smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000756106721 576977427 /nfs/dbraw/zinc/97/74/27/576977427.db2.gz MKKJNZXDIXOBBS-RISCZKNCSA-N 2 2 265.376 1.931 10 10 CDCELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000756106721 576977428 /nfs/dbraw/zinc/97/74/28/576977428.db2.gz MKKJNZXDIXOBBS-RISCZKNCSA-N 2 2 265.376 1.931 10 10 CDCELP C[C@@H](C[NH3+])[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000843051771 678159374 /nfs/dbraw/zinc/15/93/74/678159374.db2.gz LNILWQGOAJTMBM-ZDUSSCGKSA-N 2 2 263.385 1.302 10 10 CDCELP C[C@@H](C[NH3+])[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000843051771 678159375 /nfs/dbraw/zinc/15/93/75/678159375.db2.gz LNILWQGOAJTMBM-ZDUSSCGKSA-N 2 2 263.385 1.302 10 10 CDCELP CCOc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H]2C)c(O)c1 ZINC000841025063 678301837 /nfs/dbraw/zinc/30/18/37/678301837.db2.gz ZSUPRFGSXBEQRV-GWCFXTLKSA-N 2 2 250.342 1.712 10 10 CDCELP CCOc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H]2C)c(O)c1 ZINC000841025063 678301838 /nfs/dbraw/zinc/30/18/38/678301838.db2.gz ZSUPRFGSXBEQRV-GWCFXTLKSA-N 2 2 250.342 1.712 10 10 CDCELP COc1cccc(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)c1O ZINC000841059053 678552774 /nfs/dbraw/zinc/55/27/74/678552774.db2.gz KVLNMUCVNULAPG-ZYHUDNBSSA-N 2 2 250.342 1.488 10 10 CDCELP c1cc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)cc2c1OCC2 ZINC000530176070 368147093 /nfs/dbraw/zinc/14/70/93/368147093.db2.gz AYTXAOQBEBLCJV-OAHLLOKOSA-N 2 2 258.365 1.996 10 10 CDCELP Cc1cc(O)c(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c(Cl)c1 ZINC000840940053 679756182 /nfs/dbraw/zinc/75/61/82/679756182.db2.gz UVBJDKIWDQHYHL-AWEZNQCLSA-N 2 2 284.787 1.510 10 10 CDCELP Cc1cc(O)c(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c(Cl)c1 ZINC000840940053 679756183 /nfs/dbraw/zinc/75/61/83/679756183.db2.gz UVBJDKIWDQHYHL-AWEZNQCLSA-N 2 2 284.787 1.510 10 10 CDCELP COc1cccc(C[NH2+]C[C@@H]2CCC[N@@H+]2C)c1O ZINC000227440211 359822051 /nfs/dbraw/zinc/82/20/51/359822051.db2.gz YBRZBYILDSSLGP-LBPRGKRZSA-N 2 2 250.342 1.585 10 10 CDCELP COc1cccc(C[NH2+]C[C@@H]2CCC[N@H+]2C)c1O ZINC000227440211 359822054 /nfs/dbraw/zinc/82/20/54/359822054.db2.gz YBRZBYILDSSLGP-LBPRGKRZSA-N 2 2 250.342 1.585 10 10 CDCELP [NH3+]CC[C@H]([NH3+])c1ccc(F)c(Br)c1O ZINC000306959100 364639590 /nfs/dbraw/zinc/63/95/90/364639590.db2.gz XADUAZDOVPETLE-ZETCQYMHSA-N 2 2 263.110 1.642 10 10 CDCELP C[C@@H]([NH2+]CC[NH+]1CCCC1)c1ccc(O)cc1O ZINC000020126855 171012324 /nfs/dbraw/zinc/01/23/24/171012324.db2.gz XSZHLPHYDRDMPP-LLVKDONJSA-N 2 2 250.342 1.844 10 10 CDCELP Oc1c(F)cccc1C[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252783896 334392798 /nfs/dbraw/zinc/39/27/98/334392798.db2.gz XATLQAJHGYNRGK-STQMWFEESA-N 2 2 280.343 1.484 10 10 CDCELP Oc1c(F)cccc1C[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252783896 334392800 /nfs/dbraw/zinc/39/28/00/334392800.db2.gz XATLQAJHGYNRGK-STQMWFEESA-N 2 2 280.343 1.484 10 10 CDCELP COc1ccc(O)c(C[N@H+](C)[C@H]2C[NH+]3CCC2CC3)c1 ZINC000312907657 694702702 /nfs/dbraw/zinc/70/27/02/694702702.db2.gz KFJSEGIGMKKUTO-HNNXBMFYSA-N 2 2 276.380 1.927 10 10 CDCELP COc1ccc(O)c(C[N@@H+](C)[C@H]2C[NH+]3CCC2CC3)c1 ZINC000312907657 694702704 /nfs/dbraw/zinc/70/27/04/694702704.db2.gz KFJSEGIGMKKUTO-HNNXBMFYSA-N 2 2 276.380 1.927 10 10 CDCELP CCO[C@@H]1C[N@H+](Cc2cccc(F)c2O)C[C@H]1C[NH3+] ZINC000844904138 723742893 /nfs/dbraw/zinc/74/28/93/723742893.db2.gz ZVQAIVKHDKRKPI-DGCLKSJQSA-N 2 2 268.332 1.327 10 10 CDCELP CCO[C@@H]1C[N@@H+](Cc2cccc(F)c2O)C[C@H]1C[NH3+] ZINC000844904138 723742895 /nfs/dbraw/zinc/74/28/95/723742895.db2.gz ZVQAIVKHDKRKPI-DGCLKSJQSA-N 2 2 268.332 1.327 10 10 CDCELP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)[C@H](C)[NH3+] ZINC001345104209 964576822 /nfs/dbraw/zinc/57/68/22/964576822.db2.gz LGLUWNYCKAKXNU-QWHCGFSZSA-N 3 2 294.418 1.403 10 10 CDCELP Cn1cc[nH+]c1C1=C[C@H]([NH3+])CN(C(=O)OC(C)(C)C)C1 ZINC000675077799 539085477 /nfs/dbraw/zinc/08/54/77/539085477.db2.gz IVPQOPTUXBNCKX-NSHDSACASA-N 2 2 278.356 1.382 10 10 CDCELP COc1ccc(O)c(C[NH2+][C@@H]2CCCC[NH2+]C2)c1 ZINC000841089951 726349903 /nfs/dbraw/zinc/34/99/03/726349903.db2.gz LUTKVYKTVMXVFB-GFCCVEGCSA-N 2 2 250.342 1.633 10 10 CDCELP Oc1cc2c(cc1C[NH2+][C@H]1CCCC[NH2+]C1)OCO2 ZINC000841091328 936975385 /nfs/dbraw/zinc/97/53/85/936975385.db2.gz VDFAHCIJJVAYDR-NSHDSACASA-N 2 2 264.325 1.353 10 10 CDCELP [NH3+]CC[C@@H]([NH3+])c1cc(F)cc(Br)c1O ZINC000306789783 375125368 /nfs/dbraw/zinc/12/53/68/375125368.db2.gz XZZUJQFBYXPQBV-MRVPVSSYSA-N 2 2 263.110 1.642 10 10 CDCELP COc1cc(O)c(C[NH2+][C@H]2CC[NH2+]C23CCC3)cc1OC ZINC000530177894 333526984 /nfs/dbraw/zinc/52/69/84/333526984.db2.gz JUIYSCDYZUZABT-HNNXBMFYSA-N 2 2 292.379 1.784 10 10 CDCELP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@H](C)[NH3+] ZINC000841076736 728883715 /nfs/dbraw/zinc/88/37/15/728883715.db2.gz NRTSRYZAETYFJB-UONOGXRCSA-N 3 2 276.428 1.264 10 10 CDCELP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000841058446 729278711 /nfs/dbraw/zinc/27/87/11/729278711.db2.gz HDOYRXVOFVLJRO-ONGXEEELSA-N 2 2 264.325 1.209 10 10 CDCELP COc1c(O)c(C[NH2+][C@@H](C)[C@@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000841076527 729883286 /nfs/dbraw/zinc/88/32/86/729883286.db2.gz HXQBRMXURCTPDJ-SFYZADRCSA-N 2 2 269.301 1.134 10 10 CDCELP Cc1cc(O)c(C[NH2+]C[C@@](C)(O)C[NH+](C)C)c(Cl)c1 ZINC000840907779 729969636 /nfs/dbraw/zinc/96/96/36/729969636.db2.gz QNAODQNDACOUHW-CQSZACIVSA-N 2 2 286.803 1.756 10 10 CDCELP Cc1cc(O)c(C[NH2+]C[C@H](O)C[NH+]2CCCC2)c(Cl)c1 ZINC000840884235 617528987 /nfs/dbraw/zinc/52/89/87/617528987.db2.gz KULGFHYQDHWICM-LBPRGKRZSA-N 2 2 298.814 1.900 10 10 CDCELP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1cccc(Br)c1O ZINC000841080125 730548347 /nfs/dbraw/zinc/54/83/47/730548347.db2.gz NFZOHAGRIDASHO-SFYZADRCSA-N 2 2 273.174 1.980 10 10 CDCELP Cc1cc(C[N@@H+]2CC3CC2(C[NH3+])C3)ccc1N(C)C ZINC000923390193 732406404 /nfs/dbraw/zinc/40/64/04/732406404.db2.gz HSONXMUPTVVRKX-UHFFFAOYSA-N 2 2 259.397 1.984 10 10 CDCELP Cc1cc(C[N@H+]2CC3CC2(C[NH3+])C3)ccc1N(C)C ZINC000923390193 732406411 /nfs/dbraw/zinc/40/64/11/732406411.db2.gz HSONXMUPTVVRKX-UHFFFAOYSA-N 2 2 259.397 1.984 10 10 CDCELP CCC[N@@H+](Cc1ccccc1O)C[C@@H]1C[NH2+]CCO1 ZINC000852745102 733586622 /nfs/dbraw/zinc/58/66/22/733586622.db2.gz OWLIOWVENCRIPP-AWEZNQCLSA-N 2 2 264.369 1.593 10 10 CDCELP CCC[N@H+](Cc1ccccc1O)C[C@@H]1C[NH2+]CCO1 ZINC000852745102 733586626 /nfs/dbraw/zinc/58/66/26/733586626.db2.gz OWLIOWVENCRIPP-AWEZNQCLSA-N 2 2 264.369 1.593 10 10 CDCELP Oc1ccc(F)cc1C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000817865978 735228675 /nfs/dbraw/zinc/22/86/75/735228675.db2.gz QPMIMXNOKZRAQX-UHFFFAOYSA-N 2 2 250.317 1.859 10 10 CDCELP Cc1nc(N2CC[NH+](Cc3ccccc3O)CC2)cc[nH+]1 ZINC000184765248 262028984 /nfs/dbraw/zinc/02/89/84/262028984.db2.gz QTLPPNBGNCWMNR-UHFFFAOYSA-N 2 2 284.363 1.813 10 10 CDCELP [NH3+]Cc1cc(F)c(N2CCn3cc[nH+]c3C2)c(F)c1 ZINC000062719398 527248607 /nfs/dbraw/zinc/24/86/07/527248607.db2.gz OFDWVZFMXGHXEB-UHFFFAOYSA-N 2 2 264.279 1.640 10 10 CDCELP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000841076737 741332622 /nfs/dbraw/zinc/33/26/22/741332622.db2.gz NRTSRYZAETYFJB-ZIAGYGMSSA-N 3 2 276.428 1.264 10 10 CDCELP Oc1cccc(Cl)c1C[NH2+]CC12CC(C1)C[NH2+]2 ZINC000853245985 741686637 /nfs/dbraw/zinc/68/66/37/741686637.db2.gz FRYXDLDPZYQURN-UHFFFAOYSA-N 2 2 252.745 1.887 10 10 CDCELP Cn1cc[nH+]c1C1=C[C@@H]([NH3+])CN(C(=O)OC(C)(C)C)C1 ZINC000675077788 539085600 /nfs/dbraw/zinc/08/56/00/539085600.db2.gz IVPQOPTUXBNCKX-LLVKDONJSA-N 2 2 278.356 1.382 10 10 CDCELP COc1cccc(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)c1O ZINC000841059052 749881984 /nfs/dbraw/zinc/88/19/84/749881984.db2.gz KVLNMUCVNULAPG-PWSUYJOCSA-N 2 2 250.342 1.488 10 10 CDCELP CCOc1cccc(C[N@@H+]2CCC[C@H]2C[NH3+])c1O ZINC000131348502 751008258 /nfs/dbraw/zinc/00/82/58/751008258.db2.gz RCHBNJMJEGVSDN-LBPRGKRZSA-N 2 2 250.342 1.714 10 10 CDCELP CCOc1cccc(C[N@H+]2CCC[C@H]2C[NH3+])c1O ZINC000131348502 751008268 /nfs/dbraw/zinc/00/82/68/751008268.db2.gz RCHBNJMJEGVSDN-LBPRGKRZSA-N 2 2 250.342 1.714 10 10 CDCELP COc1cccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)c1O ZINC000841059050 755804299 /nfs/dbraw/zinc/80/42/99/755804299.db2.gz KVLNMUCVNULAPG-CMPLNLGQSA-N 2 2 250.342 1.488 10 10 CDCELP C[N@H+](CC(=O)Nc1ccc(N)cc1)C1CC[NH+](C)CC1 ZINC000022211749 171374102 /nfs/dbraw/zinc/37/41/02/171374102.db2.gz RZMNQRBDTPVNQZ-UHFFFAOYSA-N 2 2 276.384 1.233 10 10 CDCELP C[N@@H+](CC(=O)Nc1ccc(N)cc1)C1CC[NH+](C)CC1 ZINC000022211749 171374103 /nfs/dbraw/zinc/37/41/03/171374103.db2.gz RZMNQRBDTPVNQZ-UHFFFAOYSA-N 2 2 276.384 1.233 10 10 CDCELP C[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1cc(F)cc(F)c1O ZINC000925812846 617756469 /nfs/dbraw/zinc/75/64/69/617756469.db2.gz PTFCAGKFAYHXEU-SNVBAGLBSA-N 2 2 299.365 1.744 10 10 CDCELP CCO[C@@H](C[NH2+][C@@H]1CCc2cccc(O)c21)C[NH+](C)C ZINC000926963502 621634116 /nfs/dbraw/zinc/63/41/16/621634116.db2.gz UOUDIGXRFLFCEA-UONOGXRCSA-N 2 2 278.396 1.936 10 10 CDCELP [NH3+]C[C@@H]1CCCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000843047777 779546107 /nfs/dbraw/zinc/54/61/07/779546107.db2.gz UJXJEDQAZUUOFN-KRWDZBQOSA-N 2 2 289.423 1.836 10 10 CDCELP COc1ccc(O)c(C[NH2+][C@H]2CC[NH2+]C23CCC3)c1 ZINC000530179221 368146530 /nfs/dbraw/zinc/14/65/30/368146530.db2.gz WDLSOKYCFMWFOP-AWEZNQCLSA-N 2 2 262.353 1.775 10 10 CDCELP COc1ccc(O)c(C[N@H+](C)[C@@H]2C[NH+]3CCC2CC3)c1 ZINC000312907664 913276877 /nfs/dbraw/zinc/27/68/77/913276877.db2.gz KFJSEGIGMKKUTO-OAHLLOKOSA-N 2 2 276.380 1.927 10 10 CDCELP COc1ccc(O)c(C[N@@H+](C)[C@@H]2C[NH+]3CCC2CC3)c1 ZINC000312907664 913276893 /nfs/dbraw/zinc/27/68/93/913276893.db2.gz KFJSEGIGMKKUTO-OAHLLOKOSA-N 2 2 276.380 1.927 10 10 CDCELP Cc1cc(O)c(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c(Cl)c1 ZINC000841080862 936974725 /nfs/dbraw/zinc/97/47/25/936974725.db2.gz RDHMXKBUMCTJAY-WOFXILAISA-N 2 2 252.745 1.661 10 10 CDCELP c1cc(N2CCOCC2)ccc1C[NH2+]CC12CC(C1)C[NH2+]2 ZINC000853247105 927991438 /nfs/dbraw/zinc/99/14/38/927991438.db2.gz CINLKPBDZPGOIF-UHFFFAOYSA-N 2 2 287.407 1.365 10 10 CDCELP [NH3+]C1(C[NH2+]Cc2cc(Cl)cc(F)c2O)CCOCC1 ZINC000863482283 929557820 /nfs/dbraw/zinc/55/78/20/929557820.db2.gz XWKWOKRFPIODDI-UHFFFAOYSA-N 2 2 288.750 1.782 10 10 CDCELP COc1cc(O)c(C[NH2+][C@H]2CC[C@H](C)[NH2+]C2)cc1OC ZINC000863485300 786934227 /nfs/dbraw/zinc/93/42/27/786934227.db2.gz YNYNMIDRQVDQFM-JQWIXIFHSA-N 2 2 280.368 1.640 10 10 CDCELP COc1c(O)c(C[NH2+][C@@H](C)[C@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000841076528 789069563 /nfs/dbraw/zinc/06/95/63/789069563.db2.gz