smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cccc(O)c1C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000843123634 617305219 /nfs/dbraw/zinc/30/52/19/617305219.db2.gz TWENRAULOQHPFP-CYBMUJFWSA-N 2 1 291.395 0.880 20 10 CCCDMP [NH3+]C[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000843048746 642980957 /nfs/dbraw/zinc/98/09/57/642980957.db2.gz VUEUFLVEIIMBQW-VIFPVBQESA-N 2 1 250.298 0.902 20 10 CCCDMP Cc1cccc(O)c1C[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000877611653 646828133 /nfs/dbraw/zinc/82/81/33/646828133.db2.gz WVDUBCWXWGACMP-UHFFFAOYSA-N 2 1 291.395 0.906 20 10 CCCDMP Cc1cccc(O)c1C[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000877611653 646828137 /nfs/dbraw/zinc/82/81/37/646828137.db2.gz WVDUBCWXWGACMP-UHFFFAOYSA-N 2 1 291.395 0.906 20 10 CCCDMP COc1cccc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)c1O ZINC001234981169 806326604 /nfs/dbraw/zinc/32/66/04/806326604.db2.gz HYCBALUJPIJBBB-HNNXBMFYSA-N 2 1 277.368 0.538 20 10 CCCDMP COc1cc(C)c(C[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)c(O)c1 ZINC001235061692 806364126 /nfs/dbraw/zinc/36/41/26/806364126.db2.gz NBMQAQCCZFBBLJ-INIZCTEOSA-N 2 1 291.395 0.847 20 10 CCCDMP COc1cc(C)c(C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)c(O)c1 ZINC001235061692 806364137 /nfs/dbraw/zinc/36/41/37/806364137.db2.gz NBMQAQCCZFBBLJ-INIZCTEOSA-N 2 1 291.395 0.847 20 10 CCCDMP Cc1ccc(C)c(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c1O ZINC001206467944 803247369 /nfs/dbraw/zinc/24/73/69/803247369.db2.gz DVOWRXGBTBGOPO-WCQYABFASA-N 2 1 250.342 0.760 20 10 CCCDMP CCN(CC)c1ccc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c(O)c1 ZINC001206525489 843852061 /nfs/dbraw/zinc/85/20/61/843852061.db2.gz RJCFBYLKVLWODK-BBRMVZONSA-N 2 1 293.411 0.990 20 10 CCCDMP COc1cc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)c(O)cc1O ZINC001205688933 846473938 /nfs/dbraw/zinc/47/39/38/846473938.db2.gz MDZFVFOVXGPHFL-OAHLLOKOSA-N 2 1 296.367 0.782 20 10 CCCDMP COc1ccc(N2CC[NH+]([C@H]3C[C@H]([NH3+])C[C@@H]3O)CC2)cc1 ZINC000923317711 617267949 /nfs/dbraw/zinc/26/79/49/617267949.db2.gz FZACATXRZJFTRE-RCBQFDQVSA-N 2 1 291.395 0.668 20 10 CCCDMP COc1cccc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1O ZINC000314639422 631016114 /nfs/dbraw/zinc/01/61/14/631016114.db2.gz WFDMLLVFHBZVKH-CQSZACIVSA-N 2 1 291.395 0.880 20 10 CCCDMP Cc1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c(O)c1 ZINC000877364142 646803437 /nfs/dbraw/zinc/80/34/37/646803437.db2.gz KWIATNZGJJKWFI-AWEZNQCLSA-N 2 1 250.342 0.857 20 10 CCCDMP Cc1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c(O)c1 ZINC000877364142 646803440 /nfs/dbraw/zinc/80/34/40/646803440.db2.gz KWIATNZGJJKWFI-AWEZNQCLSA-N 2 1 250.342 0.857 20 10 CCCDMP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1cc(O)c(O)cc1O ZINC001233486317 806062695 /nfs/dbraw/zinc/06/26/95/806062695.db2.gz IKKJDYOBYOYJSW-UHFFFAOYSA-N 2 1 295.383 0.483 20 10 CCCDMP CN(C)c1ccc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c(O)c1 ZINC001206481402 803252232 /nfs/dbraw/zinc/25/22/32/803252232.db2.gz SUHRXEIMOJSNQH-SMDDNHRTSA-N 2 1 265.357 0.210 20 10 CCCDMP Cc1cc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)ccc1N(C)C ZINC001206519221 803258908 /nfs/dbraw/zinc/25/89/08/803258908.db2.gz KLEJDVOVSZLOHF-ZFWWWQNUSA-N 2 1 263.385 0.812 20 10 CCCDMP CN(C)c1ccc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c(O)c1 ZINC001206530866 803261113 /nfs/dbraw/zinc/26/11/13/803261113.db2.gz SUHRXEIMOJSNQH-FZMZJTMJSA-N 2 1 265.357 0.210 20 10 CCCDMP C[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(O)c(O)c2)CC1 ZINC001256193027 808475516 /nfs/dbraw/zinc/47/55/16/808475516.db2.gz HBIVPWHKIUCVQQ-CQSZACIVSA-N 2 1 266.341 0.815 20 10 CCCDMP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001205725667 846617258 /nfs/dbraw/zinc/61/72/58/846617258.db2.gz JQKGSJRWIPKKCE-CQSZACIVSA-N 2 1 282.340 0.479 20 10 CCCDMP COc1cc(Cl)cc(C[N@H+](C)C[C@H](O)C[NH3+])c1O ZINC000841092999 617196219 /nfs/dbraw/zinc/19/62/19/617196219.db2.gz PKPATQJAYUSTFE-SNVBAGLBSA-N 2 1 274.748 0.806 20 10 CCCDMP COc1cc(Cl)cc(C[N@@H+](C)C[C@H](O)C[NH3+])c1O ZINC000841092999 617196221 /nfs/dbraw/zinc/19/62/21/617196221.db2.gz PKPATQJAYUSTFE-SNVBAGLBSA-N 2 1 274.748 0.806 20 10 CCCDMP Oc1ccccc1C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000311887898 623811586 /nfs/dbraw/zinc/81/15/86/623811586.db2.gz VUDNAZQBIMMBBE-CQSZACIVSA-N 2 1 261.369 0.872 20 10 CCCDMP Oc1ccc(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)cc1O ZINC001222086447 804865026 /nfs/dbraw/zinc/86/50/26/804865026.db2.gz XZTKEFNIPYJHOE-UHFFFAOYSA-N 2 1 277.368 0.625 20 10 CCCDMP COc1cc(O)c(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cc1OC ZINC001206535597 843896406 /nfs/dbraw/zinc/89/64/06/843896406.db2.gz NFRCNMCIUGDNQQ-JQWIXIFHSA-N 2 1 282.340 0.161 20 10 CCCDMP COc1cc(O)c(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cc1OC ZINC001206535597 843896414 /nfs/dbraw/zinc/89/64/14/843896414.db2.gz NFRCNMCIUGDNQQ-JQWIXIFHSA-N 2 1 282.340 0.161 20 10 CCCDMP COc1ccc(O)c(C[NH+]2CCC([NH2+]CCO)CC2)c1 ZINC000686281450 849067393 /nfs/dbraw/zinc/06/73/93/849067393.db2.gz GRRAIBNDEZDPQD-UHFFFAOYSA-N 2 1 280.368 0.947 20 10 CCCDMP CCOc1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c(O)c1 ZINC000762556382 581951125 /nfs/dbraw/zinc/95/11/25/581951125.db2.gz PXWYIIGMSFCTJM-HNNXBMFYSA-N 2 1 280.368 0.947 20 10 CCCDMP CCOc1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c(O)c1 ZINC000762556382 581951128 /nfs/dbraw/zinc/95/11/28/581951128.db2.gz PXWYIIGMSFCTJM-HNNXBMFYSA-N 2 1 280.368 0.947 20 10 CCCDMP Cc1c(O)ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c1O ZINC001205959185 803191945 /nfs/dbraw/zinc/19/19/45/803191945.db2.gz KTQVZGXQBUVTEO-ZYHUDNBSSA-N 2 1 252.314 0.300 20 10 CCCDMP Cc1c(O)ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c1O ZINC001205959185 803191946 /nfs/dbraw/zinc/19/19/46/803191946.db2.gz KTQVZGXQBUVTEO-ZYHUDNBSSA-N 2 1 252.314 0.300 20 10 CCCDMP COc1cc(Cl)cc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c1O ZINC001206481626 803251800 /nfs/dbraw/zinc/25/18/00/803251800.db2.gz VKONLIFAIJFRJU-GXSJLCMTSA-N 2 1 286.759 0.806 20 10 CCCDMP COc1cc(Cl)cc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c1O ZINC001206481626 803251805 /nfs/dbraw/zinc/25/18/05/803251805.db2.gz VKONLIFAIJFRJU-GXSJLCMTSA-N 2 1 286.759 0.806 20 10 CCCDMP COc1cccc(C[N@@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)c1O ZINC001222491573 804904530 /nfs/dbraw/zinc/90/45/30/804904530.db2.gz FCIQTZSMWUPVGP-KBPBESRZSA-N 2 1 291.395 0.927 20 10 CCCDMP COc1cccc(C[N@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)c1O ZINC001222491573 804904536 /nfs/dbraw/zinc/90/45/36/804904536.db2.gz FCIQTZSMWUPVGP-KBPBESRZSA-N 2 1 291.395 0.927 20 10 CCCDMP Cc1c(O)ccc(C[N@@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)c1O ZINC001222502874 804907891 /nfs/dbraw/zinc/90/78/91/804907891.db2.gz VTKRGHDHDOHGJT-KBPBESRZSA-N 2 1 291.395 0.932 20 10 CCCDMP Cc1c(O)ccc(C[N@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)c1O ZINC001222502874 804907896 /nfs/dbraw/zinc/90/78/96/804907896.db2.gz VTKRGHDHDOHGJT-KBPBESRZSA-N 2 1 291.395 0.932 20 10 CCCDMP Cc1cccc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c1O ZINC000702571660 819146236 /nfs/dbraw/zinc/14/62/36/819146236.db2.gz BJOKRJXIQLTCDU-AWEZNQCLSA-N 2 1 250.342 0.857 20 10 CCCDMP Cc1cccc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c1O ZINC000702571660 819146239 /nfs/dbraw/zinc/14/62/39/819146239.db2.gz BJOKRJXIQLTCDU-AWEZNQCLSA-N 2 1 250.342 0.857 20 10 CCCDMP COc1cccc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)c1O ZINC000702641499 819158995 /nfs/dbraw/zinc/15/89/95/819158995.db2.gz NPQNZCWIORPGSC-CQSZACIVSA-N 2 1 266.341 0.557 20 10 CCCDMP COc1cccc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c1O ZINC000702641499 819159005 /nfs/dbraw/zinc/15/90/05/819159005.db2.gz NPQNZCWIORPGSC-CQSZACIVSA-N 2 1 266.341 0.557 20 10 CCCDMP COc1cccc(C[N@@H+](C)CCN2CC[NH2+]CC2)c1O ZINC000071148553 638542241 /nfs/dbraw/zinc/54/22/41/638542241.db2.gz PRNNWKLVIQLWIK-UHFFFAOYSA-N 2 1 279.384 0.738 20 10 CCCDMP Cc1ccc(O)c(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000071409514 638573697 /nfs/dbraw/zinc/57/36/97/638573697.db2.gz IMBFCXWIISHSBX-ZDUSSCGKSA-N 2 1 291.395 0.988 20 10 CCCDMP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2O)C1 ZINC000843048255 642981354 /nfs/dbraw/zinc/98/13/54/642981354.db2.gz UXCZMOVLKDWPFM-GFCCVEGCSA-N 2 1 295.358 0.818 20 10 CCCDMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000843048255 642981360 /nfs/dbraw/zinc/98/13/60/642981360.db2.gz UXCZMOVLKDWPFM-GFCCVEGCSA-N 2 1 295.358 0.818 20 10 CCCDMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2c(O)cc(O)cc2O)CC1 ZINC001205228986 803127745 /nfs/dbraw/zinc/12/77/45/803127745.db2.gz LKBUYMDODPEYLV-AWEZNQCLSA-N 2 1 282.340 0.479 20 10 CCCDMP Cc1cccc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c1O ZINC000702571664 819146721 /nfs/dbraw/zinc/14/67/21/819146721.db2.gz BJOKRJXIQLTCDU-CQSZACIVSA-N 2 1 250.342 0.857 20 10 CCCDMP Cc1cccc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)c1O ZINC000702571664 819146728 /nfs/dbraw/zinc/14/67/28/819146728.db2.gz BJOKRJXIQLTCDU-CQSZACIVSA-N 2 1 250.342 0.857 20 10 CCCDMP COc1ccc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)c(O)c1OC ZINC000893605173 617258702 /nfs/dbraw/zinc/25/87/02/617258702.db2.gz DLYRLILNQBMPSG-OAHLLOKOSA-N 2 1 296.367 0.566 20 10 CCCDMP COc1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c(O)c1OC ZINC000893605173 617258703 /nfs/dbraw/zinc/25/87/03/617258703.db2.gz DLYRLILNQBMPSG-OAHLLOKOSA-N 2 1 296.367 0.566 20 10 CCCDMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1cc2c(cc1O)OCO2 ZINC000843052449 616088516 /nfs/dbraw/zinc/08/85/16/616088516.db2.gz LGBSBFHOXBQGGX-UHFFFAOYSA-N 2 1 293.367 0.458 20 10 CCCDMP Oc1ccccc1C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000311887895 623811466 /nfs/dbraw/zinc/81/14/66/623811466.db2.gz VUDNAZQBIMMBBE-AWEZNQCLSA-N 2 1 261.369 0.872 20 10 CCCDMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000063178489 637205488 /nfs/dbraw/zinc/20/54/88/637205488.db2.gz VMGHVVCNWUASBA-ZDUSSCGKSA-N 2 1 277.368 0.679 20 10 CCCDMP COc1ccc(O)c(C[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)c1 ZINC001235054273 806356933 /nfs/dbraw/zinc/35/69/33/806356933.db2.gz VOGYKMZMBCLPBD-HNNXBMFYSA-N 2 1 277.368 0.538 20 10 CCCDMP COc1ccc(O)c(C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)c1 ZINC001235054273 806356943 /nfs/dbraw/zinc/35/69/43/806356943.db2.gz VOGYKMZMBCLPBD-HNNXBMFYSA-N 2 1 277.368 0.538 20 10 CCCDMP Cc1cccc(O)c1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235874970 806512102 /nfs/dbraw/zinc/51/21/02/806512102.db2.gz YOKZUHQVMCBZNA-UHFFFAOYSA-N 2 1 292.427 0.285 20 10 CCCDMP C[N@H+](Cc1ccc(N2CC[NH2+]CC2)cc1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236415428 806589028 /nfs/dbraw/zinc/58/90/28/806589028.db2.gz UHUWZLRVNIHNLZ-FVQHAEBGSA-N 3 1 286.423 0.746 20 10 CCCDMP C[N@@H+](Cc1ccc(N2CC[NH2+]CC2)cc1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236415428 806589037 /nfs/dbraw/zinc/58/90/37/806589037.db2.gz UHUWZLRVNIHNLZ-FVQHAEBGSA-N 3 1 286.423 0.746 20 10 CCCDMP COc1cc(C[NH+]2CC(C(N)=O)C2)cc(C[NH+](C)C)c1O ZINC001139257813 799799758 /nfs/dbraw/zinc/79/97/58/799799758.db2.gz GZGHHQICZBDKMZ-UHFFFAOYSA-N 2 1 293.367 0.380 20 10 CCCDMP C[C@@H]1C[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)CCN1 ZINC001206388335 803237908 /nfs/dbraw/zinc/23/79/08/803237908.db2.gz IIHOGGZKBWSDEQ-CYBMUJFWSA-N 2 1 290.411 0.596 20 10 CCCDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)CCN1 ZINC001206388335 803237915 /nfs/dbraw/zinc/23/79/15/803237915.db2.gz IIHOGGZKBWSDEQ-CYBMUJFWSA-N 2 1 290.411 0.596 20 10 CCCDMP C[NH2+]CCNCc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001325612050 913493037 /nfs/dbraw/zinc/49/30/37/913493037.db2.gz XMKRMZGASSNIMI-UHFFFAOYSA-N 2 1 280.391 0.887 20 10 CCCDMP COc1cccc(O)c1C[N@@H+](C)CCOCC[NH3+] ZINC000863649154 617304839 /nfs/dbraw/zinc/30/48/39/617304839.db2.gz AEANSMRUSGNBJA-UHFFFAOYSA-N 2 1 254.330 0.808 20 10 CCCDMP CCOc1ccc(O)c(C[N@@H+](C)C[C@@H](O)C[NH3+])c1 ZINC000841091770 615511973 /nfs/dbraw/zinc/51/19/73/615511973.db2.gz FVIUBPMLTMRCSP-NSHDSACASA-N 2 1 254.330 0.542 20 10 CCCDMP C[N@@H+](CCOCC[NH3+])Cc1ccc(N2CCOCC2)cc1 ZINC000844221426 616115922 /nfs/dbraw/zinc/11/59/22/616115922.db2.gz ZRXKCVXIOXOEPP-UHFFFAOYSA-N 2 1 293.411 0.930 20 10 CCCDMP COc1cc(C)c(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c(O)c1 ZINC001205973193 803194245 /nfs/dbraw/zinc/19/42/45/803194245.db2.gz KQGYCCSHGSXVFQ-TZMCWYRMSA-N 2 1 266.341 0.603 20 10 CCCDMP COc1cc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)cc(O)c1O ZINC001205210096 897398003 /nfs/dbraw/zinc/39/80/03/897398003.db2.gz MODJWOYAXNJAMP-HNNXBMFYSA-N 2 1 296.367 0.782 20 10 CCCDMP C[N@@H+](CCO)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775639295 582032408 /nfs/dbraw/zinc/03/24/08/582032408.db2.gz SJOCEYXRSKWDCK-UHFFFAOYSA-N 2 1 263.385 0.863 20 10 CCCDMP COc1ccc(O)c(C[NH2+]C[C@@H]2C[NH2+]CCCO2)c1 ZINC000841086415 617273222 /nfs/dbraw/zinc/27/32/22/617273222.db2.gz NLUGJMUEWKCNMI-ZDUSSCGKSA-N 2 1 266.341 0.869 20 10 CCCDMP COc1cc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)cc(O)c1O ZINC001234983448 806327485 /nfs/dbraw/zinc/32/74/85/806327485.db2.gz VVXNZBQBFGDPBV-HNNXBMFYSA-N 2 1 293.367 0.244 20 10 CCCDMP CCc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c(O)c1 ZINC001205973456 803194523 /nfs/dbraw/zinc/19/45/23/803194523.db2.gz UBXPLWIJCAUFPG-TZMCWYRMSA-N 2 1 250.342 0.849 20 10 CCCDMP C[N@@H+](Cc1ccccc1O)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246862593 807412406 /nfs/dbraw/zinc/41/24/06/807412406.db2.gz LOOZLRFOUAZGRJ-CYBMUJFWSA-N 2 1 261.369 0.918 20 10 CCCDMP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H]2CSC[NH2+]2)cc1 