smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N@H+]1CCC[C@](C)(C(=O)NCCCn2cnnc2)C1 ZINC000095355968 349601906 /nfs/dbraw/zinc/60/19/06/349601906.db2.gz OXLWJCSYRBHALQ-AWEZNQCLSA-N 1 1 279.388 0.906 50 0 CCAAMO CC(=O)NCCNC(=O)[C@H](c1ccccc1C)[NH+](C)C ZINC000095356110 349602111 /nfs/dbraw/zinc/60/21/11/349602111.db2.gz YGCNVLSBBNJWCA-AWEZNQCLSA-N 1 1 277.368 0.850 50 0 CCAAMO CC(C)[NH+]1CCC(CC(=O)NCc2nn[nH]n2)CC1 ZINC000095383759 349606078 /nfs/dbraw/zinc/60/60/78/349606078.db2.gz NOKKGWCXNPIMIS-UHFFFAOYSA-N 1 1 266.349 0.326 50 0 CCAAMO O=S(=O)(NC1CC1)[C@H]1CC[N@@H+](CCc2ccncc2)C1 ZINC000095433936 349611231 /nfs/dbraw/zinc/61/12/31/349611231.db2.gz VQRGBOOKXSICSP-AWEZNQCLSA-N 1 1 295.408 0.780 50 0 CCAAMO O=S(=O)(NC1CC1)[C@@H]1CC[N@@H+](CCc2ccncc2)C1 ZINC000095433937 349611269 /nfs/dbraw/zinc/61/12/69/349611269.db2.gz VQRGBOOKXSICSP-CQSZACIVSA-N 1 1 295.408 0.780 50 0 CCAAMO Cc1cccc(NC[C@@](C)(O)CN2CCOCC2)[nH+]1 ZINC000097163327 349631106 /nfs/dbraw/zinc/63/11/06/349631106.db2.gz XFWFVJSKSRXALO-CQSZACIVSA-N 1 1 265.357 0.885 50 0 CCAAMO Cc1cccc(NC[C@@H]2CC[N@@H+](CCC(N)=O)C2)n1 ZINC000097203965 349633650 /nfs/dbraw/zinc/63/36/50/349633650.db2.gz PLOZMDFDWXGRRR-LBPRGKRZSA-N 1 1 262.357 0.999 50 0 CCAAMO CN(C(=O)c1nn(C)cc1Cl)[C@@H]1CC[N@@H+](C)C1 ZINC000097323863 349637986 /nfs/dbraw/zinc/63/79/86/349637986.db2.gz NLQHHBNEXUHTGC-MRVPVSSYSA-N 1 1 256.737 0.850 50 0 CCAAMO COCC[N@H+]1C[C@@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 ZINC000107354848 349737272 /nfs/dbraw/zinc/73/72/72/349737272.db2.gz MSQOQGLPKDXZQD-TZMCWYRMSA-N 1 1 269.389 0.117 50 0 CCAAMO CS(=O)(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000001602966 136393278 /nfs/dbraw/zinc/39/32/78/136393278.db2.gz GYWSNRKRXLOWBV-UHFFFAOYSA-N 1 1 297.424 0.748 50 0 CCAAMO C[NH+]1CCN([C@@H]2CC(=O)N(c3ccccc3F)C2=O)CC1 ZINC000019771169 348069304 /nfs/dbraw/zinc/06/93/04/348069304.db2.gz CPCPOWFFVADGEB-CYBMUJFWSA-N 1 1 291.326 0.705 50 0 CCAAMO CCc1nnc2ccc(NCCC[NH+]3CCOCC3)nn21 ZINC000031809378 348127860 /nfs/dbraw/zinc/12/78/60/348127860.db2.gz LMOFGZNPSIKVOM-UHFFFAOYSA-N 1 1 290.371 0.821 50 0 CCAAMO C[N@@H+](CCCOc1ccccc1)CC(=O)NC(N)=O ZINC000029852375 348116172 /nfs/dbraw/zinc/11/61/72/348116172.db2.gz VFFVADTTYGXVKM-UHFFFAOYSA-N 1 1 265.313 0.582 50 0 CCAAMO O=C(NCC[NH+]1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000036391923 348166929 /nfs/dbraw/zinc/16/69/29/348166929.db2.gz VMOXQENCTHFILY-LLVKDONJSA-N 1 1 274.386 0.023 50 0 CCAAMO O[C@@H](Cn1cccn1)C[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000044975377 348330991 /nfs/dbraw/zinc/33/09/91/348330991.db2.gz XUNKLHDRCDVAOZ-GXTWGEPZSA-N 1 1 265.357 0.745 50 0 CCAAMO C[C@@H]1CN(C(=O)C[N@H+](CCO)Cc2ccccc2)CCO1 ZINC000050515409 348476395 /nfs/dbraw/zinc/47/63/95/348476395.db2.gz HHFBRHYOFITIPG-CQSZACIVSA-N 1 1 292.379 0.728 50 0 CCAAMO C[C@@H]1CN(C(=O)C[N@@H+](CCO)Cc2ccccc2)CCO1 ZINC000050515409 348476396 /nfs/dbraw/zinc/47/63/96/348476396.db2.gz HHFBRHYOFITIPG-CQSZACIVSA-N 1 1 292.379 0.728 50 0 CCAAMO COCC[NH+]1CCN(CC(=O)N(C)C(C)C)CC1 ZINC000054188053 348544543 /nfs/dbraw/zinc/54/45/43/348544543.db2.gz PQUANWRHIIVVQD-UHFFFAOYSA-N 1 1 257.378 0.117 50 0 CCAAMO CCOC(=O)C1=C(C[N@@H+]2CCCC[C@H]2C)NC(=O)NC1 ZINC000057322234 348606907 /nfs/dbraw/zinc/60/69/07/348606907.db2.gz GZFLQIOJUIZGMV-SNVBAGLBSA-N 1 1 281.356 0.991 50 0 CCAAMO CCOC(=O)C1=C(C[N@H+]2CCCC[C@H]2C)NC(=O)NC1 ZINC000057322234 348606909 /nfs/dbraw/zinc/60/69/09/348606909.db2.gz GZFLQIOJUIZGMV-SNVBAGLBSA-N 1 1 281.356 0.991 50 0 CCAAMO Cc1ccc([C@@H](O)C[NH+]2CCN(CCO)CC2)cc1C ZINC000057575784 348612491 /nfs/dbraw/zinc/61/24/91/348612491.db2.gz DIBXGVJRSFTMTL-INIZCTEOSA-N 1 1 278.396 0.947 50 0 CCAAMO Cc1ccc([C@@H](O)CN2CC[NH+](CCO)CC2)cc1C ZINC000057575784 348612494 /nfs/dbraw/zinc/61/24/94/348612494.db2.gz DIBXGVJRSFTMTL-INIZCTEOSA-N 1 1 278.396 0.947 50 0 CCAAMO COc1c(C[NH2+][C@H]2CCCCNC2=O)c(C)nn1C ZINC000058392614 348626886 /nfs/dbraw/zinc/62/68/86/348626886.db2.gz JUOLHYMKRIJRNH-NSHDSACASA-N 1 1 266.345 0.495 50 0 CCAAMO CC[N@H+](CC(=O)N[C@H]1CCS(=O)(=O)C1)C1CCCC1 ZINC000059038315 348637514 /nfs/dbraw/zinc/63/75/14/348637514.db2.gz SKJVRISNMIBDHX-NSHDSACASA-N 1 1 288.413 0.554 50 0 CCAAMO CC[N@@H+](CC(=O)N[C@H]1CCS(=O)(=O)C1)C1CCCC1 ZINC000059038315 348637515 /nfs/dbraw/zinc/63/75/15/348637515.db2.gz SKJVRISNMIBDHX-NSHDSACASA-N 1 1 288.413 0.554 50 0 CCAAMO O=c1[nH]cc(N2CC[NH+](Cc3ccccc3)CC2)c(=O)[nH]1 ZINC000059601214 348638173 /nfs/dbraw/zinc/63/81/73/348638173.db2.gz BQUYEGDTBNEKRQ-UHFFFAOYSA-N 1 1 286.335 0.385 50 0 CCAAMO Cc1csc(N2CC[NH+](CCn3cncn3)CC2)n1 ZINC000065625006 348724748 /nfs/dbraw/zinc/72/47/48/348724748.db2.gz UFIBISJFNMWQGN-UHFFFAOYSA-N 1 1 278.385 0.865 50 0 CCAAMO CN(C)[C@H](C[NH2+]Cc1nnnn1C1CC1)c1ccco1 ZINC000069161909 348835524 /nfs/dbraw/zinc/83/55/24/348835524.db2.gz CJOMFVPRLHDSLR-LLVKDONJSA-N 1 1 276.344 0.994 50 0 CCAAMO CCS(=O)(=O)CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1C ZINC000069487775 348848184 /nfs/dbraw/zinc/84/81/84/348848184.db2.gz DTWRJANMRHNEPF-RYUDHWBXSA-N 1 1 288.413 0.506 50 0 CCAAMO CCS(=O)(=O)CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1C ZINC000069487775 348848188 /nfs/dbraw/zinc/84/81/88/348848188.db2.gz DTWRJANMRHNEPF-RYUDHWBXSA-N 1 1 288.413 0.506 50 0 CCAAMO Cc1cc(NC(=O)[C@@H](C)N2CC[NH+](C[C@@H](C)O)CC2)no1 ZINC000069652599 348856795 /nfs/dbraw/zinc/85/67/95/348856795.db2.gz GFLKXLPDOXYKNF-ZYHUDNBSSA-N 1 1 296.371 0.308 50 0 CCAAMO O=C1OCC[C@H]1N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000069697918 348857255 /nfs/dbraw/zinc/85/72/55/348857255.db2.gz MRMXKVZOIKFSGD-HUUCEWRRSA-N 1 1 290.363 0.653 50 0 CCAAMO CNC(=O)NC(=O)CC[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000069739059 348859817 /nfs/dbraw/zinc/85/98/17/348859817.db2.gz PKFCBOVYYCIRIP-NSHDSACASA-N 1 1 264.329 0.997 50 0 CCAAMO COCC[NH+]1CCN(Cc2nnc(C(C)C)o2)CC1 ZINC000069780287 348860745 /nfs/dbraw/zinc/86/07/45/348860745.db2.gz OQRJTGQIZRUUBI-UHFFFAOYSA-N 1 1 268.361 0.957 50 0 CCAAMO CC[C@@H](O)C[NH+]1CCN(C(=O)CCc2cnn(C)c2)CC1 ZINC000069901531 348865369 /nfs/dbraw/zinc/86/53/69/348865369.db2.gz CGHSOMJHOVSZOW-CQSZACIVSA-N 1 1 294.399 0.268 50 0 CCAAMO COCCN1CC[NH+](CCCN2CCCC2=O)CC1 ZINC000069967348 348867934 /nfs/dbraw/zinc/86/79/34/348867934.db2.gz KKUOMXNXDUGKMA-UHFFFAOYSA-N 1 1 269.389 0.263 50 0 CCAAMO C[C@@H](O)C[NH+]1CCN(C(=O)C[C@H](C)n2cccc2)CC1 ZINC000070040411 348870626 /nfs/dbraw/zinc/87/06/26/348870626.db2.gz KOCIGYCPAAIYRZ-UONOGXRCSA-N 1 1 279.384 0.964 50 0 CCAAMO C[C@@H]([NH2+]Cc1nnnn1C1CC1)[C@@H](C)n1cccn1 ZINC000071882103 348913114 /nfs/dbraw/zinc/91/31/14/348913114.db2.gz HJIOMGXIXLFZSQ-NXEZZACHSA-N 1 1 261.333 0.944 50 0 CCAAMO Cn1cccc1C(=O)OCCC[NH+]1CCOCC1 ZINC000072312601 348920843 /nfs/dbraw/zinc/92/08/43/348920843.db2.gz YLVLNUIUOYRBDL-UHFFFAOYSA-N 1 1 252.314 0.904 50 0 CCAAMO Cc1nc([C@H]2CN(CC[NH+]3CCCCC3)CCO2)n[nH]1 ZINC000076048441 349065204 /nfs/dbraw/zinc/06/52/04/349065204.db2.gz DTNRRIWHGKZEPP-CYBMUJFWSA-N 1 1 279.388 0.972 50 0 CCAAMO Cc1cc(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)n(C)n1 ZINC000078788604 349153343 /nfs/dbraw/zinc/15/33/43/349153343.db2.gz RZXCUCPFIGQZHG-TZMCWYRMSA-N 1 1 292.383 0.400 50 0 CCAAMO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1n[nH]c2ccccc21 ZINC000082121172 349291254 /nfs/dbraw/zinc/29/12/54/349291254.db2.gz UNGADIRDNNWPQI-IUCAKERBSA-N 1 1 262.288 0.993 50 0 CCAAMO C[C@@H]1CN(S(=O)(=O)c2ccccc2F)CC[NH2+]1 ZINC000088059709 349355430 /nfs/dbraw/zinc/35/54/30/349355430.db2.gz QGVTYCKQGDZNSG-SECBINFHSA-N 1 1 258.318 0.808 50 0 CCAAMO CC(C)N1C(=O)N[C@]2(CC[N@@H+](C[C@@H]3CCCO3)C2)C1=O ZINC000084597332 349322730 /nfs/dbraw/zinc/32/27/30/349322730.db2.gz JSVLQPIYFUQUCR-FZMZJTMJSA-N 1 1 281.356 0.570 50 0 CCAAMO CC(C)N1C(=O)N[C@]2(CC[N@@H+](CCn3cccn3)C2)C1=O ZINC000084597382 349323746 /nfs/dbraw/zinc/32/37/46/349323746.db2.gz LFJJPPZQLZDQOU-AWEZNQCLSA-N 1 1 291.355 0.288 50 0 CCAAMO Cc1nc(CN2CC[NH+](C[C@H](O)COC(C)C)CC2)no1 ZINC000089718362 349403066 /nfs/dbraw/zinc/40/30/66/349403066.db2.gz NNHOAKSTCZYBIM-ZDUSSCGKSA-N 1 1 298.387 0.282 50 0 CCAAMO CCC[C@@]1(CO)CCC[N@@H+](Cc2cc(=O)[nH]c(=O)[nH]2)C1 ZINC000091411642 180148854 /nfs/dbraw/zinc/14/88/54/180148854.db2.gz XUQBKPALIUKCKB-CQSZACIVSA-N 1 1 281.356 0.850 50 0 CCAAMO CN1CC2(CCN(C[C@@H]3CCC[NH2+]C3)CC2)OC1=O ZINC000072418669 282675321 /nfs/dbraw/zinc/67/53/21/282675321.db2.gz XNLGZUHMHKJTKB-GFCCVEGCSA-N 1 1 267.373 0.903 50 0 CCAAMO C[C@H](CNC(=O)CCn1cncn1)[N@H+]1CCC[C@H](C)C1 ZINC000106625100 186128780 /nfs/dbraw/zinc/12/87/80/186128780.db2.gz FOQGXXQFTAVZKN-QWHCGFSZSA-N 1 1 279.388 0.905 50 0 CCAAMO C[C@H](O)C[N@H+]1CCN(Cc2nccn2C)C[C@@H]1C ZINC000106840976 186139727 /nfs/dbraw/zinc/13/97/27/186139727.db2.gz VVBZQYIWPDMDHL-RYUDHWBXSA-N 1 1 252.362 0.307 50 0 CCAAMO COCCCNC(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000176483866 351176024 /nfs/dbraw/zinc/17/60/24/351176024.db2.gz YLKQREVUDCHEPB-GHMZBOCLSA-N 1 1 255.362 0.947 50 0 CCAAMO CCN1CCN([C@@H]2CC[N@H+](Cc3ccnc(N)c3)C2)CC1 ZINC000191488233 351761010 /nfs/dbraw/zinc/76/10/10/351761010.db2.gz PFGXLWRQXPQNTG-OAHLLOKOSA-N 1 1 289.427 0.876 50 0 CCAAMO CCN1CCN([C@@H]2CC[N@@H+](Cc3ccnc(N)c3)C2)CC1 ZINC000191488233 351761021 /nfs/dbraw/zinc/76/10/21/351761021.db2.gz PFGXLWRQXPQNTG-OAHLLOKOSA-N 1 1 289.427 0.876 50 0 CCAAMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)N[C@@H]2CCOC2)C1 ZINC000195555420 351919395 /nfs/dbraw/zinc/91/93/95/351919395.db2.gz XFRRJZDQAIFTJH-YNEHKIRRSA-N 1 1 267.373 0.901 50 0 CCAAMO Cc1csc([C@H](C)NC(=O)C[N@H+](C)CCO)n1 ZINC000215943331 351938642 /nfs/dbraw/zinc/93/86/42/351938642.db2.gz LWUAXPMJEQEPLL-VIFPVBQESA-N 1 1 257.359 0.553 50 0 CCAAMO Cc1csc([C@H](C)NC(=O)C[N@@H+](C)CCO)n1 ZINC000215943331 351938647 /nfs/dbraw/zinc/93/86/47/351938647.db2.gz LWUAXPMJEQEPLL-VIFPVBQESA-N 1 1 257.359 0.553 50 0 CCAAMO CCn1ccc(C(=O)NCCC[NH+]2CCN(C)CC2)n1 ZINC000216066802 351939499 /nfs/dbraw/zinc/93/94/99/351939499.db2.gz CFZOXPFHVJOLDG-UHFFFAOYSA-N 1 1 279.388 0.270 50 0 CCAAMO Cn1cncc1CN1CCC(CO)(C[NH+](C)C)CC1 ZINC000216183367 351939974 /nfs/dbraw/zinc/93/99/74/351939974.db2.gz XASDXSSZQIYMEF-UHFFFAOYSA-N 1 1 266.389 0.556 50 0 CCAAMO CCCCS(=O)(=O)N[C@H]1[C@H]2CCO[C@H]2[C@@H]1[NH+](C)C ZINC000220223049 351972024 /nfs/dbraw/zinc/97/20/24/351972024.db2.gz XGCKZMRQGFGXNI-WRWGMCAJSA-N 1 1 276.402 0.423 50 0 CCAAMO Cc1nc([C@H](C)NC(=O)CN(C)C2CC[NH+](C)CC2)n[nH]1 ZINC000221442772 351979108 /nfs/dbraw/zinc/97/91/08/351979108.db2.gz CQWGERDWYPVLAP-JTQLQIEISA-N 1 1 294.403 0.316 50 0 CCAAMO NC(=O)CN1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000225725330 352012401 /nfs/dbraw/zinc/01/24/01/352012401.db2.gz AVWPQNKYIFTDEV-LLVKDONJSA-N 1 1 262.357 0.884 50 0 CCAAMO C[C@H](C(=O)N1CCCC1)[N@H+]1CCC[C@@H](C(=O)NC2CC2)C1 ZINC000229239606 352089073 /nfs/dbraw/zinc/08/90/73/352089073.db2.gz RFZJVVCBKUXZJZ-CHWSQXEVSA-N 1 1 293.411 0.988 50 0 CCAAMO CC[N@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)N2CCCC2)C1 ZINC000229310478 352089614 /nfs/dbraw/zinc/08/96/14/352089614.db2.gz KOTXHQUPBUQKAQ-MNOVXSKESA-N 1 1 261.391 0.257 50 0 CCAAMO CC(=O)N1CCN([C@@H]2C[N@@H+](Cc3ccon3)C[C@@H]2C)CC1 ZINC000229307008 352089834 /nfs/dbraw/zinc/08/98/34/352089834.db2.gz WQERPINFKDEQJT-SWLSCSKDSA-N 