smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1c(O)c(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000774914220 582002504 /nfs/dbraw/zinc/00/25/04/582002504.db2.gz MICGFSKGMLMKOG-QWRGUYRKSA-N 2 2 293.323 0.960 20 10 CCCDLP COc1cccc(CN2CC[N@H+](C)C[C@H]2C[NH3+])c1O ZINC000122513034 617297300 /nfs/dbraw/zinc/29/73/00/617297300.db2.gz QIQUBCGKVFBJJX-GFCCVEGCSA-N 2 2 265.357 0.476 20 10 CCCDLP COc1cccc(CN2CC[N@@H+](C)C[C@H]2C[NH3+])c1O ZINC000122513034 617297301 /nfs/dbraw/zinc/29/73/01/617297301.db2.gz QIQUBCGKVFBJJX-GFCCVEGCSA-N 2 2 265.357 0.476 20 10 CCCDLP COc1cccc(C[NH+]2CC(N3CC[NH+](C)CC3)C2)c1O ZINC001203601658 803037113 /nfs/dbraw/zinc/03/71/13/803037113.db2.gz FTBGIZXMPFDQHP-UHFFFAOYSA-N 2 2 291.395 0.832 20 10 CCCDLP CCOc1ccc(CN2CC[N@H+](C)C[C@H]2C[NH3+])c(O)c1 ZINC000843120819 615510631 /nfs/dbraw/zinc/51/06/31/615510631.db2.gz VZJUZNMMWPIEBE-CYBMUJFWSA-N 2 2 279.384 0.866 20 10 CCCDLP CCOc1ccc(CN2CC[N@@H+](C)C[C@H]2C[NH3+])c(O)c1 ZINC000843120819 615510632 /nfs/dbraw/zinc/51/06/32/615510632.db2.gz VZJUZNMMWPIEBE-CYBMUJFWSA-N 2 2 279.384 0.866 20 10 CCCDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cccc(O)c1O ZINC000855414352 615880235 /nfs/dbraw/zinc/88/02/35/615880235.db2.gz BZGJZRVWTBRWRF-UHFFFAOYSA-N 2 2 295.383 0.711 20 10 CCCDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cccc(O)c1O ZINC000855414352 615880237 /nfs/dbraw/zinc/88/02/37/615880237.db2.gz BZGJZRVWTBRWRF-UHFFFAOYSA-N 2 2 295.383 0.711 20 10 CCCDLP Oc1c(F)cccc1CN1CC[NH2+]CC[NH2+]CC1 ZINC000904396812 634738314 /nfs/dbraw/zinc/73/83/14/634738314.db2.gz QYKLDXHEEKQSOG-UHFFFAOYSA-N 2 2 253.321 0.526 20 10 CCCDLP Oc1ccc(F)cc1C[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235052571 806355610 /nfs/dbraw/zinc/35/56/10/806355610.db2.gz GAOFXWXCDNIKRB-CQSZACIVSA-N 2 2 265.332 0.669 20 10 CCCDLP Oc1ccc(F)cc1C[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235052571 806355620 /nfs/dbraw/zinc/35/56/20/806355620.db2.gz GAOFXWXCDNIKRB-CQSZACIVSA-N 2 2 265.332 0.669 20 10 CCCDLP COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)C[NH+](C)C)c1 ZINC000717404008 848255773 /nfs/dbraw/zinc/25/57/73/848255773.db2.gz LBUIKXKJIHRYAV-MNOVXSKESA-N 2 2 268.357 0.974 20 10 CCCDLP CC(=O)c1cc(Cl)cc(C[N@H+](C)C[C@H](O)C[NH3+])c1O ZINC000842475516 614249130 /nfs/dbraw/zinc/24/91/30/614249130.db2.gz RKAXXABARBJDBI-LLVKDONJSA-N 2 2 286.759 1.000 20 10 CCCDLP CC(=O)c1cc(Cl)cc(C[N@@H+](C)C[C@H](O)C[NH3+])c1O ZINC000842475516 614249132 /nfs/dbraw/zinc/24/91/32/614249132.db2.gz RKAXXABARBJDBI-LLVKDONJSA-N 2 2 286.759 1.000 20 10 CCCDLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NCc1ccccc1O ZINC001219923110 804447877 /nfs/dbraw/zinc/44/78/77/804447877.db2.gz BVFSXYBTRSFRPO-LBPRGKRZSA-N 2 2 274.324 0.312 20 10 CCCDLP Nc1ccc(CNC(=O)NCC[NH+]2CCC([NH3+])CC2)cc1 ZINC001338687770 921545642 /nfs/dbraw/zinc/54/56/42/921545642.db2.gz NVLGNYSPKFHXKZ-UHFFFAOYSA-N 2 2 291.399 0.491 20 10 CCCDLP COc1cccc(C[NH2+]C[C@@H]2C[N@H+](C)CCN2C)c1O ZINC000068800172 526018658 /nfs/dbraw/zinc/01/86/58/526018658.db2.gz XYZLJLDHJUGYLC-CYBMUJFWSA-N 2 2 279.384 0.736 20 10 CCCDLP COc1cccc(C[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)c1O ZINC000068800172 526018672 /nfs/dbraw/zinc/01/86/72/526018672.db2.gz XYZLJLDHJUGYLC-CYBMUJFWSA-N 2 2 279.384 0.736 20 10 CCCDLP CC(=O)c1cc(Cl)cc(C[N@H+](C)C[C@@H](O)C[NH3+])c1O ZINC000842475517 614249256 /nfs/dbraw/zinc/24/92/56/614249256.db2.gz RKAXXABARBJDBI-NSHDSACASA-N 2 2 286.759 1.000 20 10 CCCDLP CC(=O)c1cc(Cl)cc(C[N@@H+](C)C[C@@H](O)C[NH3+])c1O ZINC000842475517 614249260 /nfs/dbraw/zinc/24/92/60/614249260.db2.gz RKAXXABARBJDBI-NSHDSACASA-N 2 2 286.759 1.000 20 10 CCCDLP CN(C)c1ccc(C[NH2+]C[C@H]2C[NH2+]CCO2)cc1F ZINC000841098150 616016016 /nfs/dbraw/zinc/01/60/16/616016016.db2.gz DRTUTIIIBRGEMX-GFCCVEGCSA-N 2 2 267.348 0.970 20 10 CCCDLP [NH3+]CCN(CCO)c1ccc(Cn2cc[nH+]c2)cc1 ZINC001163836709 802622928 /nfs/dbraw/zinc/62/29/28/802622928.db2.gz GJIKVFVDMGJZTN-UHFFFAOYSA-N 2 2 260.341 0.689 20 10 CCCDLP COc1cccc(CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)c1O ZINC001222491573 804904539 /nfs/dbraw/zinc/90/45/39/804904539.db2.gz FCIQTZSMWUPVGP-KBPBESRZSA-N 2 2 291.395 0.927 20 10 CCCDLP Cc1c(O)ccc(CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)c1O ZINC001222502874 804907900 /nfs/dbraw/zinc/90/79/00/804907900.db2.gz VTKRGHDHDOHGJT-KBPBESRZSA-N 2 2 291.395 0.932 20 10 CCCDLP COc1cccc([C@@H](C)[NH2+]C[C@H](O)C[NH+](C)C)c1O ZINC000846143710 617307583 /nfs/dbraw/zinc/30/75/83/617307583.db2.gz FXGLXWHXBSYLFM-MNOVXSKESA-N 2 2 268.357 0.974 20 10 CCCDLP CCOc1cccc(CN2CC[N@H+](C)C[C@@H]2C[NH3+])c1O ZINC000124278661 615516216 /nfs/dbraw/zinc/51/62/16/615516216.db2.gz QUWIGEMDWJCKMD-ZDUSSCGKSA-N 2 2 279.384 0.866 20 10 CCCDLP CCOc1cccc(CN2CC[N@@H+](C)C[C@@H]2C[NH3+])c1O ZINC000124278661 615516217 /nfs/dbraw/zinc/51/62/17/615516217.db2.gz QUWIGEMDWJCKMD-ZDUSSCGKSA-N 2 2 279.384 0.866 20 10 CCCDLP CNC(=O)C[N@H+](C)Cc1cc(C[NH+](C)C)c(O)c(OC)c1 ZINC001139256285 799800462 /nfs/dbraw/zinc/80/04/62/799800462.db2.gz XYGRSHOTSVHSQD-UHFFFAOYSA-N 2 2 295.383 0.640 20 10 CCCDLP CNC(=O)C[N@@H+](C)Cc1cc(C[NH+](C)C)c(O)c(OC)c1 ZINC001139256285 799800469 /nfs/dbraw/zinc/80/04/69/799800469.db2.gz XYGRSHOTSVHSQD-UHFFFAOYSA-N 2 2 295.383 0.640 20 10 CCCDLP C[NH+]1CCN(C2C[NH+](Cc3cc(O)ccc3O)C2)CC1 ZINC001141162040 799986963 /nfs/dbraw/zinc/98/69/63/799986963.db2.gz JYGAFJNDSRBBAX-UHFFFAOYSA-N 2 2 277.368 0.529 20 10 CCCDLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCc2cccc(O)c2C1 ZINC001160872023 802036786 /nfs/dbraw/zinc/03/67/86/802036786.db2.gz GFIWYUZIQJLYHH-CYBMUJFWSA-N 2 2 286.335 0.570 20 10 CCCDLP C[C@@H]1CC[C@H]([NH2+]C[C@H](O)c2ccc(O)c(O)c2)C[NH2+]1 ZINC001246071645 807140996 /nfs/dbraw/zinc/14/09/96/807140996.db2.gz BFWZRGXVYOUIQF-PUYPPJJSSA-N 2 2 266.341 0.861 20 10 CCCDLP C[C@@]1([NH3+])CC[N@H+](Cc2cc3c(cc2O)OCC[NH2+]C3)C1 ZINC001204801943 814641899 /nfs/dbraw/zinc/64/18/99/814641899.db2.gz XLKHGZNTWLXFHG-OAHLLOKOSA-N 3 2 277.368 0.797 20 10 CCCDLP C[C@@]1([NH3+])CC[N@@H+](Cc2cc3c(cc2O)OCC[NH2+]C3)C1 ZINC001204801943 814641903 /nfs/dbraw/zinc/64/19/03/814641903.db2.gz XLKHGZNTWLXFHG-OAHLLOKOSA-N 3 2 277.368 0.797 20 10 CCCDLP C[N@@H+]1CCC2(C[NH+](Cc3c(O)cc(O)cc3O)C2)C1 ZINC001275112753 900996381 /nfs/dbraw/zinc/99/63/81/900996381.db2.gz OLNJNPMQJQMMQX-UHFFFAOYSA-N 2 2 264.325 0.941 20 10 CCCDLP C[N@H+]1CCC2(C[NH+](Cc3c(O)cc(O)cc3O)C2)C1 ZINC001275112753 900996392 /nfs/dbraw/zinc/99/63/92/900996392.db2.gz OLNJNPMQJQMMQX-UHFFFAOYSA-N 2 2 264.325 0.941 20 10 CCCDLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc(F)cc1O ZINC000756490178 581668430 /nfs/dbraw/zinc/66/84/30/581668430.db2.gz MBBAVQIQYZOYGK-NSHDSACASA-N 2 2 295.358 0.956 20 10 CCCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H](O)C[NH+](C)C)c1 ZINC000756557318 581671307 /nfs/dbraw/zinc/67/13/07/581671307.db2.gz SCSPCZMINJIXGX-JQWIXIFHSA-N 2 2 296.367 0.752 20 10 CCCDLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)Cc1ccccc1O ZINC000821391552 616965048 /nfs/dbraw/zinc/96/50/48/616965048.db2.gz OAYZCWRLLXZOFX-CQSZACIVSA-N 2 2 282.384 0.763 20 10 CCCDLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)Cc1ccccc1O ZINC000821391552 616965051 /nfs/dbraw/zinc/96/50/51/616965051.db2.gz OAYZCWRLLXZOFX-CQSZACIVSA-N 2 2 282.384 0.763 20 10 CCCDLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)Cc1ccccc1O ZINC000821391552 616965055 /nfs/dbraw/zinc/96/50/55/616965055.db2.gz OAYZCWRLLXZOFX-CQSZACIVSA-N 2 2 282.384 0.763 20 10 CCCDLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)Cc1ccccc1O ZINC000821391552 616965059 /nfs/dbraw/zinc/96/50/59/616965059.db2.gz OAYZCWRLLXZOFX-CQSZACIVSA-N 2 2 282.384 0.763 20 10 CCCDLP COc1cc(O)c(CN2CC[N@H+](C)C[C@H]2C[NH3+])cc1OC ZINC000843122239 643004614 /nfs/dbraw/zinc/00/46/14/643004614.db2.gz POLQBIXJNJQUNP-GFCCVEGCSA-N 2 2 295.383 0.484 20 10 CCCDLP COc1cc(O)c(CN2CC[N@@H+](C)C[C@H]2C[NH3+])cc1OC ZINC000843122239 643004620 /nfs/dbraw/zinc/00/46/20/643004620.db2.gz POLQBIXJNJQUNP-GFCCVEGCSA-N 2 2 295.383 0.484 20 10 CCCDLP Cc1cccc(O)c1C[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000876985318 646712995 /nfs/dbraw/zinc/71/29/95/646712995.db2.gz YIUHRSCEIIXLTA-UHFFFAOYSA-N 2 2 277.368 0.564 20 10 CCCDLP CN(C)c1ccc(CN2CC[N@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000226614639 815986822 /nfs/dbraw/zinc/98/68/22/815986822.db2.gz PIJKNCGHVLKPNZ-HNNXBMFYSA-N 2 2 262.401 0.827 20 10 CCCDLP CN(C)c1ccc(CN2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000226614639 815986825 /nfs/dbraw/zinc/98/68/25/815986825.db2.gz PIJKNCGHVLKPNZ-HNNXBMFYSA-N 2 2 262.401 0.827 20 10 CCCDLP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1cccc(F)c1O ZINC000843045659 616044434 /nfs/dbraw/zinc/04/44/34/616044434.db2.gz ZYRVZPBHPRFEOJ-UHFFFAOYSA-N 2 2 281.331 0.395 20 10 CCCDLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1cccc(F)c1O ZINC000843045659 616044435 /nfs/dbraw/zinc/04/44/35/616044435.db2.gz ZYRVZPBHPRFEOJ-UHFFFAOYSA-N 2 2 281.331 0.395 20 10 CCCDLP C[N@@H+](Cc1cc(Cl)cc(F)c1O)C[C@@H](O)C[NH3+] ZINC000841092542 616164643 /nfs/dbraw/zinc/16/46/43/616164643.db2.gz OCAUMXMORLRJEQ-VIFPVBQESA-N 2 2 262.712 0.936 20 10 CCCDLP C[N@H+](Cc1cc(Cl)cc(F)c1O)C[C@@H](O)C[NH3+] ZINC000841092542 616164644 /nfs/dbraw/zinc/16/46/44/616164644.db2.gz OCAUMXMORLRJEQ-VIFPVBQESA-N 2 2 262.712 0.936 20 10 CCCDLP Oc1cc2c(cc1C[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)OCO2 ZINC000841080708 642801920 /nfs/dbraw/zinc/80/19/20/642801920.db2.gz XYOCSDYIIREARH-UWVGGRQHSA-N 2 2 268.288 0.911 20 10 CCCDLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccccc1O ZINC000093193198 649733016 /nfs/dbraw/zinc/73/30/16/649733016.db2.gz XVBACSFFJLSNKX-UHFFFAOYSA-N 2 2 277.368 0.598 20 10 CCCDLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccccc1O ZINC000093193198 649733018 /nfs/dbraw/zinc/73/30/18/649733018.db2.gz XVBACSFFJLSNKX-UHFFFAOYSA-N 2 2 277.368 0.598 20 10 CCCDLP CC[NH+](CC)C[C@H](O)C[NH2+]Cc1cccc(O)c1O ZINC001253210979 808033275 /nfs/dbraw/zinc/03/32/75/808033275.db2.gz QTWCMZBZQRCIAV-GFCCVEGCSA-N 2 2 268.357 0.890 20 10 CCCDLP COC(=O)Cc1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)c(O)c1 ZINC001236172013 817134604 /nfs/dbraw/zinc/13/46/04/817134604.db2.gz HETPTAPZWLYBNK-LBPRGKRZSA-N 2 2 264.325 0.641 20 10 CCCDLP COC(=O)Cc1ccc(C[N@H+]2CC[C@H]([NH3+])C2)c(O)c1 ZINC001236172013 817134609 /nfs/dbraw/zinc/13/46/09/817134609.db2.gz HETPTAPZWLYBNK-LBPRGKRZSA-N 2 2 264.325 0.641 20 10 CCCDLP C[NH2+]C[C@@](C)(O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000846221150 616987386 /nfs/dbraw/zinc/98/73/86/616987386.db2.gz HKXBTGTXPNXKBZ-MRXNPFEDSA-N 2 2 293.411 0.788 20 10 CCCDLP C[NH+]1CCN(C2C[NH+](Cc3ccccc3O)C2)CC1 ZINC001203560671 803034817 /nfs/dbraw/zinc/03/48/17/803034817.db2.gz GCDSQNHTHIGFRS-UHFFFAOYSA-N 2 2 261.369 0.824 20 10 CCCDLP Oc1ccc([C@H](O)C[NH2+][C@H]2CCC[NH2+]C2)cc1O ZINC001246074847 807142272 /nfs/dbraw/zinc/14/22/72/807142272.db2.gz QYTDFHCQLHGNPA-GXFFZTMASA-N 2 2 252.314 0.473 20 10 CCCDLP COc1cccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+](C)C)c1O ZINC000846143709 617307578 /nfs/dbraw/zinc/30/75/78/617307578.db2.gz FXGLXWHXBSYLFM-GHMZBOCLSA-N 2 2 268.357 0.974 20 10 CCCDLP Nc1ccc(CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)cc1 ZINC001222506724 804910192 /nfs/dbraw/zinc/91/01/92/804910192.db2.gz CEPDNNWZYVFDTK-GJZGRUSLSA-N 2 2 260.385 0.795 20 10 CCCDLP CN(C)c1ccc(CNC(=O)C[NH2+]CC2([NH3+])CCC2)cc1 ZINC000844222797 616014857 /nfs/dbraw/zinc/01/48/57/616014857.db2.gz MLQIGRGTIMKABW-UHFFFAOYSA-N 2 2 290.411 0.840 20 