs/dbraw/zinc/92/10/51/614921051.db2.gz DNPZBEUSSPRTLO-UHFFFAOYSA-N 1 1 285.413 0.863 20 10 CCCDMO CCN(CC)c1ccc(C[N@@H+]2C[C@H](O)C[C@H]2C(N)=O)cc1 ZINC000895367273 615013578 /nfs/dbraw/zinc/01/35/78/615013578.db2.gz DKKSJENYLVYOOF-CABCVRRESA-N 1 1 291.395 0.953 20 10 CCCDMO CCN(CC)c1ccc(C[N@H+]2C[C@H](O)C[C@H]2C(N)=O)cc1 ZINC000895367273 615013580 /nfs/dbraw/zinc/01/35/80/615013580.db2.gz DKKSJENYLVYOOF-CABCVRRESA-N 1 1 291.395 0.953 20 10 CCCDMO CCOc1ccc(C[N@H+]2CCN(C)C[C@H]2CO)c(O)c1 ZINC000877644770 615510643 /nfs/dbraw/zinc/51/06/43/615510643.db2.gz SYFOUHKWNBBEOJ-ZDUSSCGKSA-N 1 1 280.368 0.899 20 10 CCCDMO CCOc1ccc(CN2CC[N@H+](C)C[C@H]2CO)c(O)c1 ZINC000877644770 615510645 /nfs/dbraw/zinc/51/06/45/615510645.db2.gz SYFOUHKWNBBEOJ-ZDUSSCGKSA-N 1 1 280.368 0.899 20 10 CCCDMO CCOc1ccc(CN2CC[N@@H+](C)C[C@H]2CO)c(O)c1 ZINC000877644770 615510647 /nfs/dbraw/zinc/51/06/47/615510647.db2.gz SYFOUHKWNBBEOJ-ZDUSSCGKSA-N 1 1 280.368 0.899 20 10 CCCDMO CCc1cccc(C[NH+]2CCN(C(=O)[C@H](C)O)CC2)c1O ZINC000848890665 615682747 /nfs/dbraw/zinc/68/27/47/615682747.db2.gz TXGOUORISJMWOV-LBPRGKRZSA-N 1 1 292.379 0.980 20 10 CCCDMO CN1C(=O)[C@H]2C[N@H+](Cc3cc(F)cc(F)c3O)C[C@H]2C1=O ZINC000895456920 616158698 /nfs/dbraw/zinc/15/86/98/616158698.db2.gz JIZBNVZSUHBYOX-AOOOYVTPSA-N 1 1 296.273 0.717 20 10 CCCDMO CN1C(=O)[C@H]2C[N@@H+](Cc3cc(F)cc(F)c3O)C[C@H]2C1=O ZINC000895456920 616158699 /nfs/dbraw/zinc/15/86/99/616158699.db2.gz JIZBNVZSUHBYOX-AOOOYVTPSA-N 1 1 296.273 0.717 20 10 CCCDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)[C@@H]1COC[C@H]1O ZINC000931745289 616167252 /nfs/dbraw/zinc/16/72/52/616167252.db2.gz KJMCHKOZKNZLIW-HZPDHXFCSA-N 1 1 292.379 0.715 20 10 CCCDMO CN1CC[N@@H+](C)CC(C(=O)NCc2ccccc2O)C1 ZINC000907056533 616234225 /nfs/dbraw/zinc/23/42/25/616234225.db2.gz NBXCEJFFXVKBLD-UHFFFAOYSA-N 1 1 277.368 0.502 20 10 CCCDMO C[N@@H+](CC(=O)[O-])Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000108245353 616247139 /nfs/dbraw/zinc/24/71/39/616247139.db2.gz HOAQALDQYRASHS-UHFFFAOYSA-N 1 1 277.368 0.955 20 10 CCCDMO CN1CCN(c2ccc(CN[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000841044748 616247234 /nfs/dbraw/zinc/24/72/34/616247234.db2.gz HCCOTNGLZABRFZ-HNNXBMFYSA-N 1 1 274.412 0.890 20 10 CCCDMO C[N@@H+]1CCO[C@@H](C(=O)NCc2ccc(O)cc2O)C1 ZINC000910950525 616252685 /nfs/dbraw/zinc/25/26/85/616252685.db2.gz GSVWFGYZKHZARN-GFCCVEGCSA-N 1 1 266.297 0.045 20 10 CCCDMO C[N@H+]1CCO[C@@H](C(=O)NCc2ccc(O)cc2O)C1 ZINC000910950525 616252686 /nfs/dbraw/zinc/25/26/86/616252686.db2.gz GSVWFGYZKHZARN-GFCCVEGCSA-N 1 1 266.297 0.045 20 10 CCCDMO C[N@H+]1CC[C@@H]1CN1C(=O)CN(Cc2ccccc2O)C1=O ZINC000925196519 616284485 /nfs/dbraw/zinc/28/44/85/616284485.db2.gz NLTZLQLHKHBEMU-GFCCVEGCSA-N 1 1 289.335 0.861 20 10 CCCDMO COCCNCC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000841047511 616510527 /nfs/dbraw/zinc/51/05/27/616510527.db2.gz DJDFHTRYVCPMRM-UHFFFAOYSA-N 1 1 268.313 0.447 20 10 CCCDMO COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1O ZINC000841892118 616603835 /nfs/dbraw/zinc/60/38/35/616603835.db2.gz FDUJBVQGMHNCER-LBPRGKRZSA-N 1 1 292.335 0.646 20 10 CCCDMO COc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1O ZINC000179582190 623334077 /nfs/dbraw/zinc/33/40/77/623334077.db2.gz