ZINC000841846211 616018986 /nfs/dbraw/zinc/01/89/86/616018986.db2.gz KYSPTIWRMUKPIX-STQMWFEESA-N 2 1 294.424 0.531 20 10 CCCDMP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2CSC[NH2+]2)cc1 ZINC000841846209 616019685 /nfs/dbraw/zinc/01/96/85/616019685.db2.gz KYSPTIWRMUKPIX-OLZOCXBDSA-N 2 1 294.424 0.531 20 10 CCCDMP C[N@@H+](CCO)Cc1cc2c(cc1O)OCC[NH2+]C2 ZINC001236255463 806557691 /nfs/dbraw/zinc/55/76/91/806557691.db2.gz FMMJQIKZKGLMLC-UHFFFAOYSA-N 2 1 252.314 0.298 20 10 CCCDMP C[C@H]([NH3+])C[N@H+](C)Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001236904458 806618729 /nfs/dbraw/zinc/61/87/29/806618729.db2.gz OEMYTVQWVIRLNW-LBPRGKRZSA-N 3 1 278.400 0.581 20 10 CCCDMP C[C@H]([NH3+])C[N@@H+](C)Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001236904458 806618731 /nfs/dbraw/zinc/61/87/31/806618731.db2.gz OEMYTVQWVIRLNW-LBPRGKRZSA-N 3 1 278.400 0.581 20 10 CCCDMP [NH3+][C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@H]1O ZINC001205953375 803190984 /nfs/dbraw/zinc/19/09/84/803190984.db2.gz WGLCKSHLZOXBEU-HZPDHXFCSA-N 2 1 291.395 0.417 20 10 CCCDMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C[C@H]1O ZINC001205953375 803190988 /nfs/dbraw/zinc/19/09/88/803190988.db2.gz WGLCKSHLZOXBEU-HZPDHXFCSA-N 2 1 291.395 0.417 20 10 CCCDMP Cc1cc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)ccc1N(C)C ZINC001206468547 803249079 /nfs/dbraw/zinc/24/90/79/803249079.db2.gz KLEJDVOVSZLOHF-DZGCQCFKSA-N 2 1 263.385 0.812 20 10 CCCDMP Nc1ccc(C[N@@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)cc1 ZINC001222506724 804910180 /nfs/dbraw/zinc/91/01/80/804910180.db2.gz CEPDNNWZYVFDTK-GJZGRUSLSA-N 2 1 260.385 0.795 20 10 CCCDMP Nc1ccc(C[N@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)cc1 ZINC001222506724 804910184 /nfs/dbraw/zinc/91/01/84/804910184.db2.gz CEPDNNWZYVFDTK-GJZGRUSLSA-N 2 1 260.385 0.795 20 10 CCCDMP Oc1ccc(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)c(O)c1 ZINC001222085958 811856956 /nfs/dbraw/zinc/85/69/56/811856956.db2.gz QMYFGBMXBNBCSY-UHFFFAOYSA-N 2 1 277.368 0.625 20 10 CCCDMP COc1cccc(C[NH+]2CCC([NH2+]CCO)CC2)c1O ZINC000686281987 849067654 /nfs/dbraw/zinc/06/76/54/849067654.db2.gz LPKOOSLMXIMALJ-UHFFFAOYSA-N 2 1 280.368 0.947 20 10 CCCDMP CN(C)c1ccc(C[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)cc1 ZINC000863649450 616015835 /nfs/dbraw/zinc/01/58/35/616015835.db2.gz ZMQXUZRGCVPWHM-UHFFFAOYSA-N 2 1 287.367 0.997 20 10 CCCDMP CCOc1cccc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)c1O ZINC001234983095 806329022 /nfs/dbraw/zinc/32/90/22/806329022.db2.gz SSAJGYMXPRDEKC-INIZCTEOSA-N 2 1 291.395 0.928 20 10 CCCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@@H](O)[C@@H](F)C3)cc2)CC1 ZINC001139407917 799808934 /nfs/dbraw/zinc/80/89/34/799808934.db2.gz GFDLJNHMKWZUMP-JKSUJKDBSA-N 2 1 293.386 0.953 20 10 CCCDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H](O)[C@@H](F)C3)cc2)CC1 ZINC001139407917 799808939 /nfs/dbraw/zinc/80/89/39/799808939.db2.gz GFDLJNHMKWZUMP-JKSUJKDBSA-N 2 1 293.386 0.953 20 10 CCCDMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2cc(O)ccc2O)CC1 ZINC001205228651 803127964 /nfs/dbraw/zinc/12/79/64/803127964.db2.gz GYSIYUYDQPTQCE-AWEZNQCLSA-N 2 1 266.341 0.774 20 10 CCCDMP COc1ccc(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)c(O)c1 ZINC001222085813 804864550 /nfs/dbraw/zinc/86/45/50/804864550.db2.gz LUTKYEXPUJGXTB-UHFFFAOYSA-N 2 1 291.395 0.928 20 10 CCCDMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1ccc(N)cc1)C2 ZINC001345160730 923814871 /nfs/dbraw/zinc/81/48/71/923814871.db2.gz YCIFVOJZIGSCRF-BJJXKVORSA-N 2 1 289.379 0.981 20 10 CCCDMP CN(C)c1ccc(C[N@H+](C)C[C@H](O)C[NH3+])cc1F ZINC000841093992 616166736 /nfs/dbraw/zinc/16/67/36/616166736.db2.gz WECMUSYPUGUGIF-LLVKDONJSA-N 2 1 255.337 0.643 20 10 CCCDMP CN(C)c1ccc(C[N@@H+](C)C[C@H](O)C[NH3+])cc1F ZINC000841093992 616166737 /nfs/dbraw/zinc/16/67/37/616166737.db2.gz WECMUSYPUGUGIF-LLVKDONJSA-N 2 1 255.337 0.643 20 10 CCCDMP Cc1cccc(O)c1CN1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001234993033 806341010 /nfs/dbraw/zinc/34/10/10/806341010.db2.gz UJQXUAMOYNOADJ-HNNXBMFYSA-N 2 1 261.369 0.838 20 10 CCCDMP [NH3+]CCN(CC[NH3+])Cc1cc(Cl)cc(F)c1O ZINC001235880465 806513962 /nfs/dbraw/zinc/51/39/62/806513962.db2.gz MWQJYYWLKSEOSJ-UHFFFAOYSA-N 2 1 261.728 0.904 20 10 CCCDMP N[C@@H]1C[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)CC[C@H]1F ZINC001235910273 806514744 /nfs/dbraw/zinc/51/47/44/806514744.db2.gz CBRSVMUUOHYPEW-HZPDHXFCSA-N 2 1 292.402 0.967 20 10 CCCDMP N[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)CC[C@H]1F ZINC001235910273 806514746 /nfs/dbraw/zinc/51/47/46/806514746.db2.gz CBRSVMUUOHYPEW-HZPDHXFCSA-N 2 1 292.402 0.967 20 10 CCCDMP CC[NH+](CC)C[C@H](O)C[NH2+]CCc1cc(O)c(O)cc1O ZINC001253205516 808030229 /nfs/dbraw/zinc/03/02/29/808030229.db2.gz DGROSFUURSOGPE-GFCCVEGCSA-N 2 1 298.383 0.638 20 10 CCCDMP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000702574975 819146852 /nfs/dbraw/zinc/14/68/52/819146852.db2.gz UKBVPZBCEWAKKD-CQSZACIVSA-N 2 1 280.324 0.277 20 10 CCCDMP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000702574975 819146857 /nfs/dbraw/zinc/14/68/57/819146857.db2.gz UKBVPZBCEWAKKD-CQSZACIVSA-N 2 1 280.324 0.277 20 10 CCCDMP COc1ccc(O)c(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)c1 ZINC000038031121 174025057 /nfs/dbraw/zinc/02/50/57/174025057.db2.gz WRFMJWQNCDGLTB-UHFFFAOYSA-N 2 1 293.367 0.264 20 10 CCCDMP COc1ccc(O)c(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)c1 ZINC000038031121 174025058 /nfs/dbraw/zinc/02/50/58/174025058.db2.gz WRFMJWQNCDGLTB-UHFFFAOYSA-N 2 1 293.367 0.264 20 10 CCCDMP COc1cccc(O)c1C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000841100905 617305345 /nfs/dbraw/zinc/30/53/45/617305345.db2.gz NNSJCHPTAXMYNK-NSHDSACASA-N 2 1 266.341 0.950 20 10 CCCDMP COc1cccc(O)c1C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000841100905 617305347 /nfs/dbraw/zinc/30/53/47/617305347.db2.gz NNSJCHPTAXMYNK-NSHDSACASA-N 2 1 266.341 0.950 20 10 CCCDMP CCOc1ccc(C[N@@H+](C)C[C@H](O)C[NH3+])c(O)c1 ZINC000841091625 615510239 /nfs/dbraw/zinc/51/02/39/615510239.db2.gz CFFKXIRNOBQHOD-LLVKDONJSA-N 2 1 254.330 0.542 20 10 CCCDMP C[C@H]1C[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)CCN1 ZINC001206388336 803238204 /nfs/dbraw/zinc/23/82/04/803238204.db2.gz IIHOGGZKBWSDEQ-ZDUSSCGKSA-N 2 1 290.411 0.596 20 10 CCCDMP C[C@H]1C[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)CCN1 ZINC001206388336 803238209 /nfs/dbraw/zinc/23/82/09/803238209.db2.gz IIHOGGZKBWSDEQ-ZDUSSCGKSA-N 2 1 290.411 0.596 20 10 CCCDMP COc1cc(C)c(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c(O)c1 ZINC001206480545 803249645 /nfs/dbraw/zinc/24/96/45/803249645.db2.gz BHBQDVXTFVAOPC-IINYFYTJSA-N 2 1 266.341 0.461 20 10 CCCDMP Cc1ccc(O)c(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC000705443236 819508684 /nfs/dbraw/zinc/50/86/84/819508684.db2.gz JSORYMPQELKSFV-AWEZNQCLSA-N 2 1 250.342 0.857 20 10 CCCDMP Cc1ccc(O)c(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c1 ZINC000705443236 819508687 /nfs/dbraw/zinc/50/86/87/819508687.db2.gz JSORYMPQELKSFV-AWEZNQCLSA-N 2 1 250.342 0.857 20 10 CCCDMP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccccc1O ZINC000038031052 849299612 /nfs/dbraw/zinc/29/96/12/849299612.db2.gz FGSAVVSSWBXYNR-UHFFFAOYSA-N 2 1 263.341 0.256 20 10 CCCDMP CN(Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C1C[NH2+]C1 ZINC001118180519 856189059 /nfs/dbraw/zinc/18/90/59/856189059.db2.gz JOBCYGACJMHNHX-UHFFFAOYSA-N 2 1 292.402 0.981 20 10 CCCDMP CCOc1ccc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)c(O)c1 ZINC000762556384 581950859 /nfs/dbraw/zinc/95/08/59/581950859.db2.gz PXWYIIGMSFCTJM-OAHLLOKOSA-N 2 1 280.368 0.947 20 10 CCCDMP CCOc1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c(O)c1 ZINC000762556384 581950861 /nfs/dbraw/zinc/95/08/61/581950861.db2.gz PXWYIIGMSFCTJM-OAHLLOKOSA-N 2 1 280.368 0.947 20 10 CCCDMP Cc1ccc(O)c(CN2CC[NH2+]C[C@]23CC[NH2+]C3)c1 ZINC001234985746 806329044 /nfs/dbraw/zinc/32/90/44/806329044.db2.gz FEEJQBMPNFRMRH-OAHLLOKOSA-N 2 1 261.369 0.838 20 10 CCCDMP Cc1c(O)ccc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)c1O ZINC001234992300 806336864 /nfs/dbraw/zinc/33/68/64/806336864.db2.gz YIKZNQBYVUVPGA-HNNXBMFYSA-N 2 1 277.368 0.544 20 10 CCCDMP CC[C@H]([NH3+])C[N@H+](C)Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001236883982 806617802 /nfs/dbraw/zinc/61/78/02/806617802.db2.gz JSVJMGCOCUWSJC-AWEZNQCLSA-N 3 1 292.427 0.971 20 10 CCCDMP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001236883982 806617806 /nfs/dbraw/zinc/61/78/06/806617806.db2.gz JSVJMGCOCUWSJC-AWEZNQCLSA-N 3 1 292.427 0.971 20 10 CCCDMP Oc1cc(O)c(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)c(O)c1 ZINC001222094394 804868631 /nfs/dbraw/zinc/86/86/31/804868631.db2.gz FGGCEYAOWSRRAV-UHFFFAOYSA-N 2 1 293.367 0.331 20 10 CCCDMP CC[NH+](CC)C[C@@H](O)C[NH2+]Cc1ccc(O)cc1O ZINC001253207784 808030892 /nfs/dbraw/zinc/03/08/92/808030892.db2.gz JNCASBYWCFUHPJ-ZDUSSCGKSA-N 2 1 268.357 0.890 20 10 CCCDMP CCOc1cccc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c1O ZINC000702574907 819146646 /nfs/dbraw/zinc/14/66/46/819146646.db2.gz UHNKUKZZSDIUMS-HNNXBMFYSA-N 2 1 280.368 0.947 20 10 CCCDMP CCOc1cccc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c1O ZINC000702574907 819146661 /nfs/dbraw/zinc/14/66/61/819146661.db2.gz UHNKUKZZSDIUMS-HNNXBMFYSA-N 2 1 280.368 0.947 20 10 CCCDMP CN1CCOc2cc(C[N@@H+]3C[C@H](O)[C@@H](C[NH3+])C3)ccc21 ZINC001206525355 843852172 /nfs/dbraw/zinc/85/21/72/843852172.db2.gz NNBOMMPNTNFKQO-JSGCOSHPSA-N 2 1 277.368 0.267 20 10 CCCDMP CN1CCOc2cc(C[N@H+]3C[C@H](O)[C@@H](C[NH3+])C3)ccc21 ZINC001206525355 843852181 /nfs/dbraw/zinc/85/21/81/843852181.db2.gz NNBOMMPNTNFKQO-JSGCOSHPSA-N 2 1 277.368 0.267 20 10 CCCDMP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2ccc(O)cc2O)C1 ZINC001205666069 846302387 /nfs/dbraw/zinc/30/23/87/846302387.db2.gz ZJRWDYCVAOVVLB-AWEZNQCLSA-N 2 1 266.341 0.774 20 10 CCCDMP C[C@@H]1CC[N@H+](Cc2c(O)cc(O)cc2O)C[C@@H]1[NH3+] ZINC001205872007 847426621 /nfs/dbraw/zinc/42/66/21/847426621.db2.gz CEUBSESUAKMTEJ-KCJUWKMLSA-N 2 1 252.314 0.973 20 10 CCCDMP C[C@@H]1CC[N@@H+](Cc2c(O)cc(O)cc2O)C[C@@H]1[NH3+] ZINC001205872007 847426626 /nfs/dbraw/zinc/42/66/26/847426626.db2.gz CEUBSESUAKMTEJ-KCJUWKMLSA-N 2 1 252.314 0.973 20 10 CCCDMP COc1ccc(O)c(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000385193707 853886208 /nfs/dbraw/zinc/88/62/08/853886208.db2.gz NVHZDUWNEJRPLD-CQSZACIVSA-N 2 1 291.395 0.880 20 10 CCCDMP CN(CC[NH3+])Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001345103444 923793021 /nfs/dbraw/zinc/79/30/21/923793021.db2.gz FIFRCTWQWCGLBY-UHFFFAOYSA-N 2 1 280.391 0.968 20 10 CCCDMP Oc1cc2c(cc1C[NH2+]C[C@@H]1C[NH2+]CCCO1)OCO2 ZINC000841087666 642802882 /nfs/dbraw/zinc/80/28/82/642802882.db2.gz UZIOJVGCOYSNLY-NSHDSACASA-N 2 1 280.324 0.589 20 10 CCCDMP Cc1cccc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)c1O ZINC000843045658 642981635 /nfs/dbraw/zinc/98/16/35/642981635.db2.gz ZWNFLLFCKYDTQG-UHFFFAOYSA-N 2 1 277.368 0.564 20 10 CCCDMP CN(C)c1ccc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)cc1 ZINC001234982240 806326919 /nfs/dbraw/zinc/32/69/19/806326919.db2.gz NTKGCURQVNNGTQ-MRXNPFEDSA-N 2 1 274.412 0.890 20 10 CCCDMP Cc1cccc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)c1O ZINC001234986184 806330402 /nfs/dbraw/zinc/33/04/02/806330402.db2.gz BUHRGHVEZLFBIQ-HNNXBMFYSA-N 2 1 261.369 0.838 20 10 CCCDMP Oc1ccc(O)c(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)c1 ZINC001234991194 806337507 /nfs/dbraw/zinc/33/75/07/806337507.db2.gz WGJNFEMVZBPUPK-AWEZNQCLSA-N 2 1 263.341 0.235 20 10 CCCDMP Cc1ccc(C)c(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c1O ZINC001206518684 803257261 /nfs/dbraw/zinc/25/72/61/803257261.db2.gz DVOWRXGBTBGOPO-AAEUAGOBSA-N 2 1 250.342 0.760 20 10 CCCDMP C[N@@H+](CCC(N)=O)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809713214 616247238 /nfs/dbraw/zinc/24/72/38/616247238.db2.gz DGTQLYFKZJPVJZ-UHFFFAOYSA-N 2 1 290.411 0.746 20 10 CCCDMP [NH3+]C[C@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)CCCO1 ZINC000841101242 642803183 /nfs/dbraw/zinc/80/31/83/642803183.db2.gz SYTRPAWKPYZCON-NSHDSACASA-N 2 1 280.324 0.671 20 10 CCCDMP [NH3+]C[C@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)CCCO1 ZINC000841101242 642803188 /nfs/dbraw/zinc/80/31/88/642803188.db2.gz SYTRPAWKPYZCON-NSHDSACASA-N 2 1 280.324 0.671 20 10 CCCDMP COc1cc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)c(O)cc1O ZINC001234986117 806329950 /nfs/dbraw/zinc/32/99/50/806329950.db2.gz AKWREIADSHCTQC-OAHLLOKOSA-N 2 1 293.367 0.244 20 10 CCCDMP CN(C)c1ccc(C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c(O)c1 ZINC001235064878 806367823 /nfs/dbraw/zinc/36/78/23/806367823.db2.gz YQBMENCXDPRJDL-MRXNPFEDSA-N 2 1 290.411 0.596 20 10 CCCDMP CN(C)c1ccc(C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c(O)c1 ZINC001235064878 806367831 /nfs/dbraw/zinc/36/78/31/806367831.db2.gz YQBMENCXDPRJDL-MRXNPFEDSA-N 2 1 290.411 0.596 20 10 CCCDMP C[N@@H+](CCO)Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001236255404 806559085 /nfs/dbraw/zinc/55/90/85/806559085.db2.gz BWZMWDXIQCHTPR-UHFFFAOYSA-N 2 1 265.357 0.226 20 10 CCCDMP COc1ccc(N(C)CC[N@@H+](C)[C@H]2C[C@H]([NH3+])C[C@@H]2O)cc1 ZINC000923388662 617267133 /nfs/dbraw/zinc/26/71/33/617267133.db2.gz SXPSVSMOHKWBBF-RCBQFDQVSA-N 2 1 293.411 0.914 20 10 CCCDMP Nc1ccc(-n2cc(CC[NH+]3CCC([NH3+])CC3)nn2)cc1 ZINC000864619206 645251208 /nfs/dbraw/zinc/25/12/08/645251208.db2.gz BEOVSHOKNLPUDS-UHFFFAOYSA-N 2 1 286.383 0.815 20 10 CCCDMP CCOc1ccc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)c(O)c1 ZINC001234987150 806329865 /nfs/dbraw/zinc/32/98/65/806329865.db2.gz DLIHYIHALYXPPJ-MRXNPFEDSA-N 2 1 291.395 