HXQBRMXURCTPDJ-YUMQZZPRSA-N 2 2 269.301 1.134 10 10 CDCELP Cc1cc(C[N@@H+]2CCC[C@]([NH3+])(CO)C2)ccc1N(C)C ZINC000923470796 923850259 /nfs/dbraw/zinc/85/02/59/923850259.db2.gz BJBXZYOSULOQIB-MRXNPFEDSA-N 2 2 277.412 1.347 10 10 CDCELP Cc1cc(C[N@H+]2CCC[C@]([NH3+])(CO)C2)ccc1N(C)C ZINC000923470796 923850270 /nfs/dbraw/zinc/85/02/70/923850270.db2.gz BJBXZYOSULOQIB-MRXNPFEDSA-N 2 2 277.412 1.347 10 10 CDCELP COc1ccc(N2CC[C@H]([NH2+][C@@H]3C[NH2+]CC[C@H]3C)C2)cc1 ZINC000854216915 928171173 /nfs/dbraw/zinc/17/11/73/928171173.db2.gz HEAFKWNJPYVORK-JKIFEVAISA-N 2 2 289.423 1.862 10 10 CDCELP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001345104208 964576921 /nfs/dbraw/zinc/57/69/21/964576921.db2.gz LGLUWNYCKAKXNU-OLZOCXBDSA-N 3 2 294.418 1.403 10 10 CDCELP CN(C)c1ccc(C[NH2+][C@H]2C[NH+]3CCC2CC3)cc1 ZINC000019945987 170936713 /nfs/dbraw/zinc/93/67/13/170936713.db2.gz URKVUIOAPHKEHV-INIZCTEOSA-N 2 2 259.397 1.936 10 10 CDCELP COc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2C[NH3+])c1 ZINC000044540375 790739601 /nfs/dbraw/zinc/73/96/01/790739601.db2.gz ZNHVJDAOCYRYCC-GFCCVEGCSA-N 2 2 250.342 1.714 10 10 CDCELP COc1ccc(O)c(C[N@H+]2CCCC[C@@H]2C[NH3+])c1 ZINC000044540375 790739624 /nfs/dbraw/zinc/73/96/24/790739624.db2.gz ZNHVJDAOCYRYCC-GFCCVEGCSA-N 2 2 250.342 1.714 10 10 CDCELP C[N@@H+](Cc1cccc(F)c1O)C[C@H]1CC[NH+](C)C1 ZINC000160236269 264237051 /nfs/dbraw/zinc/23/70/51/264237051.db2.gz VWLFKJLEMZMUQF-NSHDSACASA-N 2 2 252.333 1.915 10 10 CDCELP C[N@H+](Cc1cccc(F)c1O)C[C@H]1CC[NH+](C)C1 ZINC000160236269 264237054 /nfs/dbraw/zinc/23/70/54/264237054.db2.gz VWLFKJLEMZMUQF-NSHDSACASA-N 2 2 252.333 1.915 10 10 CDCELP C[NH+](Cc1cccc(F)c1O)C[C@H]1CC[N@H+](C)C1 ZINC000160236269 264237055 /nfs/dbraw/zinc/23/70/55/264237055.db2.gz VWLFKJLEMZMUQF-NSHDSACASA-N 2 2 252.333 1.915 10 10 CDCELP C[NH+](Cc1cccc(F)c1O)C[C@H]1CC[N@@H+](C)C1 ZINC000160236269 264237058 /nfs/dbraw/zinc/23/70/58/264237058.db2.gz VWLFKJLEMZMUQF-NSHDSACASA-N 2 2 252.333 1.915 10 10 CDCELP CCOc1cccc(C[N@@H+]2C[C@H](C)[C@H]([NH3+])C2)c1O ZINC000300083009 796928348 /nfs/dbraw/zinc/92/83/48/796928348.db2.gz FMRZQGQZNJYLHH-CMPLNLGQSA-N 2 2 250.342 1.570 10 10 CDCELP CCOc1cccc(C[N@H+]2C[C@H](C)[C@H]([NH3+])C2)c1O ZINC000300083009 796928356 /nfs/dbraw/zinc/92/83/56/796928356.db2.gz FMRZQGQZNJYLHH-CMPLNLGQSA-N 2 2 250.342 1.570 10 10 CDCELP COC[C@H](C)C[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841045840 936972722 /nfs/dbraw/zinc/97/27/22/936972722.db2.gz RHXPBNIZFRTAKC-DOMZBBRYSA-N 2 2 265.401 1.625 10 10 CDCELP COc1cccc(O)c1C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000863482396 929558691 /nfs/dbraw/zinc/55/86/91/929558691.db2.gz HCHZZUCOBXPVNY-CQSZACIVSA-N 2 2 262.353 1.775 10 10 CDCELP Cc1cc(O)c(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)c(Cl)c1 ZINC000840884232 617529020 /nfs/dbraw/zinc/52/90/20/617529020.db2.gz KULGFHYQDHWICM-GFCCVEGCSA-N 2 2 298.814 1.900 10 10 CDCELP CCOc1cccc(C[NH2+][C@@H]2C[NH2+]C[C@H]2C)c1O ZINC000903960362 626160355 /nfs/dbraw/zinc/16/03/55/626160355.db2.gz GPOTUOBGWSFMGZ-ZYHUDNBSSA-N 2 2 250.342 1.488 10 10 CDCELP COc1cccc(C[N@@H+]2CCCC[C@@H]2C[NH3+])c1O ZINC000044539613 630548506 /nfs/dbraw/zinc/54/85/06/630548506.db2.gz SHQYMIOIKMFYSU-GFCCVEGCSA-N 2 2 250.342 1.714 10 10 CDCELP COc1cccc(C[N@H+]2CCCC[C@@H]2C[NH3+])c1O ZINC000044539613 630548511 /nfs/dbraw/zinc/54/85/11/630548511.db2.gz SHQYMIOIKMFYSU-GFCCVEGCSA-N 2 2 250.342 1.714 10 10 CDCELP c1cc(C[NH2+][C@]23CCC[C@H]2[NH2+]CC3)cc2c1OCC2 ZINC000873230777 1165527850 /nfs/dbraw/zinc/52/78/50/1165527850.db2.gz YAFQOUHVJKFLII-CVEARBPZSA-N 2 2 258.365 1.996 10 10 CDCELP C[NH2+]C1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000843049421 811354347 /nfs/dbraw/zinc/35/43/47/811354347.db2.gz NOQRPQJNGIBOCI-UHFFFAOYSA-N 2 2 264.325 1.305 10 10 CDCELP COc1cccc(C[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)c1O ZINC000863484896 818364891 /nfs/dbraw/zinc/36/48/91/818364891.db2.gz PIHJPBPOJQQUTR-PWSUYJOCSA-N 2 2 250.342 1.631 10 10 CDCELP COc1ccc(N2CC[C@H]([NH2+][C@H]3C[NH2+]CC[C@H]3C)C2)cc1 ZINC000854216916 819290177 /nfs/dbraw/zinc/29/01/77/819290177.db2.gz HEAFKWNJPYVORK-KEYYUXOJSA-N 2 2 289.423 1.862 10 10 CDCELP CCOc1cccc(C[NH2+][C@@H]2CC[NH2+][C@H]2C)c1O ZINC000863487222 820040035 /nfs/dbraw/zinc/04/00/35/820040035.db2.gz LLQQHJZQLWAWFB-CMPLNLGQSA-N 2 2 250.342 1.631 10 10 CDCELP Oc1cc2c(cc1C[NH2+][C@@H]1CC[NH2+]C13CCCC3)OCO2 ZINC000843127215 822369035 /nfs/dbraw/zinc/36/90/35/822369035.db2.gz CBQBNBCXZVRJGQ-OAHLLOKOSA-N 2 2 290.363 1.885 10 10 CDCELP c1cc2c(cc1C[NH2+]CC13CC(C1)C[NH2+]3)CCCO2 ZINC000904378289 626275628 /nfs/dbraw/zinc/27/56/28/626275628.db2.gz AAYUIBVKEFNKAK-UHFFFAOYSA-N 2 2 258.365 1.853 10 10 CDCELP Oc1c(F)cccc1C[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903954229 626166679 /nfs/dbraw/zinc/16/66/79/626166679.db2.gz AWORZEFZNLWCIN-JTQLQIEISA-N 2 2 274.286 1.866 10 10 CDCELP C[NH2+]CC[N@H+](Cc1ccc(N2CCOCC2)cc1)C(C)C ZINC000923433110 840053557 /nfs/dbraw/zinc/05/35/57/840053557.db2.gz NLFJFAJIFZMKSZ-UHFFFAOYSA-N 2 2 291.439 1.953 10 10 CDCELP C[NH2+]CC[N@@H+](Cc1ccc(N2CCOCC2)cc1)C(C)C ZINC000923433110 840053573 /nfs/dbraw/zinc/05/35/73/840053573.db2.gz NLFJFAJIFZMKSZ-UHFFFAOYSA-N 2 2 291.439 1.953 10 10 CDCELP C[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000863487211 842242683 /nfs/dbraw/zinc/24/26/83/842242683.db2.gz LDEFSFDBZCQSOK-XJKSGUPXSA-N 2 2 275.396 1.363 10 10 CDCELP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000756106724 576977562 /nfs/dbraw/zinc/97/75/62/576977562.db2.gz MKKJNZXDIXOBBS-SMDDNHRTSA-N 2 2 265.376 1.931 10 10 CDCELP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000756106724 576977564 /nfs/dbraw/zinc/97/75/64/576977564.db2.gz MKKJNZXDIXOBBS-SMDDNHRTSA-N 2 2 265.376 1.931 10 10 CDCELP COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2C)c1 ZINC000863545944 844886778 /nfs/dbraw/zinc/88/67/78/844886778.db2.gz BUUNODYMEQLPRE-GBIKHYSHSA-N 2 2 278.352 1.580 10 10 CDCELP COc1cc(Cl)cc(C[NH2+]CC23CC(C2)C[NH2+]3)c1O ZINC000853246710 697851505 /nfs/dbraw/zinc/85/15/05/697851505.db2.gz QJBMYFJJEFVIKX-UHFFFAOYSA-N 2 2 282.771 1.896 10 10 CDCELP c1cc(N2CCOCC2)ccc1C[NH2+][C@H]1CCCC[NH2+]C1 ZINC000841089533 850393693 /nfs/dbraw/zinc/39/36/93/850393693.db2.gz IBSDPBJRMDXTIB-INIZCTEOSA-N 2 2 289.423 1.755 10 10 CDCELP CCOc1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)c(O)c1 ZINC000841059527 621608613 /nfs/dbraw/zinc/60/86/13/621608613.db2.gz TZEWEDAERRXRIC-SMDDNHRTSA-N 2 2 264.369 1.879 10 10 CDCELP C[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1cc(F)ccc1O ZINC000854227354 705766581 /nfs/dbraw/zinc/76/65/81/705766581.db2.gz MQTCKBPDVWXJEO-NAUIOFCNSA-N 2 2 250.317 1.934 10 10 CDCELP COc1cccc(C[N@H+](C)[C@H]2C[NH+]3CCC2CC3)c1O ZINC000380616252 706049520 /nfs/dbraw/zinc/04/95/20/706049520.db2.gz GJZDSYJONVPZAK-AWEZNQCLSA-N 2 2 276.380 1.927 10 10 CDCELP COc1cccc(C[N@@H+](C)[C@H]2C[NH+]3CCC2CC3)c1O ZINC000380616252 706049523 /nfs/dbraw/zinc/04/95/23/706049523.db2.gz GJZDSYJONVPZAK-AWEZNQCLSA-N 2 2 276.380 1.927 10 10 CDCELP COc1cccc(C[N@@H+]2C[C@@H]([NH3+])C(C)(C)C2)c1O ZINC000720767724 709592581 /nfs/dbraw/zinc/59/25/81/709592581.db2.gz KMGXZCBEPXMBDA-GFCCVEGCSA-N 2 2 250.342 1.570 10 10 CDCELP COc1cccc(C[N@H+]2C[C@@H]([NH3+])C(C)(C)C2)c1O ZINC000720767724 709592617 /nfs/dbraw/zinc/59/26/17/709592617.db2.gz KMGXZCBEPXMBDA-GFCCVEGCSA-N 2 2 250.342 1.570 10 10 CDCELP CC[N@@H+]1CCO[C@@H](C[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000069658909 378488578 /nfs/dbraw/zinc/48/85/78/378488578.db2.gz YPBOIHDXFDCTRW-HNNXBMFYSA-N 2 2 276.380 1.432 10 10 CDCELP CC[N@H+]1CCO[C@@H](C[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000069658909 378488584 /nfs/dbraw/zinc/48/85/84/378488584.db2.gz YPBOIHDXFDCTRW-HNNXBMFYSA-N 2 2 276.380 1.432 10 10 CDCELP CC1(C)C[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@H]1[NH3+] ZINC000903984588 626173553 /nfs/dbraw/zinc/17/35/53/626173553.db2.gz LKLAZEQKPPZBPP-MRXNPFEDSA-N 2 2 289.423 1.692 10 10 CDCELP CC1(C)C[N@@H+](Cc2ccc(N3CCOCC3)cc2)C[C@H]1[NH3+] ZINC000903984588 626173554 /nfs/dbraw/zinc/17/35/54/626173554.db2.gz LKLAZEQKPPZBPP-MRXNPFEDSA-N 2 2 289.423 1.692 10 10 CDCELP C[C@@H]([NH2+]CC[NH+]1CCCC1)c1cc(O)ccc1O ZINC000020126886 171011756 /nfs/dbraw/zinc/01/17/56/171011756.db2.gz GPMMIIPHIJDYGT-LLVKDONJSA-N 2 2 250.342 1.844 10 10 CDCELP C[C@@H]1C[NH2+]C[C@H]1[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000903964295 626171431 /nfs/dbraw/zinc/17/14/31/626171431.db2.gz IEUCQQIQVFYNHG-WSXGPOFGSA-N 2 2 259.397 1.963 10 10 CDCELP C[N@H+](Cc1cc[nH]n1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775690094 924833363 /nfs/dbraw/zinc/83/33/63/924833363.db2.gz BURYQRXCKWXNBH-UHFFFAOYSA-N 2 2 299.422 1.794 10 10 CDCELP CCOc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H]2C)c(O)c1 ZINC000863487571 929558713 /nfs/dbraw/zinc/55/87/13/929558713.db2.gz SEXSQHOUIXLOAK-GXFFZTMASA-N 2 2 250.342 1.631 10 10 CDCELP [NH3+]C1(C[NH2+]Cc2cccc(F)c2O)CCOCC1 ZINC000863482216 929559123 /nfs/dbraw/zinc/55/91/23/929559123.db2.gz WGFFABGUZXOCRV-UHFFFAOYSA-N 2 2 254.305 1.129 10 10 CDCELP CC[N@@H+]1CCO[C@H](C[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000069658907 378488749 /nfs/dbraw/zinc/48/87/49/378488749.db2.gz YPBOIHDXFDCTRW-OAHLLOKOSA-N 2 2 276.380 1.432 10 10 CDCELP CC[N@H+]1CCO[C@H](C[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000069658907 378488751 /nfs/dbraw/zinc/48/87/51/378488751.db2.gz YPBOIHDXFDCTRW-OAHLLOKOSA-N 2 2 276.380 1.432 10 10 CDCELP Cc1cc(O)c(C[N@@H+]2CCCO[C@H](C[NH3+])C2)c(Cl)c1 ZINC000841101252 618683203 /nfs/dbraw/zinc/68/32/03/618683203.db2.gz UILJZTHNBOHNIP-LLVKDONJSA-N 2 2 284.787 1.904 10 10 CDCELP Cc1cc(O)c(C[N@H+]2CCCO[C@H](C[NH3+])C2)c(Cl)c1 ZINC000841101252 618683204 /nfs/dbraw/zinc/68/32/04/618683204.db2.gz UILJZTHNBOHNIP-LLVKDONJSA-N 2 2 284.787 1.904 10 10 CDCELP Oc1ccccc1C[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903973204 626168880 /nfs/dbraw/zinc/16/88/80/626168880.db2.gz BGDVTTOGGHITMM-CQSZACIVSA-N 2 2 276.380 1.641 10 10 CDCELP C[C@@H]([NH3+])c1ccc(N2CC[NH+](CCO)CC2)c(Cl)c1 ZINC000061695685 525027129 /nfs/dbraw/zinc/02/71/29/525027129.db2.gz FSMGJZZVDZQCBI-LLVKDONJSA-N 2 2 283.803 1.474 10 10 CDCELP CCOc1ccc(O)c(C[N@@H+]2C[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000903984681 626173542 /nfs/dbraw/zinc/17/35/42/626173542.db2.gz RJVXNXQSBGLKHL-CQSZACIVSA-N 2 2 264.369 1.960 10 10 CDCELP CCOc1ccc(O)c(C[N@H+]2C[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000903984681 626173544 /nfs/dbraw/zinc/17/35/44/626173544.db2.gz RJVXNXQSBGLKHL-CQSZACIVSA-N 2 2 264.369 1.960 10 10 CDCELP