WYJSWFAQRVZRPS-SNVBAGLBSA-N 1 1 250.298 0.851 20 10 CCCDMO C[C@@H]([NH2+]CC(=O)N1CCNCC1)c1ccccc1O ZINC000817945749 641281153 /nfs/dbraw/zinc/28/11/53/641281153.db2.gz KUADSDXGOBJCOY-LLVKDONJSA-N 1 1 263.341 0.475 20 10 CCCDMO Cc1ccc(C[NH+]2CCN(C(=O)[C@H](C)O)CC2)c(O)c1 ZINC000876772565 646661650 /nfs/dbraw/zinc/66/16/50/646661650.db2.gz DVGDWIPMSKKLID-LBPRGKRZSA-N 1 1 278.352 0.726 20 10 CCCDMO Cc1cccc(O)c1C[N@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000877466109 646818605 /nfs/dbraw/zinc/81/86/05/646818605.db2.gz XSRTUMBATBHGES-SNVBAGLBSA-N 1 1 270.354 0.563 20 10 CCCDMO C[C@H]([NH2+]C[C@@H](O)CS(C)(=O)=O)c1ccc(F)cc1O ZINC000927026074 648539715 /nfs/dbraw/zinc/53/97/15/648539715.db2.gz POHTUDMUXYLJAV-WCBMZHEXSA-N 1 1 291.344 0.587 20 10 CCCDMO O=C(CC[NH+]1CCOCC1)NCc1c(O)cccc1F ZINC000928710317 648659043 /nfs/dbraw/zinc/65/90/43/648659043.db2.gz AZHIVTGESKIXDQ-UHFFFAOYSA-N 1 1 282.315 0.870 20 10 CCCDMO OC[C@@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)C[C@H]1O ZINC000930699849 648891796 /nfs/dbraw/zinc/89/17/96/648891796.db2.gz LNWBKIYOOJSYOD-GOEBONIOSA-N 1 1 292.379 0.308 20 10 CCCDMO COc1ccc(O)c(C[N@@H+]2C[C@@H](C)O[C@@H](CO)C2)c1 ZINC000191536379 649482156 /nfs/dbraw/zinc/48/21/56/649482156.db2.gz DMAVJXKXBSLYFF-ZWNOBZJWSA-N 1 1 267.325 0.982 20 10 CCCDMO COc1ccc(O)c(C[N@H+]2C[C@@H](C)O[C@@H](CO)C2)c1 ZINC000191536379 649482157 /nfs/dbraw/zinc/48/21/57/649482157.db2.gz DMAVJXKXBSLYFF-ZWNOBZJWSA-N 1 1 267.325 0.982 20 10 CCCDMO NC(=O)C[C@@H]1C[C@@H]2C[N@@H+](Cc3ccccc3O)C[C@@H]2O1 ZINC001277441786 805578244 /nfs/dbraw/zinc/57/82/44/805578244.db2.gz OYSZCSYKNHIYTC-DYEKYZERSA-N 1 1 276.336 0.857 20 10 CCCDMO COc1cc(C[N@H+]2CC[C@H](CO)[C@@H](O)C2)c(O)cc1O ZINC001231634316 805823476 /nfs/dbraw/zinc/82/34/76/805823476.db2.gz LEOBKWXHOPKGEH-RNCFNFMXSA-N 1 1 283.324 0.282 20 10 CCCDMO COc1cc(N(C)C)ccc1C[N@H+]1C[C@H](O)[C@@H](CO)C1 ZINC001231849722 805863018 /nfs/dbraw/zinc/86/30/18/805863018.db2.gz XJDOGONFORBAID-OCCSQVGLSA-N 1 1 280.368 0.546 20 10 CCCDMO COc1cc(O)c(C[N@H+]2C[C@H](O)[C@H](CO)C2)cc1Cl ZINC001232267149 805916841 /nfs/dbraw/zinc/91/68/41/805916841.db2.gz XVVYGHJWZWFMPQ-CABZTGNLSA-N 1 1 287.743 0.839 20 10 CCCDMO CN(C)c1ccc(C[N@H+]2CCNC(=O)CC2)c(O)c1 ZINC001232834103 805986321 /nfs/dbraw/zinc/98/63/21/805986321.db2.gz GNFNOAUOJAZFSC-UHFFFAOYSA-N 1 1 263.341 0.780 20 10 CCCDMO Oc1cc(O)c(C[N@@H+]2CCO[C@@]3(CCOC3)C2)cc1O ZINC001233483451 806059943 /nfs/dbraw/zinc/05/99/43/806059943.db2.gz ZNSTYCNTIHJXCT-AWEZNQCLSA-N 1 1 281.308 0.795 20 10 CCCDMO Oc1cc(O)c(C[N@H+]2CCO[C@@]3(CCOC3)C2)cc1O ZINC001233483451 806059947 /nfs/dbraw/zinc/05/99/47/806059947.db2.gz ZNSTYCNTIHJXCT-AWEZNQCLSA-N 1 1 281.308 0.795 20 10 CCCDMO Cc1ccc(C[N@H+]2CC[C@H](CO)[C@H](O)C2)c(O)c1 ZINC001140947793 799963949 /nfs/dbraw/zinc/96/39/49/799963949.db2.gz FUXVVRKRVRQKPU-TZMCWYRMSA-N 1 1 251.326 0.876 20 10 CCCDMO CN1CCOc2cc(C[N@H+]3C[C@@H](O)[C@H](CO)C3)ccc21 ZINC001141139820 799982844 /nfs/dbraw/zinc/98/28/44/799982844.db2.gz CPHBFCWZWXKQPR-GXTWGEPZSA-N 1 1 278.352 0.300 20 10 CCCDMO C[C@@]1(CO)C[N@@H+](Cc2cc(O)ccc2O)CC[C@H]1O ZINC001141155893 799985476 /nfs/dbraw/zinc/98/54/76/799985476.db2.gz AFOIXXRTTRKKDF-KGLIPLIRSA-N 1 1 267.325 0.663 20 10 CCCDMO