0.928 20 10 CCCDMP Cc1cccc(O)c1C[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235065788 806367336 /nfs/dbraw/zinc/36/73/36/806367336.db2.gz YYLCQSJPNFXSEQ-OAHLLOKOSA-N 2 1 261.369 0.838 20 10 CCCDMP COC(=O)Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c(O)c1 ZINC001205981830 803195033 /nfs/dbraw/zinc/19/50/33/803195033.db2.gz HSCATXDBYNGDFG-TZMCWYRMSA-N 2 1 294.351 0.002 20 10 CCCDMP C[N@@H+]1C[C@@H]2C[NH+](Cc3c(O)cc(O)cc3O)C[C@@H]2C1 ZINC001144514811 840075368 /nfs/dbraw/zinc/07/53/68/840075368.db2.gz SQNGSDZRGAFLNT-AOOOYVTPSA-N 2 1 264.325 0.797 20 10 CCCDMP C[NH+]1C[C@@H]2C[N@@H+](Cc3c(O)cc(O)cc3O)C[C@@H]2C1 ZINC001144514811 840075379 /nfs/dbraw/zinc/07/53/79/840075379.db2.gz SQNGSDZRGAFLNT-AOOOYVTPSA-N 2 1 264.325 0.797 20 10 CCCDMP Oc1cc2c(cc1C[NH+]1C[C@H]3C[NH2+]C[C@@H]3C1)OCO2 ZINC000770395120 581741783 /nfs/dbraw/zinc/74/17/83/581741783.db2.gz PSYSKDOLJJEFPZ-GHMZBOCLSA-N 2 1 262.309 0.772 20 10 CCCDMP Oc1ccc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)cc1O ZINC001234981236 806325662 /nfs/dbraw/zinc/32/56/62/806325662.db2.gz JBFHAQBGYXJVON-AWEZNQCLSA-N 2 1 263.341 0.235 20 10 CCCDMP Cc1ccc(O)c(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)c1 ZINC001234985742 806329331 /nfs/dbraw/zinc/32/93/31/806329331.db2.gz FEEJQBMPNFRMRH-HNNXBMFYSA-N 2 1 261.369 0.838 20 10 CCCDMP Oc1ccc(O)c(CN2CC[NH2+]C[C@]23CC[NH2+]C3)c1 ZINC001234991197 806338665 /nfs/dbraw/zinc/33/86/65/806338665.db2.gz WGJNFEMVZBPUPK-CQSZACIVSA-N 2 1 263.341 0.235 20 10 CCCDMP COc1cc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)c(O)cc1O ZINC001205688929 846473411 /nfs/dbraw/zinc/47/34/11/846473411.db2.gz MDZFVFOVXGPHFL-HNNXBMFYSA-N 2 1 296.367 0.782 20 10 CCCDMP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001205725662 846617731 /nfs/dbraw/zinc/61/77/31/846617731.db2.gz JQKGSJRWIPKKCE-AWEZNQCLSA-N 2 1 282.340 0.479 20 10 CCCDMP Cc1cc(C)c(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c(O)c1 ZINC001205966743 848147751 /nfs/dbraw/zinc/14/77/51/848147751.db2.gz AZPDGJVKEGCQBT-TZMCWYRMSA-N 2 1 250.342 0.903 20 10 CCCDMP CC[N@@H+](CC(N)=O)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000789596038 581152236 /nfs/dbraw/zinc/15/22/36/581152236.db2.gz IUICGAXIRXSQOM-UHFFFAOYSA-N 2 1 290.411 0.746 20 10 CCCDMP C[N@H+](Cc1cc(Br)ccc1O)C[C@H](O)C[NH3+] ZINC000841091975 616164396 /nfs/dbraw/zinc/16/43/96/616164396.db2.gz ITFLUIIUBIIQTH-SNVBAGLBSA-N 2 1 289.173 0.906 20 10 CCCDMP COc1c(O)c(C[NH2+]C[C@@H](C)C[NH3+])ccc1[N+](=O)[O-] ZINC000841049658 617149150 /nfs/dbraw/zinc/14/91/50/617149150.db2.gz UYFPCHWKRNSVJP-QMMMGPOBSA-N 2 1 269.301 0.993 20 10 CCCDMP Oc1ccc(C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c(O)c1 ZINC001235052854 806355433 /nfs/dbraw/zinc/35/54/33/806355433.db2.gz PYMHPYSEMMSTHU-CQSZACIVSA-N 2 1 263.341 0.235 20 10 CCCDMP Oc1ccc(C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c(O)c1 ZINC001235052854 806355443 /nfs/dbraw/zinc/35/54/43/806355443.db2.gz PYMHPYSEMMSTHU-CQSZACIVSA-N 2 1 263.341 0.235 20 10 CCCDMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2cc(O)c(O)cc2O)CC1 ZINC001205240562 803129859 /nfs/dbraw/zinc/12/98/59/803129859.db2.gz LJXKBRFCYSRWHP-AWEZNQCLSA-N 2 1 282.340 0.479 20 10 CCCDMP Oc1ccccc1C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000060332781 388936189 /nfs/dbraw/zinc/93/61/89/388936189.db2.gz GOODFERUMVOZMK-ZDUSSCGKSA-N 2 1 250.342 0.939 20 10 CCCDMP COc1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c(O)c1OC ZINC000893605171 631021915 /nfs/dbraw/zinc/02/19/15/631021915.db2.gz DLYRLILNQBMPSG-HNNXBMFYSA-N 2 1 296.367 0.566 20 10 CCCDMP COc1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c(O)c1OC ZINC000893605171 631021922 /nfs/dbraw/zinc/02/19/22/631021922.db2.gz DLYRLILNQBMPSG-HNNXBMFYSA-N 2 1 296.367 0.566 20 10 CCCDMP Oc1ccc(F)cc1C[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000841085557 642802753 /nfs/dbraw/zinc/80/27/53/642802753.db2.gz HAKQJPANBZHWDP-GFCCVEGCSA-N 2 1 254.305 0.999 20 10 CCCDMP Cc1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c(O)c1 ZINC000877364143 646803536 /nfs/dbraw/zinc/80/35/36/646803536.db2.gz KWIATNZGJJKWFI-CQSZACIVSA-N 2 1 250.342 0.857 20 10 CCCDMP Cc1ccc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)c(O)c1 ZINC000877364143 646803538 /nfs/dbraw/zinc/80/35/38/646803538.db2.gz KWIATNZGJJKWFI-CQSZACIVSA-N 2 1 250.342 0.857 20 10 CCCDMP COc1ccc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)c(O)c1 ZINC001234978650 806323079 /nfs/dbraw/zinc/32/30/79/806323079.db2.gz AYVPOPDEIAOELE-HNNXBMFYSA-N 2 1 277.368 0.538 20 10 CCCDMP Cc1ccc(C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c(O)c1 ZINC001235061355 806364602 /nfs/dbraw/zinc/36/46/02/806364602.db2.gz KQGVMTSZXMKFDF-OAHLLOKOSA-N 2 1 261.369 0.838 20 10 CCCDMP Cc1ccc(C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c(O)c1 ZINC001235061355 806364612 /nfs/dbraw/zinc/36/46/12/806364612.db2.gz KQGVMTSZXMKFDF-OAHLLOKOSA-N 2 1 261.369 0.838 20 10 CCCDMP COc1cc(C[N@@H+](C)C[C@@H](O)CO)cc(C[NH+](C)C)c1O ZINC001139255190 799800500 /nfs/dbraw/zinc/80/05/00/799800500.db2.gz NPYNMBWREGSPJS-CYBMUJFWSA-N 2 1 298.383 0.247 20 10 CCCDMP COc1cccc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c1O ZINC001206464859 803246975 /nfs/dbraw/zinc/24/69/75/803246975.db2.gz UUIYHTOIYZUMKP-WDEREUQCSA-N 2 1 252.314 0.152 20 10 CCCDMP CCOc1ccc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c(O)c1 ZINC001206480566 803250610 /nfs/dbraw/zinc/25/06/10/803250610.db2.gz CBJGXDJHMUGOQQ-SMDDNHRTSA-N 2 1 266.341 0.542 20 10 CCCDMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(Cl)cc2O)C[C@@H]1O ZINC001206524922 843860434 /nfs/dbraw/zinc/86/04/34/843860434.db2.gz ALWYPTGMWCKIKQ-CABZTGNLSA-N 2 1 256.733 0.797 20 10 CCCDMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2O)C[C@@H]1O ZINC001206524922 843860443 /nfs/dbraw/zinc/86/04/43/843860443.db2.gz ALWYPTGMWCKIKQ-CABZTGNLSA-N 2 1 256.733 0.797 20 10 CCCDMP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001205687947 846464376 /nfs/dbraw/zinc/46/43/76/846464376.db2.gz CAMZLGHKDGCRDS-AWEZNQCLSA-N 2 1 282.340 0.479 20 10 CCCDMP COc1cccc(O)c1C[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000841087324 642803478 /nfs/dbraw/zinc/80/34/78/642803478.db2.gz UTMKBXSEPQXOQQ-LLVKDONJSA-N 2 1 266.341 0.869 20 10 CCCDMP Cc1cccc(O)c1C[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000877018240 646717250 /nfs/dbraw/zinc/71/72/50/646717250.db2.gz UIBDYSJMSHWHPT-UHFFFAOYSA-N 2 1 291.395 0.954 20 10 CCCDMP COc1ccc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)c(O)c1 ZINC001234978653 806323431 /nfs/dbraw/zinc/32/34/31/806323431.db2.gz AYVPOPDEIAOELE-OAHLLOKOSA-N 2 1 277.368 0.538 20 10 CCCDMP COc1cc(C)c(CN2CC[NH2+]C[C@]23CC[NH2+]C3)c(O)c1 ZINC001234986936 806331643 /nfs/dbraw/zinc/33/16/43/806331643.db2.gz CVWWJSXGMWSNKF-MRXNPFEDSA-N 2 1 291.395 0.847 20 10 CCCDMP CN(C)c1ccc(C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001235051770 806353351 /nfs/dbraw/zinc/35/33/51/806353351.db2.gz LLVMEVSCVDMKRP-MRXNPFEDSA-N 2 1 274.412 0.890 20 10 CCCDMP CN(C)c1ccc(C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001235051770 806353359 /nfs/dbraw/zinc/35/33/59/806353359.db2.gz LLVMEVSCVDMKRP-MRXNPFEDSA-N 2 1 274.412 0.890 20 10 CCCDMP Cc1cccc(C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)c1O ZINC001235059034 806360584 /nfs/dbraw/zinc/36/05/84/806360584.db2.gz CSYCHDYAWDQAJC-HNNXBMFYSA-N 2 1 261.369 0.838 20 10 CCCDMP Oc1ccc(O)c(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)c1 ZINC001222094759 804869091 /nfs/dbraw/zinc/86/90/91/804869091.db2.gz JYXSSRWEBPJXLQ-UHFFFAOYSA-N 2 1 277.368 0.625 20 10 CCCDMP COc1cccc(O)c1C[NH+]1CCC([NH2+]CCO)CC1 ZINC000873218043 617305407 /nfs/dbraw/zinc/30/54/07/617305407.db2.gz XURWTTRISGVLQN-UHFFFAOYSA-N 2 1 280.368 0.947 20 10 CCCDMP CN1CCN(C2CN(Cc3cc(O)c(O)cc3O)C2)CC1 ZINC001233487019 806062504 /nfs/dbraw/zinc/06/25/04/806062504.db2.gz LUXXLLGWGAJYMP-UHFFFAOYSA-N 2 1 293.367 0.235 20 10 CCCDMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2c(O)cc(O)cc2O)CC1 ZINC001205228987 803127698 /nfs/dbraw/zinc/12/76/98/803127698.db2.gz LKBUYMDODPEYLV-CQSZACIVSA-N 2 1 282.340 0.479 20 10 CCCDMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(Cl)cc2O)C[C@H]1O ZINC001206467821 803246923 /nfs/dbraw/zinc/24/69/23/803246923.db2.gz ALWYPTGMWCKIKQ-JOYOIKCWSA-N 2 1 256.733 0.797 20 10 CCCDMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2O)C[C@H]1O ZINC001206467821 803246926 /nfs/dbraw/zinc/24/69/26/803246926.db2.gz ALWYPTGMWCKIKQ-JOYOIKCWSA-N 2 1 256.733 0.797 20 10 CCCDMP Oc1ccccc1C[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222085604 804863639 /nfs/dbraw/zinc/86/36/39/804863639.db2.gz DSGQHDRREIKMDP-UHFFFAOYSA-N 2 1 261.369 0.920 20 10 CCCDMP Cc1ccc(O)c(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000071409518 638573286 /nfs/dbraw/zinc/57/32/86/638573286.db2.gz IMBFCXWIISHSBX-CYBMUJFWSA-N 2 1 291.395 0.988 20 10 CCCDMP Cc1cc(C[N@@H+](C)C[C@@H](O)C[NH3+])ccc1N(C)C ZINC000923367770 640105507 /nfs/dbraw/zinc/10/55/07/640105507.db2.gz XIVCKZZELFVZRG-ZDUSSCGKSA-N 2 1 251.374 0.812 20 10 CCCDMP C[C@@]1([NH3+])CC[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)C1 ZINC001204792601 803101678 /nfs/dbraw/zinc/10/16/78/803101678.db2.gz WPHMMRYKARJUNL-MRXNPFEDSA-N 3 1 290.411 0.725 20 10 CCCDMP C[C@@]1([NH3+])CC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)C1 ZINC001204792601 803101680 /nfs/dbraw/zinc/10/16/80/803101680.db2.gz WPHMMRYKARJUNL-MRXNPFEDSA-N 3 1 290.411 0.725 20 10 CCCDMP COc1cccc(C[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)c1O ZINC001335379477 920157639 /nfs/dbraw/zinc/15/76/39/920157639.db2.gz AAOODBMRTOXKDS-UHFFFAOYSA-N 2 1 290.323 0.645 20 10 CCCDMP CN(C)c1ccc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)cc1 ZINC000038030982 174023581 /nfs/dbraw/zinc/02/35/81/174023581.db2.gz XNABTZNWNBLQQC-UHFFFAOYSA-N 2 1 290.411 0.616 20 10 CCCDMP COc1cc(C)cc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c1O ZINC000894470307 617175668 /nfs/dbraw/zinc/17/56/68/617175668.db2.gz UQPNWZPSEFXLBG-HNNXBMFYSA-N 2 1 280.368 0.865 20 10 CCCDMP COc1cc(C)cc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c1O ZINC000894470307 617175669 /nfs/dbraw/zinc/17/56/69/617175669.db2.gz UQPNWZPSEFXLBG-HNNXBMFYSA-N 2 1 280.368 0.865 20 10 CCCDMP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccccc1O ZINC000879650501 616966050 /nfs/dbraw/zinc/96/60/50/616966050.db2.gz FAIPRAHGOMCMDN-STQMWFEESA-N 2 1 282.384 0.982 20 10 CCCDMP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccccc1O ZINC000879650501 616966055 /nfs/dbraw/zinc/96/60/55/616966055.db2.gz FAIPRAHGOMCMDN-STQMWFEESA-N 2 1 282.384 0.982 20 10 CCCDMP Cc1ccc(O)c(C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)c1 ZINC001235055252 806359422 /nfs/dbraw/zinc/35/94/22/806359422.db2.gz UEOHNGMQWPSWFD-HNNXBMFYSA-N 2 1 261.369 0.838 20 10 CCCDMP Cc1ccc(O)c(C[NH+]2CCNCC[NH2+]CCNCC2)c1 ZINC001235871979 806511555 /nfs/dbraw/zinc/51/15/55/806511555.db2.gz WEWDREVNHDMDIK-UHFFFAOYSA-N 2 1 292.427 0.285 20 10 CCCDMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)C[C@@H]1O ZINC001206518647 803256517 /nfs/dbraw/zinc/25/65/17/803256517.db2.gz BZHXOQFTOWUMEW-HOCLYGCPSA-N 2 1 291.395 0.275 20 10 CCCDMP Oc1ccccc1C[N@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222492345 804906187 /nfs/dbraw/zinc/90/61/87/804906187.db2.gz TWSOQULWLLSBMX-KBPBESRZSA-N 2 1 261.369 0.918 20 10 CCCDMP CN(C)c1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000702636130 819153093 /nfs/dbraw/zinc/15/30/93/819153093.db2.gz LWCDOQKHNGBXSM-HNNXBMFYSA-N 2 1 263.385 0.909 20 10 CCCDMP CN(C)c1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC000702636130 819153099 /nfs/dbraw/zinc/15/30/99/819153099.db2.gz LWCDOQKHNGBXSM-HNNXBMFYSA-N 2 1 263.385 0.909 20 10 CCCDMP CN(C)c1ccc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)cc1 ZINC001234982239 806325273 /nfs/dbraw/zinc/32/52/73/806325273.db2.gz NTKGCURQVNNGTQ-INIZCTEOSA-N 2 1 274.412 0.890 20 10 CCCDMP Cc1cc(C)c(CNC(=O)C[NH2+]C2CC[NH2+]CC2)c(O)c1 ZINC001220825655 804675776 /nfs/dbraw/zinc/67/57/76/804675776.db2.gz PVWKBLKSZPVCII-UHFFFAOYSA-N 2 1 291.395 0.967 20 10 CCCDMP COc1ccc(O)c(CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)c1 ZINC001222492351 804906950 /nfs/dbraw/zinc/90/69/50/804906950.db2.gz UBUUMIJKTRZOJP-GJZGRUSLSA-N 2 1 291.395 0.927 20 10 CCCDMP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]Cc1cccc(O)c1O ZINC001253407889 808061819 /nfs/dbraw/zinc/06/18/19/808061819.db2.gz QZGWAJPMGRPGHA-NSHDSACASA-N 2 1 268.357 0.936 20 10 CCCDMP COc1ccc(O)c(C[N@@H+](C)CCOCC[NH3+])c1 ZINC000699489557 816746079 /nfs/dbraw/zinc/74/60/79/816746079.db2.gz IYFNQANBMCKOTR-UHFFFAOYSA-N 2 1 254.330 0.808 20 10 CCCDMP COc1cc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)c(O)cc1O ZINC001205240698 897724636 /nfs/dbraw/zinc/72/46/36/897724636.db2.gz NFAQSUAJMVFXCH-OAHLLOKOSA-N 2 1 296.367 0.782 20 10 CCCDMP Nc1ccc(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC001356082912 926341215 /nfs/dbraw/zinc/34/12/15/926341215.db2.gz HNHKPUJOQQYYJV-CYBMUJFWSA-N 2 1 276.384 0.556 20 10 CCCDMP COc1ccc(O)c(C[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)c1 ZINC000863648208 617273181 /nfs/dbraw/zinc/27/31/81/617273181.db2.gz NZARAJFXFHRFKJ-UHFFFAOYSA-N 2 1 290.323 0.645 20 10 CCCDMP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccccc1O ZINC000879648885 616966321 /nfs/dbraw/zinc/96/63/21/616966321.db2.gz FAIPRAHGOMCMDN-OLZOCXBDSA-N 2 1 282.384 0.982 20 10 CCCDMP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccccc1O ZINC000879648885 616966324 /nfs/dbraw/zinc/96/63/24/616966324.db2.gz FAIPRAHGOMCMDN-OLZOCXBDSA-N 2 1 282.384 0.982 20 10 CCCDMP [NH3+][C@]12CC[C@@H]1C[N@H+](Cc1c(O)cc(O)cc1O)C2 ZINC001235990453 806523033 /nfs/dbraw/zinc/52/30/33/806523033.db2.gz NAAVSHRSPRFEBI-OQPBUACISA-N 2 1 250.298 0.727 20 10 CCCDMP [NH3+][C@]12CC[C@@H]1C[N@@H+](Cc1c(O)cc(O)cc1O)C2 ZINC001235990453 806523035 /nfs/dbraw/zinc/52/30/35/806523035.db2.gz NAAVSHRSPRFEBI-OQPBUACISA-N 2 1 250.298 0.727 20 10 CCCDMP COc1ccc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c(O)c1 ZINC001235991944 806524293 /nfs/dbraw/zinc/52/42/93/806524293.db2.gz HGVQUROVNQNZNQ-ODOQXGPZSA-N 2 1 278.352 0.806 20 10 CCCDMP [NH3+]C[C@H]1C[N@H+](Cc2cc(Cl)ccc2O)C[C@H]1O ZINC001206463714 803246474 /nfs/dbraw/zinc/24/64/74/803246474.db2.gz CMEFOIYHDZTDLO-JOYOIKCWSA-N 2 1 256.733 0.797 20 10 CCCDMP [NH3+]C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2O)C[C@H]1O ZINC001206463714 803246475 /nfs/dbraw/zinc/24/64/75/803246475.db2.gz CMEFOIYHDZTDLO-JOYOIKCWSA-N 2 1 256.733 0.797 20 10 CCCDMP CCOc1cccc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c1O ZINC001206512609 803256002 /nfs/dbraw/zinc/25/60/02/803256002.db2.gz QWUYJOWFJCJQDS-RYUDHWBXSA-N 2 1 266.341 0.542 20 10 CCCDMP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000702629731 819153683 /nfs/dbraw/zinc/15/36/83/819153683.db2.gz STTYMANJJAUTLE-OAHLLOKOSA-N 2 1 262.353 0.778 20 10 CCCDMP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000702629731 819153686 /nfs/dbraw/zinc/15/36/86/819153686.db2.gz STTYMANJJAUTLE-OAHLLOKOSA-N 2 1 262.353 0.778 20 10 CCCDMP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000702629730 819154077 /nfs/dbraw/zinc/15/40/77/819154077.db2.gz STTYMANJJAUTLE-HNNXBMFYSA-N 2 1 262.353 0.778 20 10 CCCDMP C[N@H+]1CC[C@](O)(C[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000702629730 819154081 /nfs/dbraw/zinc/15/40/81/819154081.db2.gz STTYMANJJAUTLE-HNNXBMFYSA-N 2 1 262.353 0.778 20 10 CCCDMP COc1ccc(O)c(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)c1 ZINC000702643347 819159738 /nfs/dbraw/zinc/15/97/38/819159738.db2.gz SECUGRUPLGOKFP-CQSZACIVSA-N 2 1 266.341 0.557 20 10 CCCDMP COc1ccc(O)c(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c1 ZINC000702643347 819159739 /nfs/dbraw/zinc/15/97/39/819159739.db2.gz SECUGRUPLGOKFP-CQSZACIVSA-N 2 1 266.341 0.557 20 10 CCCDMP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C(N)=O ZINC001321296835 911211797 /nfs/dbraw/zinc/21/17/97/911211797.db2.gz UEXRGEWOZMHSSO-LLVKDONJSA-N 2 1 294.374 0.541 20 10 CCCDMP COc1cccc(O)c1C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000843123635 617305283 /nfs/dbraw/zinc/30/52/83/617305283.db2.gz TWENRAULOQHPFP-ZDUSSCGKSA-N 2 1 291.395 0.880 20 10 CCCDMP C[N@@H+]1C[C@H]2CN(Cc3cc(O)c(O)cc3O)C[C@H]2C1 ZINC001233486729 806060743 /nfs/dbraw/zinc/06/07/43/806060743.db2.gz ZKOAJAADJRPNOV-PHIMTYICSA-N 2 1 264.325 0.797 20 10 CCCDMP C[N@H+]1C[C@@H]2C[NH+](Cc3cc(O)c(O)cc3O)C[C@@H]2C1 ZINC001233486729 806060754 /nfs/dbraw/zinc/06/07/54/806060754.db2.gz ZKOAJAADJRPNOV-PHIMTYICSA-N 2 1 264.325 0.797 20 10 CCCDMP C[N@@H+]1C[C@@H]2C[NH+](Cc3cc(O)c(O)cc3O)C[C@@H]2C1 ZINC001233486729 806060762 /nfs/dbraw/zinc/06/07/62/806060762.db2.gz ZKOAJAADJRPNOV-PHIMTYICSA-N 2 1 264.325 0.797 20 10 CCCDMP C[NH+]1C[C@@H]2C[N@@H+](Cc3cc(O)c(O)cc3O)C[C@@H]2C1 ZINC001233486729 806060773 /nfs/dbraw/zinc/06/07/73/806060773.db2.gz ZKOAJAADJRPNOV-PHIMTYICSA-N 2 1 264.325 0.797 20 10 CCCDMP C[NH+]1C[C@@H]2C[N@H+](Cc3cc(O)c(O)cc3O)C[C@@H]2C1 ZINC001233486729 806060782 /nfs/dbraw/zinc/06/07/82/806060782.db2.gz ZKOAJAADJRPNOV-PHIMTYICSA-N 2 1 264.325 0.797 20 10 CCCDMP COc1cccc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)c1O ZINC001234981170 806325780 /nfs/dbraw/zinc/32/57/80/806325780.db2.gz HYCBALUJPIJBBB-OAHLLOKOSA-N 2 1 277.368 0.538 20 10 CCCDMP CCOc1cccc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)c1O ZINC001234983096 806328245 /nfs/dbraw/zinc/32/82/45/806328245.db2.gz SSAJGYMXPRDEKC-MRXNPFEDSA-N 2 1 291.395 0.928 20 10 CCCDMP Cc1cccc(C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c1O ZINC001235059035 806359317 /nfs/dbraw/zinc/35/93/17/806359317.db2.gz CSYCHDYAWDQAJC-OAHLLOKOSA-N 2 1 261.369 0.838 20 10 CCCDMP CC[NH+](CC)C[C@@H](O)C[NH2+]CCc1cc(O)c(O)cc1O ZINC001253205518 808030316 /nfs/dbraw/zinc/03/03/16/808030316.db2.gz DGROSFUURSOGPE-LBPRGKRZSA-N 2 1 298.383 0.638 20 10 CCCDMP [NH3+][C@@H](C[NH2+]Cc1cc2c(cc1O)OCO2)C1CC1 ZINC000841049270 642801107 /nfs/dbraw/zinc/80/11/07/642801107.db2.gz ISBTUHQAAKFPMX-JTQLQIEISA-N 2 1 250.298 0.948 20 10 CCCDMP Cc1c(O)ccc(C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c1O ZINC001235061333 806363418 /nfs/dbraw/zinc/36/34/18/806363418.db2.gz KMHOGNBEKDLUKL-OAHLLOKOSA-N 2 1 277.368 0.544 20 10 CCCDMP Cc1c(O)ccc(C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c1O ZINC001235061333 806363427 /nfs/dbraw/zinc/36/34/27/806363427.db2.gz KMHOGNBEKDLUKL-OAHLLOKOSA-N 2 1 277.368 0.544 20 10 CCCDMP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1ccc(O)cc1O ZINC001204279174 803077400 /nfs/dbraw/zinc/07/74/00/803077400.db2.gz SDQIFTMZODCAAH-UHFFFAOYSA-N 2 1 279.384 0.777 20 10 CCCDMP Cc1cc(N(C)C)ccc1C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000841091808 642803369 /nfs/dbraw/zinc/80/33/69/642803369.db2.gz GUJRXJANESHPTC-AWEZNQCLSA-N 2 1 251.374 0.812 20 10 CCCDMP COc1ccc(O)c(CN2CC[NH2+]C[C@]23CC[NH2+]C3)c1 ZINC001234979410 806324055 /nfs/dbraw/zinc/32/40/55/806324055.db2.gz DEEYGUIBLDXDSD-OAHLLOKOSA-N 2 1 277.368 0.538 20 10 CCCDMP Oc1ccc(F)cc1CN1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001234985850 806328217 /nfs/dbraw/zinc/32/82/17/806328217.db2.gz GIVGXXPFEPVKIT-AWEZNQCLSA-N 2 1 265.332 0.669 20 10 CCCDMP COc1cccc(C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c1O ZINC001235052297 806355571 /nfs/dbraw/zinc/35/55/71/806355571.db2.gz OLTSJKSRUQMMJU-OAHLLOKOSA-N 2 1 277.368 0.538 20 10 CCCDMP COc1cccc(C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c1O ZINC001235052297 806355580 /nfs/dbraw/zinc/35/55/80/806355580.db2.gz OLTSJKSRUQMMJU-OAHLLOKOSA-N 2 1 277.368 0.538 20 10 CCCDMP O=C(C[NH2+]C1CC[NH2+]CC1)NCc1ccccc1O ZINC001219923583 804448309 /nfs/dbraw/zinc/44/83/09/804448309.db2.gz SGWAWLHXANSLIA-UHFFFAOYSA-N 2 1 263.341 0.350 20 10 CCCDMP COc1ccc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c(O)c1 ZINC001206513050 843824757 /nfs/dbraw/zinc/82/47/57/843824757.db2.gz XNRZXKDSEGNJIQ-GWCFXTLKSA-N 2 1 252.314 0.152 20 10 CCCDMP C[NH+](C)CCN1CCC12C[NH+](Cc1cc(O)ccc1O)C2 ZINC001275419210 848717186 /nfs/dbraw/zinc/71/71/86/848717186.db2.gz SKKZAULNFIGNAO-UHFFFAOYSA-N 2 1 291.395 0.920 20 10 CCCDMP Nc1ccc(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC001356082913 926341934 /nfs/dbraw/zinc/34/19/34/926341934.db2.gz HNHKPUJOQQYYJV-ZDUSSCGKSA-N 2 1 276.384 0.556 20 10 CCCDMP Cc1ccc(O)c(C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c1 ZINC001235055253 806360191 /nfs/dbraw/zinc/36/01/91/806360191.db2.gz UEOHNGMQWPSWFD-OAHLLOKOSA-N 2 1 261.369 0.838 20 10 CCCDMP Cc1ccc(C[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)c(O)c1 ZINC001235061352 806363089 /nfs/dbraw/zinc/36/30/89/806363089.db2.gz KQGVMTSZXMKFDF-HNNXBMFYSA-N 2 1 261.369 0.838 20 10 CCCDMP Cc1ccc(C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)c(O)c1 ZINC001235061352 806363099 /nfs/dbraw/zinc/36/30/99/806363099.db2.gz KQGVMTSZXMKFDF-HNNXBMFYSA-N 2 1 261.369 0.838 20 10 CCCDMP [NH3+]C[C@H]1C[N@H+](Cc2cc(Cl)ccc2O)C[C@@H]1O ZINC001206511821 803256566 /nfs/dbraw/zinc/25/65/66/803256566.db2.gz CMEFOIYHDZTDLO-CABZTGNLSA-N 2 1 256.733 0.797 20 10 CCCDMP [NH3+]C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2O)C[C@@H]1O ZINC001206511821 803256570 /nfs/dbraw/zinc/25/65/70/803256570.db2.gz CMEFOIYHDZTDLO-CABZTGNLSA-N 2 1 256.733 0.797 20 10 CCCDMP Oc1ccc(O)c(CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)c1 ZINC001222502487 804908213 /nfs/dbraw/zinc/90/82/13/804908213.db2.gz KYLHTOWJDIWENV-KBPBESRZSA-N 2 1 277.368 0.624 20 10 CCCDMP COc1ccc(O)c(C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c1 ZINC001205946165 847897833 /nfs/dbraw/zinc/89/78/33/847897833.db2.gz JMISTLACCBNFEM-DGCLKSJQSA-N 2 1 252.314 0.295 20 10 CCCDMP COc1ccc(O)c(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c1 ZINC001205946165 847897836 /nfs/dbraw/zinc/89/78/36/847897836.db2.gz JMISTLACCBNFEM-DGCLKSJQSA-N 2 1 252.314 0.295 20 10 CCCDMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2ccc(O)c(O)c2)CC1 ZINC001205210515 897408034 /nfs/dbraw/zinc/40/80/34/897408034.db2.gz PGINJXQMIMEMEA-CQSZACIVSA-N 2 1 266.341 0.774 20 10 CCCDMP C[C@H]1C[N@H+](Cc2cc(O)c(O)c(O)c2)C[C@H]1C[NH3+] ZINC001205145859 803120730 /nfs/dbraw/zinc/12/07/30/803120730.db2.gz KQTOCNQSMLLTPX-WCBMZHEXSA-N 2 1 252.314 0.830 20 10 CCCDMP C[C@H]1C[N@@H+](Cc2cc(O)c(O)c(O)c2)C[C@H]1C[NH3+] ZINC001205145859 803120734 /nfs/dbraw/zinc/12/07/34/803120734.db2.gz KQTOCNQSMLLTPX-WCBMZHEXSA-N 2 1 252.314 0.830 20 10 CCCDMP CN1CCCc2cc(C[N@H+]3C[C@H](O)[C@@H](C[NH3+])C3)ccc21 ZINC001206518701 803259032 /nfs/dbraw/zinc/25/90/32/803259032.db2.gz FLODVWKJHYDYTL-HOCLYGCPSA-N 2 1 275.396 0.820 20 10 CCCDMP COc1ccc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c(O)c1 ZINC001206465173 843627334 /nfs/dbraw/zinc/62/73/34/843627334.db2.gz XNRZXKDSEGNJIQ-GXFFZTMASA-N 2 1 252.314 0.152 20 10 CCCDMP COc1cccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c1O ZINC001205947083 847905894 /nfs/dbraw/zinc/90/58/94/847905894.db2.gz WXUWUKKAIISKJO-GHMZBOCLSA-N 2 1 252.314 0.295 20 10 CCCDMP COc1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c1O ZINC001205947083 847905897 /nfs/dbraw/zinc/90/58/97/847905897.db2.gz WXUWUKKAIISKJO-GHMZBOCLSA-N 2 1 252.314 0.295 20 10 CCCDMP CCOc1ccc(C[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)c(O)c1 ZINC001235064266 806365518 /nfs/dbraw/zinc/36/55/18/806365518.db2.gz WOEYJJILPWZPFP-INIZCTEOSA-N 2 1 291.395 0.928 20 10 CCCDMP CCOc1ccc(C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)c(O)c1 ZINC001235064266 806365527 /nfs/dbraw/zinc/36/55/27/806365527.db2.gz WOEYJJILPWZPFP-INIZCTEOSA-N 2 1 291.395 0.928 20 10 CCCDMP C[N@@H+](CCC[NH3+])Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001235435274 806422482 /nfs/dbraw/zinc/42/24/82/806422482.db2.gz GGCHGENFMJUSSO-UHFFFAOYSA-N 3 1 262.401 0.877 20 10 CCCDMP C[C@@H]1C[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)C[C@H]1[NH3+] ZINC001206070412 803201358 /nfs/dbraw/zinc/20/13/58/803201358.db2.gz IGWNZSIUSGEFKC-IUODEOHRSA-N 3 1 290.411 0.581 20 10 CCCDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)C[C@H]1[NH3+] ZINC001206070412 803201363 /nfs/dbraw/zinc/20/13/63/803201363.db2.gz IGWNZSIUSGEFKC-IUODEOHRSA-N 3 1 290.411 0.581 20 10 CCCDMP Oc1cc(O)c(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)cc1Cl ZINC001234991119 806338325 /nfs/dbraw/zinc/33/83/25/806338325.db2.gz WMTMOBKHXMPHKA-AWEZNQCLSA-N 2 1 297.786 0.889 20 10 CCCDMP N[C@H]1C[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)CC[C@H]1F ZINC001235904882 806514983 /nfs/dbraw/zinc/51/49/83/806514983.db2.gz CBRSVMUUOHYPEW-CVEARBPZSA-N 2 1 292.402 0.967 20 10 CCCDMP N[C@H]1C[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)CC[C@H]1F ZINC001235904882 806514989 /nfs/dbraw/zinc/51/49/89/806514989.db2.gz CBRSVMUUOHYPEW-CVEARBPZSA-N 2 1 292.402 0.967 20 10 CCCDMP [NH3+]C[C@@]1(O)CCCC[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001205665026 803152566 /nfs/dbraw/zinc/15/25/66/803152566.db2.gz QBDSPOKPYKRJJX-AWEZNQCLSA-N 2 1 266.341 0.774 20 10 CCCDMP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2ccc(O)c(O)c2)C1 ZINC001205665026 803152568 /nfs/dbraw/zinc/15/25/68/803152568.db2.gz QBDSPOKPYKRJJX-AWEZNQCLSA-N 2 1 266.341 0.774 20 10 CCCDMP CCc1ccc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c(O)c1 ZINC001206481248 803251848 /nfs/dbraw/zinc/25/18/48/803251848.db2.gz QWCQKYAYPOMEQJ-GXTWGEPZSA-N 2 1 250.342 0.706 20 10 CCCDMP Cc1cc(C[N@@H+](C)C[C@H](O)C[NH3+])ccc1N(C)C ZINC000923367769 640105634 /nfs/dbraw/zinc/10/56/34/640105634.db2.gz XIVCKZZELFVZRG-CYBMUJFWSA-N 2 1 251.374 0.812 20 10 CCCDMP Oc1ccc(C[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)c(O)c1 ZINC001235052853 806354511 /nfs/dbraw/zinc/35/45/11/806354511.db2.gz PYMHPYSEMMSTHU-AWEZNQCLSA-N 2 1 263.341 0.235 20 10 CCCDMP Oc1ccc(C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)c(O)c1 ZINC001235052853 806354521 /nfs/dbraw/zinc/35/45/21/806354521.db2.gz PYMHPYSEMMSTHU-AWEZNQCLSA-N 2 1 263.341 0.235 20 10 CCCDMP Oc1cc(O)c(C[N@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)c(O)c1 ZINC001222502850 804908163 /nfs/dbraw/zinc/90/81/63/804908163.db2.gz USZWNOWQSIEUOU-STQMWFEESA-N 2 1 293.367 0.329 20 10 CCCDMP COc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c(O)c1 ZINC001205947224 847900234 /nfs/dbraw/zinc/90/02/34/847900234.db2.gz YWTIXUIAMNJWFS-DGCLKSJQSA-N 2 1 252.314 0.295 20 10 CCCDMP COc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c(O)c1 ZINC001205947224 847900226 /nfs/dbraw/zinc/90/02/26/847900226.db2.gz YWTIXUIAMNJWFS-DGCLKSJQSA-N 2 1 252.314 0.295 20 10 CCCDMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2ccc(O)c(O)c2)CC1 ZINC001205210514 897410670 /nfs/dbraw/zinc/41/06/70/897410670.db2.gz PGINJXQMIMEMEA-AWEZNQCLSA-N 2 1 266.341 0.774 20 10 CCCDMP Oc1ccccc1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000060332782 388936310 /nfs/dbraw/zinc/93/63/10/388936310.db2.gz GOODFERUMVOZMK-CYBMUJFWSA-N 2 1 250.342 0.939 20 10 CCCDMP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1ccccc1O ZINC000275196234 522672699 /nfs/dbraw/zinc/67/26/99/522672699.db2.gz FETWUWZXSIVANK-UHFFFAOYSA-N 2 1 291.395 0.988 20 10 CCCDMP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1ccccc1O ZINC000275196234 522672709 /nfs/dbraw/zinc/67/27/09/522672709.db2.gz FETWUWZXSIVANK-UHFFFAOYSA-N 2 1 291.395 0.988 20 10 CCCDMP COc1cccc(O)c1C[NH2+]CC1([NH3+])CCOCC1 ZINC000863481581 617305421 /nfs/dbraw/zinc/30/54/21/617305421.db2.gz JKKFFGXUFIXIHJ-UHFFFAOYSA-N 2 1 266.341 0.998 20 10 CCCDMP COc1c(O)c(C[NH2+]CCOCCC[NH3+])ccc1[N+](=O)[O-] ZINC000863650515 617149207 /nfs/dbraw/zinc/14/92/07/617149207.db2.gz UMMUCZTUSKRFES-UHFFFAOYSA-N 2 1 299.327 0.764 20 10 CCCDMP