C[C@@H]1CC[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)C[NH2+]1 ZINC000863484987 678799187 /nfs/dbraw/zinc/79/91/87/678799187.db2.gz QYRZHXLIJPPHTA-MWLCHTKSSA-N 2 2 264.325 1.351 10 10 CDCELP Cc1cc(Cl)cc(C[NH2+]C[C@H]2C[NH2+]CCO2)c1O ZINC000841098139 679593793 /nfs/dbraw/zinc/59/37/93/679593793.db2.gz DJFBJLVMCHJVMU-GFCCVEGCSA-N 2 2 270.760 1.432 10 10 CDCELP COc1cc(O)c(C[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1OC ZINC000530177895 368146491 /nfs/dbraw/zinc/14/64/91/368146491.db2.gz JUIYSCDYZUZABT-OAHLLOKOSA-N 2 2 292.379 1.784 10 10 CDCELP COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000925784830 617706809 /nfs/dbraw/zinc/70/68/09/617706809.db2.gz OGYPQHVMGZBAHI-GIPNMCIBSA-N 2 2 278.352 1.437 10 10 CDCELP [NH3+]CCCOCC[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000863487072 681603549 /nfs/dbraw/zinc/60/35/49/681603549.db2.gz QADASKCJEXQMQD-UHFFFAOYSA-N 2 2 276.739 1.640 10 10 CDCELP c1cc(C[NH2+][C@]23CCC[C@@H]2[NH2+]CC3)cc2c1OCC2 ZINC000873230778 723291793 /nfs/dbraw/zinc/29/17/93/723291793.db2.gz YAFQOUHVJKFLII-HOTGVXAUSA-N 2 2 258.365 1.996 10 10 CDCELP COc1cc(O)c(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)cc1OC ZINC000841059979 936973742 /nfs/dbraw/zinc/97/37/42/936973742.db2.gz ZFSKDMBNFXAAIK-CMPLNLGQSA-N 2 2 280.368 1.497 10 10 CDCELP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000863484089 929557395 /nfs/dbraw/zinc/55/73/95/929557395.db2.gz SXYIOQXJZVUXDZ-DLBZAZTESA-N 2 2 289.423 1.753 10 10 CDCELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000756103367 576977547 /nfs/dbraw/zinc/97/75/47/576977547.db2.gz RVSKRQXJJHMOJL-PBHICJAKSA-N 2 2 289.423 1.563 10 10 CDCELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000756103367 576977548 /nfs/dbraw/zinc/97/75/48/576977548.db2.gz RVSKRQXJJHMOJL-PBHICJAKSA-N 2 2 289.423 1.563 10 10 CDCELP Oc1cc2c(cc1C[NH+]1CCC3(CC[NH2+]3)CC1)OCO2 ZINC000817865554 695997408 /nfs/dbraw/zinc/99/74/08/695997408.db2.gz LESJTEXAWMEZRN-UHFFFAOYSA-N 2 2 276.336 1.449 10 10 CDCELP Oc1ccc(Cl)cc1C[NH2+]CC12CC(C1)C[NH2+]2 ZINC000853246701 724219597 /nfs/dbraw/zinc/21/95/97/724219597.db2.gz QEEGXKXGECOFGB-UHFFFAOYSA-N 2 2 252.745 1.887 10 10 CDCELP COc1c(O)c(C[NH2+][C@H](C)[C@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000841076526 725928009 /nfs/dbraw/zinc/92/80/09/725928009.db2.gz HXQBRMXURCTPDJ-JGVFFNPUSA-N 2 2 269.301 1.134 10 10 CDCELP C[C@@H]1C[NH2+]C[C@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000903964828 626171482 /nfs/dbraw/zinc/17/14/82/626171482.db2.gz WPAPGVBYXOSOFY-RHSMWYFYSA-N 3 2 288.439 1.136 10 10 CDCELP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+]Cc1ccc3c(c1)CCO3)C2 ZINC000368091807 359054523 /nfs/dbraw/zinc/05/45/23/359054523.db2.gz XVPSKQXCUSALTM-CYBMUJFWSA-N 2 2 269.348 1.992 10 10 CDCELP c1[nH]c2c([nH+]1)C[C@H]([NH2+]Cc1ccc3c(c1)CCO3)CC2 ZINC000368091807 359054531 /nfs/dbraw/zinc/05/45/31/359054531.db2.gz XVPSKQXCUSALTM-CYBMUJFWSA-N 2 2 269.348 1.992 10 10 CDCELP C[C@@H]1C[NH2+]C[C@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000903960470 626160330 /nfs/dbraw/zinc/16/03/30/626160330.db2.gz LUYKDOJHJILMKV-LDYMZIIASA-N 2 2 285.185 1.852 10 10 CDCELP CN(C)c1ccc(/C=C/C[NH2+]C[C@H]2C[NH2+]CCO2)cc1 ZINC000841100259 630579075 /nfs/dbraw/zinc/57/90/75/630579075.db2.gz ABDICNRIKKXFNB-CWDCEQMOSA-N 2 2 275.396 1.344 10 10 CDCELP COc1cccc(C[N@@H+]2CCCC[C@H]2C[NH3+])c1O ZINC000044539615 630548656 /nfs/dbraw/zinc/54/86/56/630548656.db2.gz SHQYMIOIKMFYSU-LBPRGKRZSA-N 2 2 250.342 1.714 10 10 CDCELP COc1cccc(C[N@H+]2CCCC[C@H]2C[NH3+])c1O ZINC000044539615 630548657 /nfs/dbraw/zinc/54/86/57/630548657.db2.gz SHQYMIOIKMFYSU-LBPRGKRZSA-N 2 2 250.342 1.714 10 10 CDCELP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000863481433 731448372 /nfs/dbraw/zinc/44/83/72/731448372.db2.gz HOLFTAAHZSSFGD-WDEREUQCSA-N 2 2 264.325 1.351 10 10 CDCELP c1cc(C[NH2+][C@@]23CCC[C@@H]2[NH2+]CC3)cc2c1OCC2 ZINC000873230780 731877649 /nfs/dbraw/zinc/87/76/49/731877649.db2.gz YAFQOUHVJKFLII-JKSUJKDBSA-N 2 2 258.365 1.996 10 10 CDCELP [NH3+]CC[C@H]([NH3+])c1ccc(Br)c(F)c1O ZINC000306654895 364350012 /nfs/dbraw/zinc/35/00/12/364350012.db2.gz KBJCTVDOMDYUMR-ZETCQYMHSA-N 2 2 263.110 1.642 10 10 CDCELP CN(C)c1ccc(/C=C/CN2CC[N@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000843121639 737278601 /nfs/dbraw/zinc/27/86/01/737278601.db2.gz FWFGBIQWRMMBGJ-BDUNBXCCSA-N 2 2 288.439 1.341 10 10 CDCELP CN(C)c1ccc(/C=C/CN2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000843121639 737278607 /nfs/dbraw/zinc/27/86/07/737278607.db2.gz FWFGBIQWRMMBGJ-BDUNBXCCSA-N 2 2 288.439 1.341 10 10 CDCELP COc1cc(O)c(C[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)cc1OC ZINC000863485301 739383476 /nfs/dbraw/zinc/38/34/76/739383476.db2.gz YNYNMIDRQVDQFM-PWSUYJOCSA-N 2 2 280.368 1.640 10 10 CDCELP CCOc1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)c(O)c1 ZINC000841059524 742882220 /nfs/dbraw/zinc/88/22/20/742882220.db2.gz TZEWEDAERRXRIC-BXUZGUMPSA-N 2 2 264.369 1.879 10 10 CDCELP C[C@@H]1CC[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)C[NH2+]1 ZINC000863484986 746036952 /nfs/dbraw/zinc/03/69/52/746036952.db2.gz QYRZHXLIJPPHTA-KOLCDFICSA-N 2 2 264.325 1.351 10 10 CDCELP Cc1cc(O)c(C[NH2+]C[C@](C)(O)C[NH+](C)C)c(Cl)c1 ZINC000840907777 746288626 /nfs/dbraw/zinc/28/86/26/746288626.db2.gz QNAODQNDACOUHW-AWEZNQCLSA-N 2 2 286.803 1.756 10 10 CDCELP COc1c(O)c(C[NH2+][C@H](C)[C@@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000841076525 748262882 /nfs/dbraw/zinc/26/28/82/748262882.db2.gz HXQBRMXURCTPDJ-HTQZYQBOSA-N 2 2 269.301 1.134 10 10 CDCELP Cc1cc(Cl)cc(CN2CC[N@@H+](C)C[C@H]2C[NH3+])c1O ZINC000843120285 937114434 /nfs/dbraw/zinc/11/44/34/937114434.db2.gz CXFDPCHVCQXPAT-CYBMUJFWSA-N 2 2 283.803 1.429 10 10 CDCELP Cc1cc(Cl)cc(CN2CC[N@H+](C)C[C@H]2C[NH3+])c1O ZINC000843120285 937114437 /nfs/dbraw/zinc/11/44/37/937114437.db2.gz CXFDPCHVCQXPAT-CYBMUJFWSA-N 2 2 283.803 1.429 10 10 CDCELP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000841058445 749786235 /nfs/dbraw/zinc/78/62/35/749786235.db2.gz HDOYRXVOFVLJRO-MWLCHTKSSA-N 2 2 264.325 1.209 10 10 CDCELP COc1cccc(C[N@H+](C)[C@@H]2C[NH+]3CCC2CC3)c1O ZINC000380616254 751072050 /nfs/dbraw/zinc/07/20/50/751072050.db2.gz GJZDSYJONVPZAK-CQSZACIVSA-N 2 2 276.380 1.927 10 10 CDCELP COc1cccc(C[N@@H+](C)[C@@H]2C[NH+]3CCC2CC3)c1O ZINC000380616254 751072056 /nfs/dbraw/zinc/07/20/56/751072056.db2.gz GJZDSYJONVPZAK-CQSZACIVSA-N 2 2 276.380 1.927 10 10 CDCELP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000841076735 752385778 /nfs/dbraw/zinc/38/57/78/752385778.db2.gz NRTSRYZAETYFJB-KGLIPLIRSA-N 3 2 276.428 1.264 10 10 CDCELP [NH3+]C1(C[NH2+]Cc2c(O)cccc2Cl)CCOCC1 ZINC000863481626 754854224 /nfs/dbraw/zinc/85/42/24/754854224.db2.gz KQQXDFXTWPXXNJ-UHFFFAOYSA-N 2 2 270.760 1.643 10 10 CDCELP Cn1cc[nH+]c1-c1ccc(N2CCC[NH2+]CC2)cc1 ZINC000082566770 178096625 /nfs/dbraw/zinc/09/66/25/178096625.db2.gz UZYUQAMUFYCMIQ-UHFFFAOYSA-N 2 2 256.353 1.887 10 10 CDCELP Oc1cc2c(cc1C[NH2+][C@@H]1CC[NH2+]C13CCC3)OCO2 ZINC000530177314 368147244 /nfs/dbraw/zinc/14/72/44/368147244.db2.gz FWGRKUBAVXELKN-CQSZACIVSA-N 2 2 276.336 1.495 10 10 CDCELP COc1ccc(N2CC[C@H]([NH2+][C@@H]3C[NH2+]CC[C@@H]3C)C2)cc1 ZINC000854216914 777004846 /nfs/dbraw/zinc/00/48/46/777004846.db2.gz HEAFKWNJPYVORK-GRDNDAEWSA-N 2 2 289.423 1.862 10 10 CDCELP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001345104210 964576768 /nfs/dbraw/zinc/57/67/68/964576768.db2.gz LGLUWNYCKAKXNU-STQMWFEESA-N 3 2 294.418 1.403 10 10 CDCELP C[N@H+]1CCC[C@H]1C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000227440329 393208055 /nfs/dbraw/zinc/20/80/55/393208055.db2.gz VJAPLELAQWPQHJ-NSHDSACASA-N 2 2 264.325 1.305 10 10 CDCELP Oc1cc2c(cc1C[NH2+][C@H]1CC[NH2+]C13CCCC3)OCO2 ZINC000843127214 937115761 /nfs/dbraw/zinc/11/57/61/937115761.db2.gz CBQBNBCXZVRJGQ-HNNXBMFYSA-N 2 2 290.363 1.885 10 10 CDCELP [NH3+]CC[C@@H]([NH3+])c1ccc(Br)c(F)c1O ZINC000306654894 364347750 /nfs/dbraw/zinc/34/77/50/364347750.db2.gz KBJCTVDOMDYUMR-SSDOTTSWSA-N 2 2 263.110 1.642 10 10 CDCELP COc1cccc(O)c1C[NH+]1CCC([NH+](C)C)CC1 ZINC000768530419 576293617 /nfs/dbraw/zinc/29/36/17/576293617.db2.gz ICEWVFCJSLHJSW-UHFFFAOYSA-N 2 2 264.369 1.927 10 10 CDCELP COc1cccc(C[NH2+][C@H]2CC[C@H](C)[NH2+]C2)c1O ZINC000863484895 929557296 /nfs/dbraw/zinc/55/72/96/929557296.db2.gz PIHJPBPOJQQUTR-JQWIXIFHSA-N 2 2 250.342 1.631 10 10 CDCELP COc1ccc(O)c([C@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000925782363 932938764 /nfs/dbraw/zinc/93/87/64/932938764.db2.gz FRUCIITWOOXSGT-GBIKHYSHSA-N 2 2 250.342 1.659 10 10 CDCELP COc1cccc(C[N@@H+]2C[C@H]([NH3+])C(C)(C)C2)c1O ZINC000720767726 935246856 /nfs/dbraw/zinc/24/68/56/935246856.db2.gz KMGXZCBEPXMBDA-LBPRGKRZSA-N 2 2 250.342 1.570 10 10 CDCELP COc1cccc(C[N@H+]2C[C@H]([NH3+])C(C)(C)C2)c1O ZINC000720767726 935246860 /nfs/dbraw/zinc/24/68/60/935246860.db2.gz KMGXZCBEPXMBDA-LBPRGKRZSA-N 2 2 250.342 1.570 10 10 CDCELP COCC[NH+](CCOC)[C@@H](C[NH3+])c1ccc(N(C)C)cc1 ZINC000032053255 171691807 /nfs/dbraw/zinc/69/18/07/171691807.db2.gz WJIUHQQVEJBVNW-INIZCTEOSA-N 2 2 295.427 1.347 10 10 CDCELP Oc1c(F)cccc1C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530177492 333527031 /nfs/dbraw/zinc/52/70/31/333527031.db2.gz JGBBUROGVZFOSQ-LBPRGKRZSA-N 2 2 250.317 1.906 10 10 CDCELP [NH3+][C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000843044266 784475929 /nfs/dbraw/zinc/47/59/29/784475929.db2.gz ZPEFHCYLGOLOJC-OAHLLOKOSA-N 2 2 275.396 1.446 10 10 CDCELP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000843044266 784475935 /nfs/dbraw/zinc/47/59/35/784475935.db2.gz ZPEFHCYLGOLOJC-OAHLLOKOSA-N 2 2 275.396 1.446 10 10 CDCELP COc1ccc(O)c(C[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000863483970 786829618 /nfs/dbraw/zinc/82/96/18/786829618.db2.gz FYPZMGYBCMHILO-PWSUYJOCSA-N 2 2 250.342 1.631 10 10 CDCELP CCOc1cccc(C[N@@H+]2C[C@@H]([NH3+])C(C)(C)C2)c1O ZINC000720815580 935250051 /nfs/dbraw/zinc/25/00/51/935250051.db2.gz FWCXENCNIBCBHQ-CYBMUJFWSA-N 2 2 264.369 1.960 10 10 CDCELP CCOc1cccc(C[N@H+]2C[C@@H]([NH3+])C(C)(C)C2)c1O ZINC000720815580 935250053 /nfs/dbraw/zinc/25/00/53/935250053.db2.gz FWCXENCNIBCBHQ-CYBMUJFWSA-N 2 2 264.369 1.960 10 10 CDCELP CCOc1ccc(O)c(C[NH2+][C@@H]2CC[NH2+][C@H]2C)c1 ZINC000863487046 790883870 /nfs/dbraw/zinc/88/38/70/790883870.db2.gz JOOPFOOLIKUPMW-GXFFZTMASA-N 2 2 250.342 1.631 10 10 CDCELP CCOc1cccc(C[N@@H+]2C[C@H]([NH3+])C(C)(C)C2)c1O ZINC000720815581 791495309 /nfs/dbraw/zinc/49/53/09/791495309.db2.gz FWCXENCNIBCBHQ-ZDUSSCGKSA-N 2 2 264.369 1.960 10 10 CDCELP CCOc1cccc(C[N@H+]2C[C@H]([NH3+])C(C)(C)C2)c1O ZINC000720815581 791495316 /nfs/dbraw/zinc/49/53/16/791495316.db2.gz