OC[C@@H]1C[N@H+](Cc2cc(F)c(F)cc2O)CC[C@H]1O ZINC001142508659 800126356 /nfs/dbraw/zinc/12/63/56/800126356.db2.gz GWBGDWAYISNMHB-JOYOIKCWSA-N 1 1 273.279 0.846 20 10 CCCDMO OC[C@@H]1C[N@@H+](Cc2cc(F)c(F)cc2O)CC[C@H]1O ZINC001142508659 800126362 /nfs/dbraw/zinc/12/63/62/800126362.db2.gz GWBGDWAYISNMHB-JOYOIKCWSA-N 1 1 273.279 0.846 20 10 CCCDMO COc1cccc(C[N@H+]2CC[C@H](O)[C@](C)(CO)C2)c1O ZINC001203589049 803036245 /nfs/dbraw/zinc/03/62/45/803036245.db2.gz BXJMKOBQSVIALC-ZFWWWQNUSA-N 1 1 281.352 0.966 20 10 CCCDMO COc1ccc(O)c(C[N@H+]2CC[C@](C)(CO)[C@@H](O)C2)c1 ZINC001203670215 803041181 /nfs/dbraw/zinc/04/11/81/803041181.db2.gz LGQDUHIWKVPQPC-LSDHHAIUSA-N 1 1 281.352 0.966 20 10 CCCDMO O=C1C[N@H+](Cc2ccc(O)cc2O)C[C@H]2CCCN12 ZINC001204277812 803077063 /nfs/dbraw/zinc/07/70/63/803077063.db2.gz BEBAXJAISZVBJT-LLVKDONJSA-N 1 1 262.309 0.904 20 10 CCCDMO O=C1C[N@@H+](Cc2ccc(O)cc2O)C[C@H]2CCCN12 ZINC001204277812 803077069 /nfs/dbraw/zinc/07/70/69/803077069.db2.gz BEBAXJAISZVBJT-LLVKDONJSA-N 1 1 262.309 0.904 20 10 CCCDMO COC(=O)Cc1ccc(C[N@H+]2CC[C@@H](C(N)=O)C2)c(O)c1 ZINC001249201185 807546276 /nfs/dbraw/zinc/54/62/76/807546276.db2.gz JLISEAOVCQOHPI-GFCCVEGCSA-N 1 1 292.335 0.415 20 10 CCCDMO CN1CC(=O)N[C@@H]1c1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001251126237 807668087 /nfs/dbraw/zinc/66/80/87/807668087.db2.gz HROMVNNXUTWJAA-HNNXBMFYSA-N 1 1 292.358 0.638 20 10 CCCDMO Nc1ccc(C[N@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)cc1 ZINC001262487771 809318722 /nfs/dbraw/zinc/31/87/22/809318722.db2.gz DZOPAELBISWVGM-AWEZNQCLSA-N 1 1 274.324 0.443 20 10 CCCDMO C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)CN1C(=O)CSC1=S ZINC001268910366 813141080 /nfs/dbraw/zinc/14/10/80/813141080.db2.gz YKDPCQYWEGTKCL-IUCAKERBSA-N 1 1 299.421 0.152 20 10 CCCDMO C[C@@]1(CO)CC[N@H+](Cc2cc(O)c(O)c(O)c2)C[C@@H]1O ZINC001233009955 816261519 /nfs/dbraw/zinc/26/15/19/816261519.db2.gz FHWQOOJVVPPBCG-JSGCOSHPSA-N 1 1 283.324 0.369 20 10 CCCDMO C[C@@]1(CO)CC[N@@H+](Cc2cc(O)c(O)c(O)c2)C[C@@H]1O ZINC001233009955 816261525 /nfs/dbraw/zinc/26/15/25/816261525.db2.gz FHWQOOJVVPPBCG-JSGCOSHPSA-N 1 1 283.324 0.369 20 10 CCCDMO COc1ccc(C[N@@H+]2CCN3C(=O)COC[C@H]3C2)c(O)c1 ZINC001203629292 844469286 /nfs/dbraw/zinc/46/92/86/844469286.db2.gz VTWOOEOUYLEPBD-GFCCVEGCSA-N 1 1 292.335 0.444 20 10 CCCDMO COc1ccc(C[N@H+]2CCN3C(=O)COC[C@H]3C2)c(O)c1 ZINC001203629292 844469292 /nfs/dbraw/zinc/46/92/92/844469292.db2.gz VTWOOEOUYLEPBD-GFCCVEGCSA-N 1 1 292.335 0.444 20 10 CCCDMO COC(C[N@@H+](C)Cc1c(O)cc(O)cc1O)OC ZINC001144514410 840072014 /nfs/dbraw/zinc/07/20/14/840072014.db2.gz CAKUAAJTZKVNPR-UHFFFAOYSA-N 1 1 257.286 0.854 20 10 CCCDMO CCNC(=O)[C@@H]1CCC[N@H+]1Cc1c(O)cc(O)cc1O ZINC001144516120 840075304 /nfs/dbraw/zinc/07/53/04/840075304.db2.gz QCADLGJJYVVCOI-NSHDSACASA-N 1 1 280.324 0.904 20 10 CCCDMO COc1ccc(CN2C[C@@H]([NH3+])[C@H](O)C2)c(O)c1Cl ZINC001205369704 844596262 /nfs/dbraw/zinc/59/62/62/844596262.db2.gz DMRARJKMVXFOMH-RKDXNWHRSA-N 1 1 272.732 0.558 20 10 CCCDMO COc1cc(C[N@H+]2CCC(=O)N(C)CC2)cc(O)c1O ZINC001204345994 843858573 /nfs/dbraw/zinc/85/85/73/843858573.db2.gz ZFCUBDQOYJVBKH-UHFFFAOYSA-N 1 1 280.324 0.771 20 10 CCCDMO COc1cc(C[N@@H+]2CCC(=O)N(C)CC2)cc(O)c1O ZINC001204345994 