1 1 292.383 0.659 50 0 CCAAMO CC(=O)N1CCN([C@@H]2C[N@H+](Cc3ccon3)C[C@@H]2C)CC1 ZINC000229307008 352089835 /nfs/dbraw/zinc/08/98/35/352089835.db2.gz WQERPINFKDEQJT-SWLSCSKDSA-N 1 1 292.383 0.659 50 0 CCAAMO CC(=O)N1CC[NH+]([C@@H]2CN(Cc3ccon3)C[C@@H]2C)CC1 ZINC000229307008 352089836 /nfs/dbraw/zinc/08/98/36/352089836.db2.gz WQERPINFKDEQJT-SWLSCSKDSA-N 1 1 292.383 0.659 50 0 CCAAMO Cc1nc(C)c(S(=O)(=O)N2CC[NH2+][C@@H](C)C2)s1 ZINC000237694613 352278758 /nfs/dbraw/zinc/27/87/58/352278758.db2.gz ONBMOPVCZDAQKL-ZETCQYMHSA-N 1 1 275.399 0.742 50 0 CCAAMO CCn1c(CN2CCN(C)CC2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000243901853 352308746 /nfs/dbraw/zinc/30/87/46/352308746.db2.gz BEWLAGOXUZFUMG-TXEJJXNPSA-N 1 1 278.404 0.250 50 0 CCAAMO O=C([C@@H]1CCC[N@@H+](CCn2cc[nH]c2=O)C1)N1CCCC1 ZINC000244816879 352313941 /nfs/dbraw/zinc/31/39/41/352313941.db2.gz SQFGEGQFDNOLDM-CYBMUJFWSA-N 1 1 292.383 0.511 50 0 CCAAMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1cccnc1 ZINC000247318240 352409190 /nfs/dbraw/zinc/40/91/90/352409190.db2.gz ONDADLCNZLLWQH-NEPJUHHUSA-N 1 1 281.381 0.939 50 0 CCAAMO COCC[N@@H+]1CCN([C@H](C)C(=O)N2CCCC2)C[C@H]1C ZINC000252474518 352514659 /nfs/dbraw/zinc/51/46/59/352514659.db2.gz GYTGFTDAFIYKHN-ZIAGYGMSSA-N 1 1 283.416 0.650 50 0 CCAAMO COCC[N@H+]1CCN([C@H](C)C(=O)N2CCCC2)C[C@H]1C ZINC000252474518 352514660 /nfs/dbraw/zinc/51/46/60/352514660.db2.gz GYTGFTDAFIYKHN-ZIAGYGMSSA-N 1 1 283.416 0.650 50 0 CCAAMO O=C(N[C@@H]1C[N@@H+](C2CCC2)C[C@H]1CO)c1cccnc1 ZINC000257194569 352550788 /nfs/dbraw/zinc/55/07/88/352550788.db2.gz UHGGGQNNCLMNKT-GXTWGEPZSA-N 1 1 275.352 0.657 50 0 CCAAMO CN(CC(=O)N1CCOCC1)Cc1n[nH]c2c1CCC2 ZINC000252495648 352517195 /nfs/dbraw/zinc/51/71/95/352517195.db2.gz OUYUQGDDMFPLSP-UHFFFAOYSA-N 1 1 278.356 0.189 50 0 CCAAMO CC(=O)N[C@@H]1C[N@H+](Cc2cnn(C(C)C)c2)C[C@H]1CO ZINC000257192726 352550968 /nfs/dbraw/zinc/55/09/68/352550968.db2.gz VLVVMYGKDVOJSI-UONOGXRCSA-N 1 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291.351 0.931 50 0 CCAAMO C[C@H](C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)n1cncn1 ZINC000044934397 175281332 /nfs/dbraw/zinc/28/13/32/175281332.db2.gz QSPFTOJLCGSHKU-GHMZBOCLSA-N 1 1 263.345 0.440 50 0 CCAAMO Cc1ccoc1C(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC000046737214 175398766 /nfs/dbraw/zinc/39/87/66/175398766.db2.gz VEXGFKHXXLQPKX-UHFFFAOYSA-N 1 1 265.313 0.268 50 0 CCAAMO COCC[N@H+]1CC[C@H](C(=O)NCc2ccccn2)C1 ZINC000065370783 175722756 /nfs/dbraw/zinc/72/27/56/175722756.db2.gz QYTKOTSFOQYSMC-LBPRGKRZSA-N 1 1 263.341 0.666 50 0 CCAAMO Cn1cc([C@@H]2CCC[N@H+]2CCN2C(=O)CNC2=O)cn1 ZINC000071797213 176265141 /nfs/dbraw/zinc/26/51/41/176265141.db2.gz UELKXBSAMFCVAS-NSHDSACASA-N 1 1 277.328 0.109 50 0 CCAAMO C[C@H](O)C[NH+]1CCN(C(=O)CC[C@@H]2CCCO2)CC1 ZINC000071871220 176283397 /nfs/dbraw/zinc/28/33/97/176283397.db2.gz NNKRZHRAHIVTLV-STQMWFEESA-N 1 1 270.373 0.471 50 0 CCAAMO C[C@@H](O)C[NH+]1CCN(C(=O)CC[C@@H]2CCCO2)CC1 ZINC000071871221 176283470 /nfs/dbraw/zinc/28/34/70/176283470.db2.gz 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CCN1[NH+]=C(C)[C@@H](C)n2c1nc1c2c(=O)n(C)c(=O)n1C ZINC000005147977 276254379 /nfs/dbraw/zinc/25/43/79/276254379.db2.gz LCVIFIJHIRJLRM-MRVPVSSYSA-N 1 1 290.327 0.211 50 0 CCAAMO CCOCC[N@@H+]1CCN(C(=O)c2cc(C)n(C)n2)C[C@@H]1C ZINC000089986983 276321211 /nfs/dbraw/zinc/32/12/11/276321211.db2.gz XOYIASPAVLCDRK-ZDUSSCGKSA-N 1 1 294.399 0.911 50 0 CCAAMO CCOCC[N@H+]1CCN(C(=O)c2cc(C)n(C)n2)C[C@@H]1C ZINC000089986983 276321212 /nfs/dbraw/zinc/32/12/12/276321212.db2.gz XOYIASPAVLCDRK-ZDUSSCGKSA-N 1 1 294.399 0.911 50 0 CCAAMO C[NH+](C)C[C@@]1(O)CCN(c2nc(N)nc3c2CCCC3)C1 ZINC000095366975 276800830 /nfs/dbraw/zinc/80/08/30/276800830.db2.gz QSWHUPVZHQCGMS-HNNXBMFYSA-N 1 1 291.399 0.440 50 0 CCAAMO CS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000048903324 278114141 /nfs/dbraw/zinc/11/41/41/278114141.db2.gz WAIXCICOFIUZEP-GFCCVEGCSA-N 1 1 254.355 0.810 50 0 CCAAMO C[C@@H]1CN(S(=O)(=O)c2c[nH]c3ncccc23)C[C@@H](C)[NH2+]1 ZINC000070076819 278790573 /nfs/dbraw/zinc/79/05/73/278790573.db2.gz 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CCOC[C@@H](O)C[NH+]1CCN(c2nc(C)cc(C)n2)CC1 ZINC000265450140 352640065 /nfs/dbraw/zinc/64/00/65/352640065.db2.gz AVSNXVKSNRQGCW-AWEZNQCLSA-N 1 1 294.399 0.613 50 0 CCAAMO CCNS(=O)(=O)[C@H]1CCN(c2cccc(C)[nH+]2)C1 ZINC000158344482 188370836 /nfs/dbraw/zinc/37/08/36/188370836.db2.gz QVWRMFNFSNHQGU-NSHDSACASA-N 1 1 269.370 0.908 50 0 CCAAMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1COC(=O)N1 ZINC000283097597 353480503 /nfs/dbraw/zinc/48/05/03/353480503.db2.gz WTSVWWSZAGLZJL-STQMWFEESA-N 1 1 289.335 0.486 50 0 CCAAMO CNS(=O)(=O)NC1CC[NH+](C/C=C\Cl)CC1 ZINC000606441084 363286922 /nfs/dbraw/zinc/28/69/22/363286922.db2.gz FYAZIQGVCIWCAI-DJWKRKHSSA-N 1 1 267.782 0.257 50 0 CCAAMO CC(=O)N1CC[NH+]([C@@H]2CN(Cc3ncc[nH]3)C[C@H]2C)CC1 ZINC000299754042 354047708 /nfs/dbraw/zinc/04/77/08/354047708.db2.gz QMLLFNKYOWHQSG-TZMCWYRMSA-N 1 1 291.399 0.394 50 0 CCAAMO COCCC[N@H+]1CC[C@H](CNC(=O)c2cncnc2C)C1 ZINC000299759783 354048681 /nfs/dbraw/zinc/04/86/81/354048681.db2.gz PFGOHNOFOHUVIU-CYBMUJFWSA-N 1 1 292.383 0.873 50 0 CCAAMO C[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cncc(=O)[nH]1 ZINC000584889054 359229526 /nfs/dbraw/zinc/22/95/26/359229526.db2.gz OMTDKMZOFILGPQ-ZDUSSCGKSA-N 1 1 298.346 0.556 50 0 CCAAMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)C[C@@H]2CCOC2)C1 ZINC000076058641 184585349 /nfs/dbraw/zinc/58/53/49/184585349.db2.gz HZVFQAKSKXOIBO-UPJWGTAASA-N 1 1 290.429 0.671 50 0 CCAAMO CC(C)N(Cc1cnn(C)c1)C[C@@H]1C[N@@H+](C)CC[C@H]1O ZINC000020203766 388794397 /nfs/dbraw/zinc/79/43/97/388794397.db2.gz BFWAEQRHGISHFW-LSDHHAIUSA-N 1 1 280.416 0.943 50 0 CCAAMO CC(C)[N@@H+](Cc1cnn(C)c1)C[C@@H]1CN(C)CC[C@H]1O ZINC000020203766 388794401 /nfs/dbraw/zinc/79/44/01/388794401.db2.gz BFWAEQRHGISHFW-LSDHHAIUSA-N 1 1 280.416 0.943 50 0 CCAAMO CC(C)[N@H+](Cc1cnn(C)c1)C[C@@H]1CN(C)CC[C@H]1O ZINC000020203766 388794405 /nfs/dbraw/zinc/79/44/05/388794405.db2.gz BFWAEQRHGISHFW-LSDHHAIUSA-N 1 1 280.416 0.943 50 0 CCAAMO C[C@@H]1CCC[C@@H]1OC[C@@H](O)CN1CC[NH+](C)CC1 ZINC000022917795 388798605 /nfs/dbraw/zinc/79/86/05/388798605.db2.gz IPEVRAKFVVFBAI-RDBSUJKOSA-N 1 1 256.390 0.800 50 0 CCAAMO CC(C)NC(=O)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000023106518 388801058 /nfs/dbraw/zinc/80/10/58/388801058.db2.gz HCYMQGUZJSFPPA-JTQLQIEISA-N 1 1 267.329 0.523 50 0 CCAAMO CCNC(=O)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000023106513 388801729 /nfs/dbraw/zinc/80/17/29/388801729.db2.gz PXNHHOVFVIAGMI-VIFPVBQESA-N 1 1 253.302 0.135 50 0 CCAAMO Cc1ccccc1OCC[N@H+](C)CCC(=O)NC(N)=O ZINC000011477776 388770863 /nfs/dbraw/zinc/77/08/63/388770863.db2.gz NPTYCHACRHFCQY-UHFFFAOYSA-N 1 1 279.340 0.891 50 0 CCAAMO C[N@H+](CC(=O)N1CCCC[C@@H]1C(N)=O)Cc1ccccc1 ZINC000025416758 388815878 /nfs/dbraw/zinc/81/58/78/388815878.db2.gz MBHWRTIBHGTFRV-CQSZACIVSA-N 1 1 289.379 0.985 50 0 CCAAMO C[N@@H+](CC(=O)N1CCCC[C@@H]1C(N)=O)Cc1ccccc1 ZINC000025416758 388815879 /nfs/dbraw/zinc/81/58/79/388815879.db2.gz MBHWRTIBHGTFRV-CQSZACIVSA-N 1 1 289.379 0.985 50 0 CCAAMO C[C@H]1C[NH+](CCNc2ncnc3c2cnn3C)C[C@H](C)O1 ZINC000026148382 388819796 /nfs/dbraw/zinc/81/97/96/388819796.db2.gz XVNKLQAKLQIADP-QWRGUYRKSA-N 1 1 290.371 0.884 50 0 CCAAMO C[C@@H]1CCC[N@@H+](CCNC(=O)c2ccc(=O)[nH]n2)C1 ZINC000046862582 388877203 /nfs/dbraw/zinc/87/72/03/388877203.db2.gz ZEXSVGIKWJTJMA-SNVBAGLBSA-N 1 1 264.329 0.644 50 0 CCAAMO Cc1ccc([C@@H](C)[N@H+](C)CC(=O)N2CCNC(=O)C2)cc1 ZINC000059038215 388935374 /nfs/dbraw/zinc/93/53/74/388935374.db2.gz IWPVLFILSGTBPW-CYBMUJFWSA-N 1 1 289.379 0.946 50 0 CCAAMO Cc1ccc([C@@H](C)[N@@H+](C)CC(=O)N2CCNC(=O)C2)cc1 ZINC000059038215 388935378 /nfs/dbraw/zinc/93/53/78/388935378.db2.gz IWPVLFILSGTBPW-CYBMUJFWSA-N 1 1 289.379 0.946 50 0 CCAAMO CC[C@H](O)C[NH+]1CCN(C(=O)CCc2ccncc2)CC1 ZINC000071881089 388959169 /nfs/dbraw/zinc/95/91/69/388959169.db2.gz FPCXREGMQFWYHZ-HNNXBMFYSA-N 1 1 291.395 0.929 50 0 CCAAMO CN(C)C(=O)c1cncc(NC[C@@H]2COCC[N@@H+](C)C2)n1 ZINC000072151015 388959630 /nfs/dbraw/zinc/95/96/30/388959630.db2.gz YENSTCUBYHACRF-NSHDSACASA-N 1 1 293.371 0.169 50 0 CCAAMO C[C@H](C(N)=O)[NH+]1CCC2(CC1)c1ccccc1N(C)C2=O ZINC000072132031 388959963 /nfs/dbraw/zinc/95/99/63/388959963.db2.gz ORRSXOQHLKBUSR-LLVKDONJSA-N 1 1 287.363 0.870 50 0 CCAAMO CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](COC)C1 ZINC000079091137 388993858 /nfs/dbraw/zinc/99/38/58/388993858.db2.gz PNMBIVVECUFCCT-ZJUUUORDSA-N 1 1 257.334 0.189 50 0 CCAAMO COC[C@@H](O)C[NH+]1CCN(CC(F)(F)C(F)F)CC1 ZINC000079350351 388995123 /nfs/dbraw/zinc/99/51/23/388995123.db2.gz CPYPPJMBUPPQSZ-VIFPVBQESA-N 1 1 288.285 0.512 50 0 CCAAMO COc1ccc(S(=O)(=O)N2CC[NH2+][C@@H](C)C2)cc1F ZINC000088059674 389012415 /nfs/dbraw/zinc/01/24/15/389012415.db2.gz QXTUCLRIUYMEKZ-VIFPVBQESA-N 1 1 288.344 0.817 50 0 CCAAMO COC[C@H](C)S(=O)(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000096427686 389060825 /nfs/dbraw/zinc/06/08/25/389060825.db2.gz SUTCERIFXUAJCP-WDEREUQCSA-N 1 1 276.402 0.425 50 0 CCAAMO CNC(=O)c1cccc(C[N@@H+](C)C[C@H](O)COC)c1 ZINC000096424663 389061371 /nfs/dbraw/zinc/06/13/71/389061371.db2.gz CPBNSTCRHOWYMB-ZDUSSCGKSA-N 1 1 266.341 0.485 50 0 CCAAMO C[NH+](C)CC(=O)NC(C)(C)C(=O)NCC1CCCC1 ZINC000097104308 389066931 /nfs/dbraw/zinc/06/69/31/389066931.db2.gz USYOPPSMDUAKLD-UHFFFAOYSA-N 1 1 269.389 0.749 50 0 CCAAMO Cc1nncn1CCNC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000097103209 389066999 /nfs/dbraw/zinc/06/69/99/389066999.db2.gz CIJWYSBCZMTCIP-GRYCIOLGSA-N 1 1 279.388 0.964 50 0 CCAAMO c1cc(C[N@@H+]2CC[C@@H]3OCc4cnnn4[C@H]3C2)n[nH]1 ZINC000299763881 389042242 /nfs/dbraw/zinc/04/22/42/389042242.db2.gz GIEOHMBBIXDXPO-RYUDHWBXSA-N 1 1 260.301 0.347 50 0 CCAAMO c1cc(C[N@H+]2CC[C@@H]3OCc4cnnn4[C@H]3C2)n[nH]1 ZINC000299763881 389042246 /nfs/dbraw/zinc/04/22/46/389042246.db2.gz GIEOHMBBIXDXPO-RYUDHWBXSA-N 1 1 260.301 0.347 50 0 CCAAMO O=C1NCCN([C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000096032936 389044069 /nfs/dbraw/zinc/04/40/69/389044069.db2.gz RTPXGHKKUZENAQ-AWEZNQCLSA-N 1 1 287.363 0.609 50 0 CCAAMO C[N@@H+](CCNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C)C1CC1 ZINC000229928787 389156793 /nfs/dbraw/zinc/15/67/93/389156793.db2.gz IQENUKRLBRDJRH-KGLIPLIRSA-N 1 1 280.416 0.959 50 0 CCAAMO CC(C)[N@@H+](CCN1C[C@@H](C)O[C@@H](C)C1)CC(N)=O ZINC000408523418 389373929 /nfs/dbraw/zinc/37/39/29/389373929.db2.gz JWONJEBHGZWZEE-TXEJJXNPSA-N 1 1 257.378 0.291 50 0 CCAAMO Cc1ccc(OCCS(=O)(=O)N2CC[NH2+]C[C@H]2C)cc1 ZINC000426387054 389664397 /nfs/dbraw/zinc/66/43/97/389664397.db2.gz HUTYERZORJBKCP-CYBMUJFWSA-N 1 1 298.408 0.997 50 0 CCAAMO O=C(NCCc1cn[nH]n1)[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000426641453 389674980 /nfs/dbraw/zinc/67/49/80/389674980.db2.gz VBGNGLRRHBZOIG-CHWSQXEVSA-N 1 1 277.372 0.728 50 0 CCAAMO O=C(NCCc1c[nH]nn1)[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000426641453 389674983 /nfs/dbraw/zinc/67/49/83/389674983.db2.gz VBGNGLRRHBZOIG-CHWSQXEVSA-N 1 1 277.372 0.728 50 0 CCAAMO O=C(NCCc1c[nH]nn1)[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000426641453 389674986 /nfs/dbraw/zinc/67/49/86/389674986.db2.gz VBGNGLRRHBZOIG-CHWSQXEVSA-N 1 1 277.372 0.728 50 0 CCAAMO O=C(NCCc1cnn[nH]1)[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000426641453 389674987 /nfs/dbraw/zinc/67/49/87/389674987.db2.gz VBGNGLRRHBZOIG-CHWSQXEVSA-N 1 1 277.372 0.728 50 0 CCAAMO O=C(NCCc1cnn[nH]1)[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000426641453 389674988 /nfs/dbraw/zinc/67/49/88/389674988.db2.gz VBGNGLRRHBZOIG-CHWSQXEVSA-N 1 1 277.372 0.728 50 0 CCAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000046860466 411644559 /nfs/dbraw/zinc/64/45/59/411644559.db2.gz UKPMIGCMXAYJQD-CHWSQXEVSA-N 1 1 293.411 0.988 50 0 CCAAMO Cc1ccc(CN(C)C(=O)CN2CC[NH+](CCO)CC2)o1 ZINC000048581604 411659745 /nfs/dbraw/zinc/65/97/45/411659745.db2.gz MXKLKHFOYPEGEN-UHFFFAOYSA-N 1 1 295.383 0.156 50 0 CCAAMO COCc1nc2n(n1)CCC[C@@H]2N[C@H]1C[C@@H](C)[N@@H+](C)C1 ZINC000108116459 411700674 /nfs/dbraw/zinc/70/06/74/411700674.db2.gz LNQJVUPBNCJHBC-WOPDTQHZSA-N 1 1 279.388 0.942 50 0 CCAAMO COCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H]1C[C@@H](C)N(C)C1 ZINC000108116459 411700681 /nfs/dbraw/zinc/70/06/81/411700681.db2.gz LNQJVUPBNCJHBC-WOPDTQHZSA-N 1 1 279.388 0.942 50 0 CCAAMO C[C@@H]1CCCCN1S(=O)(=O)N1CCC[N@@H+](C)CC1 ZINC000044910639 287276882 /nfs/dbraw/zinc/27/68/82/287276882.db2.gz GPMPISDEWQZDCM-GFCCVEGCSA-N 1 1 275.418 0.743 50 0 CCAAMO CNC(=O)NC(=O)CC[N@@H+](C)Cc1ccc2c(c1)OCO2 ZINC000040494031 174293168 /nfs/dbraw/zinc/29/31/68/174293168.db2.gz JLKRSENMESDOGX-UHFFFAOYSA-N 1 1 293.323 0.693 50 0 CCAAMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@H](C)n2cncn2)C1 ZINC000044908854 175275216 /nfs/dbraw/zinc/27/52/16/175275216.db2.gz DPOCRVIKOJLKNY-OLZOCXBDSA-N 1 1 295.387 0.312 50 0 CCAAMO O=C(c1cnccn1)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000044911320 175275936 /nfs/dbraw/zinc/27/59/36/175275936.db2.gz JHNSAZLAJJCEIE-ZDUSSCGKSA-N 1 1 290.367 0.804 50 0 CCAAMO CC[C@H](O)C[NH+]1CCN(C(=O)C[C@@H](C)OC)CC1 ZINC000069950951 175863787 /nfs/dbraw/zinc/86/37/87/175863787.db2.gz DGTTYMBHYWSJSS-NEPJUHHUSA-N 1 1 258.362 0.327 50 0 CCAAMO C[N@H+](CCO)CC(=O)NC[C@H]1CCN(c2ccccc2)C1 ZINC000071812641 176268160 /nfs/dbraw/zinc/26/81/60/176268160.db2.gz HDYHCSFKWIVBAT-CQSZACIVSA-N 1 1 291.395 0.553 50 0 CCAAMO C[N@@H+](CCO)CC(=O)NC[C@H]1CCN(c2ccccc2)C1 ZINC000071812641 176268161 /nfs/dbraw/zinc/26/81/61/176268161.db2.gz HDYHCSFKWIVBAT-CQSZACIVSA-N 1 1 291.395 0.553 50 0 CCAAMO CC(C)OCCC(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000071871208 176283371 /nfs/dbraw/zinc/28/33/71/176283371.db2.gz NYPATRCTEWNCAN-GFCCVEGCSA-N 1 1 258.362 0.327 50 0 CCAAMO C[C@@H](O)C[NH+]1CCN(C(=O)[C@H](C)Cn2cccn2)CC1 ZINC000071871267 176283878 /nfs/dbraw/zinc/28/38/78/176283878.db2.gz NZUPHHSIVPRXKZ-CHWSQXEVSA-N 1 1 280.372 0.044 50 0 CCAAMO CC[C@@H](O)C[NH+]1CCN(C(=O)COCC(F)(F)F)CC1 ZINC000071880989 176288069 /nfs/dbraw/zinc/28/80/69/176288069.db2.gz TYOMNKGQUMTYQN-SNVBAGLBSA-N 1 1 298.305 0.480 50 0 CCAAMO CC1CC[NH+](C[C@H](O)C[N@H+]2CCC[C@@H]2C(=O)[O-])CC1 ZINC000071924277 176301517 /nfs/dbraw/zinc/30/15/17/176301517.db2.gz YCVNSXLVDVZROU-QWHCGFSZSA-N 1 1 270.373 0.628 50 0 CCAAMO CCNS(=O)(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1CC ZINC000072298301 176364040 /nfs/dbraw/zinc/36/40/40/176364040.db2.gz KZWYLFJLUAIBFG-GHMZBOCLSA-N 1 1 261.391 0.399 50 0 CCAAMO C[N@H+]1CCCN(C(=O)C2CCN(C(=O)C3CC3)CC2)CC1 ZINC000033028568 544419347 /nfs/dbraw/zinc/41/93/47/544419347.db2.gz CKYAJGSUXOSRDK-UHFFFAOYSA-N 1 1 293.411 0.799 50 0 CCAAMO C[C@H]1C[NH+](CCCCNS(=O)(=O)C2CC2)C[C@H](C)O1 ZINC000084706232 544491353 /nfs/dbraw/zinc/49/13/53/544491353.db2.gz MJJDMXOPXYRXCU-RYUDHWBXSA-N 1 1 290.429 0.958 50 0 CCAAMO CC(C)C[N@H+]1CC[C@H](C(=O)N2CCNC(=O)[C@@H]2C)C1 ZINC000089919858 544518188 /nfs/dbraw/zinc/51/81/88/544518188.db2.gz QRRHDYBAQNQLGN-RYUDHWBXSA-N 1 1 267.373 0.311 50 0 CCAAMO C[C@@H]([NH2+]CC(=O)N1CCNC(=O)C1)c1ccccc1Cl ZINC000024227107 260127287 /nfs/dbraw/zinc/12/72/87/260127287.db2.gz OYJARDBTAPUZGI-SNVBAGLBSA-N 1 1 295.770 0.949 50 0 CCAAMO CC(C)[C@H](CNC(=O)[C@H](C)n1cncn1)[NH+]1CCOCC1 ZINC000044908935 275699960 /nfs/dbraw/zinc/69/99/60/275699960.db2.gz BGNKVFQDFPKYQP-STQMWFEESA-N 1 1 295.387 0.312 50 0 CCAAMO Cc1cccc(N2CCC[C@@H](NS(C)(=O)=O)C2)[nH+]1 ZINC000131443736 278922129 /nfs/dbraw/zinc/92/21/29/278922129.db2.gz OYRGRDRIEWHOAQ-LLVKDONJSA-N 1 1 269.370 0.908 50 0 CCAAMO Cc1c[nH+]c(N[C@H]2CCC(=O)N(C)C2)nc1N(C)C ZINC000032533099 279020113 /nfs/dbraw/zinc/02/01/13/279020113.db2.gz WBJHSJRODYHFQU-JTQLQIEISA-N 1 1 263.345 0.884 50 0 CCAAMO C[C@H](C[N@H+]1CCCN(c2ncccn2)CC1)n1cncn1 ZINC000019850271 279306396 /nfs/dbraw/zinc/30/63/96/279306396.db2.gz KTIKXKGMXSHSNF-CYBMUJFWSA-N 1 1 287.371 0.841 50 0 CCAAMO CC1(C)NC(=O)N(CC[N@@H+]2CCO[C@@H]3CCCC[C@H]32)C1=O ZINC000230198388 281394503 /nfs/dbraw/zinc/39/45/03/281394503.db2.gz XIFFUCMBKDUPEF-VXGBXAGGSA-N 1 1 295.383 0.960 50 0 CCAAMO CC1(C)NC(=O)N(CC[N@H+]2CCO[C@@H]3CCCC[C@H]32)C1=O ZINC000230198388 281394506 /nfs/dbraw/zinc/39/45/06/281394506.db2.gz XIFFUCMBKDUPEF-VXGBXAGGSA-N 1 1 295.383 0.960 50 0 CCAAMO COC[C@H](C)S(=O)(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000072287563 293057441 /nfs/dbraw/zinc/05/74/41/293057441.db2.gz FPSBMJJULBBPPA-GRYCIOLGSA-N 1 1 276.402 0.520 50 0 CCAAMO Cc1n[nH]c(C)c1[C@@H]([NH3+])C(=O)N1CCc2[nH]cnc2C1 ZINC000216125823 293110879 /nfs/dbraw/zinc/11/08/79/293110879.db2.gz MYJRWJBQPHMNOQ-GFCCVEGCSA-N 1 1 274.328 0.334 50 0 CCAAMO C[C@@H]1CN(C[C@@H]2CCCN2C(=O)CC[NH3+])C[C@@H](C)O1 ZINC000237509538 297013679 /nfs/dbraw/zinc/01/36/79/297013679.db2.gz GWECDHHUUJRMAP-UPJWGTAASA-N 1 1 269.389 0.435 50 0 CCAAMO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)c2cn[nH]n2)C1 ZINC000534634212 328332908 /nfs/dbraw/zinc/33/29/08/328332908.db2.gz MFXBWHLDWMOGJK-SECBINFHSA-N 1 1 251.334 0.655 50 0 CCAAMO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2cnn[nH]2)C1 ZINC000534634212 328332910 /nfs/dbraw/zinc/33/29/10/328332910.db2.gz MFXBWHLDWMOGJK-SECBINFHSA-N 1 1 251.334 0.655 50 0 CCAAMO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)c2cnn[nH]2)C1 ZINC000534634212 328332911 /nfs/dbraw/zinc/33/29/11/328332911.db2.gz MFXBWHLDWMOGJK-SECBINFHSA-N 1 1 251.334 0.655 50 0 CCAAMO C[C@@H](CCNC(=O)c1cncnc1)N1CC[NH+](C)CC1 ZINC000534636588 328333958 /nfs/dbraw/zinc/33/39/58/328333958.db2.gz LIMGNYCBCSQVKP-LBPRGKRZSA-N 1 1 277.372 0.232 50 0 CCAAMO CN(Cc1n[nH]c2c1CCCC2)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000534636929 328334067 /nfs/dbraw/zinc/33/40/67/328334067.db2.gz YJPGMFBMYXTCND-ZDUSSCGKSA-N 1 1 278.356 0.235 50 0 CCAAMO CC[N@H+]1C[C@H](NC(=O)Cc2c(C)n[nH]c2C)[C@@H](OC)C1 ZINC000534648654 328343626 /nfs/dbraw/zinc/34/36/26/328343626.db2.gz YNTWMVSIMULGPX-STQMWFEESA-N 1 1 280.372 0.404 50 0 CCAAMO O=C(C[N@H+]1CCC[C@H](O)C1)NCCCOC1CCCC1 ZINC000534657467 328340979 /nfs/dbraw/zinc/34/09/79/328340979.db2.gz KDIFFPPDRIAWIS-ZDUSSCGKSA-N 1 1 284.400 0.909 50 0 CCAAMO O=C(C[N@@H+]1CCC[C@H](O)C1)NCCCOC1CCCC1 ZINC000534657467 328340981 /nfs/dbraw/zinc/34/09/81/328340981.db2.gz KDIFFPPDRIAWIS-ZDUSSCGKSA-N 1 1 284.400 0.909 50 0 CCAAMO C[C@H](CN1CCOCC1)C(=O)N1C[C@H]2CC[C@@H](C1)[C@H]2[NH3+] ZINC000534676222 328351805 /nfs/dbraw/zinc/35/18/05/328351805.db2.gz TWYODHPAQWYGHW-MQYQWHSLSA-N 1 1 281.400 0.150 50 0 CCAAMO 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281.400 0.831 50 0 CCAAMO C[C@H](C(N)=O)[N@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000229433576 289392826 /nfs/dbraw/zinc/39/28/26/289392826.db2.gz SPZDGMWEMMYXPR-MWLCHTKSSA-N 1 1 253.346 0.098 50 0 CCAAMO Cc1ccc(NC(=O)C[NH+](C)C)cc1S(=O)(=O)N(C)C ZINC000006301617 170189309 /nfs/dbraw/zinc/18/93/09/170189309.db2.gz AOBZNWRPYCDUHK-UHFFFAOYSA-N 1 1 299.396 0.745 50 0 CCAAMO COCCNC(=O)C[N@H+](C)Cc1ccc(OC)c(OC)c1 ZINC000007007592 170261901 /nfs/dbraw/zinc/26/19/01/170261901.db2.gz KKBKIFGKFNXEQU-UHFFFAOYSA-N 1 1 296.367 0.898 50 0 CCAAMO COCCNC(=O)C[N@@H+](C)Cc1ccc(OC)c(OC)c1 ZINC000007007592 170261903 /nfs/dbraw/zinc/26/19/03/170261903.db2.gz KKBKIFGKFNXEQU-UHFFFAOYSA-N 1 1 296.367 0.898 50 0 CCAAMO Cc1cc(=O)n2nc(N3CC[N@H+]4CCC[C@@H]4C3)sc2n1 ZINC000044933822 411633777 /nfs/dbraw/zinc/63/37/77/411633777.db2.gz BPSVYIONWQNISI-SNVBAGLBSA-N 1 1 291.380 0.744 50 0 CCAAMO C[NH+]1CCN(CC(=O)Nc2cccnc2Cl)CC1 ZINC000020220149 171081878 /nfs/dbraw/zinc/08/18/78/171081878.db2.gz GLKUAHDIGRHIII-UHFFFAOYSA-N 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/nfs/dbraw/zinc/57/40/28/841574028.db2.gz NWRDRHLODXEAFN-GFCCVEGCSA-N 1 1 293.367 0.810 50 0 CCAAMO Cc1[nH+]cn(CC(=O)NC[C@H]2COCCO2)c1C ZINC000220562681 230397573 /nfs/dbraw/zinc/39/75/73/230397573.db2.gz JBIXPPDGHZKCMY-NSHDSACASA-N 1 1 253.302 0.032 50 0 CCAAMO Cc1nccc(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)n1 ZINC000095950856 185039367 /nfs/dbraw/zinc/03/93/67/185039367.db2.gz TVBLLRPVHFGESU-ZIAGYGMSSA-N 1 1 290.367 0.456 50 0 CCAAMO O[C@@H]1C[N@H+](CCSc2ccc(F)cc2)C[C@@H]1O ZINC000093092138 349524379 /nfs/dbraw/zinc/52/43/79/349524379.db2.gz WEJZRFPZXOJKJJ-TXEJJXNPSA-N 1 1 257.330 0.955 50 0 CCAAMO CN(C)c1nc(NCC[N@H+]2CCC[C@H](CO)C2)ncc1F ZINC000095374331 349604409 /nfs/dbraw/zinc/60/44/09/349604409.db2.gz GUHDCONDVDADER-NSHDSACASA-N 1 1 297.378 0.798 50 0 CCAAMO CC(C)c1[nH+]ccn1CC(=O)N[C@@H](C)C(=O)N(C)C ZINC000097053358 349624859 /nfs/dbraw/zinc/62/48/59/349624859.db2.gz FQKSUOBPDPHCLE-JTQLQIEISA-N 1 1 266.345 0.599 50 0 CCAAMO Cn1cccc1[C@H]1COCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000097162822 349631217 /nfs/dbraw/zinc/63/12/17/349631217.db2.gz OIPKCLXNKKYWII-KGLIPLIRSA-N 1 1 293.367 0.256 50 0 CCAAMO Cn1cccc1[C@H]1COCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000097162822 349631218 /nfs/dbraw/zinc/63/12/18/349631218.db2.gz OIPKCLXNKKYWII-KGLIPLIRSA-N 1 1 293.367 0.256 50 0 CCAAMO CC[N@H+]1CCC[C@H]1CNS(=O)(=O)CC[C@@H]1CCCO1 ZINC000097165424 349631254 /nfs/dbraw/zinc/63/12/54/349631254.db2.gz GQAWOHNOYCVNMA-STQMWFEESA-N 1 1 290.429 0.959 50 0 CCAAMO Cn1cnnc1CCC(=O)N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000097681718 349645438 /nfs/dbraw/zinc/64/54/38/349645438.db2.gz MMXFRDGAAGBHRR-CQSZACIVSA-N 1 1 299.378 0.921 50 0 CCAAMO O=C(C[C@@H]1[NH2+][C@@H]2CCCC[C@@H]2NC1=O)NC1CC1 ZINC000102133113 349675780 /nfs/dbraw/zinc/67/57/80/349675780.db2.gz NJUAPHDAYSTOMW-VWYCJHECSA-N 1 1 251.330 0.054 50 0 CCAAMO CC[N@@H+]1C[C@H](NS(=O)(=O)[C@@H](C)COC)[C@@H](C)C1 ZINC000107059068 349736010 /nfs/dbraw/zinc/73/60/10/349736010.db2.gz AHFCFONYKFUBAL-DCAQKATOSA-N 1 1 264.391 0.281 50 0 CCAAMO CC(C)N1C(=O)N[C@@]2(CC[N@@H+](C[C@H]3CCOC3)C2)C1=O ZINC000107503706 349737872 /nfs/dbraw/zinc/73/78/72/349737872.db2.gz PSSLGFGXHQNZHY-BXUZGUMPSA-N 1 1 281.356 0.428 50 0 CCAAMO C[N@@H+](CC(=O)NCc1cccs1)C[C@H]1COCCO1 ZINC000450405431 529835970 /nfs/dbraw/zinc/83/59/70/529835970.db2.gz OMRRKBSYLBJVBF-NSHDSACASA-N 1 1 284.381 0.712 50 0 CCAAMO C[N@H+](CC(=O)NCc1cccs1)C[C@H]1COCCO1 ZINC000450405431 529835971 /nfs/dbraw/zinc/83/59/71/529835971.db2.gz OMRRKBSYLBJVBF-NSHDSACASA-N 1 1 284.381 0.712 50 0 CCAAMO O=c1[nH]ncc(NCCC[NH+]2CCOCC2)c1Cl ZINC000019793191 348069976 /nfs/dbraw/zinc/06/99/76/348069976.db2.gz IUVXNTGULXQFNX-UHFFFAOYSA-N 1 1 272.736 0.558 50 0 CCAAMO C[NH+]1CCN(C(=O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC000019790587 