COc1ccc(C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c(O)c1 ZINC001235051290 806352854 /nfs/dbraw/zinc/35/28/54/806352854.db2.gz IBVVAYODYXHZFS-OAHLLOKOSA-N 2 1 277.368 0.538 20 10 CCCDMP COc1ccc(C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c(O)c1 ZINC001235051290 806352864 /nfs/dbraw/zinc/35/28/64/806352864.db2.gz IBVVAYODYXHZFS-OAHLLOKOSA-N 2 1 277.368 0.538 20 10 CCCDMP Cc1cc(C)c(CNC(=O)[C@@H]([NH3+])CC[NH3+])c(O)c1 ZINC001220825602 804673774 /nfs/dbraw/zinc/67/37/74/804673774.db2.gz NZCXWCSDCMFOSA-NSHDSACASA-N 2 1 251.330 0.301 20 10 CCCDMP Oc1ccc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)c(O)c1 ZINC001234980089 816788116 /nfs/dbraw/zinc/78/81/16/816788116.db2.gz FPTDAVKMRNYZAM-CQSZACIVSA-N 2 1 263.341 0.235 20 10 CCCDMP CCOc1cccc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)c1O ZINC000702574910 819146065 /nfs/dbraw/zinc/14/60/65/819146065.db2.gz UHNKUKZZSDIUMS-OAHLLOKOSA-N 2 1 280.368 0.947 20 10 CCCDMP CCOc1cccc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c1O ZINC000702574910 819146069 /nfs/dbraw/zinc/14/60/69/819146069.db2.gz UHNKUKZZSDIUMS-OAHLLOKOSA-N 2 1 280.368 0.947 20 10 CCCDMP C[NH+](C)CCN1CC[NH+](Cc2cc(O)c(O)cc2O)CC1 ZINC001233482485 806059796 /nfs/dbraw/zinc/05/97/96/806059796.db2.gz PFMHBDVCCQPFTC-UHFFFAOYSA-N 2 1 295.383 0.483 20 10 CCCDMP Cc1cccc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)c1O ZINC001234986185 806331372 /nfs/dbraw/zinc/33/13/72/806331372.db2.gz BUHRGHVEZLFBIQ-OAHLLOKOSA-N 2 1 261.369 0.838 20 10 CCCDMP CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]([NH3+])CC[NH3+] ZINC001161135264 802098273 /nfs/dbraw/zinc/09/82/73/802098273.db2.gz WKBNAVBYBDQVLD-AWEZNQCLSA-N 2 1 278.400 0.777 20 10 CCCDMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)C[C@H]1O ZINC001206467861 803246962 /nfs/dbraw/zinc/24/69/62/803246962.db2.gz BZHXOQFTOWUMEW-GOEBONIOSA-N 2 1 291.395 0.275 20 10 CCCDMP Oc1cc(C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)cc(O)c1O ZINC001222100081 804870436 /nfs/dbraw/zinc/87/04/36/804870436.db2.gz ULYUPBGUYLVNSN-UHFFFAOYSA-N 2 1 293.367 0.331 20 10 CCCDMP Oc1cc(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)cc(O)c1O ZINC001222100081 804870443 /nfs/dbraw/zinc/87/04/43/804870443.db2.gz ULYUPBGUYLVNSN-UHFFFAOYSA-N 2 1 293.367 0.331 20 10 CCCDMP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000702574972 819145880 /nfs/dbraw/zinc/14/58/80/819145880.db2.gz UKBVPZBCEWAKKD-AWEZNQCLSA-N 2 1 280.324 0.277 20 10 CCCDMP C[N@H+]1CC[C@](O)(C[NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000702574972 819145882 /nfs/dbraw/zinc/14/58/82/819145882.db2.gz UKBVPZBCEWAKKD-AWEZNQCLSA-N 2 1 280.324 0.277 20 10 CCCDMP COc1ccc(O)c(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c1 ZINC000702643344 819159726 /nfs/dbraw/zinc/15/97/26/819159726.db2.gz SECUGRUPLGOKFP-AWEZNQCLSA-N 2 1 266.341 0.557 20 10 CCCDMP COc1ccc(O)c(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC000702643344 819159730 /nfs/dbraw/zinc/15/97/30/819159730.db2.gz SECUGRUPLGOKFP-AWEZNQCLSA-N 2 1 266.341 0.557 20 10 CCCDMP COc1cccc(O)c1C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000841100904 617305233 /nfs/dbraw/zinc/30/52/33/617305233.db2.gz NNSJCHPTAXMYNK-LLVKDONJSA-N 2 1 266.341 0.950 20 10 CCCDMP COc1cccc(O)c1C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000841100904 617305235 /nfs/dbraw/zinc/30/52/35/617305235.db2.gz NNSJCHPTAXMYNK-LLVKDONJSA-N 2 1 266.341 0.950 20 10 CCCDMP CCO[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)C[C@H]1C[NH3+] ZINC000844906993 615417320 /nfs/dbraw/zinc/41/73/20/615417320.db2.gz XYIBRNNTKBLNPF-IAQYHMDHSA-N 2 1 294.351 0.917 20 10 CCCDMP CN(C)c1ccc(C[N@H+](C)C[C@@H](O)C[NH3+])cc1F ZINC000841093993 616166712 /nfs/dbraw/zinc/16/67/12/616166712.db2.gz WECMUSYPUGUGIF-NSHDSACASA-N 2 1 255.337 0.643 20 10 CCCDMP CN(C)c1ccc(C[N@@H+](C)C[C@@H](O)C[NH3+])cc1F ZINC000841093993 616166713 /nfs/dbraw/zinc/16/67/13/616166713.db2.gz WECMUSYPUGUGIF-NSHDSACASA-N 2 1 255.337 0.643 20 10 CCCDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1CCC2(C[NH2+]C2)C1 ZINC001235024460 806348101 /nfs/dbraw/zinc/34/81/01/806348101.db2.gz LZQOTZPXGHNESS-UHFFFAOYSA-N 3 1 286.423 0.892 20 10 CCCDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CCC2(C[NH2+]C2)C1 ZINC001235024460 806348111 /nfs/dbraw/zinc/34/81/11/806348111.db2.gz LZQOTZPXGHNESS-UHFFFAOYSA-N 3 1 286.423 0.892 20 10 CCCDMP COc1cccc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c1O ZINC001235994601 806525078 /nfs/dbraw/zinc/52/50/78/806525078.db2.gz YUODKEWKHREBSC-ONXXMXGDSA-N 2 1 278.352 0.806 20 10 CCCDMP CN(C)c1ccc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c(O)c1 ZINC001235999338 806526455 /nfs/dbraw/zinc/52/64/55/806526455.db2.gz APORALNPDIVPHW-OCZCAGDBSA-N 2 1 291.395 0.864 20 10 CCCDMP [NH3+]C[C@]1(O)CCCC[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001205665028 803153296 /nfs/dbraw/zinc/15/32/96/803153296.db2.gz QBDSPOKPYKRJJX-CQSZACIVSA-N 2 1 266.341 0.774 20 10 CCCDMP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2ccc(O)c(O)c2)C1 ZINC001205665028 803153302 /nfs/dbraw/zinc/15/33/02/803153302.db2.gz QBDSPOKPYKRJJX-CQSZACIVSA-N 2 1 266.341 0.774 20 10 CCCDMP Cc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)ccc1N(C)C ZINC001205952863 803190996 /nfs/dbraw/zinc/19/09/96/803190996.db2.gz CQARBFYHAZRSOC-UKRRQHHQSA-N 2 1 263.385 0.955 20 10 CCCDMP Cc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)ccc1N(C)C ZINC001205952863 803190998 /nfs/dbraw/zinc/19/09/98/803190998.db2.gz CQARBFYHAZRSOC-UKRRQHHQSA-N 2 1 263.385 0.955 20 10 CCCDMP COc1cc(O)c(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1OC ZINC000762791277 581961853 /nfs/dbraw/zinc/96/18/53/581961853.db2.gz NHIZWMFQNBBDNA-HNNXBMFYSA-N 2 1 296.367 0.566 20 10 CCCDMP COc1cc(O)c(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1OC ZINC000762791277 581961855 /nfs/dbraw/zinc/96/18/55/581961855.db2.gz NHIZWMFQNBBDNA-HNNXBMFYSA-N 2 1 296.367 0.566 20 10 CCCDMP COc1cccc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1O ZINC000314639419 631015927 /nfs/dbraw/zinc/01/59/27/631015927.db2.gz WFDMLLVFHBZVKH-AWEZNQCLSA-N 2 1 291.395 0.880 20 10 CCCDMP Cc1cc(N(C)C)ccc1C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000841091809 642803168 /nfs/dbraw/zinc/80/31/68/642803168.db2.gz GUJRXJANESHPTC-CQSZACIVSA-N 2 1 251.374 0.812 20 10 CCCDMP Oc1cccc(F)c1CN1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001234982946 806326715 /nfs/dbraw/zinc/32/67/15/806326715.db2.gz RZXXRUNVFQVJMS-AWEZNQCLSA-N 2 1 265.332 0.669 20 10 CCCDMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CCc2cccc(O)c2C1 ZINC001160873427 802036558 /nfs/dbraw/zinc/03/65/58/802036558.db2.gz ZKVYHXWNDYDXMR-UHFFFAOYSA-N 2 1 289.379 0.619 20 10 CCCDMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2cc(O)c(O)cc2O)CC1 ZINC001205240563 803129321 /nfs/dbraw/zinc/12/93/21/803129321.db2.gz LJXKBRFCYSRWHP-CQSZACIVSA-N 2 1 282.340 0.479 20 10 CCCDMP COc1cc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)c(O)cc1O ZINC001205240697 803130212 /nfs/dbraw/zinc/13/02/12/803130212.db2.gz NFAQSUAJMVFXCH-HNNXBMFYSA-N 2 1 296.367 0.782 20 10 CCCDMP COc1cc(O)c(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c(OC)c1 ZINC001206474895 803250182 /nfs/dbraw/zinc/25/01/82/803250182.db2.gz IBTJVOJOUXGBOU-TVQRCGJNSA-N 2 1 282.340 0.161 20 10 CCCDMP COc1cc(O)c(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c(OC)c1 ZINC001206474895 803250185 /nfs/dbraw/zinc/25/01/85/803250185.db2.gz IBTJVOJOUXGBOU-TVQRCGJNSA-N 2 1 282.340 0.161 20 10 CCCDMP Oc1cc(O)c(CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)cc1O ZINC001222506927 804910083 /nfs/dbraw/zinc/91/00/83/804910083.db2.gz HZADKQYHSMYZFR-RYUDHWBXSA-N 2 1 293.367 0.329 20 10 CCCDMP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2cc(F)ccc2O)C1 ZINC000702594066 819148302 /nfs/dbraw/zinc/14/83/02/819148302.db2.gz SLIZZDZBANUHDN-CYBMUJFWSA-N 2 1 254.305 0.688 20 10 CCCDMP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2cc(F)ccc2O)C1 ZINC000702594066 819148308 /nfs/dbraw/zinc/14/83/08/819148308.db2.gz SLIZZDZBANUHDN-CYBMUJFWSA-N 2 1 254.305 0.688 20 10 CCCDMP COc1cc(C[NH+]2CC(CO)C2)cc(C[NH+](C)C)c1O ZINC001139257261 799800684 /nfs/dbraw/zinc/80/06/84/799800684.db2.gz WHIPNLSONLTURU-UHFFFAOYSA-N 2 1 280.368 0.887 20 10 CCCDMP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1CCC[NH2+]CC1 ZINC001204675818 812361085 /nfs/dbraw/zinc/36/10/85/812361085.db2.gz ZFDFCQGWEMBTJK-UHFFFAOYSA-N 3 1 290.411 0.597 20 10 CCCDMP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CCC[NH2+]CC1 ZINC001204675818 812361097 /nfs/dbraw/zinc/36/10/97/812361097.db2.gz ZFDFCQGWEMBTJK-UHFFFAOYSA-N 3 1 290.411 0.597 20 10 CCCDMP Cc1c(O)ccc(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)c1O ZINC001222095605 804867877 /nfs/dbraw/zinc/86/78/77/804867877.db2.gz WPQRYOWUTMNKFZ-UHFFFAOYSA-N 2 1 291.395 0.934 20 10 CCCDMP CCOc1ccc(O)c(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)c1 ZINC000762570208 581951649 /nfs/dbraw/zinc/95/16/49/581951649.db2.gz YYQTUZWJLAOTGV-OAHLLOKOSA-N 2 1 280.368 0.947 20 10 CCCDMP CCOc1ccc(O)c(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c1 ZINC000762570208 581951650 /nfs/dbraw/zinc/95/16/50/581951650.db2.gz YYQTUZWJLAOTGV-OAHLLOKOSA-N 2 1 280.368 0.947 20 10 CCCDMP NC[C@H]1CCC[N@@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001236251270 806556944 /nfs/dbraw/zinc/55/69/44/806556944.db2.gz RKMSKJHORPKSEO-OAHLLOKOSA-N 2 1 290.411 0.725 20 10 CCCDMP NC[C@H]1CCC[N@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001236251270 806556948 /nfs/dbraw/zinc/55/69/48/806556948.db2.gz RKMSKJHORPKSEO-OAHLLOKOSA-N 2 1 290.411 0.725 20 10 CCCDMP CN1CCCc2cc(C[N@@H+]3CC[C@@H]([NH3+])[C@H](O)C3)ccc21 ZINC001205952839 803190954 /nfs/dbraw/zinc/19/09/54/803190954.db2.gz BXZWCFUIOCFVIU-GDBMZVCRSA-N 2 1 275.396 0.963 20 10 CCCDMP CN1CCCc2cc(C[N@H+]3CC[C@@H]([NH3+])[C@H](O)C3)ccc21 ZINC001205952839 803190957 /nfs/dbraw/zinc/19/09/57/803190957.db2.gz BXZWCFUIOCFVIU-GDBMZVCRSA-N 2 1 275.396 0.963 20 10 CCCDMP CCOc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c(O)c1 ZINC001205973133 803195009 /nfs/dbraw/zinc/19/50/09/803195009.db2.gz IONWSVLPBNIRIF-TZMCWYRMSA-N 2 1 266.341 0.685 20 10 CCCDMP CCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c(O)c1 ZINC001205973133 803195012 /nfs/dbraw/zinc/19/50/12/803195012.db2.gz IONWSVLPBNIRIF-TZMCWYRMSA-N 2 1 266.341 0.685 20 10 CCCDMP CCOc1ccc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c(O)c1 ZINC001206534758 803262975 /nfs/dbraw/zinc/26/29/75/803262975.db2.gz CBJGXDJHMUGOQQ-FZMZJTMJSA-N 2 1 266.341 0.542 20 10 CCCDMP Nc1ccc(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)cc1 ZINC001222099332 804867498 /nfs/dbraw/zinc/86/74/98/804867498.db2.gz AMGBTHFPVORPSD-UHFFFAOYSA-N 2 1 260.385 0.796 20 10 CCCDMP Oc1cc(O)c(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)cc1O ZINC001222100236 804870026 /nfs/dbraw/zinc/87/00/26/804870026.db2.gz ZESIWUCOCYPFPF-UHFFFAOYSA-N 2 1 293.367 0.331 20 10 CCCDMP c1cc(N2CC[NH2+]CC2)ccc1CNC1CC[NH2+]CC1 ZINC001246171737 807175549 /nfs/dbraw/zinc/17/55/49/807175549.db2.gz CTMBKJKGDRZROL-UHFFFAOYSA-N 2 1 274.412 0.938 20 10 CCCDMP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H](O)CO)cc2F)CC1 ZINC001256279816 808487909 /nfs/dbraw/zinc/48/79/09/808487909.db2.gz QGELZYUWWYRQTN-ZDUSSCGKSA-N 2 1 297.374 0.020 20 10 CCCDMP Cc1ccc(C)c(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c1O ZINC001205960033 848070687 /nfs/dbraw/zinc/07/06/87/848070687.db2.gz YAKFCTQSITXOLT-CHWSQXEVSA-N 2 1 250.342 0.903 20 10 CCCDMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+]2Cc1cc(O)ccc1O ZINC001275418978 848716294 /nfs/dbraw/zinc/71/62/94/848716294.db2.gz OFCSXCLPSQHEAM-OKILXGFUSA-N 2 1 291.395 0.918 20 10 CCCDMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+]2Cc1cc(O)ccc1O ZINC001275418978 848716297 /nfs/dbraw/zinc/71/62/97/848716297.db2.gz OFCSXCLPSQHEAM-OKILXGFUSA-N 2 1 291.395 0.918 20 10 CCCDMP COc1ccc(O)c(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000385193706 853885894 /nfs/dbraw/zinc/88/58/94/853885894.db2.gz NVHZDUWNEJRPLD-AWEZNQCLSA-N 2 1 291.395 0.880 20 10 CCCDMP CCOc1ccc(O)c(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c1 ZINC000762570205 581951798 /nfs/dbraw/zinc/95/17/98/581951798.db2.gz YYQTUZWJLAOTGV-HNNXBMFYSA-N 2 1 280.368 0.947 20 10 CCCDMP CCOc1ccc(O)c(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC000762570205 581951800 /nfs/dbraw/zinc/95/18/00/581951800.db2.gz YYQTUZWJLAOTGV-HNNXBMFYSA-N 2 1 280.368 0.947 20 10 CCCDMP CNC(=O)C[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000827867784 616591075 /nfs/dbraw/zinc/59/10/75/616591075.db2.gz PIGLFBBQMPTIPK-UHFFFAOYSA-N 2 1 290.411 0.616 20 10 CCCDMP CNC(=O)C[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000827867784 616591079 /nfs/dbraw/zinc/59/10/79/616591079.db2.gz PIGLFBBQMPTIPK-UHFFFAOYSA-N 2 1 290.411 0.616 20 10 CCCDMP Cc1cccc(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1O ZINC000843047954 642981454 /nfs/dbraw/zinc/98/14/54/642981454.db2.gz DERMXAIZXPHNCR-CQSZACIVSA-N 2 1 291.395 0.988 20 10 CCCDMP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccccc1O ZINC000879648883 647089831 /nfs/dbraw/zinc/08/98/31/647089831.db2.gz FAIPRAHGOMCMDN-CHWSQXEVSA-N 2 1 282.384 0.982 20 10 CCCDMP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccccc1O ZINC000879648883 647089836 /nfs/dbraw/zinc/08/98/36/647089836.db2.gz FAIPRAHGOMCMDN-CHWSQXEVSA-N 2 1 282.384 0.982 20 10 CCCDMP Cc1c(O)ccc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)c1O ZINC001234992307 806337756 /nfs/dbraw/zinc/33/77/56/806337756.db2.gz YIKZNQBYVUVPGA-OAHLLOKOSA-N 2 1 277.368 0.544 20 10 CCCDMP COc1ccc(O)c(C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c1 ZINC001235054275 806358249 /nfs/dbraw/zinc/35/82/49/806358249.db2.gz VOGYKMZMBCLPBD-OAHLLOKOSA-N 2 1 277.368 0.538 20 10 CCCDMP