843858583 /nfs/dbraw/zinc/85/85/83/843858583.db2.gz ZFCUBDQOYJVBKH-UHFFFAOYSA-N 1 1 280.324 0.771 20 10 CCCDMO COc1ccc(N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000380536377 849675458 /nfs/dbraw/zinc/67/54/58/849675458.db2.gz ATDFRTWGFSOGLM-CQSZACIVSA-N 1 1 280.368 0.825 20 10 CCCDMO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+](Cc3ccc(N)cc3)C[C@H]21 ZINC001120269148 857025845 /nfs/dbraw/zinc/02/58/45/857025845.db2.gz NMRHIXHWBQYAOT-MJBXVCDLSA-N 1 1 296.392 0.513 20 10 CCCDMO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@@H+](Cc3ccc(N)cc3)C[C@H]21 ZINC001120269148 857025856 /nfs/dbraw/zinc/02/58/56/857025856.db2.gz NMRHIXHWBQYAOT-MJBXVCDLSA-N 1 1 296.392 0.513 20 10 CCCDMO [NH3+]C[C@]1(O)CCCN(Cc2cc(O)c(O)c(O)c2)CC1 ZINC001205239437 897708011 /nfs/dbraw/zinc/70/80/11/897708011.db2.gz BFIZMKCCGMUBGZ-AWEZNQCLSA-N 1 1 282.340 0.479 20 10 CCCDMO CN(C)c1ccc(C[N@@H+](C)CCNS(C)(=O)=O)cc1 ZINC001319814657 910304568 /nfs/dbraw/zinc/30/45/68/910304568.db2.gz GUGJNFWDVBZNDF-UHFFFAOYSA-N 1 1 285.413 0.734 20 10 CCCDMO Nc1ccc(C[N@H+]2CC[C@@H]3OCC(=O)N[C@H]3C2)cc1 ZINC001334753919 919743799 /nfs/dbraw/zinc/74/37/99/919743799.db2.gz IMXVUGMDTGADFV-STQMWFEESA-N 1 1 261.325 0.358 20 10 CCCDMO Cn1cc([C@@H]2C[N@H+](Cc3ccc(N)cc3)C[C@H]2N)cn1 ZINC001336116221 920615959 /nfs/dbraw/zinc/61/59/59/920615959.db2.gz DBVUGMMZVSFZGG-LSDHHAIUSA-N 1 1 271.368 0.929 20 10 CCCDMO Cn1cc([C@@H]2C[N@@H+](Cc3ccc(N)cc3)C[C@H]2N)cn1 ZINC001336116221 920615968 /nfs/dbraw/zinc/61/59/68/920615968.db2.gz DBVUGMMZVSFZGG-LSDHHAIUSA-N 1 1 271.368 0.929 20 10 CCCDMO C[C@H](C(=O)NCc1cccc(O)c1O)N1CC[NH+](C)CC1 ZINC001348048432 924585667 /nfs/dbraw/zinc/58/56/67/924585667.db2.gz SZWVBBCBFJDHJF-LLVKDONJSA-N 1 1 293.367 0.350 20 10 CCCDMO NS(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000360342783 389196605 /nfs/dbraw/zinc/19/66/05/389196605.db2.gz KIWLRCIODYVEAT-NSHDSACASA-N 1 1 270.354 0.645 20 10 CCCDMO CN(Cc1ccccc1O)C(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000372359473 389449561 /nfs/dbraw/zinc/44/95/61/389449561.db2.gz LEBNNJRDRPVTKE-AWEZNQCLSA-N 1 1 289.379 0.741 20 10 CCCDMO Cn1ncc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)n1 ZINC000290148524 328094080 /nfs/dbraw/zinc/09/40/80/328094080.db2.gz OSGGCABYJASTKT-UHFFFAOYSA-N 1 1 287.367 0.942 20 10 CCCDMO CN(C(=O)c1c[nH]nc1[C@@H]1CCC[NH2+]C1)c1ccn(C)n1 ZINC000424196206 330325198 /nfs/dbraw/zinc/32/51/98/330325198.db2.gz ZOTVEHLQFUKTCB-SNVBAGLBSA-N 1 1 288.355 0.887 20 10 CCCDMO CN(C)c1ccc(CNC(=O)[C@@H]2COCC[NH2+]2)cc1F ZINC000237084118 522200353 /nfs/dbraw/zinc/20/03/53/522200353.db2.gz CXKPUGYHVHMYIS-LBPRGKRZSA-N 1 1 281.331 0.496 20 10 CCCDMO COc1cc(Cl)cc(C[NH+]2C[C@H](O)[C@@H](O)C2)c1O ZINC000278457222 522535517 /nfs/dbraw/zinc/53/55/17/522535517.db2.gz ZEQBZMJXQNQKPM-UWVGGRQHSA-N 1 1 273.716 0.592 20 10 CCCDMO CNC(=O)[C@@H]1C[N@H+](Cc2c(O)cccc2OC)CCO1 ZINC000781926751 581280763 /nfs/dbraw/zinc/28/07/63/581280763.db2.gz QDOBIBIGAZLHMM-ZDUSSCGKSA-N 1 1 280.324 0.348 20 10 CCCDMO CNC(=O)[C@@H]1C[N@@H+](Cc2c(O)cccc2OC)CCO1 ZINC000781926751 581280764 /nfs/dbraw/zinc/28/07/64/581280764.db2.gz QDOBIBIGAZLHMM-ZDUSSCGKSA-N 1 1 280.324 0.348 20 10 CCCDMO NS(=O)(=O)[C@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000785983968 