FWCXENCNIBCBHQ-ZDUSSCGKSA-N 2 2 264.369 1.960 10 10 CDCELP [NH3+]C1(C[NH2+]Cc2cccc(Cl)c2O)CCOCC1 ZINC000863482273 793043996 /nfs/dbraw/zinc/04/39/96/793043996.db2.gz XKFWEMYQEOWVDQ-UHFFFAOYSA-N 2 2 270.760 1.643 10 10 CDCELP C[C@H]1CC[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)C[NH2+]1 ZINC000863484988 795899301 /nfs/dbraw/zinc/89/93/01/795899301.db2.gz QYRZHXLIJPPHTA-ONGXEEELSA-N 2 2 264.325 1.351 10 10 CDCELP CCOc1cccc(C[N@@H+]2C[C@@H](C)[C@@H]([NH3+])C2)c1O ZINC000233821378 796050685 /nfs/dbraw/zinc/05/06/85/796050685.db2.gz FMRZQGQZNJYLHH-PWSUYJOCSA-N 2 2 250.342 1.570 10 10 CDCELP CCOc1cccc(C[N@H+]2C[C@@H](C)[C@@H]([NH3+])C2)c1O ZINC000233821378 796050695 /nfs/dbraw/zinc/05/06/95/796050695.db2.gz FMRZQGQZNJYLHH-PWSUYJOCSA-N 2 2 250.342 1.570 10 10 CDCELP COc1ccc(O)c(C[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000863483968 796391161 /nfs/dbraw/zinc/39/11/61/796391161.db2.gz FYPZMGYBCMHILO-CMPLNLGQSA-N 2 2 250.342 1.631 10 10 CDCELP Oc1c(F)cccc1C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000165046090 331305750 /nfs/dbraw/zinc/30/57/50/331305750.db2.gz XATLQAJHGYNRGK-CHWSQXEVSA-N 2 2 280.343 1.484 10 10 CDCELP Oc1c(F)cccc1C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000165046090 331305751 /nfs/dbraw/zinc/30/57/51/331305751.db2.gz XATLQAJHGYNRGK-CHWSQXEVSA-N 2 2 280.343 1.484 10 10 CDCELP COc1ccc(O)c(C[N@@H+]2C[C@H]([NH3+])C(C)(C)C2)c1 ZINC000720767583 935246796 /nfs/dbraw/zinc/24/67/96/935246796.db2.gz JJNIENRAVZMCQH-ZDUSSCGKSA-N 2 2 250.342 1.570 10 10 CDCELP COc1ccc(O)c(C[N@H+]2C[C@H]([NH3+])C(C)(C)C2)c1 ZINC000720767583 935246801 /nfs/dbraw/zinc/24/68/01/935246801.db2.gz JJNIENRAVZMCQH-ZDUSSCGKSA-N 2 2 250.342 1.570 10 10 CDCELP Oc1c(F)cccc1C[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903954230 626166693 /nfs/dbraw/zinc/16/66/93/626166693.db2.gz AWORZEFZNLWCIN-SNVBAGLBSA-N 2 2 274.286 1.866 10 10 CDCELP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000841023443 811840278 /nfs/dbraw/zinc/84/02/78/811840278.db2.gz CWWGIZGPXVVRSX-YOEHRIQHSA-N 3 2 288.439 1.360 10 10 CDCELP C[C@H]1[C@@H]([NH3+])CC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000841023443 811840279 /nfs/dbraw/zinc/84/02/79/811840279.db2.gz CWWGIZGPXVVRSX-YOEHRIQHSA-N 3 2 288.439 1.360 10 10 CDCELP COc1cccc(C[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)c1O ZINC000863484897 814458137 /nfs/dbraw/zinc/45/81/37/814458137.db2.gz PIHJPBPOJQQUTR-ZYHUDNBSSA-N 2 2 250.342 1.631 10 10 CDCELP COc1ccc(N2CC[C@@H]([NH2+][C@@H]3CC[NH2+]C3)C2)cc1 ZINC000849350409 969940924 /nfs/dbraw/zinc/94/09/24/969940924.db2.gz OLWQWQTYXAMGDA-CHWSQXEVSA-N 2 2 261.369 1.225 10 10 CDCELP COc1ccc(N2CC[C@@H]([NH2+][C@H]3CC[NH2+]C3)C2)cc1 ZINC000849350416 819368166 /nfs/dbraw/zinc/36/81/66/819368166.db2.gz OLWQWQTYXAMGDA-QWHCGFSZSA-N 2 2 261.369 1.225 10 10 CDCELP C[NH2+]CCOCC[N@H+](C)Cc1cc(Cl)cc(F)c1O ZINC000863647735 819874619 /nfs/dbraw/zinc/87/46/19/819874619.db2.gz TTZRVEIEBTYCKV-UHFFFAOYSA-N 2 2 290.766 1.853 10 10 CDCELP C[NH2+]CCOCC[N@@H+](C)Cc1cc(Cl)cc(F)c1O ZINC000863647735 819874620 /nfs/dbraw/zinc/87/46/20/819874620.db2.gz TTZRVEIEBTYCKV-UHFFFAOYSA-N 2 2 290.766 1.853 10 10 CDCELP c1cc(N2CCOCC2)ccc1C[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000841089535 822374389 /nfs/dbraw/zinc/37/43/89/822374389.db2.gz IBSDPBJRMDXTIB-MRXNPFEDSA-N 2 2 289.423 1.755 10 10 CDCELP COc1ccc(O)c(C[NH2+]C[C@@H]2CCC[N@@H+]2C)c1 ZINC000224570140 390896868 /nfs/dbraw/zinc/89/68/68/390896868.db2.gz BBMTYHLWHWMDFD-LBPRGKRZSA-N 2 2 250.342 1.585 10 10 CDCELP COc1ccc(O)c(C[NH2+]C[C@@H]2CCC[N@H+]2C)c1 ZINC000224570140 390896870 /nfs/dbraw/zinc/89/68/70/390896870.db2.gz BBMTYHLWHWMDFD-LBPRGKRZSA-N 2 2 250.342 1.585 10 10 CDCELP CCOc1ccc(O)c(C[NH2+][C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000903960668 626160306 /nfs/dbraw/zinc/16/03/06/626160306.db2.gz UKJAKEVCOQYFDM-ZWNOBZJWSA-N 2 2 250.342 1.488 10 10 CDCELP CN(C)c1ccc(/C=C\CN2CC[N@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000843121641 824347928 /nfs/dbraw/zinc/34/79/28/824347928.db2.gz FWFGBIQWRMMBGJ-CHYADLBTSA-N 2 2 288.439 1.341 10 10 CDCELP CN(C)c1ccc(/C=C\CN2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000843121641 824347929 /nfs/dbraw/zinc/34/79/29/824347929.db2.gz FWFGBIQWRMMBGJ-CHYADLBTSA-N 2 2 288.439 1.341 10 10 CDCELP COc1cc(O)c(C[NH2+][C@@H]2CCCC[NH2+]C2)cc1OC ZINC000841090814 826357769 /nfs/dbraw/zinc/35/77/69/826357769.db2.gz RBRUVTWCJOOANY-GFCCVEGCSA-N 2 2 280.368 1.641 10 10 CDCELP Oc1ccc(F)cc1C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530176633 368147206 /nfs/dbraw/zinc/14/72/06/368147206.db2.gz DRUWFEHCIONGKU-CYBMUJFWSA-N 2 2 250.317 1.906 10 10 CDCELP COc1ccc(O)c(C[N@@H+]2CCCC[C@H]2C[NH3+])c1 ZINC000044540377 832828272 /nfs/dbraw/zinc/82/82/72/832828272.db2.gz ZNHVJDAOCYRYCC-LBPRGKRZSA-N 2 2 250.342 1.714 10 10 CDCELP COc1ccc(O)c(C[N@H+]2CCCC[C@H]2C[NH3+])c1 ZINC000044540377 832828273 /nfs/dbraw/zinc/82/82/73/832828273.db2.gz ZNHVJDAOCYRYCC-LBPRGKRZSA-N 2 2 250.342 1.714 10 10 CDCELP Cc1cc(O)c(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c(Cl)c1 ZINC000840940054 834286490 /nfs/dbraw/zinc/28/64/90/834286490.db2.gz UVBJDKIWDQHYHL-CQSZACIVSA-N 2 2 284.787 1.510 10 10 CDCELP Cc1cc(O)c(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)c(Cl)c1 ZINC000840940054 834286503 /nfs/dbraw/zinc/28/65/03/834286503.db2.gz UVBJDKIWDQHYHL-CQSZACIVSA-N 2 2 284.787 1.510 10 10 CDCELP COC[C@H](CCC[NH3+])[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817941861 834396517 /nfs/dbraw/zinc/39/65/17/834396517.db2.gz LHGRZEIROGRUSC-HOCLYGCPSA-N 3 2 294.443 1.096 10 10 CDCELP CCOc1cccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H]2C)c1O ZINC000393982296 936673812 /nfs/dbraw/zinc/67/38/12/936673812.db2.gz UXVVHGILDFKRDW-JQWIXIFHSA-N 2 2 250.342 1.712 10 10 CDCELP CCOc1cccc(C[N@H+]2CC[C@H]([NH3+])[C@@H]2C)c1O ZINC000393982296 936673814 /nfs/dbraw/zinc/67/38/14/936673814.db2.gz UXVVHGILDFKRDW-JQWIXIFHSA-N 2 2 250.342 1.712 10 10 CDCELP CN(C)c1ccc(/C=C\C[NH2+]C[C@@H]2C[NH2+]CCO2)cc1 ZINC000841100260 630579107 /nfs/dbraw/zinc/57/91/07/630579107.db2.gz ABDICNRIKKXFNB-MJSXRHKHSA-N 2 2 275.396 1.344 10 10 CDCELP C[NH+](C)C1CC([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000848559371 837763895 /nfs/dbraw/zinc/76/38/95/837763895.db2.gz ZDFUDZFBDTVRNT-UHFFFAOYSA-N 2 2 289.423 1.705 10 10 CDCELP COC[C@@H](CCC[NH3+])[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817941863 840834584 /nfs/dbraw/zinc/83/45/84/840834584.db2.gz LHGRZEIROGRUSC-ZBFHGGJFSA-N 3 2 294.443 1.096 10 10 CDCELP COc1cc(O)c(C[NH2+]CC23CC(C2)C[NH2+]3)cc1OC ZINC000853246378 841833290 /nfs/dbraw/zinc/83/32/90/841833290.db2.gz JEMOHEAQNRKBCY-UHFFFAOYSA-N 2 2 278.352 1.251 10 10 CDCELP [NH3+]CC[C@H]([NH3+])c1cc(Br)cc(F)c1O ZINC000306846783 375799059 /nfs/dbraw/zinc/79/90/59/375799059.db2.gz IXPZCRBPAXWFDY-QMMMGPOBSA-N 2 2 263.110 1.642 10 10 CDCELP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000756103382 575745173 /nfs/dbraw/zinc/74/51/73/575745173.db2.gz RVSKRQXJJHMOJL-YOEHRIQHSA-N 2 2 289.423 1.563 10 10 CDCELP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000756103382 575745175 /nfs/dbraw/zinc/74/51/75/575745175.db2.gz RVSKRQXJJHMOJL-YOEHRIQHSA-N 2 2 289.423 1.563 10 10 CDCELP CCO[C@H](C[NH2+][C@H]1CCc2cccc(O)c21)C[NH+](C)C ZINC000926963500 621634013 /nfs/dbraw/zinc/63/40/13/621634013.db2.gz UOUDIGXRFLFCEA-KGLIPLIRSA-N 2 2 278.396 1.936 10 10 CDCELP Cc1cc(C[N@@H+]2CCC[C@@]([NH3+])(CO)C2)ccc1N(C)C ZINC000923470794 846870951 /nfs/dbraw/zinc/87/09/51/846870951.db2.gz BJBXZYOSULOQIB-INIZCTEOSA-N 2 2 277.412 1.347 10 10 CDCELP Cc1cc(C[N@H+]2CCC[C@@]([NH3+])(CO)C2)ccc1N(C)C ZINC000923470794 846870953 /nfs/dbraw/zinc/87/09/53/846870953.db2.gz BJBXZYOSULOQIB-INIZCTEOSA-N 2 2 277.412 1.347 10 10 CDCELP c1[nH]c2c([nH+]1)CC[C@H]([NH2+]Cc1ccc3c(c1)CCO3)C2 ZINC000368091808 390622296 /nfs/dbraw/zinc/62/22/96/390622296.db2.gz XVPSKQXCUSALTM-ZDUSSCGKSA-N 2 2 269.348 1.992 10 10 CDCELP c1[nH]c2c([nH+]1)C[C@@H]([NH2+]Cc1ccc3c(c1)CCO3)CC2 ZINC000368091808 390622297 /nfs/dbraw/zinc/62/22/97/390622297.db2.gz XVPSKQXCUSALTM-ZDUSSCGKSA-N 2 2 269.348 1.992 10 10 CDCELP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cccc(Cl)c1O ZINC000903967407 626172416 /nfs/dbraw/zinc/17/24/16/626172416.db2.gz JCWNELHVHGZAIP-KOLCDFICSA-N 2 2 254.761 1.991 10 10 CDCELP CCO[C@@H]1C[N@H+](Cc2cccc(Cl)c2O)C[C@H]1C[NH3+] ZINC000844903315 697970538 /nfs/dbraw/zinc/97/05/38/697970538.db2.gz AVGSOZJQGSMNQD-DGCLKSJQSA-N 2 2 284.787 1.841 10 10 CDCELP CCO[C@@H]1C[N@@H+](Cc2cccc(Cl)c2O)C[C@H]1C[NH3+] ZINC000844903315 697970541 /nfs/dbraw/zinc/97/05/41/697970541.db2.gz AVGSOZJQGSMNQD-DGCLKSJQSA-N 2 2 284.787 1.841 10 10 CDCELP COc1cc(Cl)cc(C[NH2+][C@@H]2CC[NH2+][C@H]2C)c1O ZINC000863487252 849508498 /nfs/dbraw/zinc/50/84/98/849508498.db2.gz MFWGPXDWCVDVQR-GZMMTYOYSA-N 2 2 270.760 1.894 10 10 CDCELP COc1ccc(N2CC[C@H]([NH2+][C@@H]3C[NH2+]C[C@@H](C)C3)C2)cc1 ZINC000849350514 705533470 /nfs/dbraw/zinc/53/34/70/705533470.db2.gz OXMSQXMMGDHHGW-KKUMJFAQSA-N 2 2 289.423 1.862 10 10 CDCELP [NH3+]CC[C@H]([NH3+])c1c(O)c(F)ccc1Br ZINC000306981433 364927578 /nfs/dbraw/zinc/92/75/78/364927578.db2.gz HTUKZFSSJZKNKU-ZETCQYMHSA-N 2 2 263.110 1.642 10 10 CDCELP COc1c(O)c(C[NH2+]CC23CC(C2)C[NH2+]3)ccc1[N+](=O)[O-] ZINC000853247019 712179168 /nfs/dbraw/zinc/17/91/68/712179168.db2.gz ZIBWWLRCVJFKNE-UHFFFAOYSA-N 2 2 293.323 1.151 10 10 CDCELP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000863543445 929567412 /nfs/dbraw/zinc/56/74/12/929567412.db2.gz OYDWRBKQQAPMOQ-LEWSCRJBSA-N 2 2 292.379 1.970 10 10 CDCELP Oc1ccc(F)cc1C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530176634 368146965 /nfs/dbraw/zinc/14/69/65/368146965.db2.gz DRUWFEHCIONGKU-ZDUSSCGKSA-N 2 2 250.317 1.906 10 10 CDCELP CCOc1cccc(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)c1O ZINC000841057603 936973622 /nfs/dbraw/zinc/97/36/22/936973622.db2.gz AQDXALNKQWRXOD-DGCLKSJQSA-N 2 2 264.369 1.879 10 10 CDCELP CCOc1ccc(C[N@@H+]2C[C@@H]([NH3+])C(C)(C)C2)c(O)c1 ZINC000903984526 626173618 /nfs/dbraw/zinc/17/36/18/626173618.db2.gz GKHMJOBQEOIKIV-CQSZACIVSA-N 2 2 264.369 1.960 10 10 CDCELP CCOc1ccc(C[N@H+]2C[C@@H]([NH3+])C(C)(C)C2)c(O)c1 ZINC000903984526 626173620 /nfs/dbraw/zinc/17/36/20/626173620.db2.gz GKHMJOBQEOIKIV-CQSZACIVSA-N 2 2 264.369 1.960 10 10 CDCELP CCOc1ccc(C[NH2+]C[C@@H]2CCC[N@H+]2C)c(O)c1 ZINC000858307201 928834310 /nfs/dbraw/zinc/83/43/10/928834310.db2.gz DAYQEONCMJDHEB-ZDUSSCGKSA-N 2 2 264.369 1.975 10 10 CDCELP C[NH+]1CCC([NH+]2CCN(c3ccc(N)cc3)CC2)CC1 ZINC000113224196 350656989 /nfs/dbraw/zinc/65/69/89/350656989.db2.gz YHTRBGVJBWLRBX-UHFFFAOYSA-N 2 2 274.412 