348070177 /nfs/dbraw/zinc/07/01/77/348070177.db2.gz VQVZVWFYAVSCLK-UHFFFAOYSA-N 1 1 287.319 0.057 50 0 CCAAMO Cc1cc(NC(=O)CC[NH+]2CCN(C)CC2)no1 ZINC000019848459 348071978 /nfs/dbraw/zinc/07/19/78/348071978.db2.gz AFPYSRQAKCHWKH-UHFFFAOYSA-N 1 1 252.318 0.559 50 0 CCAAMO O=C(NCCC[NH+]1CCOCC1)c1ccccc1O ZINC000019932869 348074026 /nfs/dbraw/zinc/07/40/26/348074026.db2.gz UZGIBSKECUCFSM-UHFFFAOYSA-N 1 1 264.325 0.844 50 0 CCAAMO NC(=[NH2+])NCCCN1CCN(c2ccc(F)cc2)CC1 ZINC000020857136 348078682 /nfs/dbraw/zinc/07/86/82/348078682.db2.gz ABKYRRRXTXZZBM-UHFFFAOYSA-N 1 1 279.363 0.821 50 0 CCAAMO CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1ccc(C(N)=O)cc1 ZINC000027567330 348100648 /nfs/dbraw/zinc/10/06/48/348100648.db2.gz VVVJJZBMLKHQKY-ZDUSSCGKSA-N 1 1 275.352 0.838 50 0 CCAAMO CCn1cc[nH+]c1Cn1ncc(N2CCOCC2)cc1=O ZINC000023506435 348085798 /nfs/dbraw/zinc/08/57/98/348085798.db2.gz FAXWLGAZVUIDCC-UHFFFAOYSA-N 1 1 289.339 0.345 50 0 CCAAMO C[C@H](CNC(=O)c1ccc[nH]c1=O)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000032828525 348139804 /nfs/dbraw/zinc/13/98/04/348139804.db2.gz JNKZHCZZKGRSQH-IJLUTSLNSA-N 1 1 293.367 0.602 50 0 CCAAMO C[C@@H](CNC(=O)c1ccc[nH]c1=O)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000032828523 348139885 /nfs/dbraw/zinc/13/98/85/348139885.db2.gz JNKZHCZZKGRSQH-SDDRHHMPSA-N 1 1 293.367 0.602 50 0 CCAAMO C[C@@H](CNC(=O)c1ccc[nH]c1=O)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000032828523 348139887 /nfs/dbraw/zinc/13/98/87/348139887.db2.gz JNKZHCZZKGRSQH-SDDRHHMPSA-N 1 1 293.367 0.602 50 0 CCAAMO NC(=O)C[NH+]1CCC(Nc2cnc3ccccc3n2)CC1 ZINC000041873376 348261123 /nfs/dbraw/zinc/26/11/23/348261123.db2.gz RFUNNLTXPFEDKY-UHFFFAOYSA-N 1 1 285.351 0.991 50 0 CCAAMO COCC(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000057288226 348605304 /nfs/dbraw/zinc/60/53/04/348605304.db2.gz GWOCFQLHUYSQRX-GFCCVEGCSA-N 1 1 297.424 0.799 50 0 CCAAMO CCc1ccccc1OCC[N@@H+](C)C[C@@H](O)CO ZINC000055120619 348571275 /nfs/dbraw/zinc/57/12/75/348571275.db2.gz MQZQKYPCCNYASW-CYBMUJFWSA-N 1 1 253.342 0.913 50 0 CCAAMO COCC[NH+](CCOC)CC(=O)N1CCCC[C@@H]1C ZINC000060992366 348650226 /nfs/dbraw/zinc/65/02/26/348650226.db2.gz VKFCWAQALLSTST-ZDUSSCGKSA-N 1 1 272.389 0.982 50 0 CCAAMO C[NH+](C)[C@]1(CNCC(=O)Nc2cnccn2)CCSC1 ZINC000065386364 348713001 /nfs/dbraw/zinc/71/30/01/348713001.db2.gz NGSDSGKRQSWVDC-ZDUSSCGKSA-N 1 1 295.412 0.442 50 0 CCAAMO Cc1ccc(CS(=O)(=O)N[C@@H]2C[C@@H](CO)[N@H+](C)C2)cc1 ZINC000065397074 348713753 /nfs/dbraw/zinc/71/37/53/348713753.db2.gz KGHMXJWQZZJWGX-KGLIPLIRSA-N 1 1 298.408 0.479 50 0 CCAAMO Cc1ccc(CS(=O)(=O)N[C@@H]2C[C@@H](CO)[N@@H+](C)C2)cc1 ZINC000065397074 348713756 /nfs/dbraw/zinc/71/37/56/348713756.db2.gz KGHMXJWQZZJWGX-KGLIPLIRSA-N 1 1 298.408 0.479 50 0 CCAAMO NC(=O)C[NH+]1CCC(NC(=O)c2ccc(Cl)o2)CC1 ZINC000065412399 348714437 /nfs/dbraw/zinc/71/44/37/348714437.db2.gz ILSOHPAZKRVEDW-UHFFFAOYSA-N 1 1 285.731 0.613 50 0 CCAAMO CCOCCO[C@@H](C)C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000065516451 348720447 /nfs/dbraw/zinc/72/04/47/348720447.db2.gz HIGUVKIQIXCSFY-NWDGAFQWSA-N 1 1 258.362 0.496 50 0 CCAAMO Cc1nnc(NC(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)s1 ZINC000064345652 348699203 /nfs/dbraw/zinc/69/92/03/348699203.db2.gz DIGSFBBZWDVKBF-VHSXEESVSA-N 1 1 297.384 0.831 50 0 CCAAMO C[C@H](C(=O)N1CCCC1)[N@H+]1CCC[C@H](C(=O)NC2CC2)C1 ZINC000065251857 348709196 /nfs/dbraw/zinc/70/91/96/348709196.db2.gz RFZJVVCBKUXZJZ-OLZOCXBDSA-N 1 1 293.411 0.988 50 0 CCAAMO Cc1cc(CN2CCN(C3CC[NH+](C)CC3)CC2)n[nH]1 ZINC000065288497 348709924 /nfs/dbraw/zinc/70/99/24/348709924.db2.gz AKJZLKYJVBFLOG-UHFFFAOYSA-N 1 1 277.416 0.930 50 0 CCAAMO CC[N@H+]1CCO[C@@H](CCNC(=O)c2cccnc2NC)C1 ZINC000067654892 348780856 /nfs/dbraw/zinc/78/08/56/348780856.db2.gz RTSPYQJTXHPLSI-LBPRGKRZSA-N 1 1 292.383 0.964 50 0 CCAAMO Cn1cc[nH+]c1Cn1c(=O)onc1-c1ccccn1 ZINC000069379622 348843617 /nfs/dbraw/zinc/84/36/17/348843617.db2.gz NLUNWWCOQIYZEE-UHFFFAOYSA-N 1 1 257.253 0.680 50 0 CCAAMO CCOCC[NH+]1CCN(CCC(=O)N(C)C)CC1 ZINC000069627337 348855902 /nfs/dbraw/zinc/85/59/02/348855902.db2.gz QWRZXTMJCHPWOA-UHFFFAOYSA-N 1 1 257.378 0.119 50 0 CCAAMO CCOCC[NH+]1CCN([C@H]2C[C@H](C)OC2=O)CC1 ZINC000069702163 348858640 /nfs/dbraw/zinc/85/86/40/348858640.db2.gz IUWLYSBNRUIVKN-RYUDHWBXSA-N 1 1 256.346 0.345 50 0 CCAAMO CC[C@H](O)C[NH+]1CCN(C(=O)c2cccnc2OC)CC1 ZINC000069919163 348866122 /nfs/dbraw/zinc/86/61/22/348866122.db2.gz VTMJJVJWZXXQIK-LBPRGKRZSA-N 1 1 293.367 0.619 50 0 CCAAMO C[C@H]([NH2+]C[C@H](O)CN1CCN(C)CC1)[C@H](C)n1cccn1 ZINC000070018095 348869480 /nfs/dbraw/zinc/86/94/80/348869480.db2.gz NQVSQZYDAMLVTG-KKUMJFAQSA-N 1 1 295.431 0.031 50 0 CCAAMO Cc1cnn(C[C@@H]2CCC[N@H+]2C[C@H](O)Cn2cccn2)c1 ZINC000070040159 348869614 /nfs/dbraw/zinc/86/96/14/348869614.db2.gz CWUCRLACRHTBTM-GJZGRUSLSA-N 1 1 289.383 0.914 50 0 CCAAMO Cc1cc(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)[nH]n1 ZINC000072269074 348918212 /nfs/dbraw/zinc/91/82/12/348918212.db2.gz OHJOFUZRQXGGCT-CHWSQXEVSA-N 1 1 278.356 0.389 50 0 CCAAMO Cc1cc(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)n[nH]1 ZINC000072269074 348918214 /nfs/dbraw/zinc/91/82/14/348918214.db2.gz OHJOFUZRQXGGCT-CHWSQXEVSA-N 1 1 278.356 0.389 50 0 CCAAMO Nc1ccc(N2CCN(c3ncnc4n[nH]cc43)CC2)c[nH+]1 ZINC000072275567 348919013 /nfs/dbraw/zinc/91/90/13/348919013.db2.gz YHCYSMJRICLQGH-UHFFFAOYSA-N 1 1 296.338 0.657 50 0 CCAAMO CCCCCNC(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000072302916 348920920 /nfs/dbraw/zinc/92/09/20/348920920.db2.gz CGEIHHUIYYIPPV-AWEZNQCLSA-N 1 1 287.404 0.559 50 0 CCAAMO C[C@H](O)C[NH+]1CCN(C(=O)c2ccc(N(C)C)nc2)CC1 ZINC000075131224 349024258 /nfs/dbraw/zinc/02/42/58/349024258.db2.gz ZZHVHZNPDLMIBF-LBPRGKRZSA-N 1 1 292.383 0.286 50 0 CCAAMO CC(C)c1noc(CCC(=O)N2CC[NH+](CCO)CC2)n1 ZINC000075572393 349038781 /nfs/dbraw/zinc/03/87/81/349038781.db2.gz BAWBYGYDPTTZNR-UHFFFAOYSA-N 1 1 296.371 0.262 50 0 CCAAMO O=C(CCc1nccs1)N1CC[NH+](CCO)CC1 ZINC000075572762 349038882 /nfs/dbraw/zinc/03/88/82/349038882.db2.gz QCKHKMLDQMBQEW-UHFFFAOYSA-N 1 1 269.370 0.212 50 0 CCAAMO CNc1nc(NCCCOC)[nH+]c(NCCCOC)n1 ZINC000079099282 349168043 /nfs/dbraw/zinc/16/80/43/349168043.db2.gz DNVUHGVJSJIUAG-UHFFFAOYSA-N 1 1 284.364 0.810 50 0 CCAAMO Cn1cc(C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cn1 ZINC000089755207 349405793 /nfs/dbraw/zinc/40/57/93/349405793.db2.gz VNABALGDGCCKKK-QWHCGFSZSA-N 1 1 278.356 0.091 50 0 CCAAMO C[N@H+]1CCN(Cc2ccc3nonc3c2)C[C@H]1CCO ZINC000104467060 186007949 /nfs/dbraw/zinc/00/79/49/186007949.db2.gz ZFMQHSCKYDSYDG-GFCCVEGCSA-N 1 1 276.340 0.721 50 0 CCAAMO CCc1c[nH+]c(N)nc1N(C)C[C@@H](C)N1CCOCC1 ZINC000091434699 180154392 /nfs/dbraw/zinc/15/43/92/180154392.db2.gz UWWJLYBQJKGYNH-LLVKDONJSA-N 1 1 279.388 0.778 50 0 CCAAMO CCC[N@@H+](CCO)CC(=O)N[C@H](C(=O)OC)[C@H](C)CC ZINC000106819411 186138192 /nfs/dbraw/zinc/13/81/92/186138192.db2.gz NTBXNJVQSDTMML-YPMHNXCESA-N 1 1 288.388 0.395 50 0 CCAAMO COC[C@H](C)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000107281719 186165670 /nfs/dbraw/zinc/16/56/70/186165670.db2.gz PBYVGFWACLTPJG-GJZGRUSLSA-N 1 1 297.443 0.897 50 0 CCAAMO OCCOCCN1CC[N@@H+](Cc2ccccc2)C[C@H](O)C1 ZINC000108262450 186209827 /nfs/dbraw/zinc/20/98/27/186209827.db2.gz OAKNBBSDJKQBOD-MRXNPFEDSA-N 1 1 294.395 0.174 50 0 CCAAMO OCCOCC[N@@H+]1CCN(Cc2ccccc2)C[C@H](O)C1 ZINC000108262450 186209829 /nfs/dbraw/zinc/20/98/29/186209829.db2.gz OAKNBBSDJKQBOD-MRXNPFEDSA-N 1 1 294.395 0.174 50 0 CCAAMO OCCOCC[N@H+]1CCN(Cc2ccccc2)C[C@H](O)C1 ZINC000108262450 186209830 /nfs/dbraw/zinc/20/98/30/186209830.db2.gz OAKNBBSDJKQBOD-MRXNPFEDSA-N 1 1 294.395 0.174 50 0 CCAAMO CC[N@H+]1CCC[C@H](CNS(=O)(=O)C[C@@H](C)OC)C1 ZINC000170620324 350849285 /nfs/dbraw/zinc/84/92/85/350849285.db2.gz RFUUNSGVMDZQJO-VXGBXAGGSA-N 1 1 278.418 0.673 50 0 CCAAMO CCOC[C@@H](O)C[N@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000195530243 351918710 /nfs/dbraw/zinc/91/87/10/351918710.db2.gz WGCZQURPWKONMU-KGLIPLIRSA-N 1 1 284.400 0.718 50 0 CCAAMO COC(=O)[C@]1(C)CC[N@@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000195564304 351919442 /nfs/dbraw/zinc/91/94/42/351919442.db2.gz LCVIBLULVYCUII-VXNVDRBHSA-N 1 1 255.236 0.795 50 0 CCAAMO CNC(=O)C[C@H](C)[N@H+](C)Cc1nccn1CCOC ZINC000215506438 351935433 /nfs/dbraw/zinc/93/54/33/351935433.db2.gz LACOBYPTAKORRV-NSHDSACASA-N 1 1 268.361 0.486 50 0 CCAAMO CNC(=O)C[C@H](C)[N@@H+](C)Cc1nccn1CCOC ZINC000215506438 351935435 /nfs/dbraw/zinc/93/54/35/351935435.db2.gz LACOBYPTAKORRV-NSHDSACASA-N 1 1 268.361 0.486 50 0 CCAAMO Cn1cncc1C[N@@H+]1CCCO[C@H](CN2CCOCC2)C1 ZINC000215594017 351936427 /nfs/dbraw/zinc/93/64/27/351936427.db2.gz OGMBFRUGLLBFBM-OAHLLOKOSA-N 1 1 294.399 0.343 50 0 CCAAMO Cn1cncc1C[N@H+]1CCCO[C@H](CN2CCOCC2)C1 ZINC000215594017 351936431 /nfs/dbraw/zinc/93/64/31/351936431.db2.gz OGMBFRUGLLBFBM-OAHLLOKOSA-N 1 1 294.399 0.343 50 0 CCAAMO CN(C)c1ncc(C[N@H+]2CCC[C@](O)(CO)CC2)cn1 ZINC000215803166 351937639 /nfs/dbraw/zinc/93/76/39/351937639.db2.gz OPGGIIJQUABMFF-CQSZACIVSA-N 1 1 280.372 0.252 50 0 CCAAMO Cc1nc(N)sc1C(=O)N[C@H]1C[C@H]2C[N@@H+](C)CCN2C1 ZINC000215723171 351937710 /nfs/dbraw/zinc/93/77/10/351937710.db2.gz VBEPWUUMYBEPOV-UWVGGRQHSA-N 1 1 295.412 0.152 50 0 CCAAMO Cc1nc(N)sc1C(=O)N[C@H]1C[C@H]2CN(C)CC[N@@H+]2C1 ZINC000215723171 351937711 /nfs/dbraw/zinc/93/77/11/351937711.db2.gz VBEPWUUMYBEPOV-UWVGGRQHSA-N 1 1 295.412 0.152 50 0 CCAAMO Cc1nc(N)sc1C(=O)N[C@H]1C[C@H]2CN(C)CC[N@H+]2C1 ZINC000215723171 351937716 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O=C([C@@H]1CNCCO1)N1CCC[N@@H+](C2CCCCC2)CC1 ZINC000534637670 328334198 /nfs/dbraw/zinc/33/41/98/328334198.db2.gz SXEDWZONHWBSHJ-HNNXBMFYSA-N 1 1 295.427 0.842 50 0 CCAAMO O=C([C@@H]1CNCCO1)N1CCC[N@H+](C2CCCCC2)CC1 ZINC000534637670 328334200 /nfs/dbraw/zinc/33/42/00/328334200.db2.gz SXEDWZONHWBSHJ-HNNXBMFYSA-N 1 1 295.427 0.842 50 0 CCAAMO C[NH+]1CCN(CCC(=O)NCc2cccc(CO)c2)CC1 ZINC000534640205 328335887 /nfs/dbraw/zinc/33/58/87/328335887.db2.gz TYEXPUWPHHPKNT-UHFFFAOYSA-N 1 1 291.395 0.433 50 0 CCAAMO CC[C@@H]1C(=O)NCC[N@H+]1C[C@H](OC)[C@@H]1CCOC1 ZINC000585094095 545102551 /nfs/dbraw/zinc/10/25/51/545102551.db2.gz AIEKOZFESKQKLV-UTUOFQBUSA-N 1 1 256.346 0.248 50 0 CCAAMO CC[C@@H]1C(=O)NCC[N@@H+]1C[C@H](OC)[C@@H]1CCOC1 ZINC000585094095 545102552 /nfs/dbraw/zinc/10/25/52/545102552.db2.gz AIEKOZFESKQKLV-UTUOFQBUSA-N 1 1 256.346 0.248 50 0 CCAAMO C[C@@H]1[C@H](C(=O)NC2(CO)CCSCC2)CC[N@H+]1C ZINC000585089854 545102622 /nfs/dbraw/zinc/10/26/22/545102622.db2.gz OXYNGKLQXKCDDU-GHMZBOCLSA-N 1 1 272.414 0.701 50 0 CCAAMO COCC[N@H+](C)CC(=O)N(C)Cc1c[nH]nc1C ZINC000670444650 545235551 /nfs/dbraw/zinc/23/55/51/545235551.db2.gz VXUWEOMYCCVPPZ-UHFFFAOYSA-N 1 1 254.334 0.255 50 0 CCAAMO COCC[N@@H+](C)CC(=O)N(C)Cc1c[nH]nc1C ZINC000670444650 545235552 /nfs/dbraw/zinc/23/55/52/545235552.db2.gz VXUWEOMYCCVPPZ-UHFFFAOYSA-N 1 1 254.334 0.255 50 0 CCAAMO CC[N@H+]1CCC[C@@H]1CN1CCc2c(c(C(N)=O)nn2C)C1 ZINC000670437699 545235056 /nfs/dbraw/zinc/23/50/56/545235056.db2.gz RTCWLNQORXFHAG-LLVKDONJSA-N 1 1 291.399 0.361 50 0 CCAAMO CSCCC(=O)N1CCC2(CC1)C(=O)NCCC[N@@H+]2C ZINC000670439708 545235141 /nfs/dbraw/zinc/23/51/41/545235141.db2.gz