10 CCCDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)CC1 ZINC000843044772 616247246 /nfs/dbraw/zinc/24/72/46/616247246.db2.gz IWMPFSFBVOBRCW-OAHLLOKOSA-N 3 2 274.412 0.971 20 10 CCCDLP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)CC1 ZINC000843044772 616247247 /nfs/dbraw/zinc/24/72/47/616247247.db2.gz IWMPFSFBVOBRCW-OAHLLOKOSA-N 3 2 274.412 0.971 20 10 CCCDLP [NH3+][C@]12C[C@H]1C[N@H+](Cc1ccc(N3CC[NH2+]CC3)cc1O)C2 ZINC001236031570 806532697 /nfs/dbraw/zinc/53/26/97/806532697.db2.gz XKCXASLJMSIYSM-BBRMVZONSA-N 3 2 288.395 0.335 20 10 CCCDLP [NH3+][C@]12C[C@H]1C[N@@H+](Cc1ccc(N3CC[NH2+]CC3)cc1O)C2 ZINC001236031570 806532704 /nfs/dbraw/zinc/53/27/04/806532704.db2.gz XKCXASLJMSIYSM-BBRMVZONSA-N 3 2 288.395 0.335 20 10 CCCDLP [NH3+]C[C@H]1C[N@H+](Cc2cc(F)c(F)cc2O)C[C@@H]1O ZINC001206524924 843859800 /nfs/dbraw/zinc/85/98/00/843859800.db2.gz AMQZHOHSPMGTBQ-UFBFGSQYSA-N 2 2 258.268 0.422 20 10 CCCDLP [NH3+]C[C@H]1C[N@@H+](Cc2cc(F)c(F)cc2O)C[C@@H]1O ZINC001206524924 843859809 /nfs/dbraw/zinc/85/98/09/843859809.db2.gz AMQZHOHSPMGTBQ-UFBFGSQYSA-N 2 2 258.268 0.422 20 10 CCCDLP CN(C)c1ccc([C@H]([NH3+])CNC(=O)Cc2[nH]cc[nH+]2)cc1 ZINC000911667729 616019824 /nfs/dbraw/zinc/01/98/24/616019824.db2.gz RHFPLKYMWPWDBN-CYBMUJFWSA-N 2 2 287.367 0.834 20 10 CCCDLP C[N@H+](CCN1CC[NH2+]CC1)Cc1cccc(F)c1O ZINC000843053297 616088330 /nfs/dbraw/zinc/08/83/30/616088330.db2.gz UKSHDUMGMRSJHI-UHFFFAOYSA-N 2 2 267.348 0.868 20 10 CCCDLP C[N@@H+](CCN1CC[NH2+]CC1)Cc1cccc(F)c1O ZINC000843053297 616088331 /nfs/dbraw/zinc/08/83/31/616088331.db2.gz UKSHDUMGMRSJHI-UHFFFAOYSA-N 2 2 267.348 0.868 20 10 CCCDLP C[N@@H+]1CCN(Cc2cccc(F)c2O)[C@H](C[NH3+])C1 ZINC000843121691 616245323 /nfs/dbraw/zinc/24/53/23/616245323.db2.gz HIYGSMKRQVHBET-LLVKDONJSA-N 2 2 253.321 0.606 20 10 CCCDLP C[N@H+]1CCN(Cc2cccc(F)c2O)[C@H](C[NH3+])C1 ZINC000843121691 616245324 /nfs/dbraw/zinc/24/53/24/616245324.db2.gz HIYGSMKRQVHBET-LLVKDONJSA-N 2 2 253.321 0.606 20 10 CCCDLP Oc1cc2c(cc1C[NH2+]C[C@@H]1CCC[NH2+]1)OCO2 ZINC000841036244 800067197 /nfs/dbraw/zinc/06/71/97/800067197.db2.gz QBRCGCWFRMUEHO-JTQLQIEISA-N 2 2 250.298 0.963 20 10 CCCDLP Nc1ccc(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC001120268743 821525175 /nfs/dbraw/zinc/52/51/75/821525175.db2.gz IJONJDUSLZFNFI-OAHLLOKOSA-N 2 2 288.395 0.665 20 10 CCCDLP Nc1ccc(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC001120268743 821525178 /nfs/dbraw/zinc/52/51/78/821525178.db2.gz IJONJDUSLZFNFI-OAHLLOKOSA-N 2 2 288.395 0.665 20 10 CCCDLP C[N@@H+]1CCN(Cc2cccc(F)c2O)[C@@H](C[NH3+])C1 ZINC000843121692 616245061 /nfs/dbraw/zinc/24/50/61/616245061.db2.gz HIYGSMKRQVHBET-NSHDSACASA-N 2 2 253.321 0.606 20 10 CCCDLP C[N@H+]1CCN(Cc2cccc(F)c2O)[C@@H](C[NH3+])C1 ZINC000843121692 616245062 /nfs/dbraw/zinc/24/50/62/616245062.db2.gz HIYGSMKRQVHBET-NSHDSACASA-N 2 2 253.321 0.606 20 10 CCCDLP C[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1cc(F)cc(F)c1O ZINC000817945711 641280969 /nfs/dbraw/zinc/28/09/69/641280969.db2.gz KDNOMPXQZKSJTE-SECBINFHSA-N 2 2 299.321 0.753 20 10 CCCDLP Cc1ccc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)c(O)c1 ZINC000876984643 646712857 /nfs/dbraw/zinc/71/28/57/646712857.db2.gz KUOHZOCAACFBTM-UHFFFAOYSA-N 2 2 277.368 0.564 20 10 CCCDLP Oc1cc(F)c(F)cc1CN1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001234991088 806337080 /nfs/dbraw/zinc/33/70/80/806337080.db2.gz WBCRPUNRTZIDOR-AWEZNQCLSA-N 2 2 283.322 0.808 20 10 CCCDLP Oc1cc2c(cc1C[NH2+]C[C@H]1CCC[NH2+]1)OCO2 ZINC000841036246 800066695 /nfs/dbraw/zinc/06/66/95/800066695.db2.gz QBRCGCWFRMUEHO-SNVBAGLBSA-N 2 2 250.298 0.963 20 10 CCCDLP [NH3+]C[C@H]1C[N@H+](Cc2cccc(Cl)c2O)C[C@H]1O ZINC001206475370 803250078 /nfs/dbraw/zinc/25/00/78/803250078.db2.gz NFYOSILTKVHHRS-GXSJLCMTSA-N 2 2 256.733 0.797 20 10 CCCDLP [NH3+]C[C@H]1C[N@@H+](Cc2cccc(Cl)c2O)C[C@H]1O ZINC001206475370 803250080 /nfs/dbraw/zinc/25/00/80/803250080.db2.gz NFYOSILTKVHHRS-GXSJLCMTSA-N 2 2 256.733 0.797 20 10 CCCDLP COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c(O)c1 ZINC001236171989 817134380 /nfs/dbraw/zinc/13/43/80/817134380.db2.gz HETPTAPZWLYBNK-GFCCVEGCSA-N 2 2 264.325 0.641 20 10 CCCDLP COC(=O)Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)c(O)c1 ZINC001236171989 817134387 /nfs/dbraw/zinc/13/43/87/817134387.db2.gz HETPTAPZWLYBNK-GFCCVEGCSA-N 2 2 264.325 0.641 20 10 CCCDLP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1cc(F)ccc1O ZINC000219687706 616044426 /nfs/dbraw/zinc/04/44/26/616044426.db2.gz ODNOUNZPLDDATM-UHFFFAOYSA-N 2 2 281.331 0.395 20 10 CCCDLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1cc(F)ccc1O ZINC000219687706 616044427 /nfs/dbraw/zinc/04/44/27/616044427.db2.gz ODNOUNZPLDDATM-UHFFFAOYSA-N 2 2 281.331 0.395 20 10 CCCDLP Oc1c(F)cccc1C[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000841085516 642803132 /nfs/dbraw/zinc/80/31/32/642803132.db2.gz FTGNUAZGVRIGNT-NSHDSACASA-N 2 2 254.305 0.999 20 10 CCCDLP C[N@@H+](Cc1c(O)cc(O)cc1O)C[C@@H]1CCC[NH2+]1 ZINC001236120679 806544079 /nfs/dbraw/zinc/54/40/79/806544079.db2.gz VBBCZTPAKZSBFW-VIFPVBQESA-N 2 2 252.314 0.987 20 10 CCCDLP C[N@H+](Cc1c(O)cc(O)cc1O)C[C@@H]1CCC[NH2+]1 ZINC001236120679 806544085 /nfs/dbraw/zinc/54/40/85/806544085.db2.gz VBBCZTPAKZSBFW-VIFPVBQESA-N 2 2 252.314 0.987 20 10 CCCDLP O=C(N1CCc2cccc(O)c2C1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160872914 802037019 /nfs/dbraw/zinc/03/70/19/802037019.db2.gz PWHGGZJZVVFZBW-MLGOLLRUSA-N 2 2 287.363 0.228 20 10 CCCDLP c1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1CCC[NH2+]CC1 ZINC000084857406 803140971 /nfs/dbraw/zinc/14/09/71/803140971.db2.gz JOQSOTOMJJYIIT-UHFFFAOYSA-N 3 2 274.412 0.892 20 10 CCCDLP c1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CCC[NH2+]CC1 ZINC000084857406 803140973 /nfs/dbraw/zinc/14/09/73/803140973.db2.gz JOQSOTOMJJYIIT-UHFFFAOYSA-N 3 2 274.412 0.892 20 10 CCCDLP c1cc(N2CC[NH2+]CC2)ccc1C[NH+]1CC2(C1)CC[NH2+]C2 ZINC001222380037 804895796 /nfs/dbraw/zinc/89/57/96/804895796.db2.gz QULQPSDPHGCRIF-UHFFFAOYSA-N 3 2 286.423 0.892 20 10 CCCDLP Nc1ccc(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC001120268741 821525058 /nfs/dbraw/zinc/52/50/58/821525058.db2.gz IJONJDUSLZFNFI-HNNXBMFYSA-N 2 2 288.395 0.665 20 10 CCCDLP Nc1ccc(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC001120268741 821525063 /nfs/dbraw/zinc/52/50/63/821525063.db2.gz IJONJDUSLZFNFI-HNNXBMFYSA-N 2 2 288.395 0.665 20 10 CCCDLP c1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1C[C@@H]2C[NH2+]CC[C@H]21 ZINC001235254612 806394549 /nfs/dbraw/zinc/39/45/49/806394549.db2.gz CMFPAHRROZEQNG-DOTOQJQBSA-N 3 2 286.423 0.890 20 10 CCCDLP c1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1C[C@@H]2C[NH2+]CC[C@H]21 ZINC001235254612 806394557 /nfs/dbraw/zinc/39/45/57/806394557.db2.gz CMFPAHRROZEQNG-DOTOQJQBSA-N 3 2 286.423 0.890 20 10 CCCDLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2cc(F)c(F)cc2O)C1 ZINC001205237957 803130638 /nfs/dbraw/zinc/13/06/38/803130638.db2.gz OSBPZFSHHSGDTP-CYBMUJFWSA-N 2 2 272.295 0.827 20 10 CCCDLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2cc(F)c(F)cc2O)C1 ZINC001205237957 803130642 /nfs/dbraw/zinc/13/06/42/803130642.db2.gz OSBPZFSHHSGDTP-CYBMUJFWSA-N 2 2 272.295 0.827 20 10 CCCDLP COC(=O)Cc1ccc(C[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)c(O)c1 ZINC001206075739 803202599 /nfs/dbraw/zinc/20/25/99/803202599.db2.gz XHYUTOREIHQVOP-ZWNOBZJWSA-N 2 2 278.352 0.887 20 10 CCCDLP COC(=O)Cc1ccc(C[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)c(O)c1 ZINC001206075739 803202608 /nfs/dbraw/zinc/20/26/08/803202608.db2.gz XHYUTOREIHQVOP-ZWNOBZJWSA-N 2 2 278.352 0.887 20 10 CCCDLP Oc1ccc([C@H](O)C[NH2+][C@@H]2CCC[NH2+]C2)cc1O ZINC001246074852 807143051 /nfs/dbraw/zinc/14/30/51/807143051.db2.gz QYTDFHCQLHGNPA-ZWNOBZJWSA-N 2 2 252.314 0.473 20 10 CCCDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)CC1 ZINC000843046957 616247199 /nfs/dbraw/zinc/24/71/99/616247199.db2.gz IWMPFSFBVOBRCW-HNNXBMFYSA-N 3 2 274.412 0.971 20 10 CCCDLP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)CC1 ZINC000843046957 616247200 /nfs/dbraw/zinc/24/72/00/616247200.db2.gz IWMPFSFBVOBRCW-HNNXBMFYSA-N 3 2 274.412 0.971 20 10 CCCDLP c1cc(N2CCOCC2)ccc1C[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000841098502 642803289 /nfs/dbraw/zinc/80/32/89/642803289.db2.gz HCHFDLDQBIZTKQ-MRXNPFEDSA-N 2 2 291.395 0.601 20 10 CCCDLP COc1cc(O)c(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cc1Cl ZINC001206480944 803251945 /nfs/dbraw/zinc/25/19/45/803251945.db2.gz MJVAREYVNDEMEE-JOYOIKCWSA-N 2 2 286.759 0.806 20 10 CCCDLP COc1cc(O)c(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cc1Cl ZINC001206480944 803251950 /nfs/dbraw/zinc/25/19/50/803251950.db2.gz MJVAREYVNDEMEE-JOYOIKCWSA-N 2 2 286.759 0.806 20 10 CCCDLP [NH3+]C1(C(=O)N2CCc3cccc(O)c3C2)CC[NH2+]CC1 ZINC001160871797 840245522 /nfs/dbraw/zinc/24/55/22/840245522.db2.gz AAMBKSKUIRBFCS-UHFFFAOYSA-N 2 2 275.352 0.358 20 10 CCCDLP COc1ccc(O)c(CN2CC[N@H+](C)C[C@H]2C[NH3+])c1 ZINC000122468067 617272725 /nfs/dbraw/zinc/27/27/25/617272725.db2.gz XNQYFZCNNCAPMX-GFCCVEGCSA-N 2 2 265.357 0.476 20 10 CCCDLP COc1ccc(O)c(CN2CC[N@@H+](C)C[C@H]2C[NH3+])c1 ZINC000122468067 617272727 /nfs/dbraw/zinc/27/27/27/617272727.db2.gz XNQYFZCNNCAPMX-GFCCVEGCSA-N 2 2 265.357 0.476 20 10 CCCDLP CCOc1ccc(CN2CC[N@H+](C)C[C@@H]2C[NH3+])c(O)c1 ZINC000843120821 615510401 /nfs/dbraw/zinc/51/04/01/615510401.db2.gz VZJUZNMMWPIEBE-ZDUSSCGKSA-N 2 2 279.384 0.866 20 10 CCCDLP CCOc1ccc(CN2CC[N@@H+](C)C[C@@H]2C[NH3+])c(O)c1 ZINC000843120821 615510404 /nfs/dbraw/zinc/51/04/04/615510404.db2.gz VZJUZNMMWPIEBE-ZDUSSCGKSA-N 2 2 279.384 0.866 20 10 CCCDLP CCOc1ccc(O)c(C[NH2+]C[C@H]2C[NH2+]CCO2)c1 ZINC000841098513 615512012 /nfs/dbraw/zinc/51/20/12/615512012.db2.gz HGYBXOKGRCXZMF-CYBMUJFWSA-N 2 2 266.341 0.869 20 10 CCCDLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cc(F)ccc1O ZINC000862465437 645001621 /nfs/dbraw/zinc/00/16/21/645001621.db2.gz QRMVGHXQYJACIB-ZDUSSCGKSA-N 2 2 295.358 0.961 20 10 CCCDLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cc(F)ccc1O ZINC000862465437 645001630 /nfs/dbraw/zinc/00/16/30/645001630.db2.gz QRMVGHXQYJACIB-ZDUSSCGKSA-N 2 2 295.358 0.961 20 10 CCCDLP CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001161134945 802098431 /nfs/dbraw/zinc/09/84/31/802098431.db2.gz RHEDIFNFPIUJTH-HIFRSBDPSA-N 2 2 290.411 0.790 20 10 CCCDLP C[C@H]1CC[C@H]([NH2+]C[C@H](O)c2ccc(O)c(O)c2)C[NH2+]1 ZINC001246182600 807179145 /nfs/dbraw/zinc/17/91/45/807179145.db2.gz BFWZRGXVYOUIQF-CHIMOYNISA-N 2 2 266.341 0.861 20 10 CCCDLP C[C@H]1C[NH2+]CC[N@H+](Cc2cc3c(cc2O)OCC[NH2+]C3)C1 ZINC001206277622 842396298 /nfs/dbraw/zinc/39/62/98/842396298.db2.gz VSJKKDOZHYCLHD-LBPRGKRZSA-N 3 2 291.395 0.916 20 10 CCCDLP C[C@H]1C[NH2+]CC[N@@H+](Cc2cc3c(cc2O)OCC[NH2+]C3)C1 ZINC001206277622 842396310 /nfs/dbraw/zinc/39/63/10/842396310.db2.gz VSJKKDOZHYCLHD-LBPRGKRZSA-N 3 2 291.395 0.916 20 10 CCCDLP COc1cc(O)c(C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c(OC)c1 ZINC001205958913 848062849 /nfs/dbraw/zinc/06/28/49/848062849.db2.gz HEZKUKAERJHESU-DGCLKSJQSA-N 2 2 282.340 0.303 20 10 CCCDLP COc1cc(O)c(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c(OC)c1 ZINC001205958913 848062856 /nfs/dbraw/zinc/06/28/56/848062856.db2.gz HEZKUKAERJHESU-DGCLKSJQSA-N 2 2 282.340 0.303 20 10 CCCDLP C[NH+]1CCN(C(=O)C[NH2+]Cc2ccccc2O)CC1 ZINC000134230139 616223545 /nfs/dbraw/zinc/22/35/45/616223545.db2.gz RTVGQFQPWBKFNA-UHFFFAOYSA-N 2 2 263.341 0.256 20 10 CCCDLP [NH3+][C@@]12C[C@@H]1CC[N@H+](Cc1c(O)cc(O)cc1O)C2 ZINC001235158224 