1.485 10 10 CDCELP [NH3+]CC[C@H]([NH3+])c1cc(F)cc(Br)c1O ZINC000306595551 360649173 /nfs/dbraw/zinc/64/91/73/360649173.db2.gz XZZUJQFBYXPQBV-QMMMGPOBSA-N 2 2 263.110 1.642 10 10 CDCELP [NH3+]CC[C@H]([NH3+])c1c(O)c(Br)ccc1F ZINC000307205374 375818174 /nfs/dbraw/zinc/81/81/74/375818174.db2.gz HFSCYLINKMVOGZ-ZETCQYMHSA-N 2 2 263.110 1.642 10 10 CDCELP CCOc1ccc(C[NH2+][C@@H]2C[NH2+]C[C@H]2C)c(O)c1 ZINC000903960665 626160314 /nfs/dbraw/zinc/16/03/14/626160314.db2.gz UIMMLJWYTDEKEN-ZWNOBZJWSA-N 2 2 250.342 1.488 10 10 CDCELP COc1ccc(N2CC[C@H]([NH2+][C@H]3C[NH2+]C[C@@H](C)C3)C2)cc1 ZINC000849350516 677802994 /nfs/dbraw/zinc/80/29/94/677802994.db2.gz OXMSQXMMGDHHGW-SOUVJXGZSA-N 2 2 289.423 1.862 10 10 CDCELP COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2C)c1 ZINC000863546829 678106640 /nfs/dbraw/zinc/10/66/40/678106640.db2.gz MZVAZPPUUMRBEM-GBIKHYSHSA-N 2 2 250.342 1.802 10 10 CDCELP COc1ccc(O)c(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)c1 ZINC000841058981 679189088 /nfs/dbraw/zinc/18/90/88/679189088.db2.gz ITXIOKSSEUZPER-ZWNOBZJWSA-N 2 2 250.342 1.488 10 10 CDCELP COCC[N@H+](C)CC[NH2+]Cc1ccc(OC)cc1O ZINC000061377792 523608738 /nfs/dbraw/zinc/60/87/38/523608738.db2.gz HLYPJQMTOIFHGO-UHFFFAOYSA-N 2 2 268.357 1.069 10 10 CDCELP COCC[N@@H+](C)CC[NH2+]Cc1ccc(OC)cc1O ZINC000061377792 523608743 /nfs/dbraw/zinc/60/87/43/523608743.db2.gz HLYPJQMTOIFHGO-UHFFFAOYSA-N 2 2 268.357 1.069 10 10 CDCELP C[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1cc(F)cc(F)c1O ZINC000925812844 617757057 /nfs/dbraw/zinc/75/70/57/617757057.db2.gz PTFCAGKFAYHXEU-JTQLQIEISA-N 2 2 299.365 1.744 10 10 CDCELP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC23CC(C2)C[NH2+]3)c1 ZINC000854226993 682514104 /nfs/dbraw/zinc/51/41/04/682514104.db2.gz KGCKUCOYHXQZET-SGWRBKMISA-N 2 2 290.363 1.581 10 10 CDCELP CCOc1cccc(C[N@H+]2C[C@H]([NH3+])[C@@H](C)C2)c1O ZINC000233821538 685859535 /nfs/dbraw/zinc/85/95/35/685859535.db2.gz FMRZQGQZNJYLHH-JQWIXIFHSA-N 2 2 250.342 1.570 10 10 CDCELP CCOc1cccc(C[N@@H+]2C[C@H]([NH3+])[C@@H](C)C2)c1O ZINC000233821538 685859538 /nfs/dbraw/zinc/85/95/38/685859538.db2.gz FMRZQGQZNJYLHH-JQWIXIFHSA-N 2 2 250.342 1.570 10 10 CDCELP CCOc1cccc(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)c1O ZINC000841057605 686184663 /nfs/dbraw/zinc/18/46/63/686184663.db2.gz AQDXALNKQWRXOD-YPMHNXCESA-N 2 2 264.369 1.879 10 10 CDCELP CCOc1ccc(O)c(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)c1 ZINC000841058106 694338730 /nfs/dbraw/zinc/33/87/30/694338730.db2.gz GIBKZOMPABSTAL-BXUZGUMPSA-N 2 2 264.369 1.879 10 10 CDCELP C[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000863487935 723180451 /nfs/dbraw/zinc/18/04/51/723180451.db2.gz ZECFBVWWXUHXKU-GZMMTYOYSA-N 2 2 285.185 1.995 10 10 CDCELP Cc1cc(O)c(C[N@@H+]2CCCO[C@@H](C[NH3+])C2)c(Cl)c1 ZINC000841101253 618682941 /nfs/dbraw/zinc/68/29/41/618682941.db2.gz UILJZTHNBOHNIP-NSHDSACASA-N 2 2 284.787 1.904 10 10 CDCELP Cc1cc(O)c(C[N@H+]2CCCO[C@@H](C[NH3+])C2)c(Cl)c1 ZINC000841101253 618682945 /nfs/dbraw/zinc/68/29/45/618682945.db2.gz UILJZTHNBOHNIP-NSHDSACASA-N 2 2 284.787 1.904 10 10 CDCELP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817941858 723948925 /nfs/dbraw/zinc/94/89/25/723948925.db2.gz LHGRZEIROGRUSC-GDBMZVCRSA-N 3 2 294.443 1.096 10 10 CDCELP COc1ccc(N2CC[C@H]([NH2+][C@@H]3CC[NH2+]C3)C2)cc1 ZINC000849350413 725614475 /nfs/dbraw/zinc/61/44/75/725614475.db2.gz OLWQWQTYXAMGDA-OLZOCXBDSA-N 2 2 261.369 1.225 10 10 CDCELP CCO[C@H](C[NH2+][C@@H]1CCc2cccc(O)c21)C[NH+](C)C ZINC000926963505 621634131 /nfs/dbraw/zinc/63/41/31/621634131.db2.gz UOUDIGXRFLFCEA-ZIAGYGMSSA-N 2 2 278.396 1.936 10 10 CDCELP C[C@@H]1C[NH2+]C[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000903960366 626160454 /nfs/dbraw/zinc/16/04/54/626160454.db2.gz GRUPYMDGSXIEHT-CZUORRHYSA-N 2 2 275.396 1.221 10 10 CDCELP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000841026022 728872442 /nfs/dbraw/zinc/87/24/42/728872442.db2.gz QBHRMDGZLUDCRB-BBRMVZONSA-N 2 2 275.396 1.445 10 10 CDCELP C[C@H]1[C@@H]([NH3+])CC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000841026022 728872443 /nfs/dbraw/zinc/87/24/43/728872443.db2.gz QBHRMDGZLUDCRB-BBRMVZONSA-N 2 2 275.396 1.445 10 10 CDCELP CCOc1ccc(O)c(C[NH2+]C[C@@H]2CCC[N@@H+]2C)c1 ZINC000237046332 728424599 /nfs/dbraw/zinc/42/45/99/728424599.db2.gz LFXMGXJHVVVFLL-ZDUSSCGKSA-N 2 2 264.369 1.975 10 10 CDCELP CCOc1ccc(O)c(C[NH2+]C[C@@H]2CCC[N@H+]2C)c1 ZINC000237046332 728424603 /nfs/dbraw/zinc/42/46/03/728424603.db2.gz LFXMGXJHVVVFLL-ZDUSSCGKSA-N 2 2 264.369 1.975 10 10 CDCELP CCOc1cccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)c1O ZINC000841057604 729240110 /nfs/dbraw/zinc/24/01/10/729240110.db2.gz AQDXALNKQWRXOD-WCQYABFASA-N 2 2 264.369 1.879 10 10 CDCELP C[C@H](C[NH3+])[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000843051769 729474931 /nfs/dbraw/zinc/47/49/31/729474931.db2.gz LNILWQGOAJTMBM-CYBMUJFWSA-N 2 2 263.385 1.302 10 10 CDCELP Oc1c(F)cccc1C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530177489 368146919 /nfs/dbraw/zinc/14/69/19/368146919.db2.gz JGBBUROGVZFOSQ-GFCCVEGCSA-N 2 2 250.317 1.906 10 10 CDCELP [NH3+]C1(C[NH2+]Cc2c(O)ccc(Cl)c2F)CCOCC1 ZINC000863646230 733260336 /nfs/dbraw/zinc/26/03/36/733260336.db2.gz RIEOZMGEWNNKKG-UHFFFAOYSA-N 2 2 288.750 1.782 10 10 CDCELP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000863482130 734653206 /nfs/dbraw/zinc/65/32/06/734653206.db2.gz UOQBEFMTFOWTLD-NWDGAFQWSA-N 2 2 280.368 1.640 10 10 CDCELP CCOc1ccc(O)c(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000841058107 735632692 /nfs/dbraw/zinc/63/26/92/735632692.db2.gz GIBKZOMPABSTAL-FZMZJTMJSA-N 2 2 264.369 1.879 10 10 CDCELP C[N@@H+]1C[C@@H]2C[NH+](Cc3cc(F)ccc3O)C[C@]2(C)C1 ZINC000702404797 922542213 /nfs/dbraw/zinc/54/22/13/922542213.db2.gz DTTTYDGGCGLOIJ-DOMZBBRYSA-N 2 2 264.344 1.915 10 10 CDCELP C[N@H+]1C[C@@H]2C[NH+](Cc3cc(F)ccc3O)C[C@]2(C)C1 ZINC000702404797 922542225 /nfs/dbraw/zinc/54/22/25/922542225.db2.gz DTTTYDGGCGLOIJ-DOMZBBRYSA-N 2 2 264.344 1.915 10 10 CDCELP C[NH+]1C[C@@H]2C[N@H+](Cc3cc(F)ccc3O)C[C@]2(C)C1 ZINC000702404797 922542234 /nfs/dbraw/zinc/54/22/34/922542234.db2.gz DTTTYDGGCGLOIJ-DOMZBBRYSA-N 2 2 264.344 1.915 10 10 CDCELP C[NH+]1C[C@@H]2C[N@@H+](Cc3cc(F)ccc3O)C[C@]2(C)C1 ZINC000702404797 922542242 /nfs/dbraw/zinc/54/22/42/922542242.db2.gz DTTTYDGGCGLOIJ-DOMZBBRYSA-N 2 2 264.344 1.915 10 10 CDCELP COc1cc(O)c(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)cc1OC ZINC000841059982 737188534 /nfs/dbraw/zinc/18/85/34/737188534.db2.gz ZFSKDMBNFXAAIK-ZYHUDNBSSA-N 2 2 280.368 1.497 10 10 CDCELP Oc1ccccc1C[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903973203 626168901 /nfs/dbraw/zinc/16/89/01/626168901.db2.gz BGDVTTOGGHITMM-AWEZNQCLSA-N 2 2 276.380 1.641 10 10 CDCELP COc1cc(O)c(C[NH2+][C@@H]2CC[NH2+][C@H]2C)cc1OC ZINC000863487032 740579291 /nfs/dbraw/zinc/57/92/91/740579291.db2.gz IXMWFFFPQMJDQW-GXSJLCMTSA-N 2 2 266.341 1.249 10 10 CDCELP COc1ccc(O)c(C[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000863483971 739769598 /nfs/dbraw/zinc/76/95/98/739769598.db2.gz FYPZMGYBCMHILO-ZYHUDNBSSA-N 2 2 250.342 1.631 10 10 CDCELP COc1ccc(N2CC[C@H]([NH2+][C@H]3CC[NH2+]C3)C2)cc1 ZINC000849350419 740801562 /nfs/dbraw/zinc/80/15/62/740801562.db2.gz OLWQWQTYXAMGDA-STQMWFEESA-N 2 2 261.369 1.225 10 10 CDCELP C[NH+](C)C1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000132212053 746219478 /nfs/dbraw/zinc/21/94/78/746219478.db2.gz UZMIVLQZBXKCRF-UHFFFAOYSA-N 2 2 278.352 1.647 10 10 CDCELP C[NH2+]C1CC[NH+](Cc2cc(OC)c(OC)cc2O)CC1 ZINC000843049589 746498368 /nfs/dbraw/zinc/49/83/68/746498368.db2.gz RYPHHQLMQUFLTP-UHFFFAOYSA-N 2 2 280.368 1.593 10 10 CDCELP CCOc1cccc(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)c1O ZINC000841057602 746814990 /nfs/dbraw/zinc/81/49/90/746814990.db2.gz AQDXALNKQWRXOD-AAEUAGOBSA-N 2 2 264.369 1.879 10 10 CDCELP Oc1cc2c(cc1C[NH2+][C@H]1CC[NH2+]C13CCC3)OCO2 ZINC000530177313 333526923 /nfs/dbraw/zinc/52/69/23/333526923.db2.gz FWGRKUBAVXELKN-AWEZNQCLSA-N 2 2 276.336 1.495 10 10 CDCELP Cc1cc(Cl)cc(CN2CC[N@H+](C)C[C@@H]2C[NH3+])c1O ZINC000843120286 753832825 /nfs/dbraw/zinc/83/28/25/753832825.db2.gz CXFDPCHVCQXPAT-ZDUSSCGKSA-N 2 2 283.803 1.429 10 10 CDCELP c1cc(C[NH2+][C@@]23CCC[C@H]2[NH2+]CC3)cc2c1OCC2 ZINC000873230779 752198830 /nfs/dbraw/zinc/19/88/30/752198830.db2.gz YAFQOUHVJKFLII-HZPDHXFCSA-N 2 2 258.365 1.996 10 10 CDCELP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2C)c1 ZINC000863545945 751304782 /nfs/dbraw/zinc/30/47/82/751304782.db2.gz BUUNODYMEQLPRE-OUJBWJOFSA-N 2 2 278.352 1.580 10 10 CDCELP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000841076734 751311028 /nfs/dbraw/zinc/31/10/28/751311028.db2.gz NRTSRYZAETYFJB-KBPBESRZSA-N 3 2 276.428 1.264 10 10 CDCELP Oc1ccc(F)cc1C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000827699670 753716498 /nfs/dbraw/zinc/71/64/98/753716498.db2.gz LFWPEKBAGQRURT-OAHLLOKOSA-N 2 2 294.370 1.562 10 10 CDCELP Oc1ccc(F)cc1C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000827699670 753716506 /nfs/dbraw/zinc/71/65/06/753716506.db2.gz LFWPEKBAGQRURT-OAHLLOKOSA-N 2 2 294.370 1.562 10 10 CDCELP Cc1cc(Cl)cc(CN2CC[N@@H+](C)C[C@@H]2C[NH3+])c1O ZINC000843120286 753832823 /nfs/dbraw/zinc/83/28/23/753832823.db2.gz CXFDPCHVCQXPAT-ZDUSSCGKSA-N 2 2 283.803 1.429 10 10 CDCELP CC[N@@H+](CCO)CC[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000187569440 357780130 /nfs/dbraw/zinc/78/01/30/357780130.db2.gz CCGKFDHHIMKHJT-UHFFFAOYSA-N 2 2 286.803 1.758 10 10 CDCELP COC[C@@H](C)C[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841045843 621589104 /nfs/dbraw/zinc/58/91/04/621589104.db2.gz RHXPBNIZFRTAKC-WFASDCNBSA-N 2 2 265.401 1.625 10 10 CDCELP COc1ccc(N2CC[C@H]([NH2+][C@@H]3C[NH2+]C[C@H](C)C3)C2)cc1 ZINC000849350513 755934776 /nfs/dbraw/zinc/93/47/76/755934776.db2.gz OXMSQXMMGDHHGW-ILXRZTDVSA-N 2 2 289.423 1.862 10 10 CDCELP CCOc1cccc(C[NH2+]C[C@@H]2CCC[N@@H+]2C)c1O ZINC000227440390 333282977 /nfs/dbraw/zinc/28/29/77/333282977.db2.gz IZVPVKSOGGRFCB-ZDUSSCGKSA-N 2 2 264.369 1.975 10 10 CDCELP CCOc1cccc(C[NH2+]C[C@@H]2CCC[N@H+]2C)c1O ZINC000227440390 333282979 /nfs/dbraw/zinc/28/29/79/333282979.db2.gz IZVPVKSOGGRFCB-ZDUSSCGKSA-N 2 2 264.369 1.975 10 10 CDCELP COc1ccc(O)c(C[N@@H+]2C[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000720767580 774666360 /nfs/dbraw/zinc/66/63/60/774666360.db2.gz JJNIENRAVZMCQH-CYBMUJFWSA-N 2 2 250.342 1.570 10 10 CDCELP COc1ccc(O)c(C[N@H+]2C[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000720767580 774666363 /nfs/dbraw/zinc/66/63/63/774666363.db2.gz JJNIENRAVZMCQH-CYBMUJFWSA-N 2 2 250.342 1.570 10 10 CDCELP