XVLAAJKZMCLQAL-UHFFFAOYSA-N 1 1 299.440 0.552 50 0 CCAAMO Cc1nn(CCO)c(C)c1C[N@H+](C)CC1(C)COC1 ZINC000670448369 545235755 /nfs/dbraw/zinc/23/57/55/545235755.db2.gz IJJQTDAFGGMSJR-UHFFFAOYSA-N 1 1 267.373 0.961 50 0 CCAAMO O=C(NCC[N@@H+]1CCCC[C@H]1CO)c1cc[nH]c1 ZINC000670450317 545235841 /nfs/dbraw/zinc/23/58/41/545235841.db2.gz UPSIGCFGZGHTPZ-LBPRGKRZSA-N 1 1 251.330 0.591 50 0 CCAAMO OCC[C@@H]1CN(c2ncc(F)cn2)CC[N@H+]1CC1CC1 ZINC000670448483 545235970 /nfs/dbraw/zinc/23/59/70/545235970.db2.gz NGPDIWPJSNQLEH-CYBMUJFWSA-N 1 1 280.347 0.899 50 0 CCAAMO CNC(=O)C[C@H]1CC[N@@H+](Cc2cnc(N(C)C)nc2)C1 ZINC000670469502 545237104 /nfs/dbraw/zinc/23/71/04/545237104.db2.gz IDQOUXLDTQEKFY-LLVKDONJSA-N 1 1 277.372 0.501 50 0 CCAAMO CCNC(=O)[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCCC2)C1 ZINC000670472350 545237211 /nfs/dbraw/zinc/23/72/11/545237211.db2.gz GIIABASPWFNNHX-GFCCVEGCSA-N 1 1 281.400 0.845 50 0 CCAAMO COc1ccnc(N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)n1 ZINC000252474439 537116850 /nfs/dbraw/zinc/11/68/50/537116850.db2.gz DPWMXEARYIONOI-QWRGUYRKSA-N 1 1 266.345 0.377 50 0 CCAAMO N[C@@H]1C[NH2+]CC[C@@H]1[C@@H]1CC[C@@H](C(F)(F)F)NC1 ZINC000757215685 581699051 /nfs/dbraw/zinc/69/90/51/581699051.db2.gz WYYGDDNDDMKZKV-KYXWUPHJSA-N 1 1 251.296 0.854 50 0 CCAAMO C[C@@H]1C(=O)NCCN1c1nc(N)cc(C(C)(C)C)[nH+]1 ZINC000888097612 631291813 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CCCc1cc(CNC(=O)[C@@H]2[NH2+]CCc3nc[nH]c32)on1 ZINC000823009628 821501753 /nfs/dbraw/zinc/50/17/53/821501753.db2.gz CRDQXNMYJKGZPY-CYBMUJFWSA-N 1 1 289.339 0.853 50 0 CCAAMO CC[N@H+]1CCC[C@H](CN2CC[NH+](CCC(=O)[O-])CC2)C1 ZINC000823109861 821508616 /nfs/dbraw/zinc/50/86/16/821508616.db2.gz DCTUPCRJLQKPRH-AWEZNQCLSA-N 1 1 283.416 0.811 50 0 CCAAMO CCS(=O)(=O)NC[C@H](C)NCC1([NH+](C)C)CCCC1 ZINC000823412692 821519558 /nfs/dbraw/zinc/51/95/58/821519558.db2.gz FHIBPJNHAWLIDA-LBPRGKRZSA-N 1 1 291.461 0.778 50 0 CCAAMO CC(C)[N@H+]1CC[C@H](CN(C)CC(=O)N2CCOCC2)C1 ZINC000823676262 821531062 /nfs/dbraw/zinc/53/10/62/821531062.db2.gz PUKKQPGTURGMTL-CQSZACIVSA-N 1 1 283.416 0.507 50 0 CCAAMO Cc1ccc(OCCS(=O)(=O)N[C@@H]2CC[N@H+](C)C2)cc1 ZINC000823755238 821535659 /nfs/dbraw/zinc/53/56/59/821535659.db2.gz SYMFQZFKPCPKGN-CYBMUJFWSA-N 1 1 298.408 0.997 50 0 CCAAMO COCCN(C)CC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000824405756 821630172 /nfs/dbraw/zinc/63/01/72/821630172.db2.gz UYUQMRUOPGJNLI-CYBMUJFWSA-N 1 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0.627 50 0 CCAAMO CC(C)(C)[N@H+]1CC[C@@H](NS(=O)(=O)c2cn[nH]c2)C1 ZINC000693882685 811171509 /nfs/dbraw/zinc/17/15/09/811171509.db2.gz LIWVNAADEOKMJZ-SECBINFHSA-N 1 1 272.374 0.561 50 0 CCAAMO C[C@H](CS(C)(=O)=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC000426498807 812839301 /nfs/dbraw/zinc/83/93/01/812839301.db2.gz ZRDNPTCRKUHPGD-GFCCVEGCSA-N 1 1 274.430 0.885 50 0 CCAAMO [NH3+]CC[C@@H]1CN(C2CSCCSC2)CCO1 ZINC000426707190 812984831 /nfs/dbraw/zinc/98/48/31/812984831.db2.gz KYNOEBZXBVRZEP-LLVKDONJSA-N 1 1 262.444 0.885 50 0 CCAAMO CC(C)[N@H+](C)C[C@H](C)NCCC1N=NC(=O)N1C ZINC000821197317 821456393 /nfs/dbraw/zinc/45/63/93/821456393.db2.gz RFWANBAHKASLLC-JTQLQIEISA-N 1 1 255.366 0.382 50 0 CCAAMO CC(C)[N@@H+](C)C[C@H](C)NCCC1N=NC(=O)N1C ZINC000821197317 821456388 /nfs/dbraw/zinc/45/63/88/821456388.db2.gz RFWANBAHKASLLC-JTQLQIEISA-N 1 1 255.366 0.382 50 0 CCAAMO Cc1c[nH]c([C@@H](C)NC(=O)CN2CCC[N@@H+](C)CC2)n1 ZINC000823778336 821536898 /nfs/dbraw/zinc/53/68/98/821536898.db2.gz DWHDEPKFZAZLPN-GFCCVEGCSA-N 1 1 279.388 0.533 50 0 CCAAMO C[N@H+]1CCCCC[C@@H]1C(=O)NCCCN1CCCC1=O ZINC000823778697 821537409 /nfs/dbraw/zinc/53/74/09/821537409.db2.gz ZOUOIYDFWYGCJQ-CYBMUJFWSA-N 1 1 281.400 0.990 50 0 CCAAMO O=C(NCC[N@@H+]1CCC[C@@H](CO)C1)C1CC=CC1 ZINC000828711102 821813078 /nfs/dbraw/zinc/81/30/78/821813078.db2.gz DNSFLKYVVNGJRI-GFCCVEGCSA-N 1 1 252.358 0.773 50 0 CCAAMO CN(C)c1nccnc1NCC[N@H+]1CCC[C@@H](CO)C1 ZINC000828711228 821813930 /nfs/dbraw/zinc/81/39/30/821813930.db2.gz SUJJZMGFVWNSFV-GFCCVEGCSA-N 1 1 279.388 0.659 50 0 CCAAMO Cc1c[nH]c(C[N@@H+]2C[C@@H]3C[C@H](O)[C@@H](O)C[C@@H]3C2)n1 ZINC000828901973 821844406 /nfs/dbraw/zinc/84/44/06/821844406.db2.gz IAMGQLIFTHOTOG-USZNOCQGSA-N 1 1 251.330 0.282 50 0 CCAAMO COCC(=O)N[C@@H]1C[N@H+](Cc2cccnc2)CC[C@@H]1CO ZINC000581799324 822278524 /nfs/dbraw/zinc/27/85/24/822278524.db2.gz QOTDBTFAYLJBDE-ZIAGYGMSSA-N 1 1 293.367 0.027 50 0 CCAAMO COCC(=O)N[C@@H]1C[N@@H+](Cc2cccnc2)CC[C@@H]1CO ZINC000581799324 822278536 /nfs/dbraw/zinc/27/85/36/822278536.db2.gz QOTDBTFAYLJBDE-ZIAGYGMSSA-N 1 1 293.367 0.027 50 0 CCAAMO CCc1nsc(N2CC[NH+](C[C@@H](O)COC)CC2)n1 ZINC000096441692 230372985 /nfs/dbraw/zinc/37/29/85/230372985.db2.gz FZKSPUDSJCDUFJ-SNVBAGLBSA-N 1 1 286.401 0.230 50 0 CCAAMO O[C@H](Cn1cnnc1)C[N@H+]1CCc2ccccc2C1 ZINC000096484675 230381089 /nfs/dbraw/zinc/38/10/89/230381089.db2.gz NQEHBTVJKZILNJ-AWEZNQCLSA-N 1 1 258.325 0.697 50 0 CCAAMO CCc1c(C)nc(N)nc1N[C@H]1C[N@@H+](C(C)C)C[C@@H]1O ZINC000095391373 349606976 /nfs/dbraw/zinc/60/69/76/349606976.db2.gz OESHQTDCDHNREJ-RYUDHWBXSA-N 1 1 279.388 0.795 50 0 CCAAMO CCc1c(C)nc(N)nc1N[C@H]1C[N@H+](C(C)C)C[C@@H]1O ZINC000095391373 349606978 /nfs/dbraw/zinc/60/69/78/349606978.db2.gz OESHQTDCDHNREJ-RYUDHWBXSA-N 1 1 279.388 0.795 50 0 CCAAMO CS[C@H](CO)[C@H](C)NC(=O)C[N@H+]1CCC[C@H]1C ZINC000095445645 349611933 /nfs/dbraw/zinc/61/19/33/349611933.db2.gz HKQDFKHOJSIGQB-OUAUKWLOSA-N 1 1 260.403 0.699 50 0 CCAAMO CCn1cc[nH+]c1Cn1cc(C(C)=O)c(=O)n(C)c1=O ZINC000097014359 185151690 /nfs/dbraw/zinc/15/16/90/185151690.db2.gz ZRNZUSJDZPVSHE-UHFFFAOYSA-N 1 1 276.296 0.014 50 0 CCAAMO Cn1c(N)c(C[N@@H+](C)Cc2ccccc2)c(=O)[nH]c1=O ZINC000097166261 349630862 /nfs/dbraw/zinc/63/08/62/349630862.db2.gz ZKKWTRMJTJLSFX-UHFFFAOYSA-N 1 1 274.324 0.288 50 0 CCAAMO CCOCC[N@H+]1CCN(Cc2c(C)cnn2C)C[C@H](O)C1 ZINC000097732657 349647022 /nfs/dbraw/zinc/64/70/22/349647022.db2.gz KMPRJEQNDPIHJB-CQSZACIVSA-N 1 1 296.415 0.244 50 0 CCAAMO CC[N@H+]1C[C@H](C)[C@H](NS(=O)(=O)N(C)[C@H](C)C2CC2)C1 ZINC000107059014 349735967 /nfs/dbraw/zinc/73/59/67/349735967.db2.gz TYWBKDYJKFBBMN-DMDPSCGWSA-N 1 1 289.445 0.891 50 0 CCAAMO CC[C@H](C(N)=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119751232 349952136 /nfs/dbraw/zinc/95/21/36/349952136.db2.gz LLVUMWWIXWIVBW-IZGVIRRGSA-N 1 1 294.443 0.493 50 0 CCAAMO COCC(=O)N1CCC(C[N@H+]2CCN(C)C[C@@H]2C)CC1 ZINC000085468057 179073387 /nfs/dbraw/zinc/07/33/87/179073387.db2.gz RPLSEBHFIUYWPP-ZDUSSCGKSA-N 1 1 283.416 0.507 50 0 CCAAMO COc1cc[nH+]c(N2CC[NH+]([C@@H](C)C(=O)[O-])CC2)c1 ZINC000237358689 136534522 /nfs/dbraw/zinc/53/45/22/136534522.db2.gz ASYWZTISVMYWNV-JTQLQIEISA-N 1 1 265.313 0.685 50 0 CCAAMO COc1ccc(C[NH2+][C@@H]2CCS(=O)(=O)C2)c(OC)c1 ZINC000019899699 348072940 /nfs/dbraw/zinc/07/29/40/348072940.db2.gz HOFGZOPIJWCTCQ-LLVKDONJSA-N 1 1 285.365 0.981 50 0 CCAAMO C[C@@H]1C[C@H](C)C[N@@H+](Cc2nc(N)nc(N(C)C)n2)C1 ZINC000014245112 348034590 /nfs/dbraw/zinc/03/45/90/348034590.db2.gz XCUJQKCZUHQRMB-AOOOYVTPSA-N 1 1 264.377 0.998 50 0 in-vitro CCAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2nc(N)nc(N(C)C)n2)C1 ZINC000014245112 348034592 /nfs/dbraw/zinc/03/45/92/348034592.db2.gz XCUJQKCZUHQRMB-AOOOYVTPSA-N 1 1 264.377 0.998 50 0 in-vitro CCAAMO NS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000014248157 348034616 /nfs/dbraw/zinc/03/46/16/348034616.db2.gz PSSSWGGSQLFMFQ-GFCCVEGCSA-N 1 1 254.355 0.940 50 0 CCAAMO COC(=O)[C@@H]1[C@H](C(=O)OC)[C@@H]2CCC[N@H+]2C1(C)C ZINC000014987432 348037732 /nfs/dbraw/zinc/03/77/32/348037732.db2.gz QZOLDQZLTJTYLN-AEJSXWLSSA-N 1 1 255.314 0.821 50 0 CCAAMO C[C@H](Sc1nc(N)cc(N)[nH+]1)C(=O)NC[C@H]1CCCO1 ZINC000018541032 348057068 /nfs/dbraw/zinc/05/70/68/348057068.db2.gz KSFVOFUKOGMVJQ-JGVFFNPUSA-N 1 1 297.384 0.417 50 0 CCAAMO Cc1nn(C)c(C)c1CCC(=O)N1CC[NH+](C)CC1 ZINC000032873693 348140439 /nfs/dbraw/zinc/14/04/39/348140439.db2.gz FFWLPFMPEYKCTN-UHFFFAOYSA-N 1 1 264.373 0.744 50 0 CCAAMO COc1ccc(Cl)cc1S(=O)(=O)N1CC[NH2+]CC1 ZINC000034682023 348151407 /nfs/dbraw/zinc/15/14/07/348151407.db2.gz AROSEUNOEYMHLM-UHFFFAOYSA-N 1 1 290.772 0.943 50 0 CCAAMO O=S(=O)(c1c[nH]c2ncccc12)N1CC[NH2+]CC1 ZINC000036379780 348166522 /nfs/dbraw/zinc/16/65/22/348166522.db2.gz VTMBSTPGBSMDNH-UHFFFAOYSA-N 1 1 266.326 0.157 50 0 CCAAMO Cn1c(=O)cc(C[N@H+](C)Cc2ccsc2)n(C)c1=O ZINC000056705559 348594156 /nfs/dbraw/zinc/59/41/56/348594156.db2.gz LBHLDECAZSTHNH-UHFFFAOYSA-N 1 1 279.365 0.778 50 0 CCAAMO Cn1c(=O)cc(C[N@@H+](C)Cc2ccsc2)n(C)c1=O ZINC000056705559 348594160 /nfs/dbraw/zinc/59/41/60/348594160.db2.gz LBHLDECAZSTHNH-UHFFFAOYSA-N 1 1 279.365 0.778 50 0 CCAAMO Cc1cc(C[C@H](C)[NH2+]CC(=O)Nc2cnccn2)n[nH]1 ZINC000065385086 348712969 /nfs/dbraw/zinc/71/29/69/348712969.db2.gz UVBVRWDMMNDPBW-VIFPVBQESA-N 1 1 274.328 0.667 50 0 CCAAMO CC(C)[N@H+]1CC[C@H](CNC(=O)c2cnn(C)c2)C1 ZINC000065476095 348718017 /nfs/dbraw/zinc/71/80/17/348718017.db2.gz WKOIDJWIUYYKGD-LLVKDONJSA-N 1 1 250.346 0.880 50 0 CCAAMO CC(C)c1nnsc1C[NH+]1CCC(O)(CO)CC1 ZINC000067855881 348787334 /nfs/dbraw/zinc/78/73/34/348787334.db2.gz SGVGTBHZQRFUDO-UHFFFAOYSA-N 1 1 271.386 0.981 50 0 CCAAMO C[N@H+]1CCC[C@@H](CNC(=O)C(=O)c2ccco2)C1 ZINC000067954559 348791151 /nfs/dbraw/zinc/79/11/51/348791151.db2.gz IUJLEVITAWGZQL-JTQLQIEISA-N 1 1 250.298 0.920 50 0 CCAAMO CCOC(=O)c1nn(CC[NH+](C)C)c2c1CNCC2 ZINC000067966451 348792194 /nfs/dbraw/zinc/79/21/94/348792194.db2.gz FMYLEMQGBKXYHY-UHFFFAOYSA-N 1 1 266.345 0.267 50 0 CCAAMO COCC[N@H+](CCOc1ccc(C)cc1)CC(N)=O ZINC000069347867 348841584 /nfs/dbraw/zinc/84/15/84/348841584.db2.gz YTDXWSOBNRUTDV-UHFFFAOYSA-N 1 1 266.341 0.808 50 0 CCAAMO COCC[N@@H+](CCOc1ccc(C)cc1)CC(N)=O ZINC000069347867 348841587 /nfs/dbraw/zinc/84/15/87/348841587.db2.gz YTDXWSOBNRUTDV-UHFFFAOYSA-N 1 1 266.341 0.808 50 0 CCAAMO CCn1ccnc1CN1CC[NH+](CCn2cncn2)CC1 ZINC000069415343 348844822 /nfs/dbraw/zinc/84/48/22/348844822.db2.gz QAKUVUFEBTVXRR-UHFFFAOYSA-N 1 1 289.387 0.312 50 0 CCAAMO CC[N@@H+]1CCO[C@@H](CNc2cc(C)nc3ncnn32)C1 ZINC000069658703 348857470 /nfs/dbraw/zinc/85/74/70/348857470.db2.gz WMZVYGCUDGNTER-NSHDSACASA-N 1 1 276.344 0.565 50 0 CCAAMO CC[N@H+]1CCO[C@@H](CNc2cc(C)nc3ncnn32)C1 ZINC000069658703 348857473 /nfs/dbraw/zinc/85/74/73/348857473.db2.gz WMZVYGCUDGNTER-NSHDSACASA-N 1 1 276.344 0.565 50 0 CCAAMO CC[C@@H]1CN(Cc2noc(C)n2)CC[N@H+]1CCOC ZINC000069739234 348859905 /nfs/dbraw/zinc/85/99/05/348859905.db2.gz NUAVSCOJUHICNC-GFCCVEGCSA-N 1 1 268.361 0.921 50 0 CCAAMO CC[C@H](O)C[NH+]1CCN(C(=O)C[C@H](C)OC)CC1 ZINC000069950953 348868133 /nfs/dbraw/zinc/86/81/33/348868133.db2.gz DGTTYMBHYWSJSS-RYUDHWBXSA-N 1 1 258.362 0.327 50 0 CCAAMO CN1CCCN(C(=O)[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000070252174 348881588 /nfs/dbraw/zinc/88/15/88/348881588.db2.gz CVLCVHMEXQBNFP-GFCCVEGCSA-N 1 1 251.374 0.540 50 0 CCAAMO O=C(NC1CC1)[C@@H]1CN(c2ccncc2F)CC[NH2+]1 ZINC000072167890 348915681 /nfs/dbraw/zinc/91/56/81/348915681.db2.gz NDSYTHJATWHNOA-NSHDSACASA-N 1 1 264.304 0.278 50 0 CCAAMO C[C@@H](CNC(=O)NCc1ncnn1C)[N@@H+](C)C1CC1 ZINC000074100217 348973838 /nfs/dbraw/zinc/97/38/38/348973838.db2.gz CXDGOZRJTPBIJE-VIFPVBQESA-N 1 1 266.349 0.097 50 0 CCAAMO C[N@@H+]1CC[C@H](C(=O)N2CCN(C[C@@H](O)C(C)(C)C)CC2)C1 ZINC000075603853 349040735 /nfs/dbraw/zinc/04/07/35/349040735.db2.gz ZEABNPCPMFQIIB-UONOGXRCSA-N 1 1 297.443 0.489 50 0 CCAAMO C[N@H+]1CC[C@H](C(=O)N2CCN(C[C@@H](O)C(C)(C)C)CC2)C1 ZINC000075603853 349040737 /nfs/dbraw/zinc/04/07/37/349040737.db2.gz ZEABNPCPMFQIIB-UONOGXRCSA-N 1 1 297.443 0.489 50 0 CCAAMO CCCCN(C)S(=O)(=O)N[C@H]1C[N@@H+](CC)C[C@@H]1C ZINC000076058571 349066420 /nfs/dbraw/zinc/06/64/20/349066420.db2.gz YSHUOSFXQQEVMO-RYUDHWBXSA-N 1 1 277.434 0.893 50 0 CCAAMO Cc1cc(C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)on1 ZINC000078788956 349153155 /nfs/dbraw/zinc/15/31/55/349153155.db2.gz OEMPCYNSJDEPAO-NEPJUHHUSA-N 1 1 279.340 0.654 50 0 CCAAMO Cn1nccc1C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000078788865 349153259 /nfs/dbraw/zinc/15/32/59/349153259.db2.gz AWMCJHYZFFAAQY-DGCLKSJQSA-N 1 1 278.356 0.091 50 0 CCAAMO c1cnnc(NC[C@H]2C[N@@H+](C[C@@H]3CCOC3)CCO2)c1 ZINC000078893475 349158965 /nfs/dbraw/zinc/15/89/65/349158965.db2.gz JUJWGPRFHCYFFI-STQMWFEESA-N 1 1 278.356 0.626 50 0 CCAAMO O=C(C[N@@H+]1CC[C@H](N2CCOCC2)C1)NC1CCCC1 ZINC000084543866 349323142 /nfs/dbraw/zinc/32/31/42/349323142.db2.gz ZSWTYSRZSGXOKC-AWEZNQCLSA-N 1 1 281.400 0.452 50 0 CCAAMO O=C(C[N@H+]1CC[C@H](N2CCOCC2)C1)NC1CCCC1 ZINC000084543866 349323144 /nfs/dbraw/zinc/32/31/44/349323144.db2.gz ZSWTYSRZSGXOKC-AWEZNQCLSA-N 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HLGKTOOHRLXZBW-UHFFFAOYSA-N 1 1 281.316 0.054 50 0 CCAAMO CC(C)N(C)S(=O)(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000048275520 411656485 /nfs/dbraw/zinc/65/64/85/411656485.db2.gz KDYDEFQTULQMAP-NWDGAFQWSA-N 1 1 275.418 0.788 50 0 CCAAMO Nc1nc(NCc2ccccn2)cc([C@H]2CCOC2)[nH+]1 ZINC000426477160 411818181 /nfs/dbraw/zinc/81/81/81/411818181.db2.gz FSCGINYIVSKTOV-JTQLQIEISA-N 1 1 271.324 0.992 50 0 CCAAMO Nc1nc(NC2CCOCC2)cc([C@@H]2CCOC2)[nH+]1 ZINC000426493874 411819614 /nfs/dbraw/zinc/81/96/14/411819614.db2.gz ADHGVBIGBYFSKO-SECBINFHSA-N 1 1 264.329 0.576 50 0 CCAAMO Nc1ncc(C(=O)NCCC[N@H+]2CCC[C@H](CO)C2)s1 ZINC000584888004 411834957 /nfs/dbraw/zinc/83/49/57/411834957.db2.gz WWEQOJGNVNUKKU-JTQLQIEISA-N 1 1 298.412 0.550 50 0 CCAAMO Cc1noc2ncnc(NCCCN3CC[NH+](C)CC3)c12 ZINC000020575144 171255879 /nfs/dbraw/zinc/25/58/79/171255879.db2.gz UNMKIXIWUIFECJ-UHFFFAOYSA-N 1 1 290.371 0.976 50 0 CCAAMO CN(C[C@H]1CCCC[N@H+]1C)C(=O)c1ccc[n+]([O-])c1 ZINC000020997532 171284392 /nfs/dbraw/zinc/28/43/92/171284392.db2.gz HLLRMMQIGFBCIN-CYBMUJFWSA-N 1 1 263.341 0.876 50 0 CCAAMO C[C@@H]1CCC[C@@H]1OC[C@H](O)CN1CC[NH+](CCO)CC1 ZINC000022823105 171399999 /nfs/dbraw/zinc/39/99/99/171399999.db2.gz CYSUXZOTEMFZIJ-KFWWJZLASA-N 1 1 286.416 0.162 50 0 CCAAMO COc1ccc(C)cc1S(=O)(=O)N1CC[NH2+]CC1 ZINC000035397960 172176924 /nfs/dbraw/zinc/17/69/24/172176924.db2.gz OTZDJRLJTNJMBN-UHFFFAOYSA-N 1 1 270.354 0.598 50 0 CCAAMO Cc1[nH+]ccn1CCNC(=O)C(=O)NCc1cccs1 ZINC000038945972 174159956 /nfs/dbraw/zinc/15/99/56/174159956.db2.gz IRSAGHYNZLJHGJ-UHFFFAOYSA-N 1 1 292.364 0.686 50 0 CCAAMO C[C@@H](C(=O)N(C)C1CCCCC1)N1CC[NH+](CCO)CC1 ZINC000043305498 175003326 /nfs/dbraw/zinc/00/33/26/175003326.db2.gz WLSOEUMPDSSQGC-AWEZNQCLSA-N 1 1 297.443 0.776 50 0 CCAAMO Cc1c(C(=O)NCCC[NH+]2CCOCC2)cnn1C ZINC000044893641 175273657 /nfs/dbraw/zinc/27/36/57/175273657.db2.gz AJIOYJICVIBBQL-UHFFFAOYSA-N 1 1 266.345 0.181 50 0 CCAAMO Cn1cc([C@@H]2CCC[N@H+]2CCC(=O)N2CCOCC2)cn1 ZINC000071797201 176264938 /nfs/dbraw/zinc/26/49/38/176264938.db2.gz GGXSPSSODSCLNZ-AWEZNQCLSA-N 1 1 292.383 0.806 50 0 CCAAMO C[C@@H](O)CN1CC[NH+](C[C@@H](O)COCc2ccco2)CC1 ZINC000071847294 176275820 /nfs/dbraw/zinc/27/58/20/176275820.db2.gz HKJSFHJOHDDRBS-ZIAGYGMSSA-N 1 1 298.383 0.156 50 0 CCAAMO C[C@@H](O)C[N@H+]1CCN(CC(=O)Nc2cccnc2)C[C@H]1C ZINC000071864632 176281067 /nfs/dbraw/zinc/28/10/67/176281067.db2.gz HUORSKQOEYUPBQ-CHWSQXEVSA-N 1 1 292.383 0.407 50 0 CCAAMO Cc1ccoc1C(=O)N1CC[NH2+]C[C@@H]1C(=O)NC1CC1 ZINC000072156552 176328783 /nfs/dbraw/zinc/32/87/83/176328783.db2.gz NJNVKZBTQKROJG-LLVKDONJSA-N 1 1 277.324 0.281 50 0 CCAAMO Cn1nc2c(cc1=O)C[N@H+](CCc1ccccn1)CC2 ZINC000072302366 176365576 /nfs/dbraw/zinc/36/55/76/176365576.db2.gz JSJBOFRVICWTNN-UHFFFAOYSA-N 1 1 270.336 0.776 50 0 CCAAMO Cc1[nH+]ccn1-c1ccc(NC(=O)[C@H]2CC(=O)N(C)C2)cn1 ZINC000072406117 176397664 /nfs/dbraw/zinc/39/76/64/176397664.db2.gz ONARUXGRFYUOTM-NSHDSACASA-N 1 1 299.334 0.993 50 0 CCAAMO C[C@H](C(=O)NC(=O)NC1CCCC1)[N@H+]1CCC[C@H](O)C1 ZINC000052635885 544439737 /nfs/dbraw/zinc/43/97/37/544439737.db2.gz MTTACAOBNOBNHV-PWSUYJOCSA-N 1 1 283.372 0.600 50 0 CCAAMO C[C@@H]1C[N@@H+](C)C[C@@H]1NS(=O)(=O)c1ccccc1 ZINC000084714582 544492176 /nfs/dbraw/zinc/49/21/76/544492176.db2.gz ZFXDABMAYFZMKJ-PWSUYJOCSA-N 1 1 254.355 0.915 50 0 CCAAMO OCCNc1nc(N2CCCC2)nc(N2CCCC2)[nH+]1 ZINC000002581557 275047631 /nfs/dbraw/zinc/04/76/31/275047631.db2.gz BOAWPGVFGGCCON-UHFFFAOYSA-N 1 1 278.360 0.476 50 0 CCAAMO CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC000049078107 277200425 /nfs/dbraw/zinc/20/04/25/277200425.db2.gz HHECYZVBTWRMPD-SNVBAGLBSA-N 1 1 271.361 0.708 50 0 CCAAMO CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC000049078107 277200427 /nfs/dbraw/zinc/20/04/27/277200427.db2.gz HHECYZVBTWRMPD-SNVBAGLBSA-N 1 1 271.361 0.708 50 0 CCAAMO CC[C@H]1C[N@H+](C[C@H]2CCCN(S(C)(=O)=O)C2)CCO1 ZINC000245304973 281169453 /nfs/dbraw/zinc/16/94/53/281169453.db2.gz HITVGYKIGFJMSN-OLZOCXBDSA-N 1 1 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CC(C)(CN1C[C@@H](O)[C@H](F)C1)C[NH+]1CCOCC1 ZINC000952969284 614090683 /nfs/dbraw/zinc/09/06/83/614090683.db2.gz MWYVRUDHTCQCBZ-VXGBXAGGSA-N 1 1 260.353 0.359 50 0 CCAAMO CCn1ncnc1CNCC[N@H+]1CCCC[C@@H]1CO ZINC000952972480 615736556 /nfs/dbraw/zinc/73/65/56/615736556.db2.gz UXPRFQBKJIHWME-GFCCVEGCSA-N 1 1 267.377 0.234 50 0 CCAAMO CCn1cc(CNCC[N@@H+]2CCCC[C@H]2CO)cn1 ZINC000952967262 615996825 /nfs/dbraw/zinc/99/68/25/615996825.db2.gz LEJCVLOROJBJSG-AWEZNQCLSA-N 1 1 266.389 0.839 50 0 CCAAMO CCn1cc(CNCC[N@H+]2CCCC[C@H]2CO)cn1 ZINC000952967262 615996828 /nfs/dbraw/zinc/99/68/28/615996828.db2.gz LEJCVLOROJBJSG-AWEZNQCLSA-N 1 1 266.389 0.839 50 0 CCAAMO OCC[C@@H]1CN(CCc2cn[nH]c2)CC[N@H+]1CC1CC1 ZINC000299795268 625663574 /nfs/dbraw/zinc/66/35/74/625663574.db2.gz LTOMFKGJGYFARQ-OAHLLOKOSA-N 1 1 278.400 0.731 50 0 CCAAMO NS(=O)(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccco1 ZINC000888096161 631290586 /nfs/dbraw/zinc/29/05/86/631290586.db2.gz MMAHBSCRHJCHON-JTQLQIEISA-N 1 1 258.343 0.923 50 0 CCAAMO NS(=O)(=O)C[C@@H]1CCCC[N@H+]1Cc1ccco1 ZINC000888096161 631290587 /nfs/dbraw/zinc/29/05/87/631290587.db2.gz MMAHBSCRHJCHON-JTQLQIEISA-N 1 1 258.343 0.923 50 0 CCAAMO CO[C@H]1C[N@@H+](C(C)C)C[C@@H]1NC(=O)C(=O)c1cccnc1 ZINC000299781437 632873014 /nfs/dbraw/zinc/87/30/14/632873014.db2.gz DOCJUACFVPQJSZ-STQMWFEESA-N 1 1 291.351 0.488 50 0 CCAAMO CO[C@H]1C[N@H+](C(C)C)C[C@@H]1NC(=O)C(=O)c1cccnc1 ZINC000299781437 632873018 /nfs/dbraw/zinc/87/30/18/632873018.db2.gz DOCJUACFVPQJSZ-STQMWFEESA-N 1 1 291.351 0.488 50 0 CCAAMO CC(C)n1cnnc1[C@@H](C)NC(=O)C[NH+]1CCC(O)CC1 ZINC000299785764 632875735 /nfs/dbraw/zinc/87/57/35/632875735.db2.gz KLMCGZYXTAKLMT-LLVKDONJSA-N 1 1 295.387 0.493 50 0 CCAAMO CCc1nnc(NC2CC[NH+](CC(=O)NC3CC3)CC2)o1 ZINC000095392298 649756597 /nfs/dbraw/zinc/75/65/97/649756597.db2.gz RYASUDHMAKTZSN-UHFFFAOYSA-N 1 1 293.371 0.787 50 0 CCAAMO CC(C)[N@@H+](C)C[C@@H](C)NCCC1N=NC(=O)N1C ZINC000821197320 821457048 /nfs/dbraw/zinc/45/70/48/821457048.db2.gz RFWANBAHKASLLC-SNVBAGLBSA-N 1 1 255.366 0.382 50 0 CCAAMO CC(C)[N@H+](C)C[C@@H](C)NCCC1N=NC(=O)N1C ZINC000821197320 821457054 /nfs/dbraw/zinc/45/70/54/821457054.db2.gz RFWANBAHKASLLC-SNVBAGLBSA-N 1 1 255.366 0.382 50 0 CCAAMO Cc1[nH+]cn(CCNS(=O)(=O)N2CCCC2)c1C ZINC000825262053 821650984 /nfs/dbraw/zinc/65/09/84/821650984.db2.gz DTXKGVLEMOFWNH-UHFFFAOYSA-N 1 1 272.374 0.430 50 0 CCAAMO Cc1nnc([C@@H]2CCC[N@@H+](CCn3cnnc3)C2)[nH]1 ZINC000825262133 821651287 /nfs/dbraw/zinc/65/12/87/821651287.db2.gz LEGAAJMYWGMVSB-LLVKDONJSA-N 1 1 261.333 0.584 50 0 CCAAMO Cc1n[nH]c([C@@H]2CCC[N@H+](CCn3cnnc3)C2)n1 ZINC000825262133 821651291 /nfs/dbraw/zinc/65/12/91/821651291.db2.gz LEGAAJMYWGMVSB-LLVKDONJSA-N 1 1 261.333 0.584 50 0 CCAAMO Cc1n[nH]c([C@@H]2CCC[N@@H+](CCn3cnnc3)C2)n1 ZINC000825262133 821651294 /nfs/dbraw/zinc/65/12/94/821651294.db2.gz LEGAAJMYWGMVSB-LLVKDONJSA-N 1 1 261.333 0.584 50 0 CCAAMO Cc1nc([C@@H]2CCC[N@H+](CCn3cnnc3)C2)n[nH]1 ZINC000825262133 821651296 /nfs/dbraw/zinc/65/12/96/821651296.db2.gz LEGAAJMYWGMVSB-LLVKDONJSA-N 1 1 261.333 0.584 50 0 CCAAMO Cc1nc([C@@H]2CCC[N@@H+](CCn3cnnc3)C2)n[nH]1 ZINC000825262133 821651299 /nfs/dbraw/zinc/65/12/99/821651299.db2.gz LEGAAJMYWGMVSB-LLVKDONJSA-N 1 1 261.333 0.584 50 0 CCAAMO C[N@@H+](CCN1CCOCC1)CC1(CO)CCCC1 ZINC000828686765 821804206 /nfs/dbraw/zinc/80/42/06/821804206.db2.gz SOEODHSUULJPRJ-UHFFFAOYSA-N 1 1 256.390 0.803 50 0 CCAAMO O=C(Cc1ccncc1)NCC[N@@H+]1CCC[C@H](CO)C1 ZINC000828711116 821812513 /nfs/dbraw/zinc/81/25/13/821812513.db2.gz GEOMEHMHGUBCDQ-AWEZNQCLSA-N 1 1 277.368 0.445 50 0 CCAAMO C[N@@H+]1CCCCC[C@@H]1c1nc(CC(N)=O)nn1CCCO ZINC000828754134 821828661 /nfs/dbraw/zinc/82/86/61/821828661.db2.gz CBAQSPQTOITVOR-LLVKDONJSA-N 1 1 295.387 0.235 50 0 CCAAMO C[N@H+]1CCCCC[C@@H]1c1nc(CC(N)=O)nn1CCCO ZINC000828754134 821828667 /nfs/dbraw/zinc/82/86/67/821828667.db2.gz CBAQSPQTOITVOR-LLVKDONJSA-N 1 1 295.387 0.235 50 0 CCAAMO C/C=C/CC(=O)N1CCC(N2CC[NH+](CCO)CC2)CC1 ZINC000828760423 821833468 /nfs/dbraw/zinc/83/34/68/821833468.db2.gz KHPJOEWVAWUUNB-NSCUHMNNSA-N 1 1 295.427 0.554 50 0 CCAAMO COCCC(=O)N1CCN(CC2=CCC[N@@H+](C)C2)CC1 ZINC000065433164 822285597 /nfs/dbraw/zinc/28/55/97/822285597.db2.gz RMFXXNPPRKZPOR-UHFFFAOYSA-N 1 1 281.400 0.429 50 0 CCAAMO NC(=O)[C@@H]1C[N@@H+](C[C@H]2CC3CCC2CC3)CCO1 ZINC000585116973 839606032 /nfs/dbraw/zinc/60/60/32/839606032.db2.gz NYQDIUHJMNGTGI-TUUUFIMRSA-N 1 1 252.358 0.999 50 0 CCAAMO CC(C)=CC[NH+]1CCC2(CC1)CN(C[C@H](O)CO)CCO2 ZINC000952860018 841569585 /nfs/dbraw/zinc/56/95/85/841569585.db2.gz UPMIOERMYHHKHA-HNNXBMFYSA-N 1 1 298.427 0.473 50 0 CCAAMO Cc1nccc(C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)n1 ZINC000095950854 185039011 /nfs/dbraw/zinc/03/90/11/185039011.db2.gz TVBLLRPVHFGESU-KGLIPLIRSA-N 1 1 290.367 0.456 50 0 CCAAMO CNC(=O)[C@@H]1C[N@@H+](Cc2cccc(OC)c2)C[C@H]1CO ZINC000253413063 352533598 /nfs/dbraw/zinc/53/35/98/352533598.db2.gz SXQWZIRLRCVVHN-GXTWGEPZSA-N 1 1 278.352 0.482 50 0 CCAAMO CC[NH+]1CCN(Cc2nc([C@H]3CCOC3)no2)CC1 ZINC000096131706 185105037 /nfs/dbraw/zinc/10/50/37/185105037.db2.gz HLAQLAURUBLSIV-NSHDSACASA-N 1 1 266.345 0.711 50 0 CCAAMO O=C(NCc1nn[nH]n1)C1CC[NH+](C2CCCCC2)CC1 ZINC000095362246 349603199 /nfs/dbraw/zinc/60/31/99/349603199.db2.gz MYZIRJPIFIXXFH-UHFFFAOYSA-N 1 1 292.387 0.861 50 0 CCAAMO COC[C@@H](O)C[N@H+]1CC[C@@H](N(C)Cc2ncc(C)o2)C1 ZINC000095402659 349608220 /nfs/dbraw/zinc/60/82/20/349608220.db2.gz WIWRIQWQDCHJAS-OLZOCXBDSA-N 1 1 283.372 0.496 50 0 CCAAMO COCC[N@H+]1CCC[C@H](NC(=O)NCCn2cccc2)C1 ZINC000095409481 349609068 /nfs/dbraw/zinc/60/90/68/349609068.db2.gz YSZRZFRQMCAHPS-AWEZNQCLSA-N 1 1 294.399 0.898 50 0 CCAAMO C[C@@H](C(=O)NCC(F)(F)F)[N@@H+]1CC[C@H](CO)C1 ZINC000095430707 349609961 /nfs/dbraw/zinc/60/99/61/349609961.db2.gz DQPCYQOGXPFDFG-YUMQZZPRSA-N 1 1 254.252 0.368 50 0 CCAAMO