581426133 /nfs/dbraw/zinc/42/61/33/581426133.db2.gz AHDVRYCLKTZGMT-JTQLQIEISA-N 1 1 274.317 0.394 20 10 CCCDMO NS(=O)(=O)[C@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000785983968 581426136 /nfs/dbraw/zinc/42/61/36/581426136.db2.gz AHDVRYCLKTZGMT-JTQLQIEISA-N 1 1 274.317 0.394 20 10 CCCDMO CN(C)c1ccc(C[N@@H+]2C[C@H](O)C[C@H](O)C2)cc1F ZINC000769565412 581696471 /nfs/dbraw/zinc/69/64/71/581696471.db2.gz VVXHGOKTRREGAC-TXEJJXNPSA-N 1 1 268.332 0.819 20 10 CCCDMO CCN(C)c1ccc(C[N@@H+]2CCO[C@@H](C(N)=O)C2)cc1 ZINC000773753568 581940697 /nfs/dbraw/zinc/94/06/97/581940697.db2.gz DGCLZUGCFVUQMN-CQSZACIVSA-N 1 1 277.368 0.829 20 10 CCCDMO CCN(C)c1ccc(C[N@H+]2CCO[C@@H](C(N)=O)C2)cc1 ZINC000773753568 581940699 /nfs/dbraw/zinc/94/06/99/581940699.db2.gz DGCLZUGCFVUQMN-CQSZACIVSA-N 1 1 277.368 0.829 20 10 CCCDMO COc1cc(C)cc(C[N@H+]2CCN(C)C[C@@H]2CO)c1O ZINC000895358883 617175203 /nfs/dbraw/zinc/17/52/03/617175203.db2.gz FUUCJEHGTBVJBZ-CYBMUJFWSA-N 1 1 280.368 0.818 20 10 CCCDMO COc1cc(C)cc(CN2CC[N@H+](C)C[C@@H]2CO)c1O ZINC000895358883 617175204 /nfs/dbraw/zinc/17/52/04/617175204.db2.gz FUUCJEHGTBVJBZ-CYBMUJFWSA-N 1 1 280.368 0.818 20 10 CCCDMO COc1cc(C)cc(CN2CC[N@@H+](C)C[C@@H]2CO)c1O ZINC000895358883 617175206 /nfs/dbraw/zinc/17/52/06/617175206.db2.gz FUUCJEHGTBVJBZ-CYBMUJFWSA-N 1 1 280.368 0.818 20 10 CCCDMO COc1ccc(C[N@H+]2CC[C@@H](NC(N)=O)C2)c(O)c1OC ZINC000892244132 617250844 /nfs/dbraw/zinc/25/08/44/617250844.db2.gz GCEJYWDVXWULCN-SNVBAGLBSA-N 1 1 295.339 0.652 20 10 CCCDMO COc1ccc(N(C)CC[N@@H+](C)[C@@H](C)C(N)=O)cc1 ZINC000844400050 617267236 /nfs/dbraw/zinc/26/72/36/617267236.db2.gz UDRJEUSLASLDEA-NSHDSACASA-N 1 1 265.357 0.937 20 10 CCCDMO CC[N@@H+](CC(=O)NC)Cc1ccc(OC)c(OC)c1O ZINC000891612217 614936106 /nfs/dbraw/zinc/93/61/06/614936106.db2.gz QLVIEOZTUVSBHX-UHFFFAOYSA-N 1 1 282.340 0.977 20 10 CCCDMO CCOc1ccc(C[N@H+]2C[C@@H](O)[C@H](OC)C2)c(O)c1 ZINC000825017135 615510757 /nfs/dbraw/zinc/51/07/57/615510757.db2.gz MMTADJGZEIODBU-ZIAGYGMSSA-N 1 1 267.325 0.982 20 10 CCCDMO CCOc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2C(N)=O)c(O)c1 ZINC000895367931 615510847 /nfs/dbraw/zinc/51/08/47/615510847.db2.gz KBHYCJSPRNHHRQ-PWSUYJOCSA-N 1 1 280.324 0.211 20 10 CCCDMO CCOc1ccc(C[N@H+]2C[C@H](O)C[C@H]2C(N)=O)c(O)c1 ZINC000895367931 615510849 /nfs/dbraw/zinc/51/08/49/615510849.db2.gz KBHYCJSPRNHHRQ-PWSUYJOCSA-N 1 1 280.324 0.211 20 10 CCCDMO CCc1cccc(C[N@H+]2CC[C@@H](S(N)(=O)=O)C2)c1O ZINC000848904962 615683055 /nfs/dbraw/zinc/68/30/55/615683055.db2.gz FGFFLQSEIGECDG-GFCCVEGCSA-N 1 1 284.381 0.817 20 10 CCCDMO CN(C)c1ccc(C[N@H+]2CC[C@@H](CO)[C@H](O)C2)cc1 ZINC000808751104 616014349 /nfs/dbraw/zinc/01/43/49/616014349.db2.gz RERWXMMXUDJYRH-DZGCQCFKSA-N 1 1 264.369 0.928 20 10 CCCDMO C[N@H+](CC(N)=O)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876566573 616053220 /nfs/dbraw/zinc/05/32/20/616053220.db2.gz MEPKMIOCINOOEX-UHFFFAOYSA-N 1 1 277.368 0.565 20 10 CCCDMO C[N@@H+](CC(N)=O)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876566573 616053221 /nfs/dbraw/zinc/05/32/21/616053221.db2.gz MEPKMIOCINOOEX-UHFFFAOYSA-N 1 1 277.368 0.565 20 10 CCCDMO C[N@H+](Cc1cc2c(cc1O)OCO2)C[C@@H]1COCCO1 ZINC000853558349 616164921 /nfs/dbraw/zinc/16/49/21/616164921.db2.gz