COc1ccc(N2CC[NH+]([C@H](C[NH3+])C(C)C)CC2)cc1 ZINC000019270020 136576966 /nfs/dbraw/zinc/57/69/66/136576966.db2.gz MENQBIWQYNGESB-MRXNPFEDSA-N 2 2 277.412 1.801 10 10 CDCELP CC[N@@H+]1CCO[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC000071880818 176288184 /nfs/dbraw/zinc/28/81/84/176288184.db2.gz SDNLRYOJIYCQJO-HNNXBMFYSA-N 2 2 278.396 1.814 10 10 CDCELP CC[N@H+]1CCO[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC000071880818 176288186 /nfs/dbraw/zinc/28/81/86/176288186.db2.gz SDNLRYOJIYCQJO-HNNXBMFYSA-N 2 2 278.396 1.814 10 10 CDCELP CCOc1ccc(C[N@@H+]2C[C@H]([NH3+])C(C)(C)C2)c(O)c1 ZINC000903984524 626173560 /nfs/dbraw/zinc/17/35/60/626173560.db2.gz GKHMJOBQEOIKIV-AWEZNQCLSA-N 2 2 264.369 1.960 10 10 CDCELP CCOc1ccc(C[N@H+]2C[C@H]([NH3+])C(C)(C)C2)c(O)c1 ZINC000903984524 626173561 /nfs/dbraw/zinc/17/35/61/626173561.db2.gz GKHMJOBQEOIKIV-AWEZNQCLSA-N 2 2 264.369 1.960 10 10 CDCELP [NH3+]CCCOCC[NH2+]Cc1cccc(Cl)c1O ZINC000863484989 929558981 /nfs/dbraw/zinc/55/89/81/929558981.db2.gz QZXUWRFSBPONPU-UHFFFAOYSA-N 2 2 258.749 1.501 10 10 CDCELP CCOc1ccc(O)c(C[N@@H+]2C[C@H]([NH3+])C(C)(C)C2)c1 ZINC000903984680 626173686 /nfs/dbraw/zinc/17/36/86/626173686.db2.gz RJVXNXQSBGLKHL-AWEZNQCLSA-N 2 2 264.369 1.960 10 10 CDCELP CCOc1ccc(O)c(C[N@H+]2C[C@H]([NH3+])C(C)(C)C2)c1 ZINC000903984680 626173687 /nfs/dbraw/zinc/17/36/87/626173687.db2.gz RJVXNXQSBGLKHL-AWEZNQCLSA-N 2 2 264.369 1.960 10 10 CDCELP Oc1ccc(Br)cc1C[NH2+]CC12CC(C1)C[NH2+]2 ZINC000853246949 927990876 /nfs/dbraw/zinc/99/08/76/927990876.db2.gz WZWMPHGGPSGWSR-UHFFFAOYSA-N 2 2 297.196 1.996 10 10 CDCELP CC(=O)c1cc(F)cc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c1O ZINC000193650848 375890029 /nfs/dbraw/zinc/89/00/29/375890029.db2.gz YKTJDRMVLWQCCP-BETUJISGSA-N 2 2 292.354 1.727 10 10 CDCELP CC(=O)c1cc(F)cc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c1O ZINC000193650848 375890031 /nfs/dbraw/zinc/89/00/31/375890031.db2.gz YKTJDRMVLWQCCP-BETUJISGSA-N 2 2 292.354 1.727 10 10 CDCELP CC(=O)c1cc(F)cc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1O ZINC000193650848 375890034 /nfs/dbraw/zinc/89/00/34/375890034.db2.gz YKTJDRMVLWQCCP-BETUJISGSA-N 2 2 292.354 1.727 10 10 CDCELP CC(=O)c1cc(F)cc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1O ZINC000193650848 375890038 /nfs/dbraw/zinc/89/00/38/375890038.db2.gz YKTJDRMVLWQCCP-BETUJISGSA-N 2 2 292.354 1.727 10 10 CDCELP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000923413510 785872583 /nfs/dbraw/zinc/87/25/83/785872583.db2.gz QAUHYQHYMWCQIK-UKRRQHHQSA-N 2 2 275.396 1.445 10 10 CDCELP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000923413510 785872584 /nfs/dbraw/zinc/87/25/84/785872584.db2.gz QAUHYQHYMWCQIK-UKRRQHHQSA-N 2 2 275.396 1.445 10 10 CDCELP Cc1cc(Cl)cc(C[NH2+]C[C@@H]2C[NH2+]CCO2)c1O ZINC000841098141 786046562 /nfs/dbraw/zinc/04/65/62/786046562.db2.gz DJFBJLVMCHJVMU-LBPRGKRZSA-N 2 2 270.760 1.432 10 10 CDCELP COc1cccc(O)c1C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000863482395 786151814 /nfs/dbraw/zinc/15/18/14/786151814.db2.gz HCHZZUCOBXPVNY-AWEZNQCLSA-N 2 2 262.353 1.775 10 10 CDCELP Cc1cc(O)c(C[N@H+](C)C[C@H](O)C[NH3+])c(Cl)c1 ZINC000841091716 788678985 /nfs/dbraw/zinc/67/89/85/788678985.db2.gz DLQWKLYGKUIHNV-SECBINFHSA-N 2 2 258.749 1.105 10 10 CDCELP Cc1cc(O)c(C[N@@H+](C)C[C@H](O)C[NH3+])c(Cl)c1 ZINC000841091716 788679018 /nfs/dbraw/zinc/67/90/18/788679018.db2.gz DLQWKLYGKUIHNV-SECBINFHSA-N 2 2 258.749 1.105 10 10 CDCELP COc1cccc(C[NH2+][C@@H]2CCCC[NH2+]C2)c1O ZINC000841091536 936975272 /nfs/dbraw/zinc/97/52/72/936975272.db2.gz ZYGWLJGBVULCKH-GFCCVEGCSA-N 2 2 250.342 1.633 10 10 CDCELP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](Cc1cccc(F)c1O)C2 ZINC000863653024 929584224 /nfs/dbraw/zinc/58/42/24/929584224.db2.gz YDJUVSHJXLDKRE-GASCZTMLSA-N 2 2 264.344 1.963 10 10 CDCELP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](Cc1cccc(F)c1O)C2 ZINC000863653024 929584232 /nfs/dbraw/zinc/58/42/32/929584232.db2.gz YDJUVSHJXLDKRE-GASCZTMLSA-N 2 2 264.344 1.963 10 10 CDCELP COc1cccc(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)c1O ZINC000841059051 812537240 /nfs/dbraw/zinc/53/72/40/812537240.db2.gz KVLNMUCVNULAPG-JQWIXIFHSA-N 2 2 250.342 1.488 10 10 CDCELP COc1cc(O)c(C[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)cc1OC ZINC000863485302 814038694 /nfs/dbraw/zinc/03/86/94/814038694.db2.gz YNYNMIDRQVDQFM-ZYHUDNBSSA-N 2 2 280.368 1.640 10 10 CDCELP Cc1cc(O)c(C[NH2+]C[C@H]2C[NH2+]CCCO2)c(Cl)c1 ZINC000841085607 817871922 /nfs/dbraw/zinc/87/19/22/817871922.db2.gz IMOIOVMOHKCPDC-LLVKDONJSA-N 2 2 284.787 1.822 10 10 CDCELP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001345104207 964576542 /nfs/dbraw/zinc/57/65/42/964576542.db2.gz LGLUWNYCKAKXNU-CHWSQXEVSA-N 3 2 294.418 1.403 10 10 CDCELP C[C@H]([NH2+]CC[NH+]1CCCC1)c1cc(O)ccc1O ZINC000020126887 171011535 /nfs/dbraw/zinc/01/15/35/171011535.db2.gz GPMMIIPHIJDYGT-NSHDSACASA-N 2 2 250.342 1.844 10 10 CDCELP CC[N@H+](Cc1ccc2c(c1)CCN2C)[C@@H]1CC[NH2+]C1 ZINC000071312328 176119186 /nfs/dbraw/zinc/11/91/86/176119186.db2.gz LEEGNEYCSJMZMW-OAHLLOKOSA-N 2 2 259.397 1.863 10 10 CDCELP CC[N@@H+](Cc1ccc2c(c1)CCN2C)[C@@H]1CC[NH2+]C1 ZINC000071312328 176119188 /nfs/dbraw/zinc/11/91/88/176119188.db2.gz LEEGNEYCSJMZMW-OAHLLOKOSA-N 2 2 259.397 1.863 10 10 CDCELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000756106708 576977514 /nfs/dbraw/zinc/97/75/14/576977514.db2.gz MKKJNZXDIXOBBS-BXUZGUMPSA-N 2 2 265.376 1.931 10 10 CDCELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000756106708 576977515 /nfs/dbraw/zinc/97/75/15/576977515.db2.gz MKKJNZXDIXOBBS-BXUZGUMPSA-N 2 2 265.376 1.931 10 10 CDCELP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cccc(OC)c1O ZINC000863483322 820769287 /nfs/dbraw/zinc/76/92/87/820769287.db2.gz MTMBSMOHBBMVDY-NWDGAFQWSA-N 2 2 250.342 1.631 10 10 CDCELP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(F)c2O)C1 ZINC000272258079 365157999 /nfs/dbraw/zinc/15/79/99/365157999.db2.gz JPRPAYOZRQWGMR-NSHDSACASA-N 2 2 252.333 1.915 10 10 CDCELP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000272258079 365158007 /nfs/dbraw/zinc/15/80/07/365158007.db2.gz JPRPAYOZRQWGMR-NSHDSACASA-N 2 2 252.333 1.915 10 10 CDCELP COc1cccc(O)c1C[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC000863483434 823843844 /nfs/dbraw/zinc/84/38/44/823843844.db2.gz AXMKMWGCBMDVON-QWRGUYRKSA-N 2 2 250.342 1.631 10 10 CDCELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C1=CC(=O)CS1 ZINC000855346449 827410425 /nfs/dbraw/zinc/41/04/25/827410425.db2.gz CLJTWCOVYQXAJL-NSHDSACASA-N 2 2 299.440 1.456 10 10 CDCELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C1=CC(=O)CS1 ZINC000855346449 827410432 /nfs/dbraw/zinc/41/04/32/827410432.db2.gz CLJTWCOVYQXAJL-NSHDSACASA-N 2 2 299.440 1.456 10 10 CDCELP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000841058443 828088829 /nfs/dbraw/zinc/08/88/29/828088829.db2.gz HDOYRXVOFVLJRO-GXSJLCMTSA-N 2 2 264.325 1.209 10 10 CDCELP COc1ccc(N2CC[NH+](C(C)(C)C[NH3+])CC2)cc1 ZINC000038960057 358176806 /nfs/dbraw/zinc/17/68/06/358176806.db2.gz KSDGFWRHXNDQNK-UHFFFAOYSA-N 2 2 263.385 1.555 10 10 CDCELP COc1cccc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)c1O ZINC000530176692 271132649 /nfs/dbraw/zinc/13/26/49/271132649.db2.gz FVBIWYFNFOVGEQ-CYBMUJFWSA-N 2 2 262.353 1.775 10 10 CDCELP CN(C)c1ccc(/C=C\C[NH2+]C[C@H]2C[NH2+]CCO2)cc1 ZINC000841100262 630579486 /nfs/dbraw/zinc/57/94/86/630579486.db2.gz ABDICNRIKKXFNB-QGZUEGPWSA-N 2 2 275.396 1.344 10 10 CDCELP CN(Cc1[nH+]ccn1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000732411209 575089319 /nfs/dbraw/zinc/08/93/19/575089319.db2.gz UOVNUXAYUDTCNX-UHFFFAOYSA-N 2 2 288.395 1.997 10 10 CDCELP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000756103378 575745069 /nfs/dbraw/zinc/74/50/69/575745069.db2.gz RVSKRQXJJHMOJL-WMLDXEAASA-N 2 2 289.423 1.563 10 10 CDCELP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000756103378 575745072 /nfs/dbraw/zinc/74/50/72/575745072.db2.gz RVSKRQXJJHMOJL-WMLDXEAASA-N 2 2 289.423 1.563 10 10 CDCELP C[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(F)cc1O ZINC000854227033 844841775 /nfs/dbraw/zinc/84/17/75/844841775.db2.gz KQQZCTNXJQQOQF-NAUIOFCNSA-N 2 2 250.317 1.934 10 10 CDCELP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+])c1 ZINC000817978009 845102494 /nfs/dbraw/zinc/10/24/94/845102494.db2.gz TVEHEGJKPGVKMD-GUBZILKMSA-N 2 2 266.341 1.565 10 10 CDCELP CN(C)c1ccc(C[NH2+]CC23CC(C2)C[NH2+]3)cc1F ZINC000853246733 845223374 /nfs/dbraw/zinc/22/33/74/845223374.db2.gz RHJQQHVOGHPDTP-UHFFFAOYSA-N 2 2 263.360 1.733 10 10 CDCELP COc1ccc(O)c(C[NH2+][C@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000863483969 929558823 /nfs/dbraw/zinc/55/88/23/929558823.db2.gz FYPZMGYBCMHILO-JQWIXIFHSA-N 2 2 250.342 1.631 10 10 CDCELP CC[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@H]1CC[NH2+]C1 ZINC000923427460 618335154 /nfs/dbraw/zinc/33/51/54/618335154.db2.gz ZBFRKNIWCSXFGB-KRWDZBQOSA-N 2 2 289.423 1.707 10 10 CDCELP CC[N@@H+](Cc1ccc(N2CCOCC2)cc1)[C@H]1CC[NH2+]C1 ZINC000923427460 618335160 /nfs/dbraw/zinc/33/51/60/618335160.db2.gz ZBFRKNIWCSXFGB-KRWDZBQOSA-N 2 2 289.423 1.707 10 10 CDCELP CCOc1ccc(O)c(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000841058409 697831816 /nfs/dbraw/zinc/83/18/16/697831816.db2.gz GIBKZOMPABSTAL-SMDDNHRTSA-N 2 2 264.369 1.879 10 10 CDCELP COc1c(O)c(C[NH2+][C@@H]2CCCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000841088617 697844596 /nfs/dbraw/zinc/84/45/96/697844596.db2.gz BBOIGHIEOYHZFV-LLVKDONJSA-N 2 2 295.339 1.541 10 10 CDCELP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)c1 ZINC000273444828 365496616 /nfs/dbraw/zinc/49/66/16/365496616.db2.gz ZTJGYZUKVCLJPM-AAEUAGOBSA-N 2 2 292.379 1.924 10 10 CDCELP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)c1 ZINC000273444828 365496622 /nfs/dbraw/zinc/49/66/22/365496622.db2.gz ZTJGYZUKVCLJPM-AAEUAGOBSA-N 2 2 292.379 1.924 10 10 CDCELP COc1ccc(N(C)CC[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000061275758 524353135 /nfs/dbraw/zinc/35/31/35/524353135.db2.gz IASGITSIUUJMRM-UHFFFAOYSA-N 2 2 263.385 1.427 10 10 CDCELP COc1ccc(N(C)CC[N@H+]2CCC[NH2+]CC2)cc1 ZINC000061275758 524353141 /nfs/dbraw/zinc/35/31/41/524353141.db2.gz IASGITSIUUJMRM-UHFFFAOYSA-N 2 2 263.385 1.427 10 10 CDCELP COc1ccc(N2CC[NH+](CCC[NH2+]C3CC3)CC2)cc1 ZINC000037613583 710280129 /nfs/dbraw/zinc/28/01/29/710280129.db2.gz JWGYVFCLOIETNN-UHFFFAOYSA-N 2 2 289.423 1.959 10 10 CDCELP CCOc1ccc(O)c(C[N@@H+]2CC[C@H]([NH3+])[C@@H]2C)c1 ZINC000841024791 712059630 /nfs/dbraw/zinc/05/96/30/712059630.db2.gz SOOSICRGEHBFNV-GWCFXTLKSA-N 2 2 250.342 1.712 10 