C[C@@H](C(=O)NCC(F)(F)F)[N@H+]1CC[C@H](CO)C1 ZINC000095430707 349609962 /nfs/dbraw/zinc/60/99/62/349609962.db2.gz DQPCYQOGXPFDFG-YUMQZZPRSA-N 1 1 254.252 0.368 50 0 CCAAMO CC[N@H+]1CCC[C@](C)(C(=O)NCc2cc(=O)[nH]c(C)n2)C1 ZINC000095381170 349605420 /nfs/dbraw/zinc/60/54/20/349605420.db2.gz KMNIRWAMZUKJDT-HNNXBMFYSA-N 1 1 292.383 0.817 50 0 CCAAMO CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CCCCNC1=O ZINC000097053477 349625239 /nfs/dbraw/zinc/62/52/39/349625239.db2.gz YNBURNYWOPRUBR-NSHDSACASA-N 1 1 278.356 0.791 50 0 CCAAMO Nc1ncccc1CN1CCN(c2cc[nH+]cc2)C[C@H](O)C1 ZINC000097155597 349630180 /nfs/dbraw/zinc/63/01/80/349630180.db2.gz QHOBVWXIOVDRQG-OAHLLOKOSA-N 1 1 299.378 0.742 50 0 CCAAMO CNC(=O)NC(=O)C[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000097203206 349633919 /nfs/dbraw/zinc/63/39/19/349633919.db2.gz KKWSFLHELJLECO-UHFFFAOYSA-N 1 1 265.317 0.045 50 0 CCAAMO C[C@@]1(O)CC[N@@H+](CCC(=O)NCc2ccco2)C[C@@H]1O ZINC000097475616 349642539 /nfs/dbraw/zinc/64/25/39/349642539.db2.gz OWCYDGDCJGTLQM-GXTWGEPZSA-N 1 1 282.340 0.104 50 0 CCAAMO Cc1n[nH]c(CN2CC[N@@H+](C)[C@H](CO)C2)c1Cl ZINC000097551418 349643433 /nfs/dbraw/zinc/64/34/33/349643433.db2.gz SJNZNOBXAVXBLV-VIFPVBQESA-N 1 1 258.753 0.480 50 0 CCAAMO Cc1n[nH]c(CN2CC[N@H+](C)[C@H](CO)C2)c1Cl ZINC000097551418 349643435 /nfs/dbraw/zinc/64/34/35/349643435.db2.gz SJNZNOBXAVXBLV-VIFPVBQESA-N 1 1 258.753 0.480 50 0 CCAAMO CC[C@H](C)NC(=O)C(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000004497942 347995981 /nfs/dbraw/zinc/99/59/81/347995981.db2.gz GCKKTODIRTYWCM-QWRGUYRKSA-N 1 1 255.362 0.502 50 0 CCAAMO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccncc1 ZINC000013686712 348029399 /nfs/dbraw/zinc/02/93/99/348029399.db2.gz ZDRCZAZUNVEMJF-LBPRGKRZSA-N 1 1 276.340 0.621 50 0 CCAAMO O=C(NCCC[NH+]1CCOCC1)C(=O)Nc1ccccc1 ZINC000019831203 348070819 /nfs/dbraw/zinc/07/08/19/348070819.db2.gz KOBPPBMLVPOTFS-UHFFFAOYSA-N 1 1 291.351 0.464 50 0 CCAAMO C[C@H]1C[C@H](C)C[NH+](Cc2nc(N)nc(N(C)C)n2)C1 ZINC000014245113 348034927 /nfs/dbraw/zinc/03/49/27/348034927.db2.gz XCUJQKCZUHQRMB-UWVGGRQHSA-N 1 1 264.377 0.998 50 0 CCAAMO NC(=O)CC[NH+]1CCN(C(=O)Cc2ccc(F)cc2)CC1 ZINC000030198056 348117487 /nfs/dbraw/zinc/11/74/87/348117487.db2.gz MJCOQLLEPYUAPA-UHFFFAOYSA-N 1 1 293.342 0.388 50 0 CCAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(O)cc1 ZINC000036365002 348166921 /nfs/dbraw/zinc/16/69/21/348166921.db2.gz MEDZXZBWAAXNCP-GFCCVEGCSA-N 1 1 291.351 0.931 50 0 CCAAMO OCC[NH+]1CCN(C[C@@H](O)c2cccc(F)c2)CC1 ZINC000051091334 348483330 /nfs/dbraw/zinc/48/33/30/348483330.db2.gz MBPVNECIICEDPV-CQSZACIVSA-N 1 1 268.332 0.469 50 0 CCAAMO COc1c(C[NH2+][C@@H](C(=O)N(C)C)C(C)C)c(C)nn1C ZINC000058406108 348626810 /nfs/dbraw/zinc/62/68/10/348626810.db2.gz RSOBEFHUJUYHGW-GFCCVEGCSA-N 1 1 282.388 0.940 50 0 CCAAMO CC[N@@H+](C)CCNC(=O)[C@@H]1CC(=O)N(CC(C)C)C1 ZINC000065403854 348713316 /nfs/dbraw/zinc/71/33/16/348713316.db2.gz KHIIENNRUALRFN-GFCCVEGCSA-N 1 1 269.389 0.559 50 0 CCAAMO CC(C)c1nnc2ccc(N3CC[NH+](C)CC3)nn21 ZINC000064555201 348702261 /nfs/dbraw/zinc/70/22/61/348702261.db2.gz AWWWSRLUTXUFNI-UHFFFAOYSA-N 1 1 260.345 1.000 50 0 CCAAMO CC[NH+]1CCN(C2=NCCN2C(=O)c2ccco2)CC1 ZINC000065306412 348710584 /nfs/dbraw/zinc/71/05/84/348710584.db2.gz 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/nfs/dbraw/zinc/83/57/21/348835721.db2.gz QJJJYZAFGUQKMN-UHFFFAOYSA-N 1 1 288.355 0.797 50 0 CCAAMO CC[N@@H+]1CCO[C@@H](CNc2nccc(OC)n2)C1 ZINC000069808406 348862572 /nfs/dbraw/zinc/86/25/72/348862572.db2.gz XWBYAFHLOHDDMY-JTQLQIEISA-N 1 1 252.318 0.618 50 0 CCAAMO CC[N@H+]1CCO[C@@H](CNc2nccc(OC)n2)C1 ZINC000069808406 348862574 /nfs/dbraw/zinc/86/25/74/348862574.db2.gz XWBYAFHLOHDDMY-JTQLQIEISA-N 1 1 252.318 0.618 50 0 CCAAMO C[C@@H](O)C[NH+]1CCN(C(=O)CCc2cscn2)CC1 ZINC000069922897 348867118 /nfs/dbraw/zinc/86/71/18/348867118.db2.gz ICEDHEGTLYVZHZ-LLVKDONJSA-N 1 1 283.397 0.601 50 0 CCAAMO CC[C@@H](O)C[NH+]1CCN(C(=O)c2csc(C)n2)CC1 ZINC000069969058 348868116 /nfs/dbraw/zinc/86/81/16/348868116.db2.gz DHDJRBSVHSDUFU-LLVKDONJSA-N 1 1 283.397 0.980 50 0 CCAAMO COCC[N@@H+]1CCN([C@@H](C)C(=O)N2CCCC2)C[C@H]1C ZINC000069976774 348869234 /nfs/dbraw/zinc/86/92/34/348869234.db2.gz GYTGFTDAFIYKHN-KGLIPLIRSA-N 1 1 283.416 0.650 50 0 CCAAMO COCC[N@H+]1CCN([C@@H](C)C(=O)N2CCCC2)C[C@H]1C ZINC000069976774 348869237 /nfs/dbraw/zinc/86/92/37/348869237.db2.gz GYTGFTDAFIYKHN-KGLIPLIRSA-N 1 1 283.416 0.650 50 0 CCAAMO COc1ccnc(N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)n1 ZINC000071859494 348912096 /nfs/dbraw/zinc/91/20/96/348912096.db2.gz DPWMXEARYIONOI-WDEREUQCSA-N 1 1 266.345 0.377 50 0 CCAAMO NC(=O)NC(=O)C[N@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000075105959 349021315 /nfs/dbraw/zinc/02/13/15/349021315.db2.gz LQALPMOZFNUFOT-NXEZZACHSA-N 1 1 297.380 0.831 50 0 CCAAMO CCc1nc(CC(=O)N2CC[NH+](CCO)CC2)cs1 ZINC000075572763 349038742 /nfs/dbraw/zinc/03/87/42/349038742.db2.gz HAKYRTFKPJRGQW-UHFFFAOYSA-N 1 1 283.397 0.385 50 0 CCAAMO CCCCN(C)S(=O)(=O)N[C@@H]1C[N@@H+](CC)C[C@@H]1C ZINC000076058567 349066222 /nfs/dbraw/zinc/06/62/22/349066222.db2.gz YSHUOSFXQQEVMO-NWDGAFQWSA-N 1 1 277.434 0.893 50 0 CCAAMO CCOc1cc(CNC(=O)[C@H]2C[N@H+](CC)CCO2)ccn1 ZINC000076060649 349067563 /nfs/dbraw/zinc/06/75/63/349067563.db2.gz LCCKMCLUTNAJLU-CYBMUJFWSA-N 1 1 293.367 0.817 50 0 CCAAMO CCOc1cc(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)ccn1 ZINC000076060649 349067565 /nfs/dbraw/zinc/06/75/65/349067565.db2.gz LCCKMCLUTNAJLU-CYBMUJFWSA-N 1 1 293.367 0.817 50 0 CCAAMO CN(C)C(=O)CC[NH+]1CCN(C(=O)c2ccccn2)CC1 ZINC000083844021 349311971 /nfs/dbraw/zinc/31/19/71/349311971.db2.gz MEXFKUPEFWFKCJ-UHFFFAOYSA-N 1 1 290.367 0.318 50 0 CCAAMO NC(=O)N1CCC[N@H+](CC(=O)N2CCCCCCC2)CC1 ZINC000089819013 349408519 /nfs/dbraw/zinc/40/85/19/349408519.db2.gz GKWWFSAZKALIMB-UHFFFAOYSA-N 1 1 296.415 0.866 50 0 CCAAMO NC(=O)N1CCC[N@@H+](CC(=O)N2CCCCCCC2)CC1 ZINC000089819013 349408523 /nfs/dbraw/zinc/40/85/23/349408523.db2.gz GKWWFSAZKALIMB-UHFFFAOYSA-N 1 1 296.415 0.866 50 0 CCAAMO C[C@@H](NC(=O)N1CCC[N@@H+](C)CC1)c1nncn1C ZINC000089913918 349411883 /nfs/dbraw/zinc/41/18/83/349411883.db2.gz XPNNHUBKLMIKMQ-SNVBAGLBSA-N 1 1 266.349 0.223 50 0 CCAAMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](O)Cc2ccccc2)C1 ZINC000089977368 349417692 /nfs/dbraw/zinc/41/76/92/349417692.db2.gz KGUQCTLBHSQZTB-HUUCEWRRSA-N 1 1 292.379 0.427 50 0 CCAAMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](O)Cc2ccccc2)C1 ZINC000089977368 349417696 /nfs/dbraw/zinc/41/76/96/349417696.db2.gz KGUQCTLBHSQZTB-HUUCEWRRSA-N 1 1 292.379 0.427 50 0 CCAAMO CC(C)[C@]1(O)C[N@@H+](CCN2CCCC2=O)C[C@H]1C ZINC000091410554 180148416 /nfs/dbraw/zinc/14/84/16/180148416.db2.gz BDSBNFBVDNNHJW-TZMCWYRMSA-N 1 1 254.374 0.948 50 0 CCAAMO CCC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1cc(N)n[nH]1)C2 ZINC000091794306 180258537 /nfs/dbraw/zinc/25/85/37/180258537.db2.gz AGMJKSKEKWMGCE-GHMZBOCLSA-N 1 1 277.372 0.938 50 0 CCAAMO COCC[C@]1(O)CC[N@@H+](CCCn2cnnn2)C[C@H]1C ZINC000091857987 180274423 /nfs/dbraw/zinc/27/44/23/180274423.db2.gz COKCPKDYOVELGO-CHWSQXEVSA-N 1 1 283.376 0.173 50 0 CCAAMO C[N@H+]1CCCN(C(=O)c2cnc(C(C)(C)C)[nH]c2=O)CC1 ZINC000091848337 180270973 /nfs/dbraw/zinc/27/09/73/180270973.db2.gz REILMUULHVGNSY-UHFFFAOYSA-N 1 1 292.383 0.845 50 0 CCAAMO CCNC(=O)N1CC[N@@H+](C)[C@@]2(C1)CCNC(=O)CC2 ZINC000092046329 180310555 /nfs/dbraw/zinc/31/05/55/180310555.db2.gz HXHZRDYTJWPPRJ-CYBMUJFWSA-N 1 1 268.361 0.002 50 0 CCAAMO C[C@H](O)C[N@H+]1CCN(Cc2nnc(C3CC3)o2)C[C@@H]1C ZINC000106868167 186143344 /nfs/dbraw/zinc/14/33/44/186143344.db2.gz LIJLLENRCHPPQX-QWRGUYRKSA-N 1 1 280.372 0.834 50 0 CCAAMO CCc1cc(C(=O)N2CCN(CCO)[C@H](C)C2)n[nH]1 ZINC000170085794 350841990 /nfs/dbraw/zinc/84/19/90/350841990.db2.gz RVLWPPJOWGFDCY-SNVBAGLBSA-N 1 1 266.345 0.111 50 0 CCAAMO CCc1cc(C(=O)N2CC[N@H+](CCO)[C@H](C)C2)[nH]n1 ZINC000170085794 350841992 /nfs/dbraw/zinc/84/19/92/350841992.db2.gz RVLWPPJOWGFDCY-SNVBAGLBSA-N 1 1 266.345 0.111 50 0 CCAAMO CCc1cc(C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)[nH]n1 ZINC000170085794 350841994 /nfs/dbraw/zinc/84/19/94/350841994.db2.gz RVLWPPJOWGFDCY-SNVBAGLBSA-N 1 1 266.345 0.111 50 0 CCAAMO O=C(NN1CCCCC1=O)[C@H]1[NH2+]CCc2ccccc21 ZINC000195543382 351918392 /nfs/dbraw/zinc/91/83/92/351918392.db2.gz GOMQFINMRLZCOF-AWEZNQCLSA-N 1 1 273.336 0.917 50 0 CCAAMO CSCC[NH+]1CCN(C(=O)c2cccn(C)c2=O)CC1 ZINC000216502549 351942221 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O=C1CC[N@@H+](Cc2ccc3c(c2)CCO3)CCOCCN1 ZINC000257183394 352548977 /nfs/dbraw/zinc/54/89/77/352548977.db2.gz HNNTWYMITKENEN-UHFFFAOYSA-N 1 1 290.363 0.960 50 0 CCAAMO C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCc2nccn2C1 ZINC000257365449 352553767 /nfs/dbraw/zinc/55/37/67/352553767.db2.gz VBCQVRBZLKUBHQ-RYUDHWBXSA-N 1 1 262.357 0.798 50 0 CCAAMO CCO[C@@H]1C[C@@H]1C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](CC)C1 ZINC000299754146 354047848 /nfs/dbraw/zinc/04/78/48/354047848.db2.gz FOOQTDYPYYQRDF-ZQDZILKHSA-N 1 1 296.411 0.981 50 0 CCAAMO CCc1[nH+]ccn1CC(=O)NCCCn1nc(C)nc1C ZINC000299784081 354051813 /nfs/dbraw/zinc/05/18/13/354051813.db2.gz FMSIGSIFPYOSQJ-UHFFFAOYSA-N 1 1 290.371 0.860 50 0 CCAAMO C[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)Cn1cc(N)cn1 ZINC000299791835 354053740 /nfs/dbraw/zinc/05/37/40/354053740.db2.gz DTMALCTZMMZXFN-OAHLLOKOSA-N 1 1 299.378 0.638 50 0 CCAAMO CC(C)n1ccc(C(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)n1 ZINC000328598515 354232995 /nfs/dbraw/zinc/23/29/95/354232995.db2.gz 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ZINC000426599016 389674253 /nfs/dbraw/zinc/67/42/53/389674253.db2.gz UGHFHILYRUCSTJ-CYBMUJFWSA-N 1 1 265.361 0.585 50 0 CCAAMO CC[N@H+]1CCC[C@@](C)(C(=O)NCCc2cnn[nH]2)C1 ZINC000426599016 389674255 /nfs/dbraw/zinc/67/42/55/389674255.db2.gz UGHFHILYRUCSTJ-CYBMUJFWSA-N 1 1 265.361 0.585 50 0 CCAAMO CC[N@H+]1CCC[C@H](C(=O)NCCc2cn[nH]n2)C1 ZINC000426628719 389675406 /nfs/dbraw/zinc/67/54/06/389675406.db2.gz FRLQDXCPKBAFMK-JTQLQIEISA-N 1 1 251.334 0.195 50 0 CCAAMO CC[N@@H+]1CCC[C@H](C(=O)NCCc2c[nH]nn2)C1 ZINC000426628719 389675409 /nfs/dbraw/zinc/67/54/09/389675409.db2.gz FRLQDXCPKBAFMK-JTQLQIEISA-N 1 1 251.334 0.195 50 0 CCAAMO CC[N@H+]1CCC[C@H](C(=O)NCCc2c[nH]nn2)C1 ZINC000426628719 389675413 /nfs/dbraw/zinc/67/54/13/389675413.db2.gz FRLQDXCPKBAFMK-JTQLQIEISA-N 1 1 251.334 0.195 50 0 CCAAMO CC[N@@H+]1CCC[C@H](C(=O)NCCc2cnn[nH]2)C1 ZINC000426628719 389675416 /nfs/dbraw/zinc/67/54/16/389675416.db2.gz FRLQDXCPKBAFMK-JTQLQIEISA-N 1 1 251.334 0.195 50 0 CCAAMO CC[N@H+]1CCC[C@H](C(=O)NCCc2cnn[nH]2)C1 ZINC000426628719 389675418 /nfs/dbraw/zinc/67/54/18/389675418.db2.gz FRLQDXCPKBAFMK-JTQLQIEISA-N 1 1 251.334 0.195 50 0 CCAAMO CC(C)[N@H+]1CCC[C@H](C(=O)NCCc2cn[nH]n2)C1 ZINC000426668379 389675905 /nfs/dbraw/zinc/67/59/05/389675905.db2.gz ODYXMSRXNYTLSU-NSHDSACASA-N 1 1 265.361 0.584 50 0 CCAAMO CC(C)[N@@H+]1CCC[C@H](C(=O)NCCc2c[nH]nn2)C1 ZINC000426668379 389675909 /nfs/dbraw/zinc/67/59/09/389675909.db2.gz ODYXMSRXNYTLSU-NSHDSACASA-N 1 1 265.361 0.584 50 0 CCAAMO CC(C)[N@H+]1CCC[C@H](C(=O)NCCc2c[nH]nn2)C1 ZINC000426668379 389675913 /nfs/dbraw/zinc/67/59/13/389675913.db2.gz ODYXMSRXNYTLSU-NSHDSACASA-N 