COc1ccc(O)c(C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c1 ZINC001235054275 806358260 /nfs/dbraw/zinc/35/82/60/806358260.db2.gz VOGYKMZMBCLPBD-OAHLLOKOSA-N 2 1 277.368 0.538 20 10 CCCDMP Cc1cc(F)cc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c1O ZINC001206491741 803253334 /nfs/dbraw/zinc/25/33/34/803253334.db2.gz KWWFMSFRUDOAST-CMPLNLGQSA-N 2 1 254.305 0.591 20 10 CCCDMP COc1cc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c(O)c(OC)c1 ZINC001206492540 803255562 /nfs/dbraw/zinc/25/55/62/803255562.db2.gz WIYAUCCCVBWNFF-CMPLNLGQSA-N 2 1 282.340 0.161 20 10 CCCDMP COc1cc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c(O)c(OC)c1 ZINC001206492540 803255567 /nfs/dbraw/zinc/25/55/67/803255567.db2.gz WIYAUCCCVBWNFF-CMPLNLGQSA-N 2 1 282.340 0.161 20 10 CCCDMP Cc1cc(F)cc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c1O ZINC001206535506 803263221 /nfs/dbraw/zinc/26/32/21/803263221.db2.gz KWWFMSFRUDOAST-JQWIXIFHSA-N 2 1 254.305 0.591 20 10 CCCDMP Oc1cc2c(cc1C[NH+]1C[C@@H]3C[NH2+]C[C@H]3C1)OCO2 ZINC000770395122 581741612 /nfs/dbraw/zinc/74/16/12/581741612.db2.gz PSYSKDOLJJEFPZ-QWRGUYRKSA-N 2 1 262.309 0.772 20 10 CCCDMP C[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1ccc(F)cc1O ZINC000817945821 641280858 /nfs/dbraw/zinc/28/08/58/641280858.db2.gz MUKZHNVDKUFSFX-JTQLQIEISA-N 2 1 281.331 0.614 20 10 CCCDMP Cc1cccc(O)c1C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000877364028 646803512 /nfs/dbraw/zinc/80/35/12/646803512.db2.gz UUABMGANEFZEBR-AWEZNQCLSA-N 2 1 250.342 0.857 20 10 CCCDMP Cc1cccc(O)c1C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000877364028 646803513 /nfs/dbraw/zinc/80/35/13/646803513.db2.gz UUABMGANEFZEBR-AWEZNQCLSA-N 2 1 250.342 0.857 20 10 CCCDMP Oc1ccc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)cc1O ZINC001234981238 806325381 /nfs/dbraw/zinc/32/53/81/806325381.db2.gz JBFHAQBGYXJVON-CQSZACIVSA-N 2 1 263.341 0.235 20 10 CCCDMP COc1cc(C)c(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)c(O)c1 ZINC001234986935 806329693 /nfs/dbraw/zinc/32/96/93/806329693.db2.gz CVWWJSXGMWSNKF-INIZCTEOSA-N 2 1 291.395 0.847 20 10 CCCDMP Cc1c(O)ccc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c1O ZINC001235994641 806526051 /nfs/dbraw/zinc/52/60/51/806526051.db2.gz OXGXKODQDKHNAP-ONXXMXGDSA-N 2 1 278.352 0.812 20 10 CCCDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C[C@@H](O)CO ZINC001139407831 799809351 /nfs/dbraw/zinc/80/93/51/799809351.db2.gz MVSBXNFIMCTZNF-MRXNPFEDSA-N 2 1 293.411 0.223 20 10 CCCDMP COc1cc(N(C)C)ccc1C[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206530461 803261971 /nfs/dbraw/zinc/26/19/71/803261971.db2.gz KDBMOKILXGGJHR-JSGCOSHPSA-N 2 1 279.384 0.513 20 10 CCCDMP COc1cc(N(C)C)ccc1C[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206530461 803261973 /nfs/dbraw/zinc/26/19/73/803261973.db2.gz KDBMOKILXGGJHR-JSGCOSHPSA-N 2 1 279.384 0.513 20 10 CCCDMP C[N@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H](O)C[NH3+] ZINC000923366317 616167289 /nfs/dbraw/zinc/16/72/89/616167289.db2.gz LCKXNIRDJHJVGX-HNNXBMFYSA-N 2 1 279.384 0.275 20 10 CCCDMP COc1ccc(O)c(C[N@@H+]2CCCO[C@@H](C[NH3+])C2)c1 ZINC000313349030 625770687 /nfs/dbraw/zinc/77/06/87/625770687.db2.gz UQWSMJBTAFMSFQ-ZDUSSCGKSA-N 2 1 266.341 0.950 20 10 CCCDMP COc1ccc(O)c(C[N@H+]2CCCO[C@@H](C[NH3+])C2)c1 ZINC000313349030 625770691 /nfs/dbraw/zinc/77/06/91/625770691.db2.gz UQWSMJBTAFMSFQ-ZDUSSCGKSA-N 2 1 266.341 0.950 20 10 CCCDMP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccccc1O ZINC000879650500 647089683 /nfs/dbraw/zinc/08/96/83/647089683.db2.gz FAIPRAHGOMCMDN-QWHCGFSZSA-N 2 1 282.384 0.982 20 10 CCCDMP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccccc1O ZINC000879650500 647089685 /nfs/dbraw/zinc/08/96/85/647089685.db2.gz FAIPRAHGOMCMDN-QWHCGFSZSA-N 2 1 282.384 0.982 20 10 CCCDMP COc1ccc(O)c(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)c1 ZINC001234979409 806324559 /nfs/dbraw/zinc/32/45/59/806324559.db2.gz DEEYGUIBLDXDSD-HNNXBMFYSA-N 2 1 277.368 0.538 20 10 CCCDMP Cc1cccc(O)c1C[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235065787 806368235 /nfs/dbraw/zinc/36/82/35/806368235.db2.gz YYLCQSJPNFXSEQ-HNNXBMFYSA-N 2 1 261.369 0.838 20 10 CCCDMP C[C@H]1C[N@@H+](Cc2cc(O)c(O)cc2O)C[C@H]1C[NH3+] ZINC001205151730 803122325 /nfs/dbraw/zinc/12/23/25/803122325.db2.gz ZXHFPUUUPXEILX-WCBMZHEXSA-N 2 1 252.314 0.830 20 10 CCCDMP Cc1c(O)ccc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c1O ZINC001206524995 843859718 /nfs/dbraw/zinc/85/97/18/843859718.db2.gz FQXDTPUWJUVNRI-JQWIXIFHSA-N 2 1 252.314 0.158 20 10 CCCDMP C[NH+](C)CCN1CC[N@@H+](Cc2ccccc2O)CCC1=O ZINC001203558705 897833685 /nfs/dbraw/zinc/83/36/85/897833685.db2.gz XDHOZBVOUAPJBQ-UHFFFAOYSA-N 2 1 291.395 0.988 20 10 CCCDMP COc1cc(C)cc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)c1O ZINC000894470309 617176142 /nfs/dbraw/zinc/17/61/42/617176142.db2.gz UQPNWZPSEFXLBG-OAHLLOKOSA-N 2 1 280.368 0.865 20 10 CCCDMP COc1cc(C)cc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c1O ZINC000894470309 617176143 /nfs/dbraw/zinc/17/61/43/617176143.db2.gz UQPNWZPSEFXLBG-OAHLLOKOSA-N 2 1 280.368 0.865 20 10 CCCDMP CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000844219183 616014987 /nfs/dbraw/zinc/01/49/87/616014987.db2.gz HCGIDNFQIHBQBB-AWEZNQCLSA-N 2 1 290.411 0.649 20 10 CCCDMP CN(C)c1ccc(CNC(=O)C[N@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000844219183 616014988 /nfs/dbraw/zinc/01/49/88/616014988.db2.gz HCGIDNFQIHBQBB-AWEZNQCLSA-N 2 1 290.411 0.649 20 10 CCCDMP CN(C)c1ccc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)c(O)c1 ZINC001234991833 806338412 /nfs/dbraw/zinc/33/84/12/806338412.db2.gz QCYQGXVESXTPHI-INIZCTEOSA-N 2 1 290.411 0.596 20 10 CCCDMP CCOc1cccc(C[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)c1O ZINC001235052902 806355653 /nfs/dbraw/zinc/35/56/53/806355653.db2.gz RFUUNWXYTYFLSA-INIZCTEOSA-N 2 1 291.395 0.928 20 10 CCCDMP CCOc1cccc(C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)c1O ZINC001235052902 806355663 /nfs/dbraw/zinc/35/56/63/806355663.db2.gz RFUUNWXYTYFLSA-INIZCTEOSA-N 2 1 291.395 0.928 20 10 CCCDMP [NH3+][C@@]12CC[C@@H]1C[N@H+](Cc1c(O)cc(O)cc1O)C2 ZINC001235990448 806522563 /nfs/dbraw/zinc/52/25/63/806522563.db2.gz NAAVSHRSPRFEBI-AMIZOPFISA-N 2 1 250.298 0.727 20 10 CCCDMP [NH3+][C@@]12CC[C@@H]1C[N@@H+](Cc1c(O)cc(O)cc1O)C2 ZINC001235990448 806522564 /nfs/dbraw/zinc/52/25/64/806522564.db2.gz NAAVSHRSPRFEBI-AMIZOPFISA-N 2 1 250.298 0.727 20 10 CCCDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C[C@H](O)CO ZINC001139407830 799809491 /nfs/dbraw/zinc/80/94/91/799809491.db2.gz MVSBXNFIMCTZNF-INIZCTEOSA-N 2 1 293.411 0.223 20 10 CCCDMP C[NH+](C)Cc1c(F)cc(N(CC[NH3+])CCO)cc1F ZINC001163836649 802622924 /nfs/dbraw/zinc/62/29/24/802622924.db2.gz YNRZIPPEGXDEBZ-UHFFFAOYSA-N 2 1 273.327 0.784 20 10 CCCDMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2cc(O)ccc2O)CC1 ZINC001205228652 803127233 /nfs/dbraw/zinc/12/72/33/803127233.db2.gz GYSIYUYDQPTQCE-CQSZACIVSA-N 2 1 266.341 0.774 20 10 CCCDMP Oc1ccc(CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)cc1O ZINC001222492192 804905702 /nfs/dbraw/zinc/90/57/02/804905702.db2.gz QJKUTBBXAJCZLL-STQMWFEESA-N 2 1 277.368 0.624 20 10 CCCDMP Cc1ccc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)c(O)c1 ZINC001234986341 816789965 /nfs/dbraw/zinc/78/99/65/816789965.db2.gz JVJOMRLVPDINBS-OAHLLOKOSA-N 2 1 261.369 0.838 20 10 CCCDMP COc1ccc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)cc1C ZINC000262153433 330000829 /nfs/dbraw/zinc/00/08/29/330000829.db2.gz RLMDVJJAIOOLLD-QWHCGFSZSA-N 2 1 250.342 0.674 20 10 CCCDMP Cc1cccc(C[NH+]2CCNCC[NH2+]CCNCC2)c1O ZINC001235870560 806512211 /nfs/dbraw/zinc/51/22/11/806512211.db2.gz KGOJAKOYXKSFEI-UHFFFAOYSA-N 2 1 292.427 0.285 20 10 CCCDMP COc1ccc(O)c(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)c1 ZINC001222086085 804865610 /nfs/dbraw/zinc/86/56/10/804865610.db2.gz RVYXZTXNNOQJEG-UHFFFAOYSA-N 2 1 291.395 0.928 20 10 CCCDMP COc1cc(C)c(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)c(O)c1 ZINC001308665458 908426828 /nfs/dbraw/zinc/42/68/28/908426828.db2.gz LFAGQPKFINJSSA-OAHLLOKOSA-N 2 1 280.368 0.865 20 10 CCCDMP COc1cc(C)c(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c(O)c1 ZINC001308665458 908426839 /nfs/dbraw/zinc/42/68/39/908426839.db2.gz LFAGQPKFINJSSA-OAHLLOKOSA-N 2 1 280.368 0.865 20 10 CCCDMP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H]2CSC[NH2+]2)cc1 ZINC000841846210 616018954 /nfs/dbraw/zinc/01/89/54/616018954.db2.gz KYSPTIWRMUKPIX-QWHCGFSZSA-N 2 1 294.424 0.531 20 10 CCCDMP [NH3+]C[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)C1CC1 ZINC000841028783 633210805 /nfs/dbraw/zinc/21/08/05/633210805.db2.gz RVZJZIXQJYJJKY-JTQLQIEISA-N 2 1 250.298 0.948 20 10 CCCDMP C[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1ccc(F)cc1O ZINC000817945822 641281064 /nfs/dbraw/zinc/28/10/64/641281064.db2.gz MUKZHNVDKUFSFX-SNVBAGLBSA-N 2 1 281.331 0.614 20 10 CCCDMP Cc1cccc(O)c1CN1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001234993038 806340835 /nfs/dbraw/zinc/34/08/35/806340835.db2.gz UJQXUAMOYNOADJ-OAHLLOKOSA-N 2 1 261.369 0.838 20 10 CCCDMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCCc2cc(O)c(O)cc2C1 ZINC001160925189 802047783 /nfs/dbraw/zinc/04/77/83/802047783.db2.gz VXTOBYPBLATZDX-NSHDSACASA-N 2 1 279.340 0.049 20 10 CCCDMP Cc1cc(C)c(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c(O)c1 ZINC001206530951 803261945 /nfs/dbraw/zinc/26/19/45/803261945.db2.gz XVHVSXNHKSPCOB-FZMZJTMJSA-N 2 1 250.342 0.760 20 10 CCCDMP COc1cc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)cc(O)c1O ZINC001205210097 897397733 /nfs/dbraw/zinc/39/77/33/897397733.db2.gz MODJWOYAXNJAMP-OAHLLOKOSA-N 2 1 296.367 0.782 20 10 CCCDMP [NH3+]C[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)C1CC1 ZINC000841028784 633210755 /nfs/dbraw/zinc/21/07/55/633210755.db2.gz RVZJZIXQJYJJKY-SNVBAGLBSA-N 2 1 250.298 0.948 20 10 CCCDMP Cc1ccc(O)c(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)c1 ZINC000071409441 638573795 /nfs/dbraw/zinc/57/37/95/638573795.db2.gz NUYOLJLTRIHSRN-UHFFFAOYSA-N 2 1 277.368 0.564 20 10 CCCDMP Cc1c(O)ccc(C[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)c1O ZINC001235061332 806364218 /nfs/dbraw/zinc/36/42/18/806364218.db2.gz KMHOGNBEKDLUKL-HNNXBMFYSA-N 2 1 277.368 0.544 20 10 CCCDMP Cc1c(O)ccc(C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)c1O ZINC001235061332 806364224 /nfs/dbraw/zinc/36/42/24/806364224.db2.gz KMHOGNBEKDLUKL-HNNXBMFYSA-N 2 1 277.368 0.544 20 10 CCCDMP [NH3+][C@]12CC[C@H]1C[N@H+](Cc1c(O)cc(O)cc1O)C2 ZINC001235990456 806522738 /nfs/dbraw/zinc/52/27/38/806522738.db2.gz NAAVSHRSPRFEBI-SDBXPKJASA-N 2 1 250.298 0.727 20 10 CCCDMP [NH3+][C@]12CC[C@H]1C[N@@H+](Cc1c(O)cc(O)cc1O)C2 ZINC001235990456 806522745 /nfs/dbraw/zinc/52/27/45/806522745.db2.gz NAAVSHRSPRFEBI-SDBXPKJASA-N 2 1 250.298 0.727 20 10 CCCDMP C[C@H]1C[N@@H+](Cc2c(O)cc(O)cc2O)C[C@H]1C[NH3+] ZINC001205146511 803120913 /nfs/dbraw/zinc/12/09/13/803120913.db2.gz YBZWNQMOPKPKFM-DTWKUNHWSA-N 2 1 252.314 0.830 20 10 CCCDMP C[N@@H+](Cc1ccccc1O)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246862595 807411705 /nfs/dbraw/zinc/41/17/05/807411705.db2.gz LOOZLRFOUAZGRJ-ZDUSSCGKSA-N 2 1 261.369 0.918 20 10 CCCDMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2cc(O)c(O)c(O)c2)CC1 ZINC001205239438 897707931 /nfs/dbraw/zinc/70/79/31/897707931.db2.gz BFIZMKCCGMUBGZ-CQSZACIVSA-N 2 1 282.340 0.479 20 10 CCCDMP COc1cc(C)c(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c(O)c1 ZINC001308665457 908425231 /nfs/dbraw/zinc/42/52/31/908425231.db2.gz LFAGQPKFINJSSA-HNNXBMFYSA-N 2 1 280.368 0.865 20 10 CCCDMP COc1cc(C)c(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c(O)c1 ZINC001308665457 908425235 /nfs/dbraw/zinc/42/52/35/908425235.db2.gz LFAGQPKFINJSSA-HNNXBMFYSA-N 2 1 280.368 0.865 20 10 CCCDMP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2CSC[NH2+]2)cc1 ZINC000841846208 616019763 /nfs/dbraw/zinc/01/97/63/616019763.db2.gz KYSPTIWRMUKPIX-CHWSQXEVSA-N 2 1 294.424 0.531 20 10 CCCDMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1cc(F)ccc1O ZINC000219929242 616088445 /nfs/dbraw/zinc/08/84/45/616088445.db2.gz SZUIAVCPYLMOPJ-UHFFFAOYSA-N 2 1 267.348 0.868 20 10 CCCDMP Cc1cccc(O)c1C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000877364030 646803660 /nfs/dbraw/zinc/80/36/60/646803660.db2.gz UUABMGANEFZEBR-CQSZACIVSA-N 2 1 250.342 0.857 20 10 CCCDMP Cc1cccc(O)c1C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000877364030 646803664 /nfs/dbraw/zinc/80/36/64/646803664.db2.gz UUABMGANEFZEBR-CQSZACIVSA-N 2 1 250.342 0.857 20 10 CCCDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001235027210 806346828 /nfs/dbraw/zinc/34/68/28/806346828.db2.gz XMXUGCPNMOFYIR-DOTOQJQBSA-N 3 1 286.423 0.890 20 10 CCCDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001235027210 806346836 /nfs/dbraw/zinc/34/68/36/806346836.db2.gz XMXUGCPNMOFYIR-DOTOQJQBSA-N 3 1 286.423 0.890 20 10 CCCDMP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001205197311 803125112 /nfs/dbraw/zinc/12/51/12/803125112.db2.gz KTGBDLIDPPMGPA-IUODEOHRSA-N 3 1 290.411 0.723 20 10 CCCDMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001205197311 803125119 /nfs/dbraw/zinc/12/51/19/803125119.db2.gz KTGBDLIDPPMGPA-IUODEOHRSA-N 3 1 290.411 0.723 20 10 CCCDMP CCOc1cccc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c1O ZINC001206464601 803247107 /nfs/dbraw/zinc/24/71/07/803247107.db2.gz QWUYJOWFJCJQDS-NWDGAFQWSA-N 2 1 266.341 0.542 20 10 CCCDMP [NH3+]C[C@@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)CCCO1 ZINC000841101241 642802944 /nfs/dbraw/zinc/80/29/44/642802944.db2.gz SYTRPAWKPYZCON-LLVKDONJSA-N 2 1 280.324 0.671 20 10 CCCDMP [NH3+]C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)CCCO1 ZINC000841101241 642802947 /nfs/dbraw/zinc/80/29/47/642802947.db2.gz SYTRPAWKPYZCON-LLVKDONJSA-N 2 1 280.324 0.671 20 10 CCCDMP Oc1ccc(F)cc1C[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000841085558 642803399 /nfs/dbraw/zinc/80/33/99/642803399.db2.gz HAKQJPANBZHWDP-LBPRGKRZSA-N 2 1 254.305 0.999 20 10 CCCDMP Cc1ccc(C[NH2+]CCC(=O)N2CC[NH+](C)CC2)c(O)c1 ZINC000877018582 646717865 /nfs/dbraw/zinc/71/78/65/646717865.db2.gz XYRXCCHERYKDTC-UHFFFAOYSA-N 2 1 291.395 0.954 20 10 CCCDMP CN(C)c1ccc(C[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)c(O)c1 ZINC001235064876 806368327 /nfs/dbraw/zinc/36/83/27/806368327.db2.gz YQBMENCXDPRJDL-INIZCTEOSA-N 2 1 290.411 0.596 20 10 CCCDMP CN(C)c1ccc(C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)c(O)c1 ZINC001235064876 806368336 /nfs/dbraw/zinc/36/83/36/806368336.db2.gz YQBMENCXDPRJDL-INIZCTEOSA-N 2 1 290.411 0.596 20 10 CCCDMP COc1ccc(O)c(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c1 ZINC001235992640 806523830 /nfs/dbraw/zinc/52/38/30/806523830.db2.gz KMVYDCQSCFKDNQ-ODOQXGPZSA-N 2 1 278.352 0.806 20 10 CCCDMP C[C@]1([NH3+])CC[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)C1 ZINC001204792599 803101369 /nfs/dbraw/zinc/10/13/69/803101369.db2.gz WPHMMRYKARJUNL-INIZCTEOSA-N 3 1 290.411 0.725 20 10 CCCDMP C[C@]1([NH3+])CC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)C1 ZINC001204792599 803101373 /nfs/dbraw/zinc/10/13/73/803101373.db2.gz WPHMMRYKARJUNL-INIZCTEOSA-N 3 1 290.411 0.725 20 10 CCCDMP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2cc(O)ccc2O)C1 ZINC001205681752 803155207 /nfs/dbraw/zinc/15/52/07/803155207.db2.gz NIABWEQCYRGJPO-AWEZNQCLSA-N 2 1 266.341 0.774 20 10 CCCDMP Fc1cc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)ccc1N1CCOCC1 ZINC001325318317 913339916 /nfs/dbraw/zinc/33/99/16/913339916.db2.gz DQKKQYBEDAARIU-VIKVFOODSA-N 2 1 291.370 0.970 20 10 CCCDMP CCOc1ccc(C[N@@H+](C)C[C@@H](O)C[NH3+])c(O)c1 ZINC000841091626 615510015 /nfs/dbraw/zinc/51/00/15/615510015.db2.gz CFFKXIRNOBQHOD-NSHDSACASA-N 2 1 254.330 0.542 20 10 CCCDMP [NH3+]C[C@H]1CC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000843048745 642980525 /nfs/dbraw/zinc/98/05/25/642980525.db2.gz VUEUFLVEIIMBQW-SECBINFHSA-N 2 1 250.298 0.902 20 10 CCCDMP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2O)C1 ZINC000843048256 642981702 /nfs/dbraw/zinc/98/17/02/642981702.db2.gz UXCZMOVLKDWPFM-LBPRGKRZSA-N 2 1 295.358 0.818 20 10 CCCDMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000843048256 642981707 /nfs/dbraw/zinc/98/17/07/642981707.db2.gz UXCZMOVLKDWPFM-LBPRGKRZSA-N 2 1 295.358 0.818 20 10 CCCDMP CC[NH+](CC)C[C@H](O)C[NH2+]Cc1ccc(O)cc1O ZINC001253207778 808031701 /nfs/dbraw/zinc/03/17/01/808031701.db2.gz JNCASBYWCFUHPJ-CYBMUJFWSA-N 2 1 268.357 0.890 20 10 CCCDMP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1cc(O)ccc1O ZINC001141161742 811825141 /nfs/dbraw/zinc/82/51/41/811825141.db2.gz WOGNBJNNVVKGEO-UHFFFAOYSA-N 2 1 279.384 0.777 20 10 CCCDMP C[N@H+](Cc1cc(Br)ccc1O)C[C@@H](O)C[NH3+] ZINC000841091974 616164273 /nfs/dbraw/zinc/16/42/73/616164273.db2.gz ITFLUIIUBIIQTH-JTQLQIEISA-N 2 1 289.173 0.906 20 10 CCCDMP COc1cccc(O)c1C[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000841087325 635477370 /nfs/dbraw/zinc/47/73/70/635477370.db2.gz UTMKBXSEPQXOQQ-NSHDSACASA-N 2 1 266.341 0.869 20 10 CCCDMP COc1cc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c(O)cc1O ZINC001235997124 806525357 /nfs/dbraw/zinc/52/53/57/806525357.db2.gz FQGHTKIPODCMBT-YWXMQNBFSA-N 2 1 294.351 0.512 20 10 CCCDMP Oc1c(F)cccc1C[NH2+]CCCN1CC[NH2+]CC1 ZINC000841028870 800065120 /nfs/dbraw/zinc/06/51/20/800065120.db2.gz JNLPSFKFEWNUTB-UHFFFAOYSA-N 2 1 267.348 0.916 20 10 CCCDMP COc1cccc(C[N@@H+](C)CCOCC[NH3+])c1O ZINC000699530207 816764474 /nfs/dbraw/zinc/76/44/74/816764474.db2.gz XZWKYHWMFAMEQM-UHFFFAOYSA-N 2 1 254.330 0.808 20 10 CCCDMP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2ccc(O)cc2O)C1 ZINC001205666070 846303502 /nfs/dbraw/zinc/30/35/02/846303502.db2.gz ZJRWDYCVAOVVLB-CQSZACIVSA-N 2 1 266.341 0.774 20 10 CCCDMP [NH3+][C@H](C[NH2+]Cc1cc2c(cc1O)OCO2)C1CC1 ZINC000841049271 633529219 /nfs/dbraw/zinc/52/92/19/633529219.db2.gz ISBTUHQAAKFPMX-SNVBAGLBSA-N 2 1 250.298 0.948 20 10 CCCDMP CCOc1ccc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)c(O)c1 ZINC001234987148 806329494 /nfs/dbraw/zinc/32/94/94/806329494.db2.gz DLIHYIHALYXPPJ-INIZCTEOSA-N 2 1 291.395 0.928 20 10 CCCDMP CN(C)c1ccc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)c(O)c1 ZINC001234991836 806338499 /nfs/dbraw/zinc/33/84/99/806338499.db2.gz QCYQGXVESXTPHI-MRXNPFEDSA-N 2 1 290.411 0.596 20 10 CCCDMP C[C@H]1C[N@@H+](Cc2cc3c(cc2O)OCC[NH2+]C3)C[C@H]1C[NH3+] ZINC001205150440 803122344 /nfs/dbraw/zinc/12/23/44/803122344.db2.gz BUUKESQZWUKBES-SMDDNHRTSA-N 3 1 291.395 0.901 20 10 CCCDMP CCc1ccc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c(O)c1 ZINC001206535797 803263037 /nfs/dbraw/zinc/26/30/37/803263037.db2.gz QWCQKYAYPOMEQJ-JSGCOSHPSA-N 2 1 250.342 0.706 20 10 CCCDMP COc1cccc(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)c1O ZINC001222086451 804866650 /nfs/dbraw/zinc/86/66/50/804866650.db2.gz YDWFUIRPYSQMOD-UHFFFAOYSA-N 2 1 291.395 0.928 20 10 CCCDMP Oc1cccc2c1C[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246866778 807414390 /nfs/dbraw/zinc/41/43/90/807414390.db2.gz DOFFRKXNPTUAEH-CYBMUJFWSA-N 2 1 273.380 0.844 20 10 CCCDMP Nc1ccc(CC(=O)NCC[NH+]2CCC([NH3+])CC2)cc1 ZINC001354770690 926162360 /nfs/dbraw/zinc/16/23/60/926162360.db2.gz APWNWOFGEJNQJE-UHFFFAOYSA-N 2 1 276.384 0.351 20 10 CCCDMP c1cc(N2CCOCC2)ccc1C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000841078543 642802405 /nfs/dbraw/zinc/80/24/05/642802405.db2.gz UNZCZGAUPIUOBW-ZSHCYNCHSA-N 2 1 273.380 0.831 20 10 CCCDMP COc1cc(N(C)C)ccc1C[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206474933 803250395 /nfs/dbraw/zinc/25/03/95/803250395.db2.gz KDBMOKILXGGJHR-GXTWGEPZSA-N 2 1 279.384 0.513 20 10 CCCDMP COc1cc(N(C)C)ccc1C[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206474933 803250403 /nfs/dbraw/zinc/25/04/03/803250403.db2.gz KDBMOKILXGGJHR-GXTWGEPZSA-N 2 1 279.384 0.513 20 10 CCCDMP CN(C)c1ccc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC000702636131 819154285 /nfs/dbraw/zinc/15/42/85/819154285.db2.gz LWCDOQKHNGBXSM-OAHLLOKOSA-N 2 1 263.385 0.909 20 10 CCCDMP CN(C)c1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC000702636131 819154288 /nfs/dbraw/zinc/15/42/88/819154288.db2.gz LWCDOQKHNGBXSM-OAHLLOKOSA-N 2 1 263.385 0.909 20 10 CCCDMP Oc1cc2c(cc1C[N@H+]1C[C@H]3C[NH2+]C[C@H]3C1)OCO2 ZINC000770395121 581741675 /nfs/dbraw/zinc/74/16/75/581741675.db2.gz PSYSKDOLJJEFPZ-PHIMTYICSA-N 2 1 262.309 0.772 20 10 CCCDMP Oc1cc2c(cc1C[N@@H+]1C[C@H]3C[NH2+]C[C@H]3C1)OCO2 ZINC000770395121 581741680 /nfs/dbraw/zinc/74/16/80/581741680.db2.gz PSYSKDOLJJEFPZ-PHIMTYICSA-N 2 1 262.309 0.772 20 10 CCCDMP C[N@@H+](CCOCC[NH3+])Cc1cc2c(cc1O)OCO2 ZINC000863650151 616115989 /nfs/dbraw/zinc/11/59/89/616115989.db2.gz OYTNGXRPWSSJOO-UHFFFAOYSA-N 2 1 268.313 0.528 20 10 CCCDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C[C@H](O)C[NH3+] ZINC000841092162 616247119 /nfs/dbraw/zinc/24/71/19/616247119.db2.gz KNKXNAQEKMIPMZ-MRXNPFEDSA-N 3 1 292.427 0.190 20 10 CCCDMP CN(Cc1ccc(N2CC[NH+](C)CC2)cc1)C[C@H](O)C[NH3+] ZINC000841092162 616247120 /nfs/dbraw/zinc/24/71/20/616247120.db2.gz KNKXNAQEKMIPMZ-MRXNPFEDSA-N 2 1 292.427 0.190 20 10 CCCDMP Oc1c(F)cccc1C[NH2+]CCN1CC[NH2+]CC1 ZINC000083396134 638797594 /nfs/dbraw/zinc/79/75/94/638797594.db2.gz QRFSAHSLOCMPKU-UHFFFAOYSA-N 2 1 253.321 0.526 20 10 CCCDMP Cc1ccc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)c(O)c1 ZINC001234986338 806329670 /nfs/dbraw/zinc/32/96/70/806329670.db2.gz JVJOMRLVPDINBS-HNNXBMFYSA-N 2 1 261.369 0.838 20 10 CCCDMP Oc1cc(O)c(CN2CC[NH2+]C[C@]23CC[NH2+]C3)cc1Cl ZINC001234991122 806338469 /nfs/dbraw/zinc/33/84/69/806338469.db2.gz WMTMOBKHXMPHKA-CQSZACIVSA-N 2 1 297.786 0.889 20 10 CCCDMP COc1ccc(C[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)c(O)c1 ZINC001235051288 806352932 /nfs/dbraw/zinc/35/29/32/806352932.db2.gz IBVVAYODYXHZFS-HNNXBMFYSA-N 2 1 277.368 0.538 20 10 CCCDMP COc1ccc(C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)c(O)c1 ZINC001235051288 806352941 /nfs/dbraw/zinc/35/29/41/806352941.db2.gz IBVVAYODYXHZFS-HNNXBMFYSA-N 2 1 277.368 0.538 20 10 CCCDMP COc1cccc(C[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)c1O ZINC001235052296 806354632 /nfs/dbraw/zinc/35/46/32/806354632.db2.gz OLTSJKSRUQMMJU-HNNXBMFYSA-N 2 1 277.368 0.538 20 10 CCCDMP COc1cccc(C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)c1O ZINC001235052296 806354641 /nfs/dbraw/zinc/35/46/41/806354641.db2.gz OLTSJKSRUQMMJU-HNNXBMFYSA-N 2 1 277.368 0.538 20 10 CCCDMP C[N@@H+]1CCc2c(N(CC[NH3+])CCO)ccc([N+](=O)[O-])c2C1 ZINC001163835915 802621994 /nfs/dbraw/zinc/62/19/94/802621994.db2.gz IIGZEPNUBYFNGJ-UHFFFAOYSA-N 2 1 294.355 0.340 20 10 CCCDMP C[N@H+]1CCc2c(N(CC[NH3+])CCO)ccc([N+](=O)[O-])c2C1 ZINC001163835915 802621996 /nfs/dbraw/zinc/62/19/96/802621996.db2.gz IIGZEPNUBYFNGJ-UHFFFAOYSA-N 2 1 294.355 0.340 20 10 CCCDMP CCN(CC)c1ccc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c(O)c1 ZINC001206476111 803250379 /nfs/dbraw/zinc/25/03/79/803250379.db2.gz RJCFBYLKVLWODK-XJKSGUPXSA-N 2 1 293.411 0.990 20 10 CCCDMP COc1cc(O)c(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c(OC)c1 ZINC001206525148 803260051 /nfs/dbraw/zinc/26/00/51/803260051.db2.gz IBTJVOJOUXGBOU-ZANVPECISA-N 2 1 282.340 0.161 20 10 CCCDMP COc1cc(O)c(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c(OC)c1 ZINC001206525148 803260058 /nfs/dbraw/zinc/26/00/58/803260058.db2.gz IBTJVOJOUXGBOU-ZANVPECISA-N 2 1 282.340 0.161 20 10 CCCDMP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H](O)CO)cc2F)CC1 ZINC001256279815 808487152 /nfs/dbraw/zinc/48/71/52/808487152.db2.gz QGELZYUWWYRQTN-CYBMUJFWSA-N 2 1 297.374 0.020 20 10 CCCDMP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001205687959 846464646 /nfs/dbraw/zinc/46/46/46/846464646.db2.gz CAMZLGHKDGCRDS-CQSZACIVSA-N 2 1 282.340 0.479 20 10 CCCDMP COc1cc(Cl)cc(C[N@H+](C)C[C@@H](O)C[NH3+])c1O ZINC000841092994 617196178 /nfs/dbraw/zinc/19/61/78/617196178.db2.gz PKPATQJAYUSTFE-JTQLQIEISA-N 2 1 274.748 0.806 20 10 CCCDMP COc1cc(Cl)cc(C[N@@H+](C)C[C@@H](O)C[NH3+])c1O ZINC000841092994 617196179 /nfs/dbraw/zinc/19/61/79/617196179.db2.gz PKPATQJAYUSTFE-JTQLQIEISA-N 2 1 274.748 0.806 20 10 CCCDMP C[NH2+]CCOCC[N@@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000863648082 616965094 /nfs/dbraw/zinc/96/50/94/616965094.db2.gz ISNDFUKXNBFVPZ-UHFFFAOYSA-N 2 1 282.340 0.789 20 10 CCCDMP COc1cc(C[N@@H+](C)C[C@H](O)CO)cc(C[NH+](C)C)c1O ZINC001139255191 799800709 /nfs/dbraw/zinc/80/07/09/799800709.db2.gz NPYNMBWREGSPJS-ZDUSSCGKSA-N 2 1 298.383 0.247 20 10 CCCDMP COc1ccc(O)c(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c1 ZINC001206464843 803247285 /nfs/dbraw/zinc/24/72/85/803247285.db2.gz ULKBSMPSCDXLGZ-GXFFZTMASA-N 2 1 252.314 0.152 20 10 CCCDMP CN1CCOc2cc(C[N@@H+]3C[C@@H](O)[C@@H](C[NH3+])C3)ccc21 ZINC001206475373 803250416 /nfs/dbraw/zinc/25/04/16/803250416.db2.gz NNBOMMPNTNFKQO-GXTWGEPZSA-N 2 1 277.368 0.267 20 10 CCCDMP CN1CCOc2cc(C[N@H+]3C[C@@H](O)[C@@H](C[NH3+])C3)ccc21 ZINC001206475373 803250418 /nfs/dbraw/zinc/25/04/18/803250418.db2.gz NNBOMMPNTNFKQO-GXTWGEPZSA-N 2 1 277.368 0.267 20 10 CCCDMP COc1cc(O)c(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1OC ZINC000762791279 581961884 /nfs/dbraw/zinc/96/18/84/581961884.db2.gz NHIZWMFQNBBDNA-OAHLLOKOSA-N 2 1 296.367 0.566 20 10 CCCDMP COc1cc(O)c(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1OC ZINC000762791279 581961886 /nfs/dbraw/zinc/96/18/86/581961886.db2.gz NHIZWMFQNBBDNA-OAHLLOKOSA-N 2 1 296.367 0.566 20 10 CCCDMP COc1cccc(O)c1C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000843052901 617304896 /nfs/dbraw/zinc/30/48/96/617304896.db2.gz OKKHDSVXALVFPO-UHFFFAOYSA-N 2 1 279.384 0.738 20 10 CCCDMP Cc1cc(F)cc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)c1O ZINC001234995598 806340136 /nfs/dbraw/zinc/34/01/36/806340136.db2.gz XQHGGLVYYKWLOC-HNNXBMFYSA-N 2 1 279.359 0.977 20 10 CCCDMP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2cc(F)ccc2O)C1 ZINC000702594067 819148113 /nfs/dbraw/zinc/14/81/13/819148113.db2.gz SLIZZDZBANUHDN-ZDUSSCGKSA-N 2 1 254.305 0.688 20 10 CCCDMP C[N@H+]1CC[C@](O)(C[NH2+]Cc2cc(F)ccc2O)C1 ZINC000702594067 819148120 /nfs/dbraw/zinc/14/81/20/819148120.db2.gz SLIZZDZBANUHDN-ZDUSSCGKSA-N 2 1 254.305 0.688 20 10 CCCDMP Nc1ccc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC001356083125 926342429 /nfs/dbraw/zinc/34/24/29/926342429.db2.gz KVHBSCINXNUUNX-HNNXBMFYSA-N 2 1 260.385 0.748 20 10 CCCDMP COc1cccc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)c1O ZINC000038030909 174023437 /nfs/dbraw/zinc/02/34/37/174023437.db2.gz FHXAIQYPTWODRW-UHFFFAOYSA-N 2 1 293.367 0.264 20 10 CCCDMP COc1cccc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)c1O ZINC000038030909 174023439 /nfs/dbraw/zinc/02/34/39/174023439.db2.gz FHXAIQYPTWODRW-UHFFFAOYSA-N 2 1 293.367 0.264 20 10 CCCDMP CN(C)c1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c(O)c1 ZINC001205967671 803193075 /nfs/dbraw/zinc/19/30/75/803193075.db2.gz VDCJUBAMSODYGL-TZMCWYRMSA-N 2 1 265.357 0.352 20 10 CCCDMP COc1cc(Cl)cc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c1O ZINC001206530900 803261742 /nfs/dbraw/zinc/26/17/42/803261742.db2.gz VKONLIFAIJFRJU-ONGXEEELSA-N 2 1 286.759 0.806 20 10 CCCDMP COc1cc(Cl)cc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c1O ZINC001206530900 803261749 /nfs/dbraw/zinc/26/17/49/803261749.db2.gz VKONLIFAIJFRJU-ONGXEEELSA-N 2 1 286.759 0.806 20 10 CCCDMP COc1cc(C)c(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c(O)c1 ZINC001206534736 803262819 /nfs/dbraw/zinc/26/28/19/803262819.db2.gz BHBQDVXTFVAOPC-HZMBPMFUSA-N 2 1 266.341 0.461 20 10 CCCDMP C[NH+](C)CCN1CCC12C[NH+](Cc1ccc(O)cc1O)C2 