HRLAQRYNWMBDMU-LLVKDONJSA-N 1 1 281.308 0.968 20 10 CCCDMO C[N@@H+]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@H](CO)C1 ZINC000912739643 616220047 /nfs/dbraw/zinc/22/00/47/616220047.db2.gz DFMOSXHNHYTMRX-PYEVWLCESA-N 1 1 292.335 0.246 20 10 CCCDMO C[N@H+]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@H](CO)C1 ZINC000912739643 616220048 /nfs/dbraw/zinc/22/00/48/616220048.db2.gz DFMOSXHNHYTMRX-PYEVWLCESA-N 1 1 292.335 0.246 20 10 CCCDMO C[NH+]1CCN(CC(=O)NCc2c(O)cccc2F)CC1 ZINC000928706742 616239867 /nfs/dbraw/zinc/23/98/67/616239867.db2.gz YSCCGNJYAKFDDC-UHFFFAOYSA-N 1 1 281.331 0.395 20 10 CCCDMO C[NH+]1CCN(Cc2cn(-c3ccc(N)cc3)nn2)CC1 ZINC000849134728 616245483 /nfs/dbraw/zinc/24/54/83/616245483.db2.gz MZWCQCXQLHPGHX-UHFFFAOYSA-N 1 1 272.356 0.597 20 10 CCCDMO COC[C@H](O)C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000801732691 616743624 /nfs/dbraw/zinc/74/36/24/616743624.db2.gz UAENOOCJPSWAHM-MRXNPFEDSA-N 1 1 293.411 0.535 20 10 CCCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CCOC[C@H]2O)c1 ZINC000858551817 616918050 /nfs/dbraw/zinc/91/80/50/616918050.db2.gz ABKYSWHUHOJVIB-MRCXROJRSA-N 1 1 295.335 0.979 20 10 CCCDMO COc1c(O)c(C[NH2+]C[C@@H]2CCC(=O)N2)ccc1[N+](=O)[O-] ZINC000827371771 617149259 /nfs/dbraw/zinc/14/92/59/617149259.db2.gz ZPTWBUHYXLAVHZ-VIFPVBQESA-N 1 1 295.295 0.677 20 10 CCCDMO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(N)cc2)C[C@H](C)[N@H+]1C ZINC000841136762 631593972 /nfs/dbraw/zinc/59/39/72/631593972.db2.gz ZXVIXODXLDPMII-PHIMTYICSA-N 1 1 290.367 0.758 20 10 CCCDMO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(N)cc2)C[C@H](C)[N@@H+]1C ZINC000841136762 631593975 /nfs/dbraw/zinc/59/39/75/631593975.db2.gz ZXVIXODXLDPMII-PHIMTYICSA-N 1 1 290.367 0.758 20 10 CCCDMO C[C@@H](NC(=O)[C@H]1C[N@H+]2CCN1CCC2)c1ccccc1O ZINC000827941173 642052604 /nfs/dbraw/zinc/05/26/04/642052604.db2.gz OOOAFFXWEGVMLF-TZMCWYRMSA-N 1 1 289.379 0.959 20 10 CCCDMO Cc1cccc(C[N@@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)c1O ZINC000877720709 646836670 /nfs/dbraw/zinc/83/66/70/646836670.db2.gz VDQIRUDVDUTVCM-TXEJJXNPSA-N 1 1 274.320 0.747 20 10 CCCDMO Oc1c(F)cc(F)cc1C[NH2+][C@H]1C[C@@H](O)[C@@H](O)C1 ZINC000886251562 647937709 /nfs/dbraw/zinc/93/77/09/647937709.db2.gz GGLZPIZOJLIEFR-GUDFOSOFSA-N 1 1 259.252 0.644 20 10 CCCDMO CN1C(=O)CC[C@H]([NH2+]Cc2cccc(F)c2O)C1=O ZINC000158803452 649310953 /nfs/dbraw/zinc/31/09/53/649310953.db2.gz KGVVMPYSNBMMLD-JTQLQIEISA-N 1 1 266.272 0.768 20 10 CCCDMO NC(=O)c1[nH]nc2c1C[N@H+](Cc1ccccc1O)CC2 ZINC001277442200 805580118 /nfs/dbraw/zinc/58/01/18/805580118.db2.gz SUZUWPMQQMEACK-UHFFFAOYSA-N 1 1 272.308 0.773 20 10 CCCDMO NC(=O)c1[nH]nc2c1C[N@@H+](Cc1ccccc1O)CC2 ZINC001277442200 805580126 /nfs/dbraw/zinc/58/01/26/805580126.db2.gz SUZUWPMQQMEACK-UHFFFAOYSA-N 1 1 272.308 0.773 20 10 CCCDMO OC[C@H]1C[N@@H+](Cc2cc(F)ccc2O)CC[C@H]1O ZINC001140058079 790664473 /nfs/dbraw/zinc/66/44/73/790664473.db2.gz SDEAGOAGTPYJHD-ZWNOBZJWSA-N 1 1 255.289 0.706 20 10 CCCDMO COc1cc(C[N@H+]2C[C@@H]3CCNC(=O)[C@@H]3C2)c(O)cc1O ZINC001231637397 805824553 /nfs/dbraw/zinc/82/45/53/805824553.db2.gz LYIQIDGDRQIFHM-GXSJLCMTSA-N 1 1 292.335 0.674 20 10 CCCDMO CN(C)c1ccc(C[N@H+]2CC[C@H](CO)[C@H](O)C2)c(O)c1 