806380829 /nfs/dbraw/zinc/38/08/29/806380829.db2.gz OJKQWUGNXHQVBP-ISVAXAHUSA-N 2 2 250.298 0.727 20 10 CCCDLP [NH3+][C@@]12C[C@@H]1CC[N@@H+](Cc1c(O)cc(O)cc1O)C2 ZINC001235158224 806380839 /nfs/dbraw/zinc/38/08/39/806380839.db2.gz OJKQWUGNXHQVBP-ISVAXAHUSA-N 2 2 250.298 0.727 20 10 CCCDLP O=C(N1CCc2cccc(O)c2C1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160872912 802036724 /nfs/dbraw/zinc/03/67/24/802036724.db2.gz PWHGGZJZVVFZBW-BLLLJJGKSA-N 2 2 287.363 0.228 20 10 CCCDLP C[NH+](C)CCN1CC2(C1)C[NH+](Cc1ccc(O)c(O)c1)C2 ZINC001275821038 848835410 /nfs/dbraw/zinc/83/54/10/848835410.db2.gz GSPAHUZTODDIKA-UHFFFAOYSA-N 2 2 291.395 0.777 20 10 CCCDLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc(F)cc1O ZINC000756490171 581668692 /nfs/dbraw/zinc/66/86/92/581668692.db2.gz MBBAVQIQYZOYGK-LLVKDONJSA-N 2 2 295.358 0.956 20 10 CCCDLP Cc1ccc(O)c(C[N@@H+]2CCC[C@]([NH3+])(CO)C2)c1 ZINC000904403032 634742823 /nfs/dbraw/zinc/74/28/23/634742823.db2.gz ZJRYBUIJWGGLNF-CQSZACIVSA-N 2 2 250.342 0.986 20 10 CCCDLP Cc1ccc(O)c(C[N@H+]2CCC[C@]([NH3+])(CO)C2)c1 ZINC000904403032 634742828 /nfs/dbraw/zinc/74/28/28/634742828.db2.gz ZJRYBUIJWGGLNF-CQSZACIVSA-N 2 2 250.342 0.986 20 10 CCCDLP [NH3+]C[C@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OCC[NH2+]C2 ZINC001236250117 806556622 /nfs/dbraw/zinc/55/66/22/806556622.db2.gz DDSQDOJYQGCAQH-CYBMUJFWSA-N 3 2 277.368 0.797 20 10 CCCDLP [NH3+]C[C@H]1CCC[N@H+]1Cc1cc2c(cc1O)OCC[NH2+]C2 ZINC001236250117 806556625 /nfs/dbraw/zinc/55/66/25/806556625.db2.gz DDSQDOJYQGCAQH-CYBMUJFWSA-N 3 2 277.368 0.797 20 10 CCCDLP Cc1cc(C)c(C[N@@H+]2CC[C@@H](O)[C@H]([NH3+])C2)c(O)c1 ZINC001206097306 803206502 /nfs/dbraw/zinc/20/65/02/803206502.db2.gz MGJBGJMHSYLNOE-CHWSQXEVSA-N 2 2 250.342 0.903 20 10 CCCDLP Cc1cc(C)c(C[N@H+]2CC[C@@H](O)[C@H]([NH3+])C2)c(O)c1 ZINC001206097306 803206507 /nfs/dbraw/zinc/20/65/07/803206507.db2.gz MGJBGJMHSYLNOE-CHWSQXEVSA-N 2 2 250.342 0.903 20 10 CCCDLP Cc1cc(C)c(CNC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)c(O)c1 ZINC001220825423 804674110 /nfs/dbraw/zinc/67/41/10/804674110.db2.gz GYTSMWFEHRKJOH-CYBMUJFWSA-N 2 2 288.351 0.918 20 10 CCCDLP CC[NH+](CC)C[C@H](O)C[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 ZINC001253175515 808017490 /nfs/dbraw/zinc/01/74/90/808017490.db2.gz NUCFWRZTMCXPIG-IUODEOHRSA-N 2 2 298.383 0.424 20 10 CCCDLP COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001205967659 848162076 /nfs/dbraw/zinc/16/20/76/848162076.db2.gz UPBBDIVKLKSSEV-ZIAGYGMSSA-N 2 2 279.384 0.655 20 10 CCCDLP COc1cc(N(C)C)ccc1C[N@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001205967659 848162081 /nfs/dbraw/zinc/16/20/81/848162081.db2.gz UPBBDIVKLKSSEV-ZIAGYGMSSA-N 2 2 279.384 0.655 20 10 CCCDLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CCc3cccc(O)c32)CC1 ZINC000834543828 616223797 /nfs/dbraw/zinc/22/37/97/616223797.db2.gz HEOIZABVOKHJPC-ZDUSSCGKSA-N 2 2 289.379 0.743 20 10 CCCDLP Oc1c(F)cccc1C[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235055735 806360018 /nfs/dbraw/zinc/36/00/18/806360018.db2.gz WSVWJCYHLUBJDS-CQSZACIVSA-N 2 2 265.332 0.669 20 10 CCCDLP Oc1c(F)cccc1C[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235055735 806360028 /nfs/dbraw/zinc/36/00/28/806360028.db2.gz WSVWJCYHLUBJDS-CQSZACIVSA-N 2 2 265.332 0.669 20 10 CCCDLP Oc1ccc(C[N@@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)c(O)c1 ZINC001222491940 804904347 /nfs/dbraw/zinc/90/43/47/804904347.db2.gz KTEPOLQRKUXYMK-KBPBESRZSA-N 2 2 277.368 0.624 20 10 CCCDLP Oc1ccc(C[N@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)c(O)c1 ZINC001222491940 804904352 /nfs/dbraw/zinc/90/43/52/804904352.db2.gz KTEPOLQRKUXYMK-KBPBESRZSA-N 2 2 277.368 0.624 20 10 CCCDLP Oc1ccc(CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)c(O)c1 ZINC001222491940 804904355 /nfs/dbraw/zinc/90/43/55/804904355.db2.gz KTEPOLQRKUXYMK-KBPBESRZSA-N 2 2 277.368 0.624 20 10 CCCDLP COCC[NH2+]CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000228737299 329347685 /nfs/dbraw/zinc/34/76/85/329347685.db2.gz GPCVSOCNIYLGTA-UHFFFAOYSA-N 2 2 250.342 0.947 20 10 CCCDLP C[N@@H+](Cc1cc(Cl)cc(F)c1O)C[C@H](O)C[NH3+] ZINC000841092541 616164782 /nfs/dbraw/zinc/16/47/82/616164782.db2.gz OCAUMXMORLRJEQ-SECBINFHSA-N 2 2 262.712 0.936 20 10 CCCDLP C[N@H+](Cc1cc(Cl)cc(F)c1O)C[C@H](O)C[NH3+] ZINC000841092541 616164783 /nfs/dbraw/zinc/16/47/83/616164783.db2.gz OCAUMXMORLRJEQ-SECBINFHSA-N 2 2 262.712 0.936 20 10 CCCDLP C[NH+]1CCN(C2C[NH+](Cc3cc(O)c(O)cc3O)C2)CC1 ZINC001233487019 806062513 /nfs/dbraw/zinc/06/25/13/806062513.db2.gz LUXXLLGWGAJYMP-UHFFFAOYSA-N 2 2 293.367 0.235 20 10 CCCDLP Cc1cc(C)c(CNC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)c(O)c1 ZINC001220826041 804675783 /nfs/dbraw/zinc/67/57/83/804675783.db2.gz YTBHHJPMWJNCDM-PWSUYJOCSA-N 2 2 263.341 0.314 20 10 CCCDLP C[NH+]1CCN(C(=O)C[NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC001199811841 847444507 /nfs/dbraw/zinc/44/45/07/847444507.db2.gz DMDSUWHKMZCOEU-UHFFFAOYSA-N 2 2 289.379 0.485 20 10 CCCDLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+]2Cc1ccc(O)c(O)c1 ZINC001275821204 848835897 /nfs/dbraw/zinc/83/58/97/848835897.db2.gz JMYBHPJGTIPRIV-OKILXGFUSA-N 2 2 291.395 0.918 20 10 CCCDLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+]2Cc1ccc(O)c(O)c1 ZINC001275821204 848835906 /nfs/dbraw/zinc/83/59/06/848835906.db2.gz JMYBHPJGTIPRIV-OKILXGFUSA-N 2 2 291.395 0.918 20 10 CCCDLP C[NH2+]C[C@](C)(O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000846221147 617001432 /nfs/dbraw/zinc/00/14/32/617001432.db2.gz HKXBTGTXPNXKBZ-INIZCTEOSA-N 2 2 293.411 0.788 20 10 CCCDLP C[C@@H]1C[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C[C@@H]1[NH3+] ZINC001236094722 806543179 /nfs/dbraw/zinc/54/31/79/806543179.db2.gz WULMAUCVTVACHQ-CJNGLKHVSA-N 3 2 274.412 0.875 20 10 CCCDLP C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C[C@@H]1[NH3+] ZINC001236094722 806543180 /nfs/dbraw/zinc/54/31/80/806543180.db2.gz WULMAUCVTVACHQ-CJNGLKHVSA-N 3 2 274.412 0.875 20 10 CCCDLP Cc1cc(C)c(CNC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)c(O)c1 ZINC001220825770 804675696 /nfs/dbraw/zinc/67/56/96/804675696.db2.gz QEXPXNFPTWGOPL-FPMFFAJLSA-N 2 2 289.379 0.575 20 10 CCCDLP COc1cc(O)c(C[NH2+][C@H]2CC[NH2+]C2)cc1OC ZINC000849349613 617207760 /nfs/dbraw/zinc/20/77/60/617207760.db2.gz COGUNPBYYVYLJD-JTQLQIEISA-N 2 2 252.314 0.861 20 10 CCCDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cc1ccc(N)cc1 ZINC000852846159 615879114 /nfs/dbraw/zinc/87/91/14/615879114.db2.gz DFTCXNLYFFBICC-UHFFFAOYSA-N 2 2 292.427 0.811 20 10 CCCDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cc1ccc(N)cc1 ZINC000852846159 615879115 /nfs/dbraw/zinc/87/91/15/615879115.db2.gz DFTCXNLYFFBICC-UHFFFAOYSA-N 2 2 292.427 0.811 20 10 CCCDLP COC[C@]1(C[NH2+]Cc2cc3c(cc2O)OCO3)CCC[NH2+]1 ZINC000841066765 616874919 /nfs/dbraw/zinc/87/49/19/616874919.db2.gz GTZQCHGPSLDEFR-OAHLLOKOSA-N 2 2 294.351 0.979 20 10 CCCDLP COc1cc(C[NH+]2CC(C)(C[NH3+])C2)c(O)cc1O ZINC001206730343 799778205 /nfs/dbraw/zinc/77/82/05/799778205.db2.gz SJSJKTWWLXKOMP-UHFFFAOYSA-N 2 2 252.314 0.887 20 10 CCCDLP Cc1cc(C)c(CNC(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)c(O)c1 ZINC001220826048 804675627 /nfs/dbraw/zinc/67/56/27/804675627.db2.gz YYJWDZVZUWZXAH-LRDDRELGSA-N 2 2 289.379 0.577 20 10 CCCDLP Oc1ccccc1CN1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21 ZINC001222492345 804906196 /nfs/dbraw/zinc/90/61/96/804906196.db2.gz TWSOQULWLLSBMX-KBPBESRZSA-N 2 2 261.369 0.918 20 10 CCCDLP Oc1cc2c(cc1C[NH2+][C@@H]1CCC[NH2+]C1)OCO2 ZINC000841042626 814605208 /nfs/dbraw/zinc/60/52/08/814605208.db2.gz MDJDULGYOSSWJJ-SNVBAGLBSA-N 2 2 250.298 0.963 20 10 CCCDLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1cc2c(cc1O)OCC[NH2+]C2 ZINC001205196833 817914750 /nfs/dbraw/zinc/91/47/50/817914750.db2.gz BVVNFEHJUVKTOC-ZWNOBZJWSA-N 3 2 277.368 0.796 20 10 CCCDLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1cc2c(cc1O)OCC[NH2+]C2 ZINC001205196833 817914755 /nfs/dbraw/zinc/91/47/55/817914755.db2.gz BVVNFEHJUVKTOC-ZWNOBZJWSA-N 3 2 277.368 0.796 20 10 CCCDLP Oc1cccc(F)c1C[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235050852 903968480 /nfs/dbraw/zinc/96/84/80/903968480.db2.gz FLWLUQCLJMJMDY-AWEZNQCLSA-N 2 2 265.332 0.669 20 10 CCCDLP Oc1cccc(F)c1C[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235050852 903968491 /nfs/dbraw/zinc/96/84/91/903968491.db2.gz FLWLUQCLJMJMDY-AWEZNQCLSA-N 2 2 265.332 0.669 20 10 CCCDLP [NH3+]C1CC[NH+](CCNC(=O)NCc2ccccc2O)CC1 ZINC001357583764 926564415 /nfs/dbraw/zinc/56/44/15/926564415.db2.gz WXHRSSKCFCQQCF-UHFFFAOYSA-N 2 2 292.383 0.615 20 10 CCCDLP CN(C)c1ccc(CN2CC[N@H+](C)C[C@H]2C[NH3+])cc1F ZINC000843120815 616245014 /nfs/dbraw/zinc/24/50/14/616245014.db2.gz VQYFXVZUDJHIFE-CYBMUJFWSA-N 2 2 280.391 0.966 20 10 CCCDLP CN(C)c1ccc(CN2CC[N@@H+](C)C[C@H]2C[NH3+])cc1F ZINC000843120815 616245015 /nfs/dbraw/zinc/24/50/15/616245015.db2.gz VQYFXVZUDJHIFE-CYBMUJFWSA-N 2 2 280.391 0.966 20 10 CCCDLP COc1ccc(O)c(C[N@@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)c1 ZINC001222492351 804906955 /nfs/dbraw/zinc/90/69/55/804906955.db2.gz UBUUMIJKTRZOJP-GJZGRUSLSA-N 2 2 291.395 0.927 20 10 CCCDLP COc1ccc(O)c(C[N@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)c1 ZINC001222492351 804906960 /nfs/dbraw/zinc/90/69/60/804906960.db2.gz UBUUMIJKTRZOJP-GJZGRUSLSA-N 2 2 291.395 0.927 20 10 CCCDLP CC[NH+](CC)C[C@@H](O)C[NH2+]Cc1ccc(O)c(O)c1 ZINC001253210821 808032500 /nfs/dbraw/zinc/03/25/00/808032500.db2.gz OSYDDHZHDOPRAI-LBPRGKRZSA-N 2 2 268.357 0.890 20 10 CCCDLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2cccc(F)c2O)C1 ZINC000702593085 819148577 /nfs/dbraw/zinc/14/85/77/819148577.db2.gz IHKHLSOFXVBIBJ-ZDUSSCGKSA-N 2 2 254.305 0.688 20 10 CCCDLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2cccc(F)c2O)C1 ZINC000702593085 819148581 /nfs/dbraw/zinc/14/85/81/819148581.db2.gz IHKHLSOFXVBIBJ-ZDUSSCGKSA-N 2 2 254.305 0.688 20 10 CCCDLP [NH3+]C[C@H]1C[N@H+](Cc2c(O)ccc(F)c2F)C[C@H]1O ZINC001206480653 843719531 /nfs/dbraw/zinc/71/95/31/843719531.db2.gz GZNRYWGOCFOQIS-WRWORJQWSA-N 2 2 258.268 0.422 20 10 CCCDLP [NH3+]C[C@H]1C[N@@H+](Cc2c(O)ccc(F)c2F)C[C@H]1O ZINC001206480653 843719544 /nfs/dbraw/zinc/71/95/44/843719544.db2.gz GZNRYWGOCFOQIS-WRWORJQWSA-N 2 2 258.268 0.422 20 10 CCCDLP COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)C[NH+](C)C)c1 ZINC000717404012 848255678 /nfs/dbraw/zinc/25/56/78/848255678.db2.gz LBUIKXKJIHRYAV-WDEREUQCSA-N 2 2 268.357 0.974 20 10 CCCDLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1cc(F)ccc1O ZINC000756491712 581668598 /nfs/dbraw/zinc/66/85/98/581668598.db2.gz XZJAVDLXZRIFRP-NSHDSACASA-N 2 2 295.358 0.956 20 10 CCCDLP CCOc1cccc(C[NH2+]C[C@@H]2C[NH2+]CCO2)c1O ZINC000841099675 615516770 /nfs/dbraw/zinc/51/67/70/615516770.db2.gz VOBQXZPBQAFRHM-LBPRGKRZSA-N 2 2 266.341 0.869 20 10 CCCDLP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cnn[nH]3)cc2)CC1 ZINC000858197016 616247025 /nfs/dbraw/zinc/24/70/25/616247025.db2.gz CSRLGGYKUTVQSZ-UHFFFAOYSA-N 2 2 286.383 0.846 20 10 CCCDLP COc1cc(O)c(CN2CC[N@H+](C)C[C@@H]2C[NH3+])cc1OC ZINC000843122240 643005067 /nfs/dbraw/zinc/00/50/67/643005067.db2.gz POLQBIXJNJQUNP-LBPRGKRZSA-N 2 2 295.383 0.484 20 10 CCCDLP COc1cc(O)c(CN2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1OC ZINC000843122240 643005078 /nfs/dbraw/zinc/00/50/78/643005078.db2.gz POLQBIXJNJQUNP-LBPRGKRZSA-N 2 2 295.383 0.484 20 10 CCCDLP O=C(N1CCc2cccc(O)c2C1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160872913 802037080 /nfs/dbraw/zinc/03/70/80/802037080.db2.gz