ZINC001275953230 848872593 /nfs/dbraw/zinc/87/25/93/848872593.db2.gz UZIYWSKJWIGPHP-UHFFFAOYSA-N 2 1 291.395 0.920 20 10 CCCDMP C[NH+]1CCN(c2ccc(C[NH2+]CCCON)cc2F)CC1 ZINC001336285088 920702046 /nfs/dbraw/zinc/70/20/46/920702046.db2.gz HWDXVYIVYBPZQN-UHFFFAOYSA-N 2 1 296.390 0.948 20 10 CCCDMP Oc1cccc(F)c1CN1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001234982949 806325309 /nfs/dbraw/zinc/32/53/09/806325309.db2.gz RZXXRUNVFQVJMS-CQSZACIVSA-N 2 1 265.332 0.669 20 10 CCCDMP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1ccc(O)c(O)c1 ZINC001203879970 803051162 /nfs/dbraw/zinc/05/11/62/803051162.db2.gz KZUOZVIILKCEQX-UHFFFAOYSA-N 2 1 279.384 0.777 20 10 CCCDMP CN1CCCc2cc(C[N@H+]3C[C@@H](O)[C@@H](C[NH3+])C3)ccc21 ZINC001206467993 803246825 /nfs/dbraw/zinc/24/68/25/803246825.db2.gz FLODVWKJHYDYTL-GOEBONIOSA-N 2 1 275.396 0.820 20 10 CCCDMP COc1cc(O)c(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cc1OC ZINC001206480969 843722665 /nfs/dbraw/zinc/72/26/65/843722665.db2.gz NFRCNMCIUGDNQQ-CMPLNLGQSA-N 2 1 282.340 0.161 20 10 CCCDMP COc1cc(O)c(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cc1OC ZINC001206480969 843722672 /nfs/dbraw/zinc/72/26/72/843722672.db2.gz NFRCNMCIUGDNQQ-CMPLNLGQSA-N 2 1 282.340 0.161 20 10 CCCDMP C[N@H+](CC(N)=O)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775648709 582032608 /nfs/dbraw/zinc/03/26/08/582032608.db2.gz ILCYAVKCZBXTII-UHFFFAOYSA-N 2 1 276.384 0.356 20 10 CCCDMP C[N@@H+](CC(N)=O)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775648709 582032611 /nfs/dbraw/zinc/03/26/11/582032611.db2.gz ILCYAVKCZBXTII-UHFFFAOYSA-N 2 1 276.384 0.356 20 10 CCCDMP C[N@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H](O)C[NH3+] ZINC000923366318 616167105 /nfs/dbraw/zinc/16/71/05/616167105.db2.gz LCKXNIRDJHJVGX-OAHLLOKOSA-N 2 1 279.384 0.275 20 10 CCCDMP COc1ccc(O)c(C[N@@H+]2CCCO[C@H](C[NH3+])C2)c1 ZINC000313349027 625770562 /nfs/dbraw/zinc/77/05/62/625770562.db2.gz UQWSMJBTAFMSFQ-CYBMUJFWSA-N 2 1 266.341 0.950 20 10 CCCDMP COc1ccc(O)c(C[N@H+]2CCCO[C@H](C[NH3+])C2)c1 ZINC000313349027 625770571 /nfs/dbraw/zinc/77/05/71/625770571.db2.gz UQWSMJBTAFMSFQ-CYBMUJFWSA-N 2 1 266.341 0.950 20 10 CCCDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C[C@@H](O)C[NH3+] ZINC000841092160 616247088 /nfs/dbraw/zinc/24/70/88/616247088.db2.gz KNKXNAQEKMIPMZ-INIZCTEOSA-N 3 1 292.427 0.190 20 10 CCCDMP CN(Cc1ccc(N2CC[NH+](C)CC2)cc1)C[C@@H](O)C[NH3+] ZINC000841092160 616247089 /nfs/dbraw/zinc/24/70/89/616247089.db2.gz KNKXNAQEKMIPMZ-INIZCTEOSA-N 2 1 292.427 0.190 20 10 CCCDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001234977838 806320743 /nfs/dbraw/zinc/32/07/43/806320743.db2.gz BUKZCZKZOLMZCE-IYBDPMFKSA-N 3 1 286.423 0.747 20 10 CCCDMP c1cc(N2CC[NH2+]CC2)ccc1CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001234977838 806320752 /nfs/dbraw/zinc/32/07/52/806320752.db2.gz BUKZCZKZOLMZCE-IYBDPMFKSA-N 2 1 286.423 0.747 20 10 CCCDMP Oc1ccc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)c(O)c1 ZINC001234980088 806323055 /nfs/dbraw/zinc/32/30/55/806323055.db2.gz FPTDAVKMRNYZAM-AWEZNQCLSA-N 2 1 263.341 0.235 20 10 CCCDMP COc1cccc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c1O ZINC001206512838 803256215 /nfs/dbraw/zinc/25/62/15/803256215.db2.gz UUIYHTOIYZUMKP-QWRGUYRKSA-N 2 1 252.314 0.152 20 10 CCCDMP Oc1cc(CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)cc(O)c1O ZINC001222507585 804909092 /nfs/dbraw/zinc/90/90/92/804909092.db2.gz ZPLKOJKKNKRTNX-RYUDHWBXSA-N 2 1 293.367 0.329 20 10 CCCDMP CCOc1cccc(C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c1O ZINC001235052903 806355408 /nfs/dbraw/zinc/35/54/08/806355408.db2.gz RFUUNWXYTYFLSA-MRXNPFEDSA-N 2 1 291.395 0.928 20 10 CCCDMP CCOc1cccc(C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c1O ZINC001235052903 806355418 /nfs/dbraw/zinc/35/54/18/806355418.db2.gz RFUUNWXYTYFLSA-MRXNPFEDSA-N 2 1 291.395 0.928 20 10 CCCDMP COc1cc(C)c(C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c(O)c1 ZINC001235061693 806363826 /nfs/dbraw/zinc/36/38/26/806363826.db2.gz NBMQAQCCZFBBLJ-MRXNPFEDSA-N 2 1 291.395 0.847 20 10 CCCDMP COc1cc(C)c(C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c(O)c1 ZINC001235061693 806363835 /nfs/dbraw/zinc/36/38/35/806363835.db2.gz NBMQAQCCZFBBLJ-MRXNPFEDSA-N 2 1 291.395 0.847 20 10 CCCDMP [NH3+][C@@]12CC[C@H]1C[N@H+](Cc1c(O)cc(O)cc1O)C2 ZINC001235990451 806523132 /nfs/dbraw/zinc/52/31/32/806523132.db2.gz NAAVSHRSPRFEBI-ISVAXAHUSA-N 2 1 250.298 0.727 20 10 CCCDMP [NH3+][C@@]12CC[C@H]1C[N@@H+](Cc1c(O)cc(O)cc1O)C2 ZINC001235990451 806523139 /nfs/dbraw/zinc/52/31/39/806523139.db2.gz NAAVSHRSPRFEBI-ISVAXAHUSA-N 2 1 250.298 0.727 20 10 CCCDMP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2cc(O)ccc2O)C1 ZINC001205681754 803155125 /nfs/dbraw/zinc/15/51/25/803155125.db2.gz NIABWEQCYRGJPO-CQSZACIVSA-N 2 1 266.341 0.774 20 10 CCCDMP Cc1cc(C)c(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c(O)c1 ZINC001206476907 803250660 /nfs/dbraw/zinc/25/06/60/803250660.db2.gz XVHVSXNHKSPCOB-SMDDNHRTSA-N 2 1 250.342 0.760 20 10 CCCDMP [NH3+]C[C@H]1CN(Cc2c([O-])ccc(F)c2F)C[C@@H]1O ZINC001206530370 843868922 /nfs/dbraw/zinc/86/89/22/843868922.db2.gz GZNRYWGOCFOQIS-CPCISQLKSA-N 2 1 258.268 0.422 20 10 CCCDMP CCOc1ccc(O)c(C[N@@H+](C)C[C@H](O)C[NH3+])c1 ZINC000841091769 615511982 /nfs/dbraw/zinc/51/19/82/615511982.db2.gz FVIUBPMLTMRCSP-LLVKDONJSA-N 2 1 254.330 0.542 20 10 CCCDMP COc1c(O)c(C[N@@H+](C)CCOCC[NH3+])ccc1[N+](=O)[O-] ZINC000863650926 617149099 /nfs/dbraw/zinc/14/90/99/617149099.db2.gz FEVKZWKMFINTIW-UHFFFAOYSA-N 2 1 299.327 0.716 20 10 CCCDMP Cc1cc(O)c(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)cc1C ZINC000843047639 642980618 /nfs/dbraw/zinc/98/06/18/642980618.db2.gz ZDPXEXSUSFNLBQ-UHFFFAOYSA-N 2 1 291.395 0.873 20 10 CCCDMP Cc1cccc(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1O ZINC000843047953 642981389 /nfs/dbraw/zinc/98/13/89/642981389.db2.gz DERMXAIZXPHNCR-AWEZNQCLSA-N 2 1 291.395 0.988 20 10 CCCDMP COc1cc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)cc(O)c1O ZINC001234983449 806329242 /nfs/dbraw/zinc/32/92/42/806329242.db2.gz VVXNZBQBFGDPBV-OAHLLOKOSA-N 2 1 293.367 0.244 20 10 CCCDMP COc1cc(C[N@@H+](C)CCO)cc(C[NH+](C)C)c1O ZINC001236255961 806557807 /nfs/dbraw/zinc/55/78/07/806557807.db2.gz UNJNUJYCGMQQQT-UHFFFAOYSA-N 2 1 268.357 0.887 20 10 CCCDMP COc1ccc(O)c(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c1 ZINC001206512817 803257140 /nfs/dbraw/zinc/25/71/40/803257140.db2.gz ULKBSMPSCDXLGZ-GWCFXTLKSA-N 2 1 252.314 0.152 20 10 CCCDMP C[NH+]1CCC([NH2+]C[C@H](O)c2ccc(O)c(O)c2)CC1 ZINC001256193026 808475405 /nfs/dbraw/zinc/47/54/05/808475405.db2.gz HBIVPWHKIUCVQQ-AWEZNQCLSA-N 2 1 266.341 0.815 20 10 CCCDMP COc1cccc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c1O ZINC000702641498 819159782 /nfs/dbraw/zinc/15/97/82/819159782.db2.gz NPQNZCWIORPGSC-AWEZNQCLSA-N 2 1 266.341 0.557 20 10 CCCDMP COc1cccc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c1O ZINC000702641498 819159785 /nfs/dbraw/zinc/15/97/85/819159785.db2.gz NPQNZCWIORPGSC-AWEZNQCLSA-N 2 1 266.341 0.557 20 10 CCCDMP Cc1ccc(O)c(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c1 ZINC000705443237 819507524 /nfs/dbraw/zinc/50/75/24/819507524.db2.gz JSORYMPQELKSFV-CQSZACIVSA-N 2 1 250.342 0.857 20 10 CCCDMP Cc1ccc(O)c(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)c1 ZINC000705443237 819507530 /nfs/dbraw/zinc/50/75/30/819507530.db2.gz JSORYMPQELKSFV-CQSZACIVSA-N 2 1 250.342 0.857 20 10 CCCDMP Cc1c(O)ccc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c1O ZINC001206474574 843658203 /nfs/dbraw/zinc/65/82/03/843658203.db2.gz FQXDTPUWJUVNRI-CMPLNLGQSA-N 2 1 252.314 0.158 20 10 CCCDMP CCOc1cccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c1O ZINC001205946069 847897694 /nfs/dbraw/zinc/89/76/94/847897694.db2.gz HZKBVPXVMHMNRH-VXGBXAGGSA-N 2 1 266.341 0.685 20 10 CCCDMP CCOc1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c1O ZINC001205946069 847897700 /nfs/dbraw/zinc/89/77/00/847897700.db2.gz HZKBVPXVMHMNRH-VXGBXAGGSA-N 2 1 266.341 0.685 20 10 CCCDMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+]2Cc1ccc(O)cc1O ZINC001275952301 848872666 /nfs/dbraw/zinc/87/26/66/848872666.db2.gz CGGNLWSRLQZSAA-OKILXGFUSA-N 2 1 291.395 0.918 20 10 CCCDMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+]2Cc1ccc(O)cc1O ZINC001275952301 848872672 /nfs/dbraw/zinc/87/26/72/848872672.db2.gz CGGNLWSRLQZSAA-OKILXGFUSA-N 2 1 291.395 0.918 20 10 CCCDMP Nc1ccc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC001356083126 926342819 /nfs/dbraw/zinc/34/28/19/926342819.db2.gz KVHBSCINXNUUNX-OAHLLOKOSA-N 2 1 260.385 0.748 20 10 CCCDMP CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC000844219184 616014906 /nfs/dbraw/zinc/01/49/06/616014906.db2.gz HCGIDNFQIHBQBB-CQSZACIVSA-N 2 1 290.411 0.649 20 10 CCCDMP CN(C)c1ccc(CNC(=O)C[N@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC000844219184 616014908 /nfs/dbraw/zinc/01/49/08/616014908.db2.gz HCGIDNFQIHBQBB-CQSZACIVSA-N 2 1 290.411 0.649 20 10 CCCDMP Cc1cc(F)cc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)c1O ZINC001234995599 806340703 /nfs/dbraw/zinc/34/07/03/806340703.db2.gz XQHGGLVYYKWLOC-OAHLLOKOSA-N 2 1 279.359 0.977 20 10 CCCDMP [NH3+]C[C@H]1C[N@H+](Cc2c(O)cccc2Cl)C[C@H]1O ZINC001206468473 803248013 /nfs/dbraw/zinc/24/80/13/803248013.db2.gz ISQXOHLVKNGVFC-QPUJVOFHSA-N 2 1 256.733 0.797 20 10 CCCDMP [NH3+]C[C@H]1C[N@@H+](Cc2c(O)cccc2Cl)C[C@H]1O ZINC001206468473 803248018 /nfs/dbraw/zinc/24/80/18/803248018.db2.gz ISQXOHLVKNGVFC-QPUJVOFHSA-N 2 1 256.733 0.797 20 10 CCCDMP [NH3+]C[C@H]1C[N@H+](Cc2c(O)cccc2Cl)C[C@@H]1O ZINC001206525160 803259896 /nfs/dbraw/zinc/25/98/96/803259896.db2.gz ISQXOHLVKNGVFC-UFBFGSQYSA-N 2 1 256.733 0.797 20 10 CCCDMP [NH3+]C[C@H]1C[N@@H+](Cc2c(O)cccc2Cl)C[C@@H]1O ZINC001206525160 803259898 /nfs/dbraw/zinc/25/98/98/803259898.db2.gz ISQXOHLVKNGVFC-UFBFGSQYSA-N 2 1 256.733 0.797 20 10 CCCDMP COc1cc(O)c(C[NH2+]CC2([NH3+])CC2)cc1OC ZINC000904448602 617207683 /nfs/dbraw/zinc/20/76/83/617207683.db2.gz CGRQIMSFURFJFW-UHFFFAOYSA-N 2 1 252.314 0.990 20 10 CCCDMP COc1c(O)c(C[NH2+]C[C@H](C)C[NH3+])ccc1[N+](=O)[O-] ZINC000841049656 617149303 /nfs/dbraw/zinc/14/93/03/617149303.db2.gz UYFPCHWKRNSVJP-MRVPVSSYSA-N 2 1 269.301 0.993 20 10 CCCDMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000063178491 637206203 /nfs/dbraw/zinc/20/62/03/637206203.db2.gz VMGHVVCNWUASBA-CYBMUJFWSA-N 2 1 277.368 0.679 20 10 CCCDMP Oc1cc2c(cc1C[NH2+]C[C@H]1C[NH2+]CCCO1)OCO2 ZINC000841087662 642803050 /nfs/dbraw/zinc/80/30/50/642803050.db2.gz UZIOJVGCOYSNLY-LLVKDONJSA-N 2 1 280.324 0.589 20 10 CCCDMP COc1cc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)c(O)cc1O ZINC001234986116 806329785 /nfs/dbraw/zinc/32/97/85/806329785.db2.gz AKWREIADSHCTQC-HNNXBMFYSA-N 2 1 293.367 0.244 20 10 CCCDMP Cc1ccc(C[NH+]2CCNCC[NH2+]CCNCC2)c(O)c1 ZINC001235870754 806512018 /nfs/dbraw/zinc/51/20/18/806512018.db2.gz PHNYSGQXXDBUBU-UHFFFAOYSA-N 2 1 292.427 0.285 20 10 CCCDMP COc1cc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c(O)c(OC)c1 ZINC001206536033 803262294 /nfs/dbraw/zinc/26/22/94/803262294.db2.gz WIYAUCCCVBWNFF-JQWIXIFHSA-N 2 1 282.340 0.161 20 10 CCCDMP COc1cc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c(O)c(OC)c1 ZINC001206536033 803262298 /nfs/dbraw/zinc/26/22/98/803262298.db2.gz WIYAUCCCVBWNFF-JQWIXIFHSA-N 2 1 282.340 0.161 20 10 CCCDMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2cc(O)c(O)c(O)c2)CC1 ZINC001205239437 897708000 /nfs/dbraw/zinc/70/80/00/897708000.db2.gz BFIZMKCCGMUBGZ-AWEZNQCLSA-N 2 1 282.340 0.479 20 10 CCCDMP COc1cc(O)c(C[N@@H+](C)CCOCC[NH3+])cc1OC ZINC000863651883 617207464 /nfs/dbraw/zinc/20/74/64/617207464.db2.gz OQPUCNJRYBFODK-UHFFFAOYSA-N 2 1 284.356 0.817 20 10 CCCDMP COc1ccc(O)c(C[NH2+]C[C@H]2C[NH2+]CCCO2)c1 ZINC000841086414 617273243 /nfs/dbraw/zinc/27/32/43/617273243.db2.gz NLUGJMUEWKCNMI-CYBMUJFWSA-N 2 1 266.341 0.869 20 10 CCCDMP Oc1ccc(F)cc1CN1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001234985851 806328682 /nfs/dbraw/zinc/32/86/82/806328682.db2.gz GIVGXXPFEPVKIT-CQSZACIVSA-N 2 1 265.332 0.669 20 10 CCCDMP CN(C)c1ccc(C[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)cc1 ZINC001235051768 806352376 /nfs/dbraw/zinc/35/23/76/806352376.db2.gz LLVMEVSCVDMKRP-INIZCTEOSA-N 2 1 274.412 0.890 20 10 CCCDMP CN(C)c1ccc(C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)cc1 ZINC001235051768 806352384 /nfs/dbraw/zinc/35/23/84/806352384.db2.gz LLVMEVSCVDMKRP-INIZCTEOSA-N 2 1 274.412 0.890 20 10 CCCDMP CCOc1ccc(C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c(O)c1 ZINC001235064271 806366045 /nfs/dbraw/zinc/36/60/45/806366045.db2.gz WOEYJJILPWZPFP-MRXNPFEDSA-N 2 1 291.395 0.928 20 10 CCCDMP CCOc1ccc(C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c(O)c1 ZINC001235064271 806366052 /nfs/dbraw/zinc/36/60/52/806366052.db2.gz WOEYJJILPWZPFP-MRXNPFEDSA-N 2 1 291.395 0.928 20 10 CCCDMP COC(=O)Cc1ccc(C[N@@H+]2CCC[NH2+]CC2)c(O)c1 ZINC001204691298 803097221 /nfs/dbraw/zinc/09/72/21/803097221.db2.gz ABODPDAGBTUWQA-UHFFFAOYSA-N 2 1 278.352 0.903 20 10 CCCDMP COC(=O)Cc1ccc(C[N@H+]2CCC[NH2+]CC2)c(O)c1 ZINC001204691298 803097227 /nfs/dbraw/zinc/09/72/27/803097227.db2.gz ABODPDAGBTUWQA-UHFFFAOYSA-N 2 1 278.352 0.903 20 10 CCCDMP Cc1cc(F)cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c1O ZINC001205973558 803194927 /nfs/dbraw/zinc/19/49/27/803194927.db2.gz YWUNXHSDLCFALB-VXGBXAGGSA-N 2 1 254.305 0.734 20 10 CCCDMP Cc1cc(F)cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c1O ZINC001205973558 803194932 /nfs/dbraw/zinc/19/49/32/803194932.db2.gz YWUNXHSDLCFALB-VXGBXAGGSA-N 2 1 254.305 0.734 20 10 CCCDMP Oc1cccc2c1C[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246866779 807415050 /nfs/dbraw/zinc/41/50/50/807415050.db2.gz DOFFRKXNPTUAEH-ZDUSSCGKSA-N 2 1 273.380 0.844 20 10 CCCDMP