ZINC001232836292 805986644 /nfs/dbraw/zinc/98/66/44/805986644.db2.gz MWNUXAYBBWPQAY-IUODEOHRSA-N 1 1 280.368 0.633 20 10 CCCDMO COC(=O)[C@H]1CC[N@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233010825 806005651 /nfs/dbraw/zinc/00/56/51/806005651.db2.gz UZTPXWPZKVGMCV-VIFPVBQESA-N 1 1 267.281 0.798 20 10 CCCDMO COC(=O)[C@H]1CC[N@@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233010825 806005661 /nfs/dbraw/zinc/00/56/61/806005661.db2.gz UZTPXWPZKVGMCV-VIFPVBQESA-N 1 1 267.281 0.798 20 10 CCCDMO O=C1CC[C@@H]2C[N@H+](Cc3cc(O)c(O)cc3O)CCN12 ZINC001233485624 806062884 /nfs/dbraw/zinc/06/28/84/806062884.db2.gz DOKKTSADKOIENT-SNVBAGLBSA-N 1 1 278.308 0.610 20 10 CCCDMO O=C1CC[C@@H]2C[N@@H+](Cc3cc(O)c(O)cc3O)CCN12 ZINC001233485624 806062894 /nfs/dbraw/zinc/06/28/94/806062894.db2.gz DOKKTSADKOIENT-SNVBAGLBSA-N 1 1 278.308 0.610 20 10 CCCDMO COC(=O)[C@@H]1C[N@H+](Cc2c(C)cc(C)cc2O)C[C@H]1N ZINC001236356763 806585227 /nfs/dbraw/zinc/58/52/27/806585227.db2.gz RPLLGEJGKYDMKS-CHWSQXEVSA-N 1 1 278.352 0.941 20 10 CCCDMO COC(=O)[C@@H]1C[N@@H+](Cc2c(C)cc(C)cc2O)C[C@H]1N ZINC001236356763 806585232 /nfs/dbraw/zinc/58/52/32/806585232.db2.gz RPLLGEJGKYDMKS-CHWSQXEVSA-N 1 1 278.352 0.941 20 10 CCCDMO COc1cc(O)c(C[N@@H+](C)C[C@H](O)CO)c(Cl)c1 ZINC001236796611 806610779 /nfs/dbraw/zinc/61/07/79/806610779.db2.gz WZJSPEMGDNAZCV-QMMMGPOBSA-N 1 1 275.732 0.839 20 10 CCCDMO COc1cc(C)c(C[N@@H+]2CCO[C@@H](C(N)=O)C2)c(O)c1 ZINC001236810097 806612216 /nfs/dbraw/zinc/61/22/16/806612216.db2.gz BQKHWNMQBMYVTH-CYBMUJFWSA-N 1 1 280.324 0.395 20 10 CCCDMO COc1cc(C)c(C[N@H+]2CCO[C@@H](C(N)=O)C2)c(O)c1 ZINC001236810097 806612219 /nfs/dbraw/zinc/61/22/19/806612219.db2.gz BQKHWNMQBMYVTH-CYBMUJFWSA-N 1 1 280.324 0.395 20 10 CCCDMO CCOc1ccc(C[N@H+]2C[C@H](O)[C@H](CO)C2)c(O)c1 ZINC001237046330 806633550 /nfs/dbraw/zinc/63/35/50/806633550.db2.gz AHQPLJHDHZOTRI-FZMZJTMJSA-N 1 1 267.325 0.576 20 10 CCCDMO OC[C@H]1CC[N@@H+](Cc2cc(F)ccc2O)C[C@H]1O ZINC001140057681 799878427 /nfs/dbraw/zinc/87/84/27/799878427.db2.gz KBNWGCXMTXCYTL-NOZJJQNGSA-N 1 1 255.289 0.706 20 10 CCCDMO Cc1ccc(O)c(C[N@H+]2CCN3C(=O)COC[C@@H]3C2)c1 ZINC001140623332 799926890 /nfs/dbraw/zinc/92/68/90/799926890.db2.gz NUKREDDHNXBOJA-ZDUSSCGKSA-N 1 1 276.336 0.744 20 10 CCCDMO Cc1c(O)ccc(C[N@H+]2CC[C@@H](O)[C@](C)(CO)C2)c1O ZINC001140744216 799937286 /nfs/dbraw/zinc/93/72/86/799937286.db2.gz PSWIKUXPZIFYEB-HIFRSBDPSA-N 1 1 281.352 0.971 20 10 CCCDMO CNC(=O)CC[N@@H+](C)Cc1c(O)cc(OC)cc1OC ZINC001141028133 799973865 /nfs/dbraw/zinc/97/38/65/799973865.db2.gz CEEVUIIJGMUGGW-UHFFFAOYSA-N 1 1 282.340 0.977 20 10 CCCDMO COc1cc(O)c(C[N@H+]2CC[C@H](O)[C@H](CO)C2)c(OC)c1 ZINC001141031889 799973880 /nfs/dbraw/zinc/97/38/80/799973880.db2.gz NMHTVKWUUUXTBL-GWCFXTLKSA-N 1 1 297.351 0.585 20 10 CCCDMO O=C1NCC[C@]12CC[N@H+](Cc1cc(O)ccc1O)C2 ZINC001141157858 799984541 /nfs/dbraw/zinc/98/45/41/799984541.db2.gz NPEUTBIYNKWEOF-CQSZACIVSA-N 1 1 262.309 0.810 20 10 CCCDMO C[N@@H+](CCN1CCOCC1)Cc1cc(O)ccc1O ZINC001141155759 799985698 /nfs/dbraw/zinc/98/56/98/799985698.db2.gz IZGVBFIAYCCUEG-UHFFFAOYSA-N 1 1 266.341 0.862 20 10 CCCDMO [NH3+][C@@H](Cc1c[nH]cn1)C(=O)N1CCc2cccc(O)c2C1 ZINC001160872024 802036390 /nfs/dbraw/zinc/03/63/90/802036390.db2.gz GFIWYUZIQJLYHH-ZDUSSCGKSA-N 