PWHGGZJZVVFZBW-LRDDRELGSA-N 2 2 287.363 0.228 20 10 CCCDLP C[NH+](C)CCN1CC[NH+](Cc2ccc(O)c(O)c2)CC1 ZINC001203873277 803049267 /nfs/dbraw/zinc/04/92/67/803049267.db2.gz AQVGDFALCZJWER-UHFFFAOYSA-N 2 2 279.384 0.777 20 10 CCCDLP Oc1cccc(F)c1C[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235050855 903968418 /nfs/dbraw/zinc/96/84/18/903968418.db2.gz FLWLUQCLJMJMDY-CQSZACIVSA-N 2 2 265.332 0.669 20 10 CCCDLP Oc1cccc(F)c1C[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235050855 903968430 /nfs/dbraw/zinc/96/84/30/903968430.db2.gz FLWLUQCLJMJMDY-CQSZACIVSA-N 2 2 265.332 0.669 20 10 CCCDLP COc1c(O)c(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000774914215 582002477 /nfs/dbraw/zinc/00/24/77/582002477.db2.gz MICGFSKGMLMKOG-GHMZBOCLSA-N 2 2 293.323 0.960 20 10 CCCDLP Cc1cccc(C[N@@H+]2CCC[C@@]([NH3+])(CO)C2)c1O ZINC000904402779 634742540 /nfs/dbraw/zinc/74/25/40/634742540.db2.gz SFXBLZHYXWHGRP-AWEZNQCLSA-N 2 2 250.342 0.986 20 10 CCCDLP Cc1cccc(C[N@H+]2CCC[C@@]([NH3+])(CO)C2)c1O ZINC000904402779 634742543 /nfs/dbraw/zinc/74/25/43/634742543.db2.gz SFXBLZHYXWHGRP-AWEZNQCLSA-N 2 2 250.342 0.986 20 10 CCCDLP C[NH+]1CCN(C2C[NH+](Cc3ccc(O)cc3O)C2)CC1 ZINC001204278059 803076795 /nfs/dbraw/zinc/07/67/95/803076795.db2.gz RHKKUMHXNGAHDQ-UHFFFAOYSA-N 2 2 277.368 0.529 20 10 CCCDLP COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)C[NH+](C)C)c1 ZINC000717404006 848255826 /nfs/dbraw/zinc/25/58/26/848255826.db2.gz LBUIKXKJIHRYAV-GHMZBOCLSA-N 2 2 268.357 0.974 20 10 CCCDLP CN(C)c1ccc(CN(C)C(=O)C[N@H+](C)CCC[NH3+])cc1 ZINC000844220466 616074218 /nfs/dbraw/zinc/07/42/18/616074218.db2.gz XMKVMLTXPZQXDB-UHFFFAOYSA-N 2 2 292.427 0.992 20 10 CCCDLP CN(C)c1ccc(CN(C)C(=O)C[N@@H+](C)CCC[NH3+])cc1 ZINC000844220466 616074219 /nfs/dbraw/zinc/07/42/19/616074219.db2.gz XMKVMLTXPZQXDB-UHFFFAOYSA-N 2 2 292.427 0.992 20 10 CCCDLP Oc1cc2c(cc1C[NH2+]C[C@H]1C[NH2+]CCO1)OCO2 ZINC000841099762 642803241 /nfs/dbraw/zinc/80/32/41/642803241.db2.gz XOXXKIKKOYJQDM-SNVBAGLBSA-N 2 2 266.297 0.199 20 10 CCCDLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000843066073 642984429 /nfs/dbraw/zinc/98/44/29/642984429.db2.gz RZCZJRWAPYCLLB-CQSZACIVSA-N 2 2 289.379 0.788 20 10 CCCDLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000843066073 642984436 /nfs/dbraw/zinc/98/44/36/642984436.db2.gz RZCZJRWAPYCLLB-CQSZACIVSA-N 2 2 289.379 0.788 20 10 CCCDLP [NH3+][C@]12C[C@H]1C[N@H+](Cc1ccc(N3CC[NH2+]CC3)cc1)C2 ZINC001236027558 806530886 /nfs/dbraw/zinc/53/08/86/806530886.db2.gz OQJDMJPRFRIFCI-HOCLYGCPSA-N 3 2 272.396 0.629 20 10 CCCDLP [NH3+][C@]12C[C@H]1C[N@@H+](Cc1ccc(N3CC[NH2+]CC3)cc1)C2 ZINC001236027558 806530892 /nfs/dbraw/zinc/53/08/92/806530892.db2.gz OQJDMJPRFRIFCI-HOCLYGCPSA-N 3 2 272.396 0.629 20 10 CCCDLP C[C@]1([NH3+])CC[N@H+](Cc2cc3c(cc2O)OCC[NH2+]C3)C1 ZINC001204801942 814638680 /nfs/dbraw/zinc/63/86/80/814638680.db2.gz XLKHGZNTWLXFHG-HNNXBMFYSA-N 3 2 277.368 0.797 20 10 CCCDLP C[C@]1([NH3+])CC[N@@H+](Cc2cc3c(cc2O)OCC[NH2+]C3)C1 ZINC001204801942 814638684 /nfs/dbraw/zinc/63/86/84/814638684.db2.gz XLKHGZNTWLXFHG-HNNXBMFYSA-N 3 2 277.368 0.797 20 10 CCCDLP [NH3+][C@@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C[C@H]1O ZINC001205947227 847899730 /nfs/dbraw/zinc/89/97/30/847899730.db2.gz YXEZTDNXZGTLBO-ZYHUDNBSSA-N 2 2 256.733 0.940 20 10 CCCDLP [NH3+][C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)C[C@H]1O ZINC001205947227 847899738 /nfs/dbraw/zinc/89/97/38/847899738.db2.gz YXEZTDNXZGTLBO-ZYHUDNBSSA-N 2 2 256.733 0.940 20 10 CCCDLP CN1CC[N@H+](C)C[C@H]1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000068801078 523889667 /nfs/dbraw/zinc/88/96/67/523889667.db2.gz IJYHSDQHFGPGGJ-OAHLLOKOSA-N 2 2 275.396 0.957 20 10 CCCDLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000068801078 523889671 /nfs/dbraw/zinc/88/96/71/523889671.db2.gz IJYHSDQHFGPGGJ-OAHLLOKOSA-N 2 2 275.396 0.957 20 10 CCCDLP [NH3+]C[C@H]1C[N@H+](Cc2cc(Cl)c(O)cc2O)C[C@@H]1O ZINC001206530996 803261261 /nfs/dbraw/zinc/26/12/61/803261261.db2.gz ZGNLSNILEGSMHJ-UFBFGSQYSA-N 2 2 272.732 0.503 20 10 CCCDLP [NH3+]C[C@H]1C[N@@H+](Cc2cc(Cl)c(O)cc2O)C[C@@H]1O ZINC001206530996 803261269 /nfs/dbraw/zinc/26/12/69/803261269.db2.gz ZGNLSNILEGSMHJ-UFBFGSQYSA-N 2 2 272.732 0.503 20 10 CCCDLP CN(C)c1ccc(CN2CC[N@H+](C)C[C@@H]2C[NH3+])cc1F ZINC000843120817 616244985 /nfs/dbraw/zinc/24/49/85/616244985.db2.gz VQYFXVZUDJHIFE-ZDUSSCGKSA-N 2 2 280.391 0.966 20 10 CCCDLP CN(C)c1ccc(CN2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1F ZINC000843120817 616244986 /nfs/dbraw/zinc/24/49/86/616244986.db2.gz VQYFXVZUDJHIFE-ZDUSSCGKSA-N 2 2 280.391 0.966 20 10 CCCDLP C[C@@H](C[NH3+])[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000841063135 642801846 /nfs/dbraw/zinc/80/18/46/642801846.db2.gz ILOCGVUTUVRMAK-ZDUSSCGKSA-N 3 2 262.401 0.875 20 10 CCCDLP Oc1ccc(O)c(C[N@@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)c1 ZINC001222502487 804908217 /nfs/dbraw/zinc/90/82/17/804908217.db2.gz KYLHTOWJDIWENV-KBPBESRZSA-N 2 2 277.368 0.624 20 10 CCCDLP Oc1ccc(O)c(C[N@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)c1 ZINC001222502487 804908219 /nfs/dbraw/zinc/90/82/19/804908219.db2.gz KYLHTOWJDIWENV-KBPBESRZSA-N 2 2 277.368 0.624 20 10 CCCDLP Oc1ccc([C@@H](O)C[NH2+][C@@H]2CCC[NH2+]C2)cc1O ZINC001246074850 807142185 /nfs/dbraw/zinc/14/21/85/807142185.db2.gz QYTDFHCQLHGNPA-MFKMUULPSA-N 2 2 252.314 0.473 20 10 CCCDLP CCOc1ccc(O)c(C[NH2+]C[C@@H]2C[NH2+]CCO2)c1 ZINC000841098514 615512252 /nfs/dbraw/zinc/51/22/52/615512252.db2.gz HGYBXOKGRCXZMF-ZDUSSCGKSA-N 2 2 266.341 0.869 20 10 CCCDLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCc3cccc(O)c32)CC1 ZINC000834543827 616223717 /nfs/dbraw/zinc/22/37/17/616223717.db2.gz HEOIZABVOKHJPC-CYBMUJFWSA-N 2 2 289.379 0.743 20 10 CCCDLP COC(=O)Cc1ccc(C[N@@H+]2C[C@H]3C[C@@]3([NH3+])C2)c(O)c1 ZINC001236023054 806529580 /nfs/dbraw/zinc/52/95/80/806529580.db2.gz NECQJTSHYJHTRZ-IUODEOHRSA-N 2 2 276.336 0.641 20 10 CCCDLP COC(=O)Cc1ccc(C[N@H+]2C[C@H]3C[C@@]3([NH3+])C2)c(O)c1 ZINC001236023054 806529582 /nfs/dbraw/zinc/52/95/82/806529582.db2.gz NECQJTSHYJHTRZ-IUODEOHRSA-N 2 2 276.336 0.641 20 10 CCCDLP C[C@H]([NH3+])C[N@H+](C)Cc1cc2c(cc1O)OCC[NH2+]C2 ZINC001236908437 806618784 /nfs/dbraw/zinc/61/87/84/806618784.db2.gz IXRKNFPBYXIYLF-JTQLQIEISA-N 3 2 265.357 0.653 20 10 CCCDLP C[C@H]([NH3+])C[N@@H+](C)Cc1cc2c(cc1O)OCC[NH2+]C2 ZINC001236908437 806618785 /nfs/dbraw/zinc/61/87/85/806618785.db2.gz IXRKNFPBYXIYLF-JTQLQIEISA-N 3 2 265.357 0.653 20 10 CCCDLP [NH3+]C[C@]1(O)CCCC[N@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001205688066 803156823 /nfs/dbraw/zinc/15/68/23/803156823.db2.gz DMQFNBGCQMDMDR-CQSZACIVSA-N 2 2 282.340 0.479 20 10 CCCDLP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001205688066 803156825 /nfs/dbraw/zinc/15/68/25/803156825.db2.gz DMQFNBGCQMDMDR-CQSZACIVSA-N 2 2 282.340 0.479 20 10 CCCDLP Cc1cc(C)c(CNC(=O)C2([NH3+])CC[NH2+]CC2)c(O)c1 ZINC001220825538 804673795 /nfs/dbraw/zinc/67/37/95/804673795.db2.gz LIHZNHZSMPWKCH-UHFFFAOYSA-N 2 2 277.368 0.706 20 10 CCCDLP CC[NH+](CC)C[C@H](O)C[NH2+]Cc1ccc(O)c(O)c1 ZINC001253210820 808032740 /nfs/dbraw/zinc/03/27/40/808032740.db2.gz OSYDDHZHDOPRAI-GFCCVEGCSA-N 2 2 268.357 0.890 20 10 CCCDLP COc1cc(Cl)cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c1O ZINC001205967343 848151603 /nfs/dbraw/zinc/15/16/03/848151603.db2.gz MDNPYSCCUQUEDO-GHMZBOCLSA-N 2 2 286.759 0.948 20 10 CCCDLP COc1cc(Cl)cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c1O ZINC001205967343 848151610 /nfs/dbraw/zinc/15/16/10/848151610.db2.gz MDNPYSCCUQUEDO-GHMZBOCLSA-N 2 2 286.759 0.948 20 10 CCCDLP COc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c(O)cc1O ZINC001205967635 848161161 /nfs/dbraw/zinc/16/11/61/848161161.db2.gz SMUWCRZKIJSQFG-BXKDBHETSA-N 2 2 268.313 0.000 20 10 CCCDLP COc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c(O)cc1O ZINC001205967635 848161167 /nfs/dbraw/zinc/16/11/67/848161167.db2.gz SMUWCRZKIJSQFG-BXKDBHETSA-N 2 2 268.313 0.000 20 10 CCCDLP Cc1ccc(O)c(C[N@@H+]2CCC[C@@]([NH3+])(CO)C2)c1 ZINC000904403031 634743015 /nfs/dbraw/zinc/74/30/15/634743015.db2.gz ZJRYBUIJWGGLNF-AWEZNQCLSA-N 2 2 250.342 0.986 20 10 CCCDLP Cc1ccc(O)c(C[N@H+]2CCC[C@@]([NH3+])(CO)C2)c1 ZINC000904403031 634743020 /nfs/dbraw/zinc/74/30/20/634743020.db2.gz ZJRYBUIJWGGLNF-AWEZNQCLSA-N 2 2 250.342 0.986 20 10 CCCDLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1c(O)cccc1F ZINC000886516674 647984815 /nfs/dbraw/zinc/98/48/15/647984815.db2.gz SYHVSGYSPWQJHF-LLVKDONJSA-N 2 2 295.358 0.956 20 10 CCCDLP [NH3+]C[C@H]1C[N@H+](Cc2cccc(Cl)c2O)C[C@@H]1O ZINC001206530631 803261688 /nfs/dbraw/zinc/26/16/88/803261688.db2.gz NFYOSILTKVHHRS-ONGXEEELSA-N 2 2 256.733 0.797 20 10 CCCDLP [NH3+]C[C@H]1C[N@@H+](Cc2cccc(Cl)c2O)C[C@@H]1O ZINC001206530631 803261692 /nfs/dbraw/zinc/26/16/92/803261692.db2.gz NFYOSILTKVHHRS-ONGXEEELSA-N 2 2 256.733 0.797 20 10 CCCDLP COc1cccc(O)c1C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000762556348 581951206 /nfs/dbraw/zinc/95/12/06/581951206.db2.gz NWGCFFXAWDZEHP-CQSZACIVSA-N 2 2 266.341 0.557 20 10 CCCDLP COc1cccc(O)c1C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000762556348 581951208 /nfs/dbraw/zinc/95/12/08/581951208.db2.gz NWGCFFXAWDZEHP-CQSZACIVSA-N 2 2 266.341 0.557 20 10 CCCDLP Oc1cc2c(cc1C[NH2+]C[C@@H]1C[NH2+]CCO1)OCO2 ZINC000841099759 642803468 /nfs/dbraw/zinc/80/34/68/642803468.db2.gz XOXXKIKKOYJQDM-JTQLQIEISA-N 2 2 266.297 0.199 20 10 CCCDLP Oc1ccc(F)cc1C[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235052566 806355058 /nfs/dbraw/zinc/35/50/58/806355058.db2.gz GAOFXWXCDNIKRB-AWEZNQCLSA-N 2 2 265.332 0.669 20 10 CCCDLP Oc1ccc(F)cc1C[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235052566 806355068 /nfs/dbraw/zinc/35/50/68/806355068.db2.gz GAOFXWXCDNIKRB-AWEZNQCLSA-N 2 2 265.332 0.669 20 10 CCCDLP [NH3+][C@@]12C[C@@H]1C[N@H+](Cc1ccc(N3CC[NH2+]CC3)cc1)C2 ZINC001236027385 806531314 /nfs/dbraw/zinc/53/13/14/806531314.db2.gz OQJDMJPRFRIFCI-GDBMZVCRSA-N 3 2 272.396 0.629 20 10 CCCDLP [NH3+][C@@]12C[C@@H]1C[N@@H+](Cc1ccc(N3CC[NH2+]CC3)cc1)C2 ZINC001236027385 806531320 /nfs/dbraw/zinc/53/13/20/806531320.db2.gz OQJDMJPRFRIFCI-GDBMZVCRSA-N 3 2 272.396 0.629 20 10 CCCDLP COc1cc(C[N@@H+]2CCCC[C@](O)(C[NH3+])C2)cc(O)c1O ZINC001205672654 803154849 /nfs/dbraw/zinc/15/48/49/803154849.db2.gz KDYAJUBTKHNHNQ-HNNXBMFYSA-N 2 2 296.367 0.782 20 10 CCCDLP COc1cc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)cc(O)c1O ZINC001205672654 803154850 /nfs/dbraw/zinc/15/48/50/803154850.db2.gz KDYAJUBTKHNHNQ-HNNXBMFYSA-N 2 2 296.367 0.782 20 10 CCCDLP CC[NH+](CC)C[C@@H](O)C[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001253175517 808017337 /nfs/dbraw/zinc/01/73/37/808017337.db2.gz NUCFWRZTMCXPIG-WFASDCNBSA-N 2 2 298.383 0.424 20 10 CCCDLP CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001161135153 840876621 /nfs/dbraw/zinc/87/66/21/840876621.db2.gz UKIALSMBXMVMNF-GJZGRUSLSA-N 2 2 290.411 0.648 20 10 CCCDLP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000717350223 848235982 /nfs/dbraw/zinc/23/59/82/848235982.db2.gz AWHUKAHZXGJVKE-VXGBXAGGSA-N 2 2 250.342 0.892 20 10 CCCDLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccccc1O ZINC000775130580 582012236 /nfs/dbraw/zinc/01/22/36/582012236.db2.gz MJDJYKGDTJXIOY-LBPRGKRZSA-N 2 2 277.368 0.817 20 10 CCCDLP C[N@@H+]1CCN(Cc2cc(F)ccc2O)[C@@H](C[NH3+])C1 ZINC000234361434 624909517 /nfs/dbraw/zinc/90/95/17/624909517.db2.gz XCYFQEQHTPJAQA-LBPRGKRZSA-N 2 2 253.321 0.606 20 10 CCCDLP C[N@H+]1CCN(Cc2cc(F)ccc2O)[C@@H](C[NH3+])C1 ZINC000234361434 624909519 /nfs/dbraw/zinc/90/95/19/624909519.db2.gz XCYFQEQHTPJAQA-LBPRGKRZSA-N 2 2 253.321 0.606 20 10 CCCDLP Oc1cc(O)c(CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)c(O)c1 ZINC001222502850 804908166 /nfs/dbraw/zinc/90/81/66/804908166.db2.gz USZWNOWQSIEUOU-STQMWFEESA-N 2 2 293.367 0.329 20 10 CCCDLP C[N@@H+]1C[C@H]2C[C@@H](C1)[NH+](Cc1c(O)cc(O)cc1O)C2 ZINC001275112965 848641305 /nfs/dbraw/zinc/64/13/05/848641305.db2.gz VGUGCEOIUXNDSU-ZJUUUORDSA-N 2 2 264.325 0.939 20 10 CCCDLP C[N@H+]1C[C@H]2C[C@@H](C1)[NH+](Cc1c(O)cc(O)cc1O)C2 ZINC001275112965 848641310 /nfs/dbraw/zinc/64/13/10/848641310.db2.gz VGUGCEOIUXNDSU-ZJUUUORDSA-N 2 2 264.325 0.939 20 10 CCCDLP C[NH+]1C[C@H]2C[C@@H](C1)[N@H+](Cc1c(O)cc(O)cc1O)C2 ZINC001275112965 848641314 /nfs/dbraw/zinc/64/13/14/848641314.db2.gz VGUGCEOIUXNDSU-ZJUUUORDSA-N 2 2 264.325 0.939 20 10 CCCDLP C[NH+]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1c(O)cc(O)cc1O)C2 ZINC001275112965 848641318 /nfs/dbraw/zinc/64/13/18/848641318.db2.gz VGUGCEOIUXNDSU-ZJUUUORDSA-N 2 2 264.325 0.939 20 10 CCCDLP CCOc1ccc(C[NH2+]C[C@H]2C[NH2+]CCO2)c(O)c1 ZINC000841099260 615511056 /nfs/dbraw/zinc/51/10/56/615511056.db2.gz NWCOIIAOKIBRNK-CYBMUJFWSA-N 2 2 266.341 0.869 20 10 CCCDLP CCOc1ccc(O)c(CN2CC[N@H+](C)C[C@@H]2C[NH3+])c1 ZINC000843120617 615512224 /nfs/dbraw/zinc/51/22/24/615512224.db2.gz RNBYURQZETYIEV-ZDUSSCGKSA-N 2 2 279.384 0.866 20 10 CCCDLP CCOc1ccc(O)c(CN2CC[N@@H+](C)C[C@@H]2C[NH3+])c1 ZINC000843120617 615512225 /nfs/dbraw/zinc/51/22/25/615512225.db2.gz RNBYURQZETYIEV-ZDUSSCGKSA-N 2 2 279.384 0.866 20 10 CCCDLP C[N@H+](CC[NH3+])Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000841100488 616247098 /nfs/dbraw/zinc/24/70/98/616247098.db2.gz IZWCTOQLTPQRIM-UHFFFAOYSA-N 3 2 262.401 0.829 20 10 CCCDLP C[N@@H+](CC[NH3+])Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000841100488 616247099 /nfs/dbraw/zinc/24/70/99/616247099.db2.gz IZWCTOQLTPQRIM-UHFFFAOYSA-N 3 2 262.401 0.829 20 10 CCCDLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000843066072 642985542 /nfs/dbraw/zinc/98/55/42/642985542.db2.gz RZCZJRWAPYCLLB-AWEZNQCLSA-N 2 2 289.379 0.788 20 10 CCCDLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000843066072 642985549 /nfs/dbraw/zinc/98/55/49/642985549.db2.gz RZCZJRWAPYCLLB-AWEZNQCLSA-N 2 2 289.379 0.788 20 10 CCCDLP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]Cc1ccc(O)c(O)c1 ZINC001253407375 808061264 /nfs/dbraw/zinc/06/12/64/808061264.db2.gz JIPMWUAYIXBCIQ-NSHDSACASA-N 2 2 268.357 0.936 20 10 CCCDLP CC[N@@H+](CCO)CC[NH2+]Cc1cc(OC)ccc1O ZINC000187569562 351546772 /nfs/dbraw/zinc/54/67/72/351546772.db2.gz UXAXRPJUWJUQKJ-UHFFFAOYSA-N 2 2 268.357 0.805 20 10 CCCDLP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1cccc(Cl)c1O ZINC000843044600 616044336 /nfs/dbraw/zinc/04/43/36/616044336.db2.gz LCFGQEJNBSMAMZ-UHFFFAOYSA-N 2 2 297.786 0.909 20 10 CCCDLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1cccc(Cl)c1O ZINC000843044600 616044337 /nfs/dbraw/zinc/04/43/37/616044337.db2.gz LCFGQEJNBSMAMZ-UHFFFAOYSA-N 2 2 297.786 0.909 20 10 CCCDLP Oc1cc(CN2CC[NH2+]C3(CC[NH2+]CC3)C2)cc(O)c1O ZINC001222100081 804870452 /nfs/dbraw/zinc/87/04/52/804870452.db2.gz ULYUPBGUYLVNSN-UHFFFAOYSA-N 2 2 293.367 0.331 20 10 CCCDLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001236171719 817134308 /nfs/dbraw/zinc/13/43/08/817134308.db2.gz VQFUVUDUBIIFAP-CQSZACIVSA-N 3 2 260.385 0.629 20 10 CCCDLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001236171719 817134315 /nfs/dbraw/zinc/13/43/15/817134315.db2.gz VQFUVUDUBIIFAP-CQSZACIVSA-N 3 2 260.385 0.629 20 10 CCCDLP COc1ccc(O)c(C[NH+]2CC(N3CC[NH+](C)CC3)C2)c1 ZINC001203680861 844865109 /nfs/dbraw/zinc/86/51/09/844865109.db2.gz HQFLMHSJNBKMMK-UHFFFAOYSA-N 2 2 291.395 0.832 20 10 CCCDLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1cc(F)ccc1O ZINC000756491711 581668387 /nfs/dbraw/zinc/66/83/87/581668387.db2.gz XZJAVDLXZRIFRP-LLVKDONJSA-N 2 2 295.358 0.956 20 10 CCCDLP COc1cccc(O)c1C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000762556345 581950901 /nfs/dbraw/zinc/95/09/01/581950901.db2.gz NWGCFFXAWDZEHP-AWEZNQCLSA-N 2 2 266.341 0.557 20 10 CCCDLP COc1cccc(O)c1C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000762556345 581950902 /nfs/dbraw/zinc/95/09/02/581950902.db2.gz NWGCFFXAWDZEHP-AWEZNQCLSA-N 2 2 266.341 0.557 20 10 CCCDLP COc1cccc([C@H](C)[NH2+]C[C@@H](O)C[NH+](C)C)c1O ZINC000846143712 617309135 /nfs/dbraw/zinc/30/91/35/617309135.db2.gz FXGLXWHXBSYLFM-WDEREUQCSA-N 2 2 268.357 0.974 20 10 CCCDLP Cc1cc(F)cc(C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c1O ZINC001235061407 806363568 /nfs/dbraw/zinc/36/35/68/806363568.db2.gz IPRQDQJQRXFHDA-OAHLLOKOSA-N 2 2 279.359 0.977 20 10 CCCDLP Cc1cc(F)cc(C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c1O ZINC001235061407 806363584 /nfs/dbraw/zinc/36/35/84/806363584.db2.gz IPRQDQJQRXFHDA-OAHLLOKOSA-N 2 2 279.359 0.977 20 10 CCCDLP [NH3+]C[C@H]1C[N@H+](Cc2cc(Cl)c(O)cc2O)C[C@H]1O ZINC001206481707 803251343 /nfs/dbraw/zinc/25/13/43/803251343.db2.gz ZGNLSNILEGSMHJ-QPUJVOFHSA-N 2 2 272.732 0.503 20 10 CCCDLP [NH3+]C[C@H]1C[N@@H+](Cc2cc(Cl)c(O)cc2O)C[C@H]1O ZINC001206481707 803251347 /nfs/dbraw/zinc/25/13/47/803251347.db2.gz ZGNLSNILEGSMHJ-QPUJVOFHSA-N 2 2 272.732 0.503 20 10 CCCDLP CC1(C[NH3+])C[NH+](Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001206723669 803282368 /nfs/dbraw/zinc/28/23/68/803282368.db2.gz RPSFTXLUJMAENK-UHFFFAOYSA-N 3 2 274.412 0.877 20 10 CCCDLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(Cl)cc2O)C[C@H]1O ZINC001205958916 848062941 /nfs/dbraw/zinc/06/29/41/848062941.db2.gz HFGLEMZYKDRXID-ZYHUDNBSSA-N 2 2 256.733 0.940 20 10 CCCDLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2O)C[C@H]1O ZINC001205958916 848062949 /nfs/dbraw/zinc/06/29/49/848062949.db2.gz HFGLEMZYKDRXID-ZYHUDNBSSA-N 2 2 256.733 0.940 20 10 CCCDLP Oc1cc2c(cc1C[NH2+]CCC[NH+]1CCOCC1)OCO2 ZINC000042879506 526337168 /nfs/dbraw/zinc/33/71/68/526337168.db2.gz GTTGXTLHCBWRFQ-UHFFFAOYSA-N 2 2 294.351 0.933 20 10 CCCDLP C[NH+](C)CCN1CC[N@H+](Cc2ccccc2O)CC1=O ZINC000846012111 615899386 /nfs/dbraw/zinc/89/93/86/615899386.db2.gz WYAPMHUTZGCUEE-UHFFFAOYSA-N 2 2 277.368 0.598 20 10 CCCDLP C[NH+](C)CCN1CC[N@@H+](Cc2ccccc2O)CC1=O ZINC000846012111 615899389 /nfs/dbraw/zinc/89/93/89/615899389.db2.gz WYAPMHUTZGCUEE-UHFFFAOYSA-N 2 2 277.368 0.598 20 10 CCCDLP OCC[NH2+]C1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000873217383 646359667 /nfs/dbraw/zinc/35/96/67/646359667.db2.gz KTPDMCMQGOYRPO-UHFFFAOYSA-N 2 2 294.351 0.667 20 10 CCCDLP Cc1cc(C)c(CNC(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)c(O)c1 ZINC001220826049 804675458 /nfs/dbraw/zinc/67/54/58/804675458.db2.gz YYJWDZVZUWZXAH-MLGOLLRUSA-N 2 2 289.379 0.577 20 10 CCCDLP Oc1cc(O)c(CC[NH2+][C@@H]2CCC[NH2+]C2)cc1O ZINC001246211535 807187931 /nfs/dbraw/zinc/18/79/31/807187931.db2.gz KNBSKMXOHNGLIR-SNVBAGLBSA-N 2 2 252.314 0.688 20 10 CCCDLP COc1cccc(CN2CC[N@H+](C)C[C@@H]2C[NH3+])c1O ZINC000226609877 815986844 /nfs/dbraw/zinc/98/68/44/815986844.db2.gz QIQUBCGKVFBJJX-LBPRGKRZSA-N 2 2 265.357 0.476 20 10 CCCDLP COc1cccc(CN2CC[N@@H+](C)C[C@@H]2C[NH3+])c1O ZINC000226609877 815986846 /nfs/dbraw/zinc/98/68/46/815986846.db2.gz QIQUBCGKVFBJJX-LBPRGKRZSA-N 2 2 265.357 0.476 20 10 CCCDLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2cccc(F)c2O)C1 ZINC000702593084 819148330 /nfs/dbraw/zinc/14/83/30/819148330.db2.gz IHKHLSOFXVBIBJ-CYBMUJFWSA-N 2 2 254.305 0.688 20 10 CCCDLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2cccc(F)c2O)C1 ZINC000702593084 819148334 /nfs/dbraw/zinc/14/83/34/819148334.db2.gz IHKHLSOFXVBIBJ-CYBMUJFWSA-N 2 2 254.305 0.688 20 10 CCCDLP COc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)C[NH+](C)C)c1 ZINC000717404010 848254497 /nfs/dbraw/zinc/25/44/97/848254497.db2.gz LBUIKXKJIHRYAV-QWRGUYRKSA-N 2 2 268.357 0.974 20 10 CCCDLP Cc1cccc(C[N@H+]2CCN(CC[NH+](C)C)C(=O)C2)c1O ZINC000846011615 643371475 /nfs/dbraw/zinc/37/14/75/643371475.db2.gz PMNLAAARPGFWTF-UHFFFAOYSA-N 2 2 291.395 0.906 20 10 CCCDLP Cc1cccc(C[N@@H+]2CCN(CC[NH+](C)C)C(=O)C2)c1O ZINC000846011615 643371477 /nfs/dbraw/zinc/37/14/77/643371477.db2.gz PMNLAAARPGFWTF-UHFFFAOYSA-N 2 2 291.395 0.906 20 10 CCCDLP Oc1ccc(F)c(F)c1CN1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001234991067 806338392 /nfs/dbraw/zinc/33/83/92/806338392.db2.gz PKLFTPQVVDRXSW-CQSZACIVSA-N 2 2 283.322 0.808 20 10 CCCDLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCc2cccc(O)c2C1 ZINC001160872309 802036905 /nfs/dbraw/zinc/03/69/05/802036905.db2.gz JAWJXNUWOIUVEN-FPMFFAJLSA-N 2 2 287.363 0.227 20 10 CCCDLP COc1cc(O)c(C[NH2+][C@@H]2CC[NH2+]C2)cc1OC ZINC000863488731 617207812 /nfs/dbraw/zinc/20/78/12/617207812.db2.gz COGUNPBYYVYLJD-SNVBAGLBSA-N 2 2 252.314 0.861 20 10 CCCDLP CCOc1ccc(O)c(CN2CC[N@H+](C)C[C@H]2C[NH3+])c1 ZINC000843120615 615512047 /nfs/dbraw/zinc/51/20/47/615512047.db2.gz RNBYURQZETYIEV-CYBMUJFWSA-N 2 2 279.384 0.866 20 10 CCCDLP CCOc1ccc(O)c(CN2CC[N@@H+](C)C[C@H]2C[NH3+])c1 ZINC000843120615 615512048 /nfs/dbraw/zinc/51/20/48/615512048.db2.gz RNBYURQZETYIEV-CYBMUJFWSA-N 2 2 279.384 0.866 20 10 CCCDLP C[N@@H+]1CCN(Cc2cc(F)ccc2O)[C@H](C[NH3+])C1 ZINC000300435256 616244902 /nfs/dbraw/zinc/24/49/02/616244902.db2.gz XCYFQEQHTPJAQA-GFCCVEGCSA-N 2 2 253.321 0.606 20 10 CCCDLP C[N@H+]1CCN(Cc2cc(F)ccc2O)[C@H](C[NH3+])C1 ZINC000300435256 616244903 /nfs/dbraw/zinc/24/49/03/616244903.db2.gz XCYFQEQHTPJAQA-GFCCVEGCSA-N 2 2 253.321 0.606 20 10 CCCDLP Cc1ccc(O)c(C[N@H+]2CCN(CC[NH+](C)C)C(=O)C2)c1 ZINC000846012255 643371629 /nfs/dbraw/zinc/37/16/29/643371629.db2.gz YFZREKIGHWFYIV-UHFFFAOYSA-N 2 2 291.395 0.906 20 10 CCCDLP Cc1ccc(O)c(C[N@@H+]2CCN(CC[NH+](C)C)C(=O)C2)c1 ZINC000846012255 643371634 /nfs/dbraw/zinc/37/16/34/643371634.db2.gz YFZREKIGHWFYIV-UHFFFAOYSA-N 2 2 291.395 0.906 20 10 CCCDLP [NH3+]C[C@H]1CCC[N@@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001236251270 806556955 /nfs/dbraw/zinc/55/69/55/806556955.db2.gz RKMSKJHORPKSEO-OAHLLOKOSA-N 3 2 290.411 0.725 20 10 CCCDLP [NH3+]C[C@H]1CCC[N@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001236251270 806556960 /nfs/dbraw/zinc/55/69/60/806556960.db2.gz RKMSKJHORPKSEO-OAHLLOKOSA-N 3 2 290.411 0.725 20 10 CCCDLP COC(=O)Cc1ccc(C[N@H+](C)C[C@H](C)[NH3+])c(O)c1 ZINC001236907651 806618680 /nfs/dbraw/zinc/61/86/80/806618680.db2.gz CYAJRMBYJOQCOT-JTQLQIEISA-N 2 2 266.341 0.887 20 10 CCCDLP COC(=O)Cc1ccc(C[N@@H+](C)C[C@H](C)[NH3+])c(O)c1 ZINC001236907651 806618683 /nfs/dbraw/zinc/61/86/83/806618683.db2.gz CYAJRMBYJOQCOT-JTQLQIEISA-N 2 2 266.341 0.887 20 10 CCCDLP C[NH+](C)C[C@@H](O)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000717350219 848236401 /nfs/dbraw/zinc/23/64/01/848236401.db2.gz AWHUKAHZXGJVKE-RYUDHWBXSA-N 2 2 250.342 0.892 20 10 CCCDLP COc1c(O)c(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000774914217 582002333 /nfs/dbraw/zinc/00/23/33/582002333.db2.gz MICGFSKGMLMKOG-PHIMTYICSA-N 2 2 293.323 0.960 20 10 CCCDLP COc1c(O)c(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000774914217 582002335 /nfs/dbraw/zinc/00/23/35/582002335.db2.gz MICGFSKGMLMKOG-PHIMTYICSA-N 2 2 293.323 0.960 20 10 CCCDLP COc1ccc(O)c(C[NH2+]C[C@H]2C[NH2+]CCO2)c1 ZINC000841099632 617273246 /nfs/dbraw/zinc/27/32/46/617273246.db2.gz UJUGYOACGXKCRP-GFCCVEGCSA-N 2 2 252.314 0.479 20 10 CCCDLP COc1c(O)c(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)ccc1[N+](=O)[O-] ZINC000841079452 617149109 /nfs/dbraw/zinc/14/91/09/617149109.db2.gz IGVUNPFXFBEMRQ-JZYVYDRUSA-N 2 2 279.296 0.616 20 10 CCCDLP [NH3+][C@@]12C[C@@H]1C[N@H+](Cc1ccc(N3CC[NH2+]CC3)cc1O)C2 