10 CDCELP CCOc1ccc(O)c(C[N@H+]2CC[C@H]([NH3+])[C@@H]2C)c1 ZINC000841024791 712059633 /nfs/dbraw/zinc/05/96/33/712059633.db2.gz SOOSICRGEHBFNV-GWCFXTLKSA-N 2 2 250.342 1.712 10 10 CDCELP C[C@H]1C[C@H]([NH3+])C[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000923413513 923817223 /nfs/dbraw/zinc/81/72/23/923817223.db2.gz QAUHYQHYMWCQIK-ZFWWWQNUSA-N 2 2 275.396 1.445 10 10 CDCELP C[C@H]1C[C@H]([NH3+])C[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000923413513 923817233 /nfs/dbraw/zinc/81/72/33/923817233.db2.gz QAUHYQHYMWCQIK-ZFWWWQNUSA-N 2 2 275.396 1.445 10 10 CDCELP COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000925782365 932939169 /nfs/dbraw/zinc/93/91/69/932939169.db2.gz FRUCIITWOOXSGT-GIPNMCIBSA-N 2 2 250.342 1.659 10 10 CDCELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000756103370 575745080 /nfs/dbraw/zinc/74/50/80/575745080.db2.gz RVSKRQXJJHMOJL-RHSMWYFYSA-N 2 2 289.423 1.563 10 10 CDCELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000756103370 575745083 /nfs/dbraw/zinc/74/50/83/575745083.db2.gz RVSKRQXJJHMOJL-RHSMWYFYSA-N 2 2 289.423 1.563 10 10 CDCELP Cc1cc(O)c(C[NH2+]C[C@@H]2C[NH2+]CCCO2)c(Cl)c1 ZINC000841085608 936974751 /nfs/dbraw/zinc/97/47/51/936974751.db2.gz IMOIOVMOHKCPDC-NSHDSACASA-N 2 2 284.787 1.822 10 10 CDCELP COc1ccc(O)c(C[NH2+][C@H]2CCCC[NH2+]C2)c1 ZINC000841089952 936975253 /nfs/dbraw/zinc/97/52/53/936975253.db2.gz LUTKVYKTVMXVFB-LBPRGKRZSA-N 2 2 250.342 1.633 10 10 CDCELP CCC[N@H+](Cc1ccc(O)c(O)c1)[C@@H]1CC[NH2+]C1 ZINC000071314696 176120827 /nfs/dbraw/zinc/12/08/27/176120827.db2.gz BHNSRYMJELENDP-GFCCVEGCSA-N 2 2 250.342 1.672 10 10 CDCELP CCC[N@@H+](Cc1ccc(O)c(O)c1)[C@@H]1CC[NH2+]C1 ZINC000071314696 176120829 /nfs/dbraw/zinc/12/08/29/176120829.db2.gz BHNSRYMJELENDP-GFCCVEGCSA-N 2 2 250.342 1.672 10 10 CDCELP COC[C@@H](C)C[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841045842 621588608 /nfs/dbraw/zinc/58/86/08/621588608.db2.gz RHXPBNIZFRTAKC-SWLSCSKDSA-N 2 2 265.401 1.625 10 10 CDCELP Oc1ccc(F)cc1C[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903975016 626169219 /nfs/dbraw/zinc/16/92/19/626169219.db2.gz YPYCSZDVEVLHSB-AWEZNQCLSA-N 2 2 294.370 1.780 10 10 CDCELP COc1cc(O)c(C[NH2+][C@H]2CCCC[NH2+]C2)cc1OC ZINC000841090815 677801156 /nfs/dbraw/zinc/80/11/56/677801156.db2.gz RBRUVTWCJOOANY-LBPRGKRZSA-N 2 2 280.368 1.641 10 10 CDCELP COc1cc(O)c(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)cc1OC ZINC000841059981 678176895 /nfs/dbraw/zinc/17/68/95/678176895.db2.gz ZFSKDMBNFXAAIK-PWSUYJOCSA-N 2 2 280.368 1.497 10 10 CDCELP COc1ccc(N2CC[C@H]([NH2+][C@H]3C[NH2+]C[C@H](C)C3)C2)cc1 ZINC000849350515 679127426 /nfs/dbraw/zinc/12/74/26/679127426.db2.gz OXMSQXMMGDHHGW-QLFBSQMISA-N 2 2 289.423 1.862 10 10 CDCELP COc1cc(O)c(C[NH2+][C@@H]2C[NH2+]C[C@H]2C)cc1OC ZINC000903963721 626171113 /nfs/dbraw/zinc/17/11/13/626171113.db2.gz GZCVLKBWBOTERX-MWLCHTKSSA-N 2 2 266.341 1.107 10 10 CDCELP COc1cccc(C[NH2+][C@H]2CC[NH2+]C23CCC3)c1O ZINC000530176694 271132434 /nfs/dbraw/zinc/13/24/34/271132434.db2.gz FVBIWYFNFOVGEQ-ZDUSSCGKSA-N 2 2 262.353 1.775 10 10 CDCELP [NH3+]C[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000843047778 685551459 /nfs/dbraw/zinc/55/14/59/685551459.db2.gz UJXJEDQAZUUOFN-QGZVFWFLSA-N 2 2 289.423 1.836 10 10 CDCELP [NH3+]C[C@H]1CCCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000843047778 685551466 /nfs/dbraw/zinc/55/14/66/685551466.db2.gz UJXJEDQAZUUOFN-QGZVFWFLSA-N 2 2 289.423 1.836 10 10 CDCELP [NH3+]CC[C@@H]([NH3+])c1cc(Br)cc(F)c1O ZINC000306722516 362285017 /nfs/dbraw/zinc/28/50/17/362285017.db2.gz IXPZCRBPAXWFDY-MRVPVSSYSA-N 2 2 263.110 1.642 10 10 CDCELP CCC[C@H](C[NH3+])[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000019403633 136577021 /nfs/dbraw/zinc/57/70/21/136577021.db2.gz XSBZDFCZFIOSJR-OAHLLOKOSA-N 2 2 277.412 1.945 10 10 CDCELP COCC[NH2+]C1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000844900513 688505876 /nfs/dbraw/zinc/50/58/76/688505876.db2.gz QBXVDYSMQRCLIE-UHFFFAOYSA-N 2 2 282.359 1.732 10 10 CDCELP [NH3+]CC12CC(C1)C[N@@H+]2Cc1ccc(N2CCOCC2)cc1 ZINC000923389562 693282991 /nfs/dbraw/zinc/28/29/91/693282991.db2.gz DJAKNHSQZHZRCP-UHFFFAOYSA-N 2 2 287.407 1.446 10 10 CDCELP [NH3+]CC12CC(C1)C[N@H+]2Cc1ccc(N2CCOCC2)cc1 ZINC000923389562 693282996 /nfs/dbraw/zinc/28/29/96/693282996.db2.gz DJAKNHSQZHZRCP-UHFFFAOYSA-N 2 2 287.407 1.446 10 10 CDCELP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cc(OC)ccc1O ZINC000863484405 694724973 /nfs/dbraw/zinc/72/49/73/694724973.db2.gz XZCVJKCWVUHAPE-QWHCGFSZSA-N 2 2 250.342 1.631 10 10 CDCELP C[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(F)cc1O ZINC000863541767 723127724 /nfs/dbraw/zinc/12/77/24/723127724.db2.gz PELHBNRJWCRIIU-SNVBAGLBSA-N 2 2 268.332 1.690 10 10 CDCELP C[N@@H+](Cc1cccc(F)c1O)C[C@@H]1CC[NH+](C)C1 ZINC000160236406 264237329 /nfs/dbraw/zinc/23/73/29/264237329.db2.gz VWLFKJLEMZMUQF-LLVKDONJSA-N 2 2 252.333 1.915 10 10 CDCELP C[N@H+](Cc1cccc(F)c1O)C[C@@H]1CC[NH+](C)C1 ZINC000160236406 264237331 /nfs/dbraw/zinc/23/73/31/264237331.db2.gz VWLFKJLEMZMUQF-LLVKDONJSA-N 2 2 252.333 1.915 10 10 CDCELP C[NH+](Cc1cccc(F)c1O)C[C@@H]1CC[N@H+](C)C1 ZINC000160236406 264237333 /nfs/dbraw/zinc/23/73/33/264237333.db2.gz VWLFKJLEMZMUQF-LLVKDONJSA-N 2 2 252.333 1.915 10 10 CDCELP C[NH+](Cc1cccc(F)c1O)C[C@@H]1CC[N@@H+](C)C1 ZINC000160236406 264237336 /nfs/dbraw/zinc/23/73/36/264237336.db2.gz VWLFKJLEMZMUQF-LLVKDONJSA-N 2 2 252.333 1.915 10 10 CDCELP COc1cccc(O)c1C[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000863483433 725267480 /nfs/dbraw/zinc/26/74/80/725267480.db2.gz AXMKMWGCBMDVON-MNOVXSKESA-N 2 2 250.342 1.631 10 10 CDCELP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000925784827 617706756 /nfs/dbraw/zinc/70/67/56/617706756.db2.gz OGYPQHVMGZBAHI-GBIKHYSHSA-N 2 2 278.352 1.437 10 10 CDCELP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000923413507 726354833 /nfs/dbraw/zinc/35/48/33/726354833.db2.gz QAUHYQHYMWCQIK-HIFRSBDPSA-N 2 2 275.396 1.445 10 10 CDCELP C[C@@H]1C[C@H]([NH3+])C[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000923413507 726354836 /nfs/dbraw/zinc/35/48/36/726354836.db2.gz QAUHYQHYMWCQIK-HIFRSBDPSA-N 2 2 275.396 1.445 10 10 CDCELP COc1cc(O)c(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)cc1OC ZINC000841059980 727113191 /nfs/dbraw/zinc/11/31/91/727113191.db2.gz ZFSKDMBNFXAAIK-JQWIXIFHSA-N 2 2 280.368 1.497 10 10 CDCELP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817941859 930638658 /nfs/dbraw/zinc/63/86/58/930638658.db2.gz LHGRZEIROGRUSC-GOEBONIOSA-N 3 2 294.443 1.096 10 10 CDCELP C[C@H]([NH2+]CC[NH+]1CCCC1)c1ccc(O)cc1O ZINC000020126856 171012253 /nfs/dbraw/zinc/01/22/53/171012253.db2.gz XSZHLPHYDRDMPP-NSHDSACASA-N 2 2 250.342 1.844 10 10 CDCELP CC[N@@H+]1CCO[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC000071880817 176288201 /nfs/dbraw/zinc/28/82/01/176288201.db2.gz SDNLRYOJIYCQJO-OAHLLOKOSA-N 2 2 278.396 1.814 10 10 CDCELP CC[N@H+]1CCO[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC000071880817 176288203 /nfs/dbraw/zinc/28/82/03/176288203.db2.gz SDNLRYOJIYCQJO-OAHLLOKOSA-N 2 2 278.396 1.814 10 10 CDCELP CCO[C@@H](C[NH2+][C@H]1CCc2cccc(O)c21)C[NH+](C)C ZINC000926963495 621634301 /nfs/dbraw/zinc/63/43/01/621634301.db2.gz UOUDIGXRFLFCEA-KBPBESRZSA-N 2 2 278.396 1.936 10 10 CDCELP Oc1c(F)cccc1C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000165046212 331305734 /nfs/dbraw/zinc/30/57/34/331305734.db2.gz XATLQAJHGYNRGK-OLZOCXBDSA-N 2 2 280.343 1.484 10 10 CDCELP Oc1c(F)cccc1C[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000165046212 331305735 /nfs/dbraw/zinc/30/57/35/331305735.db2.gz XATLQAJHGYNRGK-OLZOCXBDSA-N 2 2 280.343 1.484 10 10 CDCELP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000221164005 1166542101 /nfs/dbraw/zinc/54/21/01/1166542101.db2.gz RCQBDHDICQPFDE-KRWDZBQOSA-N 2 2 289.423 1.707 10 10 CDCELP C[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000221164005 1166542109 /nfs/dbraw/zinc/54/21/09/1166542109.db2.gz RCQBDHDICQPFDE-KRWDZBQOSA-N 2 2 289.423 1.707 10 10 CDCELP CN(C)c1ccc(/C=C/CN2CC[N@H+](C)C[C@H]2C[NH3+])cc1 ZINC000843121643 738063230 /nfs/dbraw/zinc/06/32/30/738063230.db2.gz FWFGBIQWRMMBGJ-LAQIPUCWSA-N 2 2 288.439 1.341 10 10 CDCELP CN(C)c1ccc(/C=C/CN2CC[N@@H+](C)C[C@H]2C[NH3+])cc1 ZINC000843121643 738063232 /nfs/dbraw/zinc/06/32/32/738063232.db2.gz FWFGBIQWRMMBGJ-LAQIPUCWSA-N 2 2 288.439 1.341 10 10 CDCELP C[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(F)cc1O ZINC000854227031 741109044 /nfs/dbraw/zinc/10/90/44/741109044.db2.gz KQQZCTNXJQQOQF-IPWFMCSPSA-N 2 2 250.317 1.934 10 10 CDCELP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2cccc(F)c2O)CC1 ZINC000164940557 742811408 /nfs/dbraw/zinc/81/14/08/742811408.db2.gz FRQBKIXSRFPEKN-UHFFFAOYSA-N 2 2 295.402 1.647 10 10 CDCELP COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2C)c1 ZINC000863546831 746233582 /nfs/dbraw/zinc/23/35/82/746233582.db2.gz MZVAZPPUUMRBEM-OUJBWJOFSA-N 2 2 250.342 1.802 10 10 CDCELP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+])c1 ZINC000817978008 751758797 /nfs/dbraw/zinc/75/87/97/751758797.db2.gz TVEHEGJKPGVKMD-BBBLOLIVSA-N 2 2 266.341 1.565 10 10 CDCELP CCOc1ccc(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)c(O)c1 ZINC000841059525 750651610 /nfs/dbraw/zinc/65/16/10/750651610.db2.gz TZEWEDAERRXRIC-FZMZJTMJSA-N 2 2 264.369 1.879 10 10 CDCELP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)c1cc(C(=O)OC)ccc1O ZINC000863543444 750818548 /nfs/dbraw/zinc/81/85/48/750818548.db2.gz OYDWRBKQQAPMOQ-DDTOSNHZSA-N 2 2 292.379 1.970 10 10 CDCELP C[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(F)c2O)C1 ZINC000272258076 365158217 /nfs/dbraw/zinc/15/82/17/365158217.db2.gz JPRPAYOZRQWGMR-LLVKDONJSA-N 2 2 252.333 1.915 10 10 CDCELP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000272258076 365158222 /nfs/dbraw/zinc/15/82/22/365158222.db2.gz JPRPAYOZRQWGMR-LLVKDONJSA-N 2 2 252.333 1.915 10 10 CDCELP COc1cccc(C[NH2+][C@H]2CCCC[NH2+]C2)c1O ZINC000841091537 759034846 /nfs/dbraw/zinc/03/48/46/759034846.db2.gz ZYGWLJGBVULCKH-LBPRGKRZSA-N 2 2 250.342 1.633 10 10 CDCELP COc1ccc(O)c(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000841058974 769601898 /nfs/dbraw/zinc/60/18/98/769601898.db2.gz ITXIOKSSEUZPER-GXFFZTMASA-N 2 2 250.342 1.488 10 10 CDCELP C[NH2+]CCOCC[N@H+](C)Cc1cccc(Cl)c1O ZINC000863647542 772242609 /nfs/dbraw/zinc/24/26/09/772242609.db2.gz PGBCSXHFGRQWMQ-UHFFFAOYSA-N 2 2 272.776 1.713 10 10 CDCELP C[NH2+]CCOCC[N@@H+](C)Cc1cccc(Cl)c1O ZINC000863647542 772242627 /nfs/dbraw/zinc/24/26/27/772242627.db2.gz PGBCSXHFGRQWMQ-UHFFFAOYSA-N 2 2 272.776 1.713 10 10 CDCELP