1 1 286.335 0.570 20 10 CCCDMO CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(O)cc2O)C1 ZINC001204277385 803077245 /nfs/dbraw/zinc/07/72/45/803077245.db2.gz CEBNYWCFOTZARS-LLVKDONJSA-N 1 1 250.298 0.808 20 10 CCCDMO COc1cc(C[N@@H+]2CC[C@H](CO)[C@@H](O)C2)cc(O)c1O ZINC001204344181 803079450 /nfs/dbraw/zinc/07/94/50/803079450.db2.gz VSTUXQLJBZLELW-PWSUYJOCSA-N 1 1 283.324 0.282 20 10 CCCDMO COc1cc(C[N@H+]2CC[C@H](CO)[C@@H](O)C2)cc(O)c1O ZINC001204344181 803079454 /nfs/dbraw/zinc/07/94/54/803079454.db2.gz VSTUXQLJBZLELW-PWSUYJOCSA-N 1 1 283.324 0.282 20 10 CCCDMO Oc1cccc2c1C[N@@H+](C[C@H](O)CN1CCOCC1)CC2 ZINC001251020068 807642598 /nfs/dbraw/zinc/64/25/98/807642598.db2.gz CLZUVJRECYDMEB-CQSZACIVSA-N 1 1 292.379 0.443 20 10 CCCDMO O=C1NCC[C@H]2C[N@H+](Cc3cc(O)ccc3O)C[C@@H]12 ZINC001141159134 811822401 /nfs/dbraw/zinc/82/24/01/811822401.db2.gz AKQXUNSLQGZYQL-JOYOIKCWSA-N 1 1 262.309 0.666 20 10 CCCDMO Cc1cc(Br)c(O)c(C[NH2+]C[C@H](O)CO)c1 ZINC000393830001 811903487 /nfs/dbraw/zinc/90/34/87/811903487.db2.gz UVUPWLSYXUPHBM-VIFPVBQESA-N 1 1 290.157 0.906 20 10 CCCDMO COc1ccc(C[N@H+]2CC[C@H](O)[C@@H](CO)C2)c(O)c1 ZINC001203620452 844436244 /nfs/dbraw/zinc/43/62/44/844436244.db2.gz FXSYQTRYXIMYHQ-YPMHNXCESA-N 1 1 267.325 0.576 20 10 CCCDMO COc1ccc(C[N@H+]2CC[C@@](C)(CO)[C@H](O)C2)c(O)c1 ZINC001203620984 844437715 /nfs/dbraw/zinc/43/77/15/844437715.db2.gz LXZWTRHQSDVESB-CABCVRRESA-N 1 1 281.352 0.966 20 10 CCCDMO C[C@H]1C(=O)N(C)CC[N@H+]1Cc1c(O)cc(O)cc1O ZINC001144514430 840072144 /nfs/dbraw/zinc/07/21/44/840072144.db2.gz CZGYCBLLCNXSQQ-QMMMGPOBSA-N 1 1 266.297 0.466 20 10 CCCDMO C[C@H]1C(=O)N(C)CC[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144514430 840072154 /nfs/dbraw/zinc/07/21/54/840072154.db2.gz CZGYCBLLCNXSQQ-QMMMGPOBSA-N 1 1 266.297 0.466 20 10 CCCDMO CN1CC[C@H]2C[N@@H+](Cc3c(O)cc(O)cc3O)C[C@H]21 ZINC001144514881 840073757 /nfs/dbraw/zinc/07/37/57/840073757.db2.gz WEVYZJAUHLXQGA-JOYOIKCWSA-N 1 1 264.325 0.939 20 10 CCCDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1c(O)cc(O)cc1O ZINC001144514868 840075889 /nfs/dbraw/zinc/07/58/89/840075889.db2.gz VPDRGTWPOCQPDE-NSHDSACASA-N 1 1 280.324 0.856 20 10 CCCDMO COC(=O)C[C@@H]1C[N@H+](Cc2c(O)cc(O)cc2O)CCO1 ZINC001144514563 840075987 /nfs/dbraw/zinc/07/59/87/840075987.db2.gz KRVNQAQOZVSBQD-SNVBAGLBSA-N 1 1 297.307 0.567 20 10 CCCDMO COC(=O)C[C@@H]1C[N@@H+](Cc2c(O)cc(O)cc2O)CCO1 ZINC001144514563 840075991 /nfs/dbraw/zinc/07/59/91/840075991.db2.gz KRVNQAQOZVSBQD-SNVBAGLBSA-N 1 1 297.307 0.567 20 10 CCCDMO O=C1NC[C@@H]2CC[N@H+](Cc3ccc(O)cc3O)C[C@H]12 ZINC001204279117 843271468 /nfs/dbraw/zinc/27/14/68/843271468.db2.gz RCZBVQKLXQHKOX-CABZTGNLSA-N 1 1 262.309 0.666 20 10 CCCDMO COC(=O)[C@H]1C[N@H+](Cc2ccc(O)cc2O)CCN1C ZINC001204280482 843290835 /nfs/dbraw/zinc/29/08/35/843290835.db2.gz KGBRNTPMRCGDNA-GFCCVEGCSA-N 1 1 280.324 0.387 20 10 CCCDMO COC(=O)[C@H]1C[N@@H+](Cc2ccc(O)cc2O)CCN1C ZINC001204280482 843290848 /nfs/dbraw/zinc/29/08/48/843290848.db2.gz KGBRNTPMRCGDNA-GFCCVEGCSA-N 1 1 280.324 0.387 20 10 CCCDMO CC[C@H]([NH3+])C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC001353147989 925741934 /nfs/dbraw/zinc/74/19/34/925741934.db2.gz VVOYVZVSZIQTHN-HNNXBMFYSA-N 1 1 290.411 0.792 20 10 CCCDMO