ZINC001236031572 806532358 /nfs/dbraw/zinc/53/23/58/806532358.db2.gz XKCXASLJMSIYSM-CZUORRHYSA-N 3 2 288.395 0.335 20 10 CCCDLP [NH3+][C@@]12C[C@@H]1C[N@@H+](Cc1ccc(N3CC[NH2+]CC3)cc1O)C2 ZINC001236031572 806532363 /nfs/dbraw/zinc/53/23/63/806532363.db2.gz XKCXASLJMSIYSM-CZUORRHYSA-N 3 2 288.395 0.335 20 10 CCCDLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)C1 ZINC001236171983 806546608 /nfs/dbraw/zinc/54/66/08/806546608.db2.gz FQDUAJGDVHJMAK-CYBMUJFWSA-N 3 2 276.384 0.335 20 10 CCCDLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)C1 ZINC001236171983 806546612 /nfs/dbraw/zinc/54/66/12/806546612.db2.gz FQDUAJGDVHJMAK-CYBMUJFWSA-N 3 2 276.384 0.335 20 10 CCCDLP [NH3+]C[C@H]1C[N@H+](Cc2c(O)ccc(F)c2Cl)C[C@H]1O ZINC001206492198 803253525 /nfs/dbraw/zinc/25/35/25/803253525.db2.gz RKACNKRJLZANKF-WRWORJQWSA-N 2 2 274.723 0.936 20 10 CCCDLP [NH3+]C[C@H]1C[N@@H+](Cc2c(O)ccc(F)c2Cl)C[C@H]1O ZINC001206492198 803253529 /nfs/dbraw/zinc/25/35/29/803253529.db2.gz RKACNKRJLZANKF-WRWORJQWSA-N 2 2 274.723 0.936 20 10 CCCDLP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CNOC3)cc2F)CC1 ZINC001336120147 920618189 /nfs/dbraw/zinc/61/81/89/920618189.db2.gz WLJFXOYBGOTWPI-CYBMUJFWSA-N 2 2 294.374 0.571 20 10 CCCDLP COc1ccc(N2CC[NH+](CCNC(N)=[NH2+])CC2)cc1 ZINC000071628306 348909830 /nfs/dbraw/zinc/90/98/30/348909830.db2.gz LVXASEIGMLYQJZ-UHFFFAOYSA-N 2 2 277.372 0.300 20 10 CCCDLP C[N@@H+]1CCN(Cc2cc3c(cc2O)OCO3)[C@H](C[NH3+])C1 ZINC000843120384 616245359 /nfs/dbraw/zinc/24/53/59/616245359.db2.gz IEIZJPDQUXKNKG-LLVKDONJSA-N 2 2 279.340 0.196 20 10 CCCDLP C[N@H+]1CCN(Cc2cc3c(cc2O)OCO3)[C@H](C[NH3+])C1 ZINC000843120384 616245360 /nfs/dbraw/zinc/24/53/60/616245360.db2.gz IEIZJPDQUXKNKG-LLVKDONJSA-N 2 2 279.340 0.196 20 10 CCCDLP C[C@H]1CNCC[N@@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001235360333 806411357 /nfs/dbraw/zinc/41/13/57/806411357.db2.gz FBUYWEZQEAIGJX-ZDUSSCGKSA-N 2 2 290.411 0.596 20 10 CCCDLP C[C@H]1CNCC[N@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001235360333 806411365 /nfs/dbraw/zinc/41/13/65/806411365.db2.gz FBUYWEZQEAIGJX-ZDUSSCGKSA-N 2 2 290.411 0.596 20 10 CCCDLP COc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c(O)c(OC)c1 ZINC001205973491 803195091 /nfs/dbraw/zinc/19/50/91/803195091.db2.gz VVXUVZFIEWBGPQ-VXGBXAGGSA-N 2 2 282.340 0.303 20 10 CCCDLP COc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c(O)c(OC)c1 ZINC001205973491 803195094 /nfs/dbraw/zinc/19/50/94/803195094.db2.gz VVXUVZFIEWBGPQ-VXGBXAGGSA-N 2 2 282.340 0.303 20 10 CCCDLP Cc1cc(C)c(CNC(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)c(O)c1 ZINC001220826047 804675879 /nfs/dbraw/zinc/67/58/79/804675879.db2.gz YYJWDZVZUWZXAH-BLLLJJGKSA-N 2 2 289.379 0.577 20 10 CCCDLP C[C@H]1CC[C@@H]([NH2+]C[C@H](O)c2ccc(O)c(O)c2)C[NH2+]1 ZINC001246182616 807178827 /nfs/dbraw/zinc/17/88/27/807178827.db2.gz BFWZRGXVYOUIQF-PXWWUCIGSA-N 2 2 266.341 0.861 20 10 CCCDLP C[N@H+](CC(N)=O)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001319933623 910357159 /nfs/dbraw/zinc/35/71/59/910357159.db2.gz MKGRKUARQMHFRE-UHFFFAOYSA-N 2 2 294.374 0.495 20 10 CCCDLP C[N@@H+](CC(N)=O)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001319933623 910357169 /nfs/dbraw/zinc/35/71/69/910357169.db2.gz MKGRKUARQMHFRE-UHFFFAOYSA-N 2 2 294.374 0.495 20 10 CCCDLP COc1ccc(O)c(C[NH2+]C[C@H]2C[N@H+](C)CCN2C)c1 ZINC000225329567 352002063 /nfs/dbraw/zinc/00/20/63/352002063.db2.gz HGOIVIPDYSRRHT-ZDUSSCGKSA-N 2 2 279.384 0.736 20 10 CCCDLP COc1ccc(O)c(C[NH2+]C[C@H]2C[N@@H+](C)CCN2C)c1 ZINC000225329567 352002065 /nfs/dbraw/zinc/00/20/65/352002065.db2.gz HGOIVIPDYSRRHT-ZDUSSCGKSA-N 2 2 279.384 0.736 20 10 CCCDLP Cc1cc(F)cc(C[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)c1O ZINC001235061405 806364762 /nfs/dbraw/zinc/36/47/62/806364762.db2.gz IPRQDQJQRXFHDA-HNNXBMFYSA-N 2 2 279.359 0.977 20 10 CCCDLP Cc1cc(F)cc(C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)c1O ZINC001235061405 806364772 /nfs/dbraw/zinc/36/47/72/806364772.db2.gz IPRQDQJQRXFHDA-HNNXBMFYSA-N 2 2 279.359 0.977 20 10 CCCDLP COc1cc(C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c(O)cc1O ZINC001235065314 806368715 /nfs/dbraw/zinc/36/87/15/806368715.db2.gz WHLIKFNNKAUZIY-OAHLLOKOSA-N 2 2 293.367 0.244 20 10 CCCDLP COc1cc(C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c(O)cc1O ZINC001235065314 806368724 /nfs/dbraw/zinc/36/87/24/806368724.db2.gz WHLIKFNNKAUZIY-OAHLLOKOSA-N 2 2 293.367 0.244 20 10 CCCDLP [NH3+]C[C@H]1C[N@H+](Cc2c(O)ccc(F)c2Cl)C[C@@H]1O ZINC001206535812 843897277 /nfs/dbraw/zinc/89/72/77/843897277.db2.gz RKACNKRJLZANKF-CPCISQLKSA-N 2 2 274.723 0.936 20 10 CCCDLP [NH3+]C[C@H]1C[N@@H+](Cc2c(O)ccc(F)c2Cl)C[C@@H]1O ZINC001206535812 843897289 /nfs/dbraw/zinc/89/72/89/843897289.db2.gz RKACNKRJLZANKF-CPCISQLKSA-N 2 2 274.723 0.936 20 10 CCCDLP C[N@@H+]1CCN(Cc2cc3c(cc2O)OCO3)[C@@H](C[NH3+])C1 ZINC000843120385 616245221 /nfs/dbraw/zinc/24/52/21/616245221.db2.gz IEIZJPDQUXKNKG-NSHDSACASA-N 2 2 279.340 0.196 20 10 CCCDLP C[N@H+]1CCN(Cc2cc3c(cc2O)OCO3)[C@@H](C[NH3+])C1 ZINC000843120385 616245222 /nfs/dbraw/zinc/24/52/22/616245222.db2.gz IEIZJPDQUXKNKG-NSHDSACASA-N 2 2 279.340 0.196 20 10 CCCDLP Cc1cccc(C[N@@H+]2CCC[C@]([NH3+])(CO)C2)c1O ZINC000904402780 634742172 /nfs/dbraw/zinc/74/21/72/634742172.db2.gz SFXBLZHYXWHGRP-CQSZACIVSA-N 2 2 250.342 0.986 20 10 CCCDLP Cc1cccc(C[N@H+]2CCC[C@]([NH3+])(CO)C2)c1O ZINC000904402780 634742176 /nfs/dbraw/zinc/74/21/76/634742176.db2.gz SFXBLZHYXWHGRP-CQSZACIVSA-N 2 2 250.342 0.986 20 10 CCCDLP COc1ccc(C[NH+]2CC(N3CC[NH+](C)CC3)C2)c(O)c1 ZINC001203634846 803040318 /nfs/dbraw/zinc/04/03/18/803040318.db2.gz XVVJRWMWCXUISB-UHFFFAOYSA-N 2 2 291.395 0.832 20 10 CCCDLP Cc1ccc(C)c(C[N@@H+]2CC[C@@H](O)[C@H]([NH3+])C2)c1O ZINC001206092464 803205996 /nfs/dbraw/zinc/20/59/96/803205996.db2.gz HVSSZLMTPGHAGC-CHWSQXEVSA-N 2 2 250.342 0.903 20 10 CCCDLP Cc1ccc(C)c(C[N@H+]2CC[C@@H](O)[C@H]([NH3+])C2)c1O ZINC001206092464 803205998 /nfs/dbraw/zinc/20/59/98/803205998.db2.gz HVSSZLMTPGHAGC-CHWSQXEVSA-N 2 2 250.342 0.903 20 10 CCCDLP Cc1cc(C)c(CNC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)c(O)c1 ZINC001220825449 804674765 /nfs/dbraw/zinc/67/47/65/804674765.db2.gz IAPADHHHIFVENZ-IOASZLSFSA-N 2 2 289.379 0.847 20 10 CCCDLP C[C@@H]1C[NH2+]CC[N@H+](Cc2cc3c(cc2O)OCC[NH2+]C3)C1 ZINC001206277621 842384848 /nfs/dbraw/zinc/38/48/48/842384848.db2.gz VSJKKDOZHYCLHD-GFCCVEGCSA-N 3 2 291.395 0.916 20 10 CCCDLP C[C@@H]1C[NH2+]CC[N@@H+](Cc2cc3c(cc2O)OCC[NH2+]C3)C1 ZINC001206277621 842384862 /nfs/dbraw/zinc/38/48/62/842384862.db2.gz VSJKKDOZHYCLHD-GFCCVEGCSA-N 3 2 291.395 0.916 20 10 CCCDLP COc1cc(O)c(C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)cc1OC ZINC001205973304 848202002 /nfs/dbraw/zinc/20/20/02/848202002.db2.gz NNGBXEGTNHUKQJ-ZYHUDNBSSA-N 2 2 282.340 0.303 20 10 CCCDLP COc1cc(O)c(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)cc1OC ZINC001205973304 848202011 /nfs/dbraw/zinc/20/20/11/848202011.db2.gz NNGBXEGTNHUKQJ-ZYHUDNBSSA-N 2 2 282.340 0.303 20 10 CCCDLP COC[C@@]1(C[NH2+]Cc2cc3c(cc2O)OCO3)CCC[NH2+]1 ZINC000841066764 617045172 /nfs/dbraw/zinc/04/51/72/617045172.db2.gz GTZQCHGPSLDEFR-HNNXBMFYSA-N 2 2 294.351 0.979 20 10 CCCDLP COc1ccc(O)c(C[NH2+]C[C@@H]2C[NH2+]CCO2)c1 ZINC000841099633 617273270 /nfs/dbraw/zinc/27/32/70/617273270.db2.gz UJUGYOACGXKCRP-LBPRGKRZSA-N 2 2 252.314 0.479 20 10 CCCDLP CN(C)c1ccc(C[NH2+]C[C@@H]2C[NH2+]CCO2)cc1F ZINC000841098152 616016008 /nfs/dbraw/zinc/01/60/08/616016008.db2.gz DRTUTIIIBRGEMX-LBPRGKRZSA-N 2 2 267.348 0.970 20 10 CCCDLP C[NH+]1CCN(C2C[NH+](Cc3cc(F)ccc3O)C2)CC1 ZINC001140060060 799878487 /nfs/dbraw/zinc/87/84/87/799878487.db2.gz JGBRLAZIESSYNG-UHFFFAOYSA-N 2 2 279.359 0.963 20 10 CCCDLP Cc1c(O)ccc(C[NH+]2CC(N3CC[NH+](C)CC3)C2)c1O ZINC001140749616 799938965 /nfs/dbraw/zinc/93/89/65/799938965.db2.gz GJYLQVRDNOZQPC-UHFFFAOYSA-N 2 2 291.395 0.838 20 10 CCCDLP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000717350212 848236523 /nfs/dbraw/zinc/23/65/23/848236523.db2.gz AWHUKAHZXGJVKE-NEPJUHHUSA-N 2 2 250.342 0.892 20 10 CCCDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)C[NH+](C)C)c1 ZINC000756557322 581671110 /nfs/dbraw/zinc/67/11/10/581671110.db2.gz SCSPCZMINJIXGX-PWSUYJOCSA-N 2 2 296.367 0.752 20 10 CCCDLP CCOc1cccc(C[NH2+]C[C@H]2C[NH2+]CCO2)c1O ZINC000841099674 615516762 /nfs/dbraw/zinc/51/67/62/615516762.db2.gz VOBQXZPBQAFRHM-GFCCVEGCSA-N 2 2 266.341 0.869 20 10 CCCDLP Oc1ccc(O)c(C[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)c1 ZINC001235060689 806361972 /nfs/dbraw/zinc/36/19/72/806361972.db2.gz IMILCPBOPWSCRJ-AWEZNQCLSA-N 2 2 263.341 0.235 20 10 CCCDLP Oc1ccc(O)c(C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)c1 ZINC001235060689 806361981 /nfs/dbraw/zinc/36/19/81/806361981.db2.gz IMILCPBOPWSCRJ-AWEZNQCLSA-N 2 2 263.341 0.235 20 10 CCCDLP COc1cc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])cc(O)c1O ZINC001235990662 806521964 /nfs/dbraw/zinc/52/19/64/806521964.db2.gz ADCOZQLEDHKEEB-BVUQATHDSA-N 2 2 294.351 0.512 20 10 CCCDLP COc1cc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])cc(O)c1O ZINC001235990662 806521972 /nfs/dbraw/zinc/52/19/72/806521972.db2.gz ADCOZQLEDHKEEB-BVUQATHDSA-N 2 2 294.351 0.512 20 10 CCCDLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccccc1O ZINC000775130578 582012319 /nfs/dbraw/zinc/01/23/19/582012319.db2.gz MJDJYKGDTJXIOY-GFCCVEGCSA-N 2 2 277.368 0.817 20 10 CCCDLP [NH3+][C@H]1CC[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)C1 ZINC001236171990 806546800 /nfs/dbraw/zinc/54/68/00/806546800.db2.gz FQDUAJGDVHJMAK-ZDUSSCGKSA-N 3 2 276.384 0.335 20 10 CCCDLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)C1 ZINC001236171990 806546807 /nfs/dbraw/zinc/54/68/07/806546807.db2.gz FQDUAJGDVHJMAK-ZDUSSCGKSA-N 3 2 276.384 0.335 20 10 CCCDLP COc1cc(C[N@@H+]2CCCC[C@@](O)(C[NH3+])C2)cc(O)c1O ZINC001205672669 803154773 /nfs/dbraw/zinc/15/47/73/803154773.db2.gz KDYAJUBTKHNHNQ-OAHLLOKOSA-N 2 2 296.367 0.782 20 10 CCCDLP COc1cc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)cc(O)c1O ZINC001205672669 803154777 /nfs/dbraw/zinc/15/47/77/803154777.db2.gz KDYAJUBTKHNHNQ-OAHLLOKOSA-N 2 2 296.367 0.782 20 10 CCCDLP C[C@@H]1C[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C[C@H]1[NH3+] ZINC001206065464 838019785 /nfs/dbraw/zinc/01/97/85/838019785.db2.gz WULMAUCVTVACHQ-CZUORRHYSA-N 3 2 274.412 0.875 20 10 CCCDLP C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C[C@H]1[NH3+] ZINC001206065464 838019796 /nfs/dbraw/zinc/01/97/96/838019796.db2.gz WULMAUCVTVACHQ-CZUORRHYSA-N 3 2 274.412 0.875 20 10 CCCDLP C[NH+](C)C[C@@H](O)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000717350216 848236249 /nfs/dbraw/zinc/23/62/49/848236249.db2.gz AWHUKAHZXGJVKE-NWDGAFQWSA-N 2 2 250.342 0.892 20 10 CCCDLP C[NH+](C)CCOCC[NH2+]Cc1cc([N+](=O)[O-])ccc1O ZINC000779432127 581185519 /nfs/dbraw/zinc/18/55/19/581185519.db2.gz KXCBXUYQRKGQBF-UHFFFAOYSA-N 2 2 283.328 0.968 20 10 CCCDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CCNC(=O)C3)cc2)CC1 ZINC000775642934 582032584 /nfs/dbraw/zinc/03/25/84/582032584.db2.gz PQUVSZAIUDNBGR-UHFFFAOYSA-N 2 2 288.395 0.370 20 10 CCCDLP C[NH+]1CCN(c2ccc(C[N@H+]3CCNC(=O)C3)cc2)CC1 ZINC000775642934 582032586 /nfs/dbraw/zinc/03/25/86/582032586.db2.gz PQUVSZAIUDNBGR-UHFFFAOYSA-N 2 2 288.395 0.370 20 10 CCCDLP COc1cccc(O)c1C[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000841099214 642803520 /nfs/dbraw/zinc/80/35/20/642803520.db2.gz MCIWOSLMURKDSM-SNVBAGLBSA-N 2 2 252.314 0.479 20 10 CCCDLP Oc1cc2c(cc1C[NH2+]CC13CC(C1)C[NH2+]3)OCO2 ZINC000853246744 644094024 /nfs/dbraw/zinc/09/40/24/644094024.db2.gz RSHFZWGGYBKUIO-UHFFFAOYSA-N 2 2 262.309 0.963 20 10 CCCDLP C[C@H]([NH3+])C[N@H+](C)Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001236899003 806617988 /nfs/dbraw/zinc/61/79/88/806617988.db2.gz FRXKIDIICRCLQF-ZDUSSCGKSA-N 3 2 262.401 0.875 20 10 CCCDLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001236899003 806617995 /nfs/dbraw/zinc/61/79/95/806617995.db2.gz FRXKIDIICRCLQF-ZDUSSCGKSA-N 3 2 262.401 0.875 20 10 CCCDLP [NH3+][C@@H]1CC[N@H+](Cc2c(O)cccc2Cl)C[C@H]1O ZINC001205958718 803192017 /nfs/dbraw/zinc/19/20/17/803192017.db2.gz FABMFPNIJCDCHL-ZYHUDNBSSA-N 2 2 256.733 0.940 20 10 CCCDLP [NH3+][C@@H]1CC[N@@H+](Cc2c(O)cccc2Cl)C[C@H]1O ZINC001205958718 803192020 /nfs/dbraw/zinc/19/20/20/803192020.db2.gz FABMFPNIJCDCHL-ZYHUDNBSSA-N 2 2 256.733 0.940 20 10 CCCDLP COc1ccc(C[N@@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)c(O)c1 ZINC001222491981 804904379 /nfs/dbraw/zinc/90/43/79/804904379.db2.gz MBMPYYIBINNSED-GJZGRUSLSA-N 2 2 291.395 0.927 20 10 CCCDLP COc1ccc(C[N@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)c(O)c1 ZINC001222491981 804904383 /nfs/dbraw/zinc/90/43/83/804904383.db2.gz MBMPYYIBINNSED-GJZGRUSLSA-N 2 2 291.395 0.927 20 10 CCCDLP COc1ccc(CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)c(O)c1 ZINC001222491981 804904386 /nfs/dbraw/zinc/90/43/86/804904386.db2.gz MBMPYYIBINNSED-GJZGRUSLSA-N 2 2 291.395 0.927 20 10 CCCDLP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1cc(Cl)ccc1O ZINC000038030936 174022802 /nfs/dbraw/zinc/02/28/02/174022802.db2.gz UOCXDZNIESSMDQ-UHFFFAOYSA-N 2 2 297.786 0.909 20 10 CCCDLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1cc(Cl)ccc1O ZINC000038030936 174022805 /nfs/dbraw/zinc/02/28/05/174022805.db2.gz UOCXDZNIESSMDQ-UHFFFAOYSA-N 2 2 297.786 0.909 20 10 CCCDLP C[NH+]1CCN(C(=O)C[NH2+]Cc2c(O)cccc2Cl)CC1 ZINC000749922433 582027062 /nfs/dbraw/zinc/02/70/62/582027062.db2.gz BVKZTVAMODBLCV-UHFFFAOYSA-N 2 2 297.786 0.909 20 10 CCCDLP COCC[N@H+](C)C[C@H](O)C[NH+](C)Cc1ccccc1O ZINC000821391551 616965864 /nfs/dbraw/zinc/96/58/64/616965864.db2.gz OAYZCWRLLXZOFX-AWEZNQCLSA-N 2 2 282.384 0.763 20 10 CCCDLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)Cc1ccccc1O ZINC000821391551 616965868 /nfs/dbraw/zinc/96/58/68/616965868.db2.gz OAYZCWRLLXZOFX-AWEZNQCLSA-N 2 2 282.384 0.763 20 10 CCCDLP COCC[NH+](C)C[C@H](O)C[N@H+](C)Cc1ccccc1O ZINC000821391551 616965873 /nfs/dbraw/zinc/96/58/73/616965873.db2.gz OAYZCWRLLXZOFX-AWEZNQCLSA-N 2 2 282.384 0.763 20 10 CCCDLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)Cc1ccccc1O ZINC000821391551 616965877 /nfs/dbraw/zinc/96/58/77/616965877.db2.gz OAYZCWRLLXZOFX-AWEZNQCLSA-N 2 2 282.384 0.763 20 10 CCCDLP C[N@H+](CCN1CC[NH+](C)CC1)Cc1cc(O)c(O)c(O)c1 ZINC001233017747 806009610 /nfs/dbraw/zinc/00/96/10/806009610.db2.gz ZYHWUQWUXZOXEX-UHFFFAOYSA-N 2 2 295.383 0.483 20 10 CCCDLP [NH3+]C[C@H]1C[N@H+](Cc2cc(F)c(Cl)cc2O)C[C@@H]1O ZINC001206535271 803263070 /nfs/dbraw/zinc/26/30/70/803263070.db2.gz HOROBYMOQOSZHV-UFBFGSQYSA-N 2 2 274.723 0.936 20 10 CCCDLP [NH3+]C[C@H]1C[N@@H+](Cc2cc(F)c(Cl)cc2O)C[C@@H]1O ZINC001206535271 803263073 /nfs/dbraw/zinc/26/30/73/803263073.db2.gz HOROBYMOQOSZHV-UFBFGSQYSA-N 2 2 274.723 0.936 20 10 CCCDLP Oc1ccc([C@@H](O)C[NH2+][C@H]2CCC[NH2+]C2)cc1O ZINC001246074844 807142520 /nfs/dbraw/zinc/14/25/20/807142520.db2.gz QYTDFHCQLHGNPA-GWCFXTLKSA-N 2 2 252.314 0.473 20 10 CCCDLP c1cc(N2CCOCC2)ccc1C[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000841098501 642803465 /nfs/dbraw/zinc/80/34/65/642803465.db2.gz HCHFDLDQBIZTKQ-INIZCTEOSA-N 2 2 291.395 0.601 20 10 CCCDLP C[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000863487743 645101874 /nfs/dbraw/zinc/10/18/74/645101874.db2.gz WGHFXPXOPKNMPV-WCBMZHEXSA-N 2 2 250.298 0.961 20 10 CCCDLP Cc1cc(C)c(CNC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)c(O)c1 ZINC001220825424 804673873 /nfs/dbraw/zinc/67/38/73/804673873.db2.gz GYTSMWFEHRKJOH-ZDUSSCGKSA-N 2 2 288.351 0.918 20 10 CCCDLP Oc1cc(O)c(CC[NH2+][C@H]2CCC[NH2+]C2)cc1O ZINC001246211534 807188213 /nfs/dbraw/zinc/18/82/13/807188213.db2.gz KNBSKMXOHNGLIR-JTQLQIEISA-N 2 2 252.314 0.688 20 10 CCCDLP COc1cccc(C[NH2+]C[C@H]2C[N@H+](C)CCN2C)c1O ZINC000225313573 352001075 /nfs/dbraw/zinc/00/10/75/352001075.db2.gz XYZLJLDHJUGYLC-ZDUSSCGKSA-N 2 2 279.384 0.736 20 10 CCCDLP COc1cc(C[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)c(O)cc1O ZINC001235065310 806367392 /nfs/dbraw/zinc/36/73/92/806367392.db2.gz WHLIKFNNKAUZIY-HNNXBMFYSA-N 2 2 293.367 0.244 20 10 CCCDLP COc1cc(C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)c(O)cc1O ZINC001235065310 806367399 /nfs/dbraw/zinc/36/73/99/806367399.db2.gz WHLIKFNNKAUZIY-HNNXBMFYSA-N 2 2 293.367 0.244 20 10 CCCDLP Cc1cc(C)c(CNC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])c(O)c1 ZINC001220825462 804673899 /nfs/dbraw/zinc/67/38/99/804673899.db2.gz IQKAXXUBKFVMTJ-RYUDHWBXSA-N 2 2 263.341 0.172 20 10 CCCDLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]Cc1cc(F)ccc1O ZINC000226608301 333266098 /nfs/dbraw/zinc/26/60/98/333266098.db2.gz OIWAIJGGMBFQMQ-ZDUSSCGKSA-N 2 2 267.348 0.867 20 10 CCCDLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]Cc1cc(F)ccc1O ZINC000226608301 333266100 /nfs/dbraw/zinc/26/61/00/333266100.db2.gz OIWAIJGGMBFQMQ-ZDUSSCGKSA-N 2 2 267.348 0.867 20 10 CCCDLP COc1ccc(O)c(C[NH2+]C[C@@H]2C[N@H+](C)CCN2C)c1 ZINC000068803535 524753570 /nfs/dbraw/zinc/75/35/70/524753570.db2.gz HGOIVIPDYSRRHT-CYBMUJFWSA-N 2 2 279.384 0.736 20 10 CCCDLP COc1ccc(O)c(C[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)c1 ZINC000068803535 524753577 /nfs/dbraw/zinc/75/35/77/524753577.db2.gz HGOIVIPDYSRRHT-CYBMUJFWSA-N 2 2 279.384 0.736 20 10 CCCDLP [NH3+]C[C@H]1C[N@H+](Cc2cc(F)c(Cl)cc2O)C[C@H]1O ZINC001206491178 803253564 /nfs/dbraw/zinc/25/35/64/803253564.db2.gz HOROBYMOQOSZHV-QPUJVOFHSA-N 2 2 274.723 0.936 20 10 CCCDLP [NH3+]C[C@H]1C[N@@H+](Cc2cc(F)c(Cl)cc2O)C[C@H]1O ZINC001206491178 803253567 /nfs/dbraw/zinc/25/35/67/803253567.db2.gz HOROBYMOQOSZHV-QPUJVOFHSA-N 2 2 274.723 0.936 20 10 CCCDLP COc1cccc(O)c1C[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000841099213 642803454 /nfs/dbraw/zinc/80/34/54/642803454.db2.gz MCIWOSLMURKDSM-JTQLQIEISA-N 2 2 252.314 0.479 20 10 CCCDLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1ccccc1O ZINC000858224423 644600036 /nfs/dbraw/zinc/60/00/36/644600036.db2.gz FTBZFCRGCLGXAL-ZDUSSCGKSA-N 2 2 277.368 0.822 20 10 CCCDLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1c(O)cccc1F ZINC000886516675 647985083 /nfs/dbraw/zinc/98/50/83/647985083.db2.gz SYHVSGYSPWQJHF-NSHDSACASA-N 2 2 295.358 0.956 20 10 CCCDLP Oc1c(F)cccc1CN1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001234982795 806327005 /nfs/dbraw/zinc/32/70/05/806327005.db2.gz QOQWPWHUMUXOSP-AWEZNQCLSA-N 2 2 265.332 0.669 20 10 CCCDLP c1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1C[C@@H]2C[NH2+]CC[C@@H]21 ZINC001235254619 806393971 /nfs/dbraw/zinc/39/39/71/806393971.db2.gz CMFPAHRROZEQNG-RDJZCZTQSA-N 3 2 286.423 0.890 20 10 CCCDLP c1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1C[C@@H]2C[NH2+]CC[C@@H]21 ZINC001235254619 806393975 /nfs/dbraw/zinc/39/39/75/806393975.db2.gz CMFPAHRROZEQNG-RDJZCZTQSA-N 3 2 286.423 0.890 20 10 CCCDLP Cc1cc(C)c(CNC(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)c(O)c1 ZINC001220826050 804676120 /nfs/dbraw/zinc/67/61/20/804676120.db2.gz YYJWDZVZUWZXAH-WBMJQRKESA-N 2 2 289.379 0.577 20 10 CCCDLP C[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)c2ccc(O)c(O)c2)C[NH2+]1 ZINC001246071642 807140719 /nfs/dbraw/zinc/14/07/19/807140719.db2.gz BFWZRGXVYOUIQF-GLXFQSAKSA-N 2 2 266.341 0.861 20 10 CCCDLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000225319946 352001126 /nfs/dbraw/zinc/00/11/26/352001126.db2.gz IJYHSDQHFGPGGJ-HNNXBMFYSA-N 2 2 275.396 0.957 20 10 CCCDLP C[N@@H+](Cc1cccc(Br)c1O)C[C@@H](O)C[NH3+] ZINC000841094647 642802968 /nfs/dbraw/zinc/80/29/68/642802968.db2.gz ZWQPZYSUWMNOEJ-VIFPVBQESA-N 2 2 289.173 0.906 20 10 CCCDLP C[N@H+](Cc1cccc(Br)c1O)C[C@@H](O)C[NH3+] ZINC000841094647 642802970 /nfs/dbraw/zinc/80/29/70/642802970.db2.gz ZWQPZYSUWMNOEJ-VIFPVBQESA-N 2 2 289.173 0.906 20 10 CCCDLP COc1cc(C[N@@H+]2CCC[NH2+]CC2)c(O)cc1O ZINC001204675735 812360723 /nfs/dbraw/zinc/36/07/23/812360723.db2.gz VKLHUZXQJAMBAO-UHFFFAOYSA-N 2 2 252.314 0.902 20 10 CCCDLP COc1cc(C[N@H+]2CCC[NH2+]CC2)c(O)cc1O ZINC001204675735 812360734 /nfs/dbraw/zinc/36/07/34/812360734.db2.gz VKLHUZXQJAMBAO-UHFFFAOYSA-N 2 2 252.314 0.902 20 10 CCCDLP c1cc(N2CC[NH2+]CC2)ccc1C[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246175135 807176398 /nfs/dbraw/zinc/17/63/98/807176398.db2.gz STTLLCYUTXNJGG-OAHLLOKOSA-N 3 2 274.412 0.938 20 10 CCCDLP CN1CCOc2cc(C[N@@H+]3CC[C@@H]([NH3+])[C@H](O)C3)ccc21 ZINC001205958981 848062679 /nfs/dbraw/zinc/06/26/79/848062679.db2.gz JJSWVCHCNPIWMO-TZMCWYRMSA-N 2 2 277.368 0.409 20 10 CCCDLP CN1CCOc2cc(C[N@H+]3CC[C@@H]([NH3+])[C@H](O)C3)ccc21 ZINC001205958981 848062683 /nfs/dbraw/zinc/06/26/83/848062683.db2.gz JJSWVCHCNPIWMO-TZMCWYRMSA-N 2 2 277.368 0.409 20 10 CCCDLP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CNOC3)cc2F)CC1 ZINC001120269632 857024873 /nfs/dbraw/zinc/02/48/73/857024873.db2.gz WLJFXOYBGOTWPI-ZDUSSCGKSA-N 2 2 294.374 0.571 20 10 CCCDLP CN1CC[N@H+](C)C[C@H]1C[NH2+]Cc1cc(F)ccc1O ZINC000272438532 353064050 /nfs/dbraw/zinc/06/40/50/353064050.db2.gz OIWAIJGGMBFQMQ-CYBMUJFWSA-N 2 2 267.348 0.867 20 10 CCCDLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]Cc1cc(F)ccc1O ZINC000272438532 353064052 /nfs/dbraw/zinc/06/40/52/353064052.db2.gz OIWAIJGGMBFQMQ-CYBMUJFWSA-N 2 2 267.348 0.867 20 10 CCCDLP COc1ccc(O)c(CN2CC[N@H+](C)C[C@@H]2C[NH3+])c1 ZINC000226614656 636991235 /nfs/dbraw/zinc/99/12/35/636991235.db2.gz XNQYFZCNNCAPMX-LBPRGKRZSA-N 2 2 265.357 0.476 20 10 CCCDLP COc1ccc(O)c(CN2CC[N@@H+](C)C[C@@H]2C[NH3+])c1 ZINC000226614656 636991239 /nfs/dbraw/zinc/99/12/39/636991239.db2.gz XNQYFZCNNCAPMX-LBPRGKRZSA-N 2 2 265.357 0.476 20 10 CCCDLP Oc1ccc(F)c(F)c1CN1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001234991066 806337342 /nfs/dbraw/zinc/33/73/42/806337342.db2.gz PKLFTPQVVDRXSW-AWEZNQCLSA-N 2 2 283.322 0.808 20 10 CCCDLP [NH3+]C[C@@]1(O)CCCC[N@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001205688065 803156733 /nfs/dbraw/zinc/15/67/33/803156733.db2.gz DMQFNBGCQMDMDR-AWEZNQCLSA-N 2 2 282.340 0.479 20 10 CCCDLP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001205688065 803156738 /nfs/dbraw/zinc/15/67/38/803156738.db2.gz DMQFNBGCQMDMDR-AWEZNQCLSA-N 2 2 282.340 0.479 20 10 CCCDLP Oc1cc2c(cc1C[N@@H+]1CCC[NH2+]CC1)C[NH2+]CCO2 ZINC001204685181 814555159 /nfs/dbraw/zinc/55/51/59/814555159.db2.gz WKZUKJAEXSHHRY-UHFFFAOYSA-N 3 2 277.368 0.670 20 10 CCCDLP Oc1cc2c(cc1C[N@H+]1CCC[NH2+]CC1)C[NH2+]CCO2 ZINC001204685181 814555165 /nfs/dbraw/zinc/55/51/65/814555165.db2.gz WKZUKJAEXSHHRY-UHFFFAOYSA-N 3 2 277.368 0.670 20 10 CCCDLP C[NH+]1CCN(C2C[NH+](Cc3c(O)cc(O)cc3O)C2)CC1 ZINC001144515720 840075342 /nfs/dbraw/zinc/07/53/42/840075342.db2.gz FTEQYRWUTBQOQL-UHFFFAOYSA-N 2 2 293.367 0.235 20 10 CCCDLP C[C@H](C[NH3+])[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000841060261 642802291 /nfs/dbraw/zinc/80/22/91/642802291.db2.gz ILOCGVUTUVRMAK-CYBMUJFWSA-N 3 2 262.401 0.875 20 10 CCCDLP Oc1cc(F)c(F)cc1CN1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001234991090 806337972 /nfs/dbraw/zinc/33/79/72/806337972.db2.gz WBCRPUNRTZIDOR-CQSZACIVSA-N 2 2 283.322 0.808 20 10 CCCDLP COc1cc(O)c(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c(Cl)c1 ZINC001206536067 803262351 /nfs/dbraw/zinc/26/23/51/803262351.db2.gz XLKXZWRNHOVZMH-SDBXPKJASA-N 2 2 286.759 0.806 20 10 CCCDLP COc1cc(O)c(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c(Cl)c1 ZINC001206536067 803262358 /nfs/dbraw/zinc/26/23/58/803262358.db2.gz XLKXZWRNHOVZMH-SDBXPKJASA-N 2 2 286.759 0.806 20 10 CCCDLP Oc1cc2c(cc1C[NH2+][C@H]1CCC[NH2+]C1)OCO2 ZINC000841042625 814605267 /nfs/dbraw/zinc/60/52/67/814605267.db2.gz MDJDULGYOSSWJJ-JTQLQIEISA-N 2 2 250.298 0.963 20 10 CCCDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)C[NH+](C)C)c1 ZINC000756557326 581671456 /nfs/dbraw/zinc/67/14/56/581671456.db2.gz SCSPCZMINJIXGX-ZYHUDNBSSA-N 2 2 296.367 0.752 20 10 CCCDLP CCOc1cccc(CN2CC[N@H+](C)C[C@H]2C[NH3+])c1O ZINC000250518886 649772305 /nfs/dbraw/zinc/77/23/05/649772305.db2.gz QUWIGEMDWJCKMD-CYBMUJFWSA-N 2 2 279.384 0.866 20 10 CCCDLP CCOc1cccc(CN2CC[N@@H+](C)C[C@H]2C[NH3+])c1O ZINC000250518886 649772306 /nfs/dbraw/zinc/77/23/06/649772306.db2.gz QUWIGEMDWJCKMD-CYBMUJFWSA-N 2 2 279.384 0.866 20 10 CCCDLP C[C@@H]1CC[C@H]([NH2+]C[C@@H](O)c2ccc(O)c(O)c2)C[NH2+]1 ZINC001246071643 807140885 /nfs/dbraw/zinc/14/08/85/807140885.db2.gz BFWZRGXVYOUIQF-OLUVUFQESA-N 2 2 266.341 0.861 20 10 CCCDLP COc1cc(O)c(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c(Cl)c1 ZINC001206481664 803252318 /nfs/dbraw/zinc/25/23/18/803252318.db2.gz XLKXZWRNHOVZMH-ISVAXAHUSA-N 2 2 286.759 0.806 20 10 CCCDLP COc1cc(O)c(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c(Cl)c1 ZINC001206481664 803252326 /nfs/dbraw/zinc/25/23/26/803252326.db2.gz XLKXZWRNHOVZMH-ISVAXAHUSA-N 2 2 286.759 0.806 20 10 CCCDLP [NH3+][C@H]1CC[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001236171697 817134884 /nfs/dbraw/zinc/13/48/84/817134884.db2.gz VQFUVUDUBIIFAP-AWEZNQCLSA-N 3 2 260.385 0.629 20 10 CCCDLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001236171697 817134888 /nfs/dbraw/zinc/13/48/88/817134888.db2.gz VQFUVUDUBIIFAP-AWEZNQCLSA-N 3 2 260.385 0.629 20 10 CCCDLP C[NH+](C)CCN1CCC12C[NH+](Cc1ccc(O)c(O)c1)C2 ZINC001275821261 848835461 /nfs/dbraw/zinc/83/54/61/848835461.db2.gz MFBUTPCOOVGEGK-UHFFFAOYSA-N 2 2 291.395 0.920 20 10 CCCDLP COCC[N@H+](C)CC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000061377901 523605953 /nfs/dbraw/zinc/60/59/53/523605953.db2.gz UCCJNVANSCMTAI-UHFFFAOYSA-N 2 2 282.340 0.789 20 10 CCCDLP COCC[N@@H+](C)CC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000061377901 523605958 /nfs/dbraw/zinc/60/59/58/523605958.db2.gz UCCJNVANSCMTAI-UHFFFAOYSA-N 2 2 282.340 0.789 20 10 CCCDLP COc1cccc([C@H](C)[NH2+]C[C@H](O)C[NH+](C)C)c1O ZINC000846143711 617309164 /nfs/dbraw/zinc/30/91/64/617309164.db2.gz FXGLXWHXBSYLFM-QWRGUYRKSA-N 2 2 268.357 0.974 20 10 CCCDLP CN(C)c1ccc(CN2CC[N@H+](C)C[C@H]2C[NH3+])cc1 ZINC000122463041 616244944 /nfs/dbraw/zinc/24/49/44/616244944.db2.gz PIJKNCGHVLKPNZ-OAHLLOKOSA-N 2 2 262.401 0.827 20 10 CCCDLP CN(C)c1ccc(CN2CC[N@@H+](C)C[C@H]2C[NH3+])cc1 ZINC000122463041 616244945 /nfs/dbraw/zinc/24/49/45/616244945.db2.gz PIJKNCGHVLKPNZ-OAHLLOKOSA-N 2 2 262.401 0.827 20 10 CCCDLP [NH3+]Cc1cc(=O)[nH]c(C[NH2+]Cc2ccc3c(c2)CCO3)n1 ZINC000863648598 645114010 /nfs/dbraw/zinc/11/40/10/645114010.db2.gz BBFUDCJIYUSIPT-UHFFFAOYSA-N 2 2 286.335 0.866 20 10 CCCDLP Oc1c(F)cccc1C[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235055734 806358906 /nfs/dbraw/zinc/35/89/06/806358906.db2.gz WSVWJCYHLUBJDS-AWEZNQCLSA-N 2 2 265.332 0.669 20 10 CCCDLP Oc1c(F)cccc1C[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235055734 806358915 /nfs/dbraw/zinc/35/89/15/806358915.db2.gz WSVWJCYHLUBJDS-AWEZNQCLSA-N 2 2 265.332 0.669 20 10 CCCDLP O=C(N1CCc2cccc(O)c2C1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160872915 802037065 /nfs/dbraw/zinc/03/70/65/802037065.db2.gz PWHGGZJZVVFZBW-WBMJQRKESA-N 2 2 287.363 0.228 20 10 CCCDLP C[C@@H]1C[N@H+](Cc2cc3c(cc2O)OCC[NH2+]C3)C[C@H]1[NH3+] ZINC001206075874 803202077 /nfs/dbraw/zinc/20/20/77/803202077.db2.gz ZYLKQYUTJFNKBC-ZWNOBZJWSA-N 3 2 277.368 0.653 20 10 CCCDLP C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OCC[NH2+]C3)C[C@H]1[NH3+] ZINC001206075874 803202079 /nfs/dbraw/zinc/20/20/79/803202079.db2.gz ZYLKQYUTJFNKBC-ZWNOBZJWSA-N 3 2 277.368 0.653 20 10 CCCDLP COc1cc(O)c(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cc1Cl ZINC001206530595 803260923 /nfs/dbraw/zinc/26/09/23/803260923.db2.gz MJVAREYVNDEMEE-CABZTGNLSA-N 2 2 286.759 0.806 20 10 CCCDLP COc1cc(O)c(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cc1Cl ZINC001206530595 803260928 /nfs/dbraw/zinc/26/09/28/803260928.db2.gz MJVAREYVNDEMEE-CABZTGNLSA-N 2 2 286.759 0.806 20 10 CCCDLP C[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1cc(F)cc(F)c1O ZINC000817945712 641281309 /nfs/dbraw/zinc/28/13/09/641281309.db2.gz KDNOMPXQZKSJTE-VIFPVBQESA-N 2 2 299.321 0.753 20 10 CCCDLP Oc1c(F)cccc1CN1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001234982806 806326110 /nfs/dbraw/zinc/32/61/10/806326110.db2.gz QOQWPWHUMUXOSP-CQSZACIVSA-N 2 2 265.332 0.669 20 10 CCCDLP c1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1C[C@H]2C[NH2+]CC[C@H]21 ZINC001235254616 806395323 /nfs/dbraw/zinc/39/53/23/806395323.db2.gz CMFPAHRROZEQNG-NVXWUHKLSA-N 3 2 286.423 0.890 20 10 CCCDLP c1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1C[C@H]2C[NH2+]CC[C@H]21 ZINC001235254616 806395333 /nfs/dbraw/zinc/39/53/33/806395333.db2.gz CMFPAHRROZEQNG-NVXWUHKLSA-N 3 2 286.423 0.890 20 10 CCCDLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCCc3cc(O)c(O)cc3C2)C1 ZINC001160924149 802048554 /nfs/dbraw/zinc/04/85/54/802048554.db2.gz DXMAOADJLMRBAQ-NEPJUHHUSA-N 2 2 291.351 0.062 20 10 CCCDLP CC[NH+](CC)C[C@H](O)C[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001253175514 808016940 /nfs/dbraw/zinc/01/69/40/808016940.db2.gz NUCFWRZTMCXPIG-DOMZBBRYSA-N 2 2 298.383 0.424 20 10 CCCDLP [NH3+]C[C@H]1C[N@H+](Cc2c(O)ccc(F)c2F)C[C@@H]1O ZINC001206530370 843868932 /nfs/dbraw/zinc/86/89/32/843868932.db2.gz GZNRYWGOCFOQIS-CPCISQLKSA-N 2 2 258.268 0.422 20 10 CCCDLP [NH3+]C[C@H]1C[N@@H+](Cc2c(O)ccc(F)c2F)C[C@@H]1O ZINC001206530370 843868937 /nfs/dbraw/zinc/86/89/37/843868937.db2.gz GZNRYWGOCFOQIS-CPCISQLKSA-N 2 2 258.268 0.422 20 10 CCCDLP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)Cc2[nH]cc[nH+]2)cc1 ZINC000911667730 616019122 /nfs/dbraw/zinc/01/91/22/616019122.db2.gz RHFPLKYMWPWDBN-ZDUSSCGKSA-N 2 2 287.367 0.834 20 10 CCCDLP c1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1C[C@H]2C[NH2+]CC[C@@H]21 ZINC001235254624 806394382 /nfs/dbraw/zinc/39/43/82/806394382.db2.gz CMFPAHRROZEQNG-WBVHZDCISA-N 3 2 286.423 0.890 20 10 CCCDLP c1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1C[C@H]2C[NH2+]CC[C@@H]21 ZINC001235254624 806394392 /nfs/dbraw/zinc/39/43/92/806394392.db2.gz CMFPAHRROZEQNG-WBVHZDCISA-N 3 2 286.423 0.890 20 10 CCCDLP [NH3+]C[C@H]1C[N@H+](Cc2cc(F)c(F)cc2O)C[C@H]1O ZINC001206474410 803248244 /nfs/dbraw/zinc/24/82/44/803248244.db2.gz AMQZHOHSPMGTBQ-QPUJVOFHSA-N 2 2 258.268 0.422 20 10 CCCDLP [NH3+]C[C@H]1C[N@@H+](Cc2cc(F)c(F)cc2O)C[C@H]1O ZINC001206474410 803248251 /nfs/dbraw/zinc/24/82/51/803248251.db2.gz AMQZHOHSPMGTBQ-QPUJVOFHSA-N 2 2 258.268 0.422 20 10 CCCDLP CCOc1ccc(C[NH2+]C[C@@H]2C[NH2+]CCO2)c(O)c1 ZINC000841099261 615511291 /nfs/dbraw/zinc/51/12/91/615511291.db2.gz NWCOIIAOKIBRNK-ZDUSSCGKSA-N 2 2 266.341 0.869 20 10 CCCDLP CCc1cccc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)c1O ZINC000848895755 615683279 /nfs/dbraw/zinc/68/32/79/615683279.db2.gz WVQLNMFSBFJVCJ-UHFFFAOYSA-N 2 2 291.395 0.818 20 10 CCCDLP CN(C)c1ccc(CNC(=O)C[N@H+](C)CCC[NH3+])cc1 ZINC000844220590 616074288 /nfs/dbraw/zinc/07/42/88/616074288.db2.gz YLIDSEKKDFTLRX-UHFFFAOYSA-N 2 2 278.400 0.649 20 10 CCCDLP CN(C)c1ccc(CNC(=O)C[N@@H+](C)CCC[NH3+])cc1 ZINC000844220590 616074289 /nfs/dbraw/zinc/07/42/89/616074289.db2.gz YLIDSEKKDFTLRX-UHFFFAOYSA-N 2 2 278.400 0.649 20 10 CCCDLP C[N@@H+](Cc1cccc(Br)c1O)C[C@H](O)C[NH3+] ZINC000841094646 642803615 /nfs/dbraw/zinc/80/36/15/642803615.db2.gz ZWQPZYSUWMNOEJ-SECBINFHSA-N 2 2 289.173 0.906 20 10 CCCDLP C[N@H+](Cc1cccc(Br)c1O)C[C@H](O)C[NH3+] ZINC000841094646 642803618 /nfs/dbraw/zinc/80/36/18/642803618.db2.gz ZWQPZYSUWMNOEJ-SECBINFHSA-N 2 2 289.173 0.906 20 10 CCCDLP Oc1ccc(O)c(C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c1 ZINC001235060694 806360947 /nfs/dbraw/zinc/36/09/47/806360947.db2.gz IMILCPBOPWSCRJ-CQSZACIVSA-N 2 2 263.341 0.235 20 10 CCCDLP Oc1ccc(O)c(C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c1 ZINC001235060694 806360958 /nfs/dbraw/zinc/36/09/58/806360958.db2.gz IMILCPBOPWSCRJ-CQSZACIVSA-N 2 2 263.341 0.235 20 10 CCCDLP C[NH+]1CCN(c2ccc(C[NH+]3CC(O)C3)cc2)CC1 ZINC001139404661 799808987 /nfs/dbraw/zinc/80/89/87/799808987.db2.gz UKUAUVOSBQZJBX-UHFFFAOYSA-N 2 2 261.369 0.615 20 10 CCCDLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2cc(F)c(F)cc2O)C1 ZINC001205237958 803129485 /nfs/dbraw/zinc/12/94/85/803129485.db2.gz OSBPZFSHHSGDTP-ZDUSSCGKSA-N 2 2 272.295 0.827 20 10 CCCDLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2cc(F)c(F)cc2O)C1 ZINC001205237958 803129493 /nfs/dbraw/zinc/12/94/93/803129493.db2.gz OSBPZFSHHSGDTP-ZDUSSCGKSA-N 2 2 272.295 0.827 20 10 CCCDLP C[C@@H]1CC[C@@H]([NH2+]C[C@H](O)c2ccc(O)c(O)c2)C[NH2+]1 ZINC001246071646 807140845 /nfs/dbraw/zinc/14/08/45/807140845.db2.gz BFWZRGXVYOUIQF-UDZFHETQSA-N 2 2 266.341 0.861 20 10 CCCDLP c1cc(N2CC[NH2+]CC2)ccc1C[NH2+][C@H]1CCC[NH2+]C1 ZINC001246175134 807176335 /nfs/dbraw/zinc/17/63/35/807176335.db2.gz STTLLCYUTXNJGG-HNNXBMFYSA-N 3 2 274.412 0.938 20 10 CCCDLP COc1cccc(O)c1C[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000863648777 645114385 /nfs/dbraw/zinc/11/43/85/645114385.db2.gz HYGHKDVJIJTNIC-UHFFFAOYSA-N 2 2 290.323 0.645 20 10 CCCDLP Cc1ccc(C[N@H+]2CCN(CC[NH+](C)C)C(=O)C2)c(O)c1 ZINC000877610928 646828263 /nfs/dbraw/zinc/82/82/63/646828263.db2.gz MDZJHDZDCMWEIC-UHFFFAOYSA-N 2 2 291.395 0.906 20 10 CCCDLP Cc1ccc(C[N@@H+]2CCN(CC[NH+](C)C)C(=O)C2)c(O)c1 ZINC000877610928 646828264 /nfs/dbraw/zinc/82/82/64/646828264.db2.gz MDZJHDZDCMWEIC-UHFFFAOYSA-N 2 2 291.395 0.906 20 10 CCCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)C[NH+](C)C)c1 ZINC000756557315 581671228 /nfs/dbraw/zinc/67/12/28/581671228.db2.gz SCSPCZMINJIXGX-CMPLNLGQSA-N 2 2 296.367 0.752 20 10 CCCDLP C[C@@H]1C[NH2+]C[C@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000903960695 634697329 /nfs/dbraw/zinc/69/73/29/634697329.db2.gz VFVOCEQIYRRESQ-PSASIEDQSA-N 2 2 250.298 0.818 20 10 CCCDLP Oc1c(F)cccc1C[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000841085515 642801801 /nfs/dbraw/zinc/80/18/01/642801801.db2.gz FTGNUAZGVRIGNT-LLVKDONJSA-N 2 2 254.305 0.999 20 10 CCCDLP COC(=O)Cc1ccc(C[N@@H+]2C[C@@H]3C[C@]3([NH3+])C2)c(O)c1 ZINC001236023060 806529231 /nfs/dbraw/zinc/52/92/31/806529231.db2.gz NECQJTSHYJHTRZ-WFASDCNBSA-N 2 2 276.336 0.641 20 10 CCCDLP COC(=O)Cc1ccc(C[N@H+]2C[C@@H]3C[C@]3([NH3+])C2)c(O)c1 ZINC001236023060 806529234 /nfs/dbraw/zinc/52/92/34/806529234.db2.gz NECQJTSHYJHTRZ-WFASDCNBSA-N 2 2 276.336 0.641 20 10 CCCDLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCc2cccc(O)c2C1 ZINC001160872024 802036393 /nfs/dbraw/zinc/03/63/93/802036393.db2.gz GFIWYUZIQJLYHH-ZDUSSCGKSA-N 2 2 286.335 0.570 20 10 CCCDLP CC[NH+](CC)C[C@@H](O)C[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 ZINC001253175516 808016859 /nfs/dbraw/zinc/01/68/59/808016859.db2.gz NUCFWRZTMCXPIG-SWLSCSKDSA-N 2 2 298.383 0.424 20 10 CCCDLP CC[NH+](CC)C[C@@H](O)C[NH2+]Cc1cccc(O)c1O ZINC001253210989 808032569 /nfs/dbraw/zinc/03/25/69/808032569.db2.gz QTWCMZBZQRCIAV-LBPRGKRZSA-N 2 2 268.357 0.890 20 10 CCCDLP