Cc1cc(O)c(C[N@H+](C)C[C@@H](O)C[NH3+])c(Cl)c1 ZINC000841091717 774862180 /nfs/dbraw/zinc/86/21/80/774862180.db2.gz DLQWKLYGKUIHNV-VIFPVBQESA-N 2 2 258.749 1.105 10 10 CDCELP Cc1cc(O)c(C[N@@H+](C)C[C@@H](O)C[NH3+])c(Cl)c1 ZINC000841091717 774862182 /nfs/dbraw/zinc/86/21/82/774862182.db2.gz DLQWKLYGKUIHNV-VIFPVBQESA-N 2 2 258.749 1.105 10 10 CDCELP C[C@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(F)cc1O ZINC000863541765 775598901 /nfs/dbraw/zinc/59/89/01/775598901.db2.gz PELHBNRJWCRIIU-JTQLQIEISA-N 2 2 268.332 1.690 10 10 CDCELP CCC[N@H+](Cc1ccc(O)c(O)c1)[C@H]1CC[NH2+]C1 ZINC000071314697 176120913 /nfs/dbraw/zinc/12/09/13/176120913.db2.gz BHNSRYMJELENDP-LBPRGKRZSA-N 2 2 250.342 1.672 10 10 CDCELP CCC[N@@H+](Cc1ccc(O)c(O)c1)[C@H]1CC[NH2+]C1 ZINC000071314697 176120915 /nfs/dbraw/zinc/12/09/15/176120915.db2.gz BHNSRYMJELENDP-LBPRGKRZSA-N 2 2 250.342 1.672 10 10 CDCELP c1cc(C[NH2+][C@H]2CC[NH2+]C23CCC3)cc2c1OCC2 ZINC000530176068 333526635 /nfs/dbraw/zinc/52/66/35/333526635.db2.gz AYTXAOQBEBLCJV-HNNXBMFYSA-N 2 2 258.365 1.996 10 10 CDCELP CCOc1ccc(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)c(O)c1 ZINC000841059526 621609015 /nfs/dbraw/zinc/60/90/15/621609015.db2.gz TZEWEDAERRXRIC-RISCZKNCSA-N 2 2 264.369 1.879 10 10 CDCELP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000756106718 576977399 /nfs/dbraw/zinc/97/73/99/576977399.db2.gz MKKJNZXDIXOBBS-FZMZJTMJSA-N 2 2 265.376 1.931 10 10 CDCELP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000756106718 576977401 /nfs/dbraw/zinc/97/74/01/576977401.db2.gz MKKJNZXDIXOBBS-FZMZJTMJSA-N 2 2 265.376 1.931 10 10 CDCELP Oc1cc2c(cc1C[NH2+][C@@H]1CCCC[NH2+]C1)OCO2 ZINC000841091327 936975348 /nfs/dbraw/zinc/97/53/48/936975348.db2.gz VDFAHCIJJVAYDR-LLVKDONJSA-N 2 2 264.325 1.353 10 10 CDCELP [NH3+]CC[C@@H]([NH3+])c1c(O)c(Br)ccc1F ZINC000306718377 362248568 /nfs/dbraw/zinc/24/85/68/362248568.db2.gz HFSCYLINKMVOGZ-SSDOTTSWSA-N 2 2 263.110 1.642 10 10 CDCELP COc1ccc(O)c(C[NH2+][C@@H]2CC[NH2+]C23CCC3)c1 ZINC000530179223 368146546 /nfs/dbraw/zinc/14/65/46/368146546.db2.gz WDLSOKYCFMWFOP-CQSZACIVSA-N 2 2 262.353 1.775 10 10 CDCELP C[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1cc(F)ccc1O ZINC000854227353 786810276 /nfs/dbraw/zinc/81/02/76/786810276.db2.gz MQTCKBPDVWXJEO-IPWFMCSPSA-N 2 2 250.317 1.934 10 10 CDCELP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000923413505 787187508 /nfs/dbraw/zinc/18/75/08/787187508.db2.gz QAUHYQHYMWCQIK-DZGCQCFKSA-N 2 2 275.396 1.445 10 10 CDCELP C[C@H]1C[C@@H]([NH3+])C[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000923413505 787187513 /nfs/dbraw/zinc/18/75/13/787187513.db2.gz QAUHYQHYMWCQIK-DZGCQCFKSA-N 2 2 275.396 1.445 10 10 CDCELP COc1ccc(O)c(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)c1 ZINC000841058977 794010572 /nfs/dbraw/zinc/01/05/72/794010572.db2.gz ITXIOKSSEUZPER-MFKMUULPSA-N 2 2 250.342 1.488 10 10 CDCELP COc1ccc(O)c(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000841058969 794150234 /nfs/dbraw/zinc/15/02/34/794150234.db2.gz ITXIOKSSEUZPER-GWCFXTLKSA-N 2 2 250.342 1.488 10 10 CDCELP CC[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@@H]1CC[NH2+]C1 ZINC000923427461 618334273 /nfs/dbraw/zinc/33/42/73/618334273.db2.gz ZBFRKNIWCSXFGB-QGZVFWFLSA-N 2 2 289.423 1.707 10 10 CDCELP CC[N@@H+](Cc1ccc(N2CCOCC2)cc1)[C@@H]1CC[NH2+]C1 ZINC000923427461 618334281 /nfs/dbraw/zinc/33/42/81/618334281.db2.gz ZBFRKNIWCSXFGB-QGZVFWFLSA-N 2 2 289.423 1.707 10 10 CDCELP CCOc1ccc(O)c(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)c1 ZINC000841058408 797111695 /nfs/dbraw/zinc/11/16/95/797111695.db2.gz GIBKZOMPABSTAL-RISCZKNCSA-N 2 2 264.369 1.879 10 10 CDCELP COc1cccc(C[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)c1O ZINC000863484894 797396416 /nfs/dbraw/zinc/39/64/16/797396416.db2.gz PIHJPBPOJQQUTR-CMPLNLGQSA-N 2 2 250.342 1.631 10 10 CDCELP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1cccc(Br)c1O ZINC000841080128 936974554 /nfs/dbraw/zinc/97/45/54/936974554.db2.gz NFZOHAGRIDASHO-YUMQZZPRSA-N 2 2 273.174 1.980 10 10 CDCELP COc1cc(O)c(C[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1OC ZINC000862536576 929424208 /nfs/dbraw/zinc/42/42/08/929424208.db2.gz PKEFTOOLGMNQJG-LBPRGKRZSA-N 2 2 280.368 1.593 10 10 CDCELP COc1cc(O)c(C[NH2+]C[C@@H]2CCC[N@H+]2C)cc1OC ZINC000862536576 929424216 /nfs/dbraw/zinc/42/42/16/929424216.db2.gz PKEFTOOLGMNQJG-LBPRGKRZSA-N 2 2 280.368 1.593 10 10 CDCELP COc1cccc(O)c1C[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC000863483435 819143934 /nfs/dbraw/zinc/14/39/34/819143934.db2.gz AXMKMWGCBMDVON-WDEREUQCSA-N 2 2 250.342 1.631 10 10 CDCELP COc1ccc(N2CC[C@H]([NH2+][C@H]3C[NH2+]CC[C@@H]3C)C2)cc1 ZINC000854216917 928171448 /nfs/dbraw/zinc/17/14/48/928171448.db2.gz HEAFKWNJPYVORK-ZQIUZPCESA-N 2 2 289.423 1.862 10 10 CDCELP [NH3+]CC[C@@H]([NH3+])c1c(O)c(F)ccc1Br ZINC000306721250 362279441 /nfs/dbraw/zinc/27/94/41/362279441.db2.gz HTUKZFSSJZKNKU-SSDOTTSWSA-N 2 2 263.110 1.642 10 10 CDCELP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)c1 ZINC000273445955 365496541 /nfs/dbraw/zinc/49/65/41/365496541.db2.gz ZTJGYZUKVCLJPM-YPMHNXCESA-N 2 2 292.379 1.924 10 10 CDCELP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)c1 ZINC000273445955 365496546 /nfs/dbraw/zinc/49/65/46/365496546.db2.gz ZTJGYZUKVCLJPM-YPMHNXCESA-N 2 2 292.379 1.924 10 10 CDCELP C[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000863487180 822662495 /nfs/dbraw/zinc/66/24/95/822662495.db2.gz KGRSKAYOSXEGBE-WMLDXEAASA-N 3 2 288.439 1.278 10 10 CDCELP C[C@H]([NH2+]CC1([NH3+])CCOCC1)c1cc(F)cc(F)c1O ZINC000863542119 827895008 /nfs/dbraw/zinc/89/50/08/827895008.db2.gz RTSFJIUGNWKXQV-VIFPVBQESA-N 2 2 286.322 1.829 10 10 CDCELP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+])c1 ZINC000817978007 829710792 /nfs/dbraw/zinc/71/07/92/829710792.db2.gz TVEHEGJKPGVKMD-AEJSXWLSSA-N 2 2 266.341 1.565 10 10 CDCELP CN(C)c1ccc(/C=C\CN2CC[N@H+](C)C[C@H]2C[NH3+])cc1 ZINC000843121645 829898800 /nfs/dbraw/zinc/89/88/00/829898800.db2.gz FWFGBIQWRMMBGJ-VGOKWCNXSA-N 2 2 288.439 1.341 10 10 CDCELP CN(C)c1ccc(/C=C\CN2CC[N@@H+](C)C[C@H]2C[NH3+])cc1 ZINC000843121645 829898807 /nfs/dbraw/zinc/89/88/07/829898807.db2.gz FWFGBIQWRMMBGJ-VGOKWCNXSA-N 2 2 288.439 1.341 10 10 CDCELP COc1cc(O)c(C[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)cc1OC ZINC000863485299 832272612 /nfs/dbraw/zinc/27/26/12/832272612.db2.gz YNYNMIDRQVDQFM-CMPLNLGQSA-N 2 2 280.368 1.640 10 10 CDCELP C[C@@H]([NH2+]Cc1cccc(Br)c1O)[C@H](C)[NH3+] ZINC000841080122 832852420 /nfs/dbraw/zinc/85/24/20/832852420.db2.gz NFZOHAGRIDASHO-JGVFFNPUSA-N 2 2 273.174 1.980 10 10 CDCELP C[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1cc(F)cc(F)c1O ZINC000863542118 834926026 /nfs/dbraw/zinc/92/60/26/834926026.db2.gz RTSFJIUGNWKXQV-SECBINFHSA-N 2 2 286.322 1.829 10 10 CDCELP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000841058444 838726884 /nfs/dbraw/zinc/72/68/84/838726884.db2.gz HDOYRXVOFVLJRO-KOLCDFICSA-N 2 2 264.325 1.209 10 10 CDCELP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1cccc(Br)c1O ZINC000841080120 840101962 /nfs/dbraw/zinc/10/19/62/840101962.db2.gz NFZOHAGRIDASHO-HTQZYQBOSA-N 2 2 273.174 1.980 10 10 CDCELP COC[C@H](C)C[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841045841 936973055 /nfs/dbraw/zinc/97/30/55/936973055.db2.gz RHXPBNIZFRTAKC-IUODEOHRSA-N 2 2 265.401 1.625 10 10 CDCELP [NH3+]CC[C@@H]([NH3+])c1ccc(F)c(Br)c1O ZINC000306985979 364936267 /nfs/dbraw/zinc/93/62/67/364936267.db2.gz XADUAZDOVPETLE-SSDOTTSWSA-N 2 2 263.110 1.642 10 10 CDCELP Oc1c(F)cccc1C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252783894 334392778 /nfs/dbraw/zinc/39/27/78/334392778.db2.gz XATLQAJHGYNRGK-QWHCGFSZSA-N 2 2 280.343 1.484 10 10 CDCELP Oc1c(F)cccc1C[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252783894 334392780 /nfs/dbraw/zinc/39/27/80/334392780.db2.gz XATLQAJHGYNRGK-QWHCGFSZSA-N 2 2 280.343 1.484 10 10 CDCELP C[C@@H]1C[NH2+]C[C@H]1[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000903964294 626171570 /nfs/dbraw/zinc/17/15/70/626171570.db2.gz IEUCQQIQVFYNHG-LVQRLBQTSA-N 2 2 259.397 1.963 10 10 CDCELP CC1(C)C[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@@H]1[NH3+] ZINC000903984587 626173606 /nfs/dbraw/zinc/17/36/06/626173606.db2.gz LKLAZEQKPPZBPP-INIZCTEOSA-N 2 2 289.423 1.692 10 10 CDCELP CC1(C)C[N@@H+](Cc2ccc(N3CCOCC3)cc2)C[C@@H]1[NH3+] ZINC000903984587 626173607 /nfs/dbraw/zinc/17/36/07/626173607.db2.gz LKLAZEQKPPZBPP-INIZCTEOSA-N 2 2 289.423 1.692 10 10 CDCELP Oc1ccc(F)cc1C[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903975017 626169092 /nfs/dbraw/zinc/16/90/92/626169092.db2.gz YPYCSZDVEVLHSB-CQSZACIVSA-N 2 2 294.370 1.780 10 10 CDCELP CN(C)c1ccc(/C=C/C[NH2+]C[C@@H]2C[NH2+]CCO2)cc1 ZINC000841100261 630579065 /nfs/dbraw/zinc/57/90/65/630579065.db2.gz ABDICNRIKKXFNB-QDLOVBKTSA-N 2 2 275.396 1.344 10 10 CDCELP C[C@@H]1C[N@H+](Cc2cccc(F)c2O)C[C@@]1(C)C[NH3+] ZINC000841090926 705327687 /nfs/dbraw/zinc/32/76/87/705327687.db2.gz QVYQXCAJYUMXQC-QMTHXVAHSA-N 2 2 252.333 1.948 10 10 CDCELP C[C@@H]1C[N@@H+](Cc2cccc(F)c2O)C[C@@]1(C)C[NH3+] ZINC000841090926 705327689 /nfs/dbraw/zinc/32/76/89/705327689.db2.gz QVYQXCAJYUMXQC-QMTHXVAHSA-N 2 2 252.333 1.948 10 10 CDCELP COc1cccc(O)c1C[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000863483432 711776285 /nfs/dbraw/zinc/77/62/85/711776285.db2.gz AXMKMWGCBMDVON-GHMZBOCLSA-N 2 2 250.342 1.631 10 10 CDCELP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+])c1 ZINC000817978010 711872043 /nfs/dbraw/zinc/87/20/43/711872043.db2.gz TVEHEGJKPGVKMD-UTLUCORTSA-N 2 2 266.341 1.565 10 10 CDCELP [NH3+]Cc1nc2c(s1)CC[N@H+](Cc1ccccc1O)C2 ZINC000710147501 923237481 /nfs/dbraw/zinc/23/74/81/923237481.db2.gz KUXIPNQKCAJCJR-UHFFFAOYSA-N 2 2 275.377 1.866 10 10 CDCELP [NH3+]Cc1nc2c(s1)CC[N@@H+](Cc1ccccc1O)C2 ZINC000710147501 923237492 /nfs/dbraw/zinc/23/74/92/923237492.db2.gz KUXIPNQKCAJCJR-UHFFFAOYSA-N 2 2 275.377 1.866 10 10 CDCELP Oc1cc2c(cc1C[NH2+]CCn1cc[nH+]c1)OCO2 ZINC000042880413 358983669 /nfs/dbraw/zinc/98/36/69/358983669.db2.gz WUQYYBNEAMOYNW-UHFFFAOYSA-N 2 2 261.281 1.107 10 10 CDCELP Cn1cc[nH+]c1CN1CC[NH+](Cc2ccccc2O)CC1 ZINC000770510897 575458045 /nfs/dbraw/zinc/45/80/45/575458045.db2.gz URTKXROFYGXFIT-UHFFFAOYSA-N 2 2 286.379 1.444 10 10 CDCELP COc1cc(Cl)cc(C[NH2+][C@@H]2C[NH2+]C[C@H]2C)c1O ZINC000903965027 626171855 /nfs/dbraw/zinc/17/18/55/626171855.db2.gz YMXVKYVYUWVFLC-LDYMZIIASA-N 2 2 270.760 1.752 10 10 CDCELP C[C@H]1CC[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)C[NH2+]1 ZINC000863484985 929559099 /nfs/dbraw/zinc/55/90/99/929559099.db2.gz QYRZHXLIJPPHTA-GXSJLCMTSA-N 2 2 264.325 1.351 10 10 CDCELP