1 1 265.361 0.584 50 0 CCAAMO CC(C)[N@@H+]1CCC[C@H](C(=O)NCCc2cnn[nH]2)C1 ZINC000426668379 389675918 /nfs/dbraw/zinc/67/59/18/389675918.db2.gz ODYXMSRXNYTLSU-NSHDSACASA-N 1 1 265.361 0.584 50 0 CCAAMO CC(C)[N@H+]1CCC[C@H](C(=O)NCCc2cnn[nH]2)C1 ZINC000426668379 389675923 /nfs/dbraw/zinc/67/59/23/389675923.db2.gz ODYXMSRXNYTLSU-NSHDSACASA-N 1 1 265.361 0.584 50 0 CCAAMO COc1cccc(C(=O)N[C@H]2CCC[N@@H+](CCO)C2)c1 ZINC000384330899 389766094 /nfs/dbraw/zinc/76/60/94/389766094.db2.gz AKSAUSGBJCTLKY-ZDUSSCGKSA-N 1 1 278.352 0.882 50 0 CCAAMO COCC1(CNC(=O)[C@H](C)N2CC[NH+](C)CC2)CCCC1 ZINC000456848139 390019986 /nfs/dbraw/zinc/01/99/86/390019986.db2.gz AFCZCWBEFWXJOH-AWEZNQCLSA-N 1 1 297.443 0.945 50 0 CCAAMO C[NH+]1CCN(C(=O)N2CCc3ncncc3C2)CC1 ZINC000575606464 390843307 /nfs/dbraw/zinc/84/33/07/390843307.db2.gz KFFFRMYKFAVPOQ-UHFFFAOYSA-N 1 1 261.329 0.202 50 0 CCAAMO Cc1cc(N2CC[N@H+](C)[C@]3(C2)CCNC(=O)CC3)ncn1 ZINC000091535189 135071532 /nfs/dbraw/zinc/07/15/32/135071532.db2.gz ZRLUUEXLWKFBOF-HNNXBMFYSA-N 1 1 289.383 0.576 50 0 CCAAMO CC[N@@H+]1CCc2nnc([C@H]3CCN(C(C)=O)C3)n2CC1 ZINC000257174029 397439517 /nfs/dbraw/zinc/43/95/17/397439517.db2.gz BLMBKIUFVCMFSS-LBPRGKRZSA-N 1 1 277.372 0.492 50 0 CCAAMO CCOCC[NH+]1CCN([C@@H](C)C(=O)NC(C)C)CC1 ZINC000069631580 286090223 /nfs/dbraw/zinc/09/02/23/286090223.db2.gz WXKNQXJJBLDSOL-ZDUSSCGKSA-N 1 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ZQSIGXWWOXUKFE-MNOVXSKESA-N 1 1 284.381 0.618 50 0 CCAAMO C[N@H+]1CCO[C@H](C(=O)N[C@H](CCO)c2cccs2)C1 ZINC000108143172 411700780 /nfs/dbraw/zinc/70/07/80/411700780.db2.gz ZQSIGXWWOXUKFE-MNOVXSKESA-N 1 1 284.381 0.618 50 0 CCAAMO Cc1nnc(NC2CC[NH+](CC(N)=O)CC2)c2ccccc12 ZINC000386930780 411773426 /nfs/dbraw/zinc/77/34/26/411773426.db2.gz OGAXSXRGBHHPFX-UHFFFAOYSA-N 1 1 299.378 1.300 50 0 CCAAMO COc1cccc(NC(=O)CN2CC[NH+](C)CC2)c1 ZINC000020220145 171082521 /nfs/dbraw/zinc/08/25/21/171082521.db2.gz FGLHOUPHACUNDB-UHFFFAOYSA-N 1 1 263.341 0.881 50 0 CCAAMO COC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CC[NH2+]1 ZINC000020357999 171157321 /nfs/dbraw/zinc/15/73/21/171157321.db2.gz VLMVFRLASKOYKX-SECBINFHSA-N 1 1 258.318 0.758 50 0 CCAAMO C[C@H](Cn1cc(Cl)cn1)C(=O)N1CC[NH+](C)CC1 ZINC000035670760 172343562 /nfs/dbraw/zinc/34/35/62/172343562.db2.gz XFQQYXJWFMXSFJ-SNVBAGLBSA-N 1 1 270.764 0.947 50 0 CCAAMO C[N@@H+]1CCN(C(=O)Cn2cnnn2)[C@H](c2ccccc2)C1 ZINC000040475452 174282343 /nfs/dbraw/zinc/28/23/43/174282343.db2.gz NLIIKVMEXILLBG-ZDUSSCGKSA-N 1 1 286.339 0.188 50 0 CCAAMO C[N@H+]1CCN(C(=O)Cn2cnnn2)[C@H](c2ccccc2)C1 ZINC000040475452 174282345 /nfs/dbraw/zinc/28/23/45/174282345.db2.gz NLIIKVMEXILLBG-ZDUSSCGKSA-N 1 1 286.339 0.188 50 0 CCAAMO CCOCC[NH+]1CCN([C@H](C)C(=O)N(C)C)CC1 ZINC000069658477 175845795 /nfs/dbraw/zinc/84/57/95/175845795.db2.gz ADONMJUVTFAUSK-GFCCVEGCSA-N 1 1 257.378 0.117 50 0 CCAAMO Cc1ccc(CNC(=O)CN2CC[NH+](CCO)CC2)s1 ZINC000069772077 175852160 /nfs/dbraw/zinc/85/21/60/175852160.db2.gz QGRKPKSBHJNRMF-UHFFFAOYSA-N 1 1 297.424 0.283 50 0 CCAAMO CCS(=O)(=O)CC(=O)N1CCC[C@H](n2cc[nH+]c2C)C1 ZINC000070011693 175867790 /nfs/dbraw/zinc/86/77/90/175867790.db2.gz MWFRCHDDDABBGB-LBPRGKRZSA-N 1 1 299.396 0.790 50 0 CCAAMO COC[C@@H](O)C[N@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000071903252 176295125 /nfs/dbraw/zinc/29/51/25/176295125.db2.gz FXUKGARABJSQOX-OLZOCXBDSA-N 1 1 286.416 0.868 50 0 CCAAMO O=C(C[N@@H+]1CCC[C@H]1CCCO)NCc1ccccn1 ZINC000071904883 176295657 /nfs/dbraw/zinc/29/56/57/176295657.db2.gz UGQNMZJWLGXOAY-AWEZNQCLSA-N 1 1 277.368 0.935 50 0 CCAAMO CC[N@@H+](CCCS(=O)(=O)NC)C[C@@H]1CCOC1 ZINC000071908295 176297112 /nfs/dbraw/zinc/29/71/12/176297112.db2.gz LVKQPYWBBDYLOB-NSHDSACASA-N 1 1 264.391 0.284 50 0 CCAAMO O=C(C[N@@H+](CC1CCCCC1)C1CC1)N1CCNC(=O)C1 ZINC000071954860 176304640 /nfs/dbraw/zinc/30/46/40/176304640.db2.gz SNKJNAMYPJUCPZ-UHFFFAOYSA-N 1 1 293.411 0.990 50 0 CCAAMO C[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)c1cn[nH]n1 ZINC000072122451 176319982 /nfs/dbraw/zinc/31/99/82/176319982.db2.gz QQSVDWBFPQXCSM-LLVKDONJSA-N 1 1 285.351 0.981 50 0 CCAAMO O=C(Cn1ccnc1)N1CCC([N@H+]2CCC[C@H](O)C2)CC1 ZINC000072168401 176332149 /nfs/dbraw/zinc/33/21/49/176332149.db2.gz JCLQHZWGNCJLSG-AWEZNQCLSA-N 1 1 292.383 0.331 50 0 CCAAMO COCC[C@@H](C)NC(=O)NC[C@@H](c1cnn(C)c1)[NH+](C)C ZINC000072287715 176360409 /nfs/dbraw/zinc/36/04/09/176360409.db2.gz FMTBKWVHEAXQAR-YPMHNXCESA-N 1 1 297.403 0.747 50 0 CCAAMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)[C@@H](C)COC ZINC000072300151 176364427 /nfs/dbraw/zinc/36/44/27/176364427.db2.gz WLONJBREIFQYTG-YNEHKIRRSA-N 1 1 290.429 0.910 50 0 CCAAMO Cc1[nH+]ccn1-c1ccc(NC(=O)[C@@H]2CC(=O)N(C)C2)cn1 ZINC000072406116 176397764 /nfs/dbraw/zinc/39/77/64/176397764.db2.gz ONARUXGRFYUOTM-LLVKDONJSA-N 1 1 299.334 0.993 50 0 CCAAMO CCc1[nH+]ccn1CCC(=O)N1CCOC[C@H](O)C1 ZINC000077472568 177272555 /nfs/dbraw/zinc/27/25/55/177272555.db2.gz YWZLAMPSCRJHMS-LLVKDONJSA-N 1 1 267.329 0.055 50 0 CCAAMO O=C(NCCC[NH+]1CCOCC1)c1nccs1 ZINC000082269482 544486088 /nfs/dbraw/zinc/48/60/88/544486088.db2.gz JIQJUPVJTVHSNW-UHFFFAOYSA-N 1 1 255.343 0.595 50 0 CCAAMO C[C@H]1C[N@H+](C)CCN1C(=O)NC1CCC(O)CC1 ZINC000089938129 544517552 /nfs/dbraw/zinc/51/75/52/544517552.db2.gz CKJIZJBMOBZTCF-UNXYVOJBSA-N 1 1 255.362 0.635 50 0 CCAAMO C[C@H]1C[N@@H+](C)CCN1C(=O)NC1CCC(O)CC1 ZINC000089938129 544517556 /nfs/dbraw/zinc/51/75/56/544517556.db2.gz CKJIZJBMOBZTCF-UNXYVOJBSA-N 1 1 255.362 0.635 50 0 CCAAMO C[C@@H]([N@@H+](C)Cc1cc(=O)n(C)c(=O)n1C)C(C)(C)C ZINC000032804080 260146082 /nfs/dbraw/zinc/14/60/82/260146082.db2.gz LDBULCIVTPSSMQ-SNVBAGLBSA-N 1 1 267.373 0.950 50 0 CCAAMO CC[C@@](C)(CNC(=O)[C@H](C)n1cncn1)[NH+]1CCOCC1 ZINC000040515310 260176792 /nfs/dbraw/zinc/17/67/92/260176792.db2.gz OEGAGDAYNNXLIR-JSGCOSHPSA-N 1 1 295.387 0.456 50 0 CCAAMO CN(C)[C@H](CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)c1ccc(F)cc1 ZINC000237201124 276863095 /nfs/dbraw/zinc/86/30/95/276863095.db2.gz NYJVUNQXWJTULM-MGPQQGTHSA-N 1 1 295.358 0.267 50 0 CCAAMO CN1CC[C@@]2(CN(Cc3ncc[nH]3)CC[N@H+]2C)CCC1=O ZINC000091738348 277109766 /nfs/dbraw/zinc/10/97/66/277109766.db2.gz WKGUTGXTRZZGEH-OAHLLOKOSA-N 1 1 291.399 0.538 50 0 CCAAMO COC(=O)[C@H](F)C[N@@H+]1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000252499782 277119937 /nfs/dbraw/zinc/11/99/37/277119937.db2.gz SEDMDNJUQBZWDB-UHTWSYAYSA-N 1 1 298.358 0.973 50 0 CCAAMO COC(=O)[C@H](F)C[N@H+]1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000252499782 277119939 /nfs/dbraw/zinc/11/99/39/277119939.db2.gz SEDMDNJUQBZWDB-UHTWSYAYSA-N 1 1 298.358 0.973 50 0 CCAAMO COC(=O)c1ccc([C@H]2C[NH2+]CCN2C(C)=O)cc1 ZINC000072344004 277161612 /nfs/dbraw/zinc/16/16/12/277161612.db2.gz NYMDZIUBHKDJJQ-CYBMUJFWSA-N 1 1 262.309 0.966 50 0 CCAAMO Cc1cnc(C)c(N2CC[NH+](C[C@@H]3COCCO3)CC2)n1 ZINC000252488405 279010837 /nfs/dbraw/zinc/01/08/37/279010837.db2.gz IRHZYDKKHAIFQR-CQSZACIVSA-N 1 1 292.383 0.631 50 0 CCAAMO C[C@H](Cc1cnccn1)[N@H+](C)CC(=O)N1CCOCC1 ZINC000244874180 279384188 /nfs/dbraw/zinc/38/41/88/279384188.db2.gz WWCFLDPVHJLRBT-GFCCVEGCSA-N 1 1 278.356 0.198 50 0 CCAAMO C[C@H](Cc1cnccn1)[N@@H+](C)CC(=O)N1CCOCC1 ZINC000244874180 279384190 /nfs/dbraw/zinc/38/41/90/279384190.db2.gz WWCFLDPVHJLRBT-GFCCVEGCSA-N 1 1 278.356 0.198 50 0 CCAAMO C[C@H]1C[NH2+]CCN1S(=O)(=O)c1cccc(F)c1F ZINC000193358719 279908524 /nfs/dbraw/zinc/90/85/24/279908524.db2.gz AFORJAVLDPLGEN-QMMMGPOBSA-N 1 1 276.308 0.947 50 0 CCAAMO Cc1ccc(N2C(=O)C[C@@H](N3CC[NH+](C)CC3)C2=O)cc1 ZINC000100583449 280859265 /nfs/dbraw/zinc/85/92/65/280859265.db2.gz CLFCGIPJOJEPFL-CQSZACIVSA-N 1 1 287.363 0.874 50 0 CCAAMO Cc1ccccc1N1CCC[N@@H+](C[C@H](O)CO)CC1 ZINC000065396275 281346786 /nfs/dbraw/zinc/34/67/86/281346786.db2.gz FHOLTLKWIPYBKB-AWEZNQCLSA-N 1 1 264.369 0.860 50 0 CCAAMO Cc1c[nH+]c(NC2CCS(=O)(=O)CC2)nc1N(C)C ZINC000065384851 281628227 /nfs/dbraw/zinc/62/82/27/281628227.db2.gz UTBLNOLAADFAGD-UHFFFAOYSA-N 1 1 284.385 0.840 50 0 CCAAMO C[N@H+]1CC[C@@H](NC(=O)CC(N)=O)[C@H]1c1ccccc1 ZINC000270618344 290133676 /nfs/dbraw/zinc/13/36/76/290133676.db2.gz GSKKMWGKERMKIR-BXUZGUMPSA-N 1 1 261.325 0.423 50 0 CCAAMO COC[C@H](O)C[N@H+]1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000128437485 293178350 /nfs/dbraw/zinc/17/83/50/293178350.db2.gz ARFIJRVYEGRWSS-BNOWGMLFSA-N 1 1 282.384 0.469 50 0 CCAAMO Cc1sc2ncnc(N3CC[NH2+][C@@H](C(N)=O)C3)c2c1C ZINC000057423100 294089466 /nfs/dbraw/zinc/08/94/66/294089466.db2.gz KDRJSMXCPWPCHU-SECBINFHSA-N 1 1 291.380 0.572 50 0 CCAAMO CN1CCC[N@@H+](CCC(=O)[O-])CC12CC[NH2+]CC2 ZINC000534587898 328316385 /nfs/dbraw/zinc/31/63/85/328316385.db2.gz RVGPELSJLFDMFU-UHFFFAOYSA-N 1 1 255.362 0.221 50 0 CCAAMO CO[C@H]1C[N@@H+](C)C[C@@H]1NC(=O)CCc1[nH]nc(C)c1C ZINC000534591602 328318410 /nfs/dbraw/zinc/31/84/10/328318410.db2.gz GHSSYULSECQOTG-STQMWFEESA-N 1 1 280.372 0.404 50 0 CCAAMO CO[C@H]1C[N@@H+](C)C[C@@H]1NC(=O)CCCc1cn[nH]c1 ZINC000534653097 328338204 /nfs/dbraw/zinc/33/82/04/328338204.db2.gz IKRCAWBSMCTTCE-RYUDHWBXSA-N 1 1 266.345 0.178 50 0 CCAAMO CO[C@H]1C[N@@H+](C)C[C@@H]1NC(=O)c1ccncc1Cl ZINC000534659075 328342007 /nfs/dbraw/zinc/34/20/07/328342007.db2.gz JGNKGNPRYHSUKE-QWRGUYRKSA-N 1 1 269.732 0.794 50 0 CCAAMO CCc1nnc(C[N@H+](C)C[C@H]2CC(=O)N(C)C2)[nH]1 ZINC000670444680 545235528 /nfs/dbraw/zinc/23/55/28/545235528.db2.gz NOEQTAJVFNHHLP-SECBINFHSA-N 1 1 251.334 0.277 50 0 CCAAMO CCc1nnc(C[N@@H+](C)C[C@H]2CC(=O)N(C)C2)[nH]1 ZINC000670444680 545235529 /nfs/dbraw/zinc/23/55/29/545235529.db2.gz NOEQTAJVFNHHLP-SECBINFHSA-N 1 1 251.334 0.277 50 0 CCAAMO CC(C)(CN1CCOCC1)C[N@H+]1CCCNC(=O)C1 ZINC000670447970 545235657 /nfs/dbraw/zinc/23/56/57/545235657.db2.gz URLHEVAREKMTLW-UHFFFAOYSA-N 1 1 269.389 0.167 50 0 CCAAMO CC(C)(CN1CCCNC(=O)C1)C[NH+]1CCOCC1 ZINC000670447970 545235658 /nfs/dbraw/zinc/23/56/58/545235658.db2.gz URLHEVAREKMTLW-UHFFFAOYSA-N 1 1 269.389 0.167 50 0 CCAAMO O=C(Cn1cccc1)NCC[N@@H+]1CCCC[C@@H]1CO ZINC000670435763 545234670 /nfs/dbraw/zinc/23/46/70/545234670.db2.gz KVPPVNLNGWCWCP-CYBMUJFWSA-N 1 1 265.357 0.451 50 0 CCAAMO NC(=O)c1cccnc1NCC[N@H+]1CCC[C@@H](CO)C1 ZINC000670440177 545235210 /nfs/dbraw/zinc/23/52/10/545235210.db2.gz ZURYULRYYNUOPB-LLVKDONJSA-N 1 1 278.356 0.297 50 0 CCAAMO COC(=O)N[C@@H](C)C(=O)N1CC[NH+](CCSC)CC1 ZINC000670451134 545235894 /nfs/dbraw/zinc/23/58/94/545235894.db2.gz ZWSCKKVYWNHVRE-JTQLQIEISA-N 1 1 289.401 0.238 50 0 CCAAMO Cc1[nH+]ccn1CC(=O)N1C[C@H](O)[C@@H](OC(C)C)C1 ZINC000670461187 545236828 /nfs/dbraw/zinc/23/68/28/545236828.db2.gz QQEJHQHFKRVYLR-RYUDHWBXSA-N 1 1 267.329 0.188 50 0 CCAAMO CC[C@H]1C[N@@H+](C)CCN1C(=O)Cc1cnn(C)c1 ZINC000585085997 581630362 /nfs/dbraw/zinc/63/03/62/581630362.db2.gz SEELMMVRXFUCQY-LBPRGKRZSA-N 1 1 250.346 0.515 50 0 CCAAMO CCCCNC(=O)[C@H](C)[N@H+]1CC[C@](O)(Cn2ccnn2)C1 ZINC000585081585 581888785 /nfs/dbraw/zinc/88/87/85/581888785.db2.gz SWEIXEUKSCLNTN-GXTWGEPZSA-N 1 1 295.387 0.020 50 0 CCAAMO CC(C)C[N@H+]1CCN(Cc2cnn(C)c2)C[C@H]1CCO ZINC000106974496 631275439 /nfs/dbraw/zinc/27/54/39/631275439.db2.gz KOBQTQNFACRKIT-OAHLLOKOSA-N 1 1 280.416 0.945 50 0 CCAAMO CC[N@H+]1CCC[C@@H](NC(=O)c2c(OC)ncnc2OC)C1 ZINC000171808374 637145853 /nfs/dbraw/zinc/14/58/53/637145853.db2.gz JMAYMPLBCMXUPH-SNVBAGLBSA-N 1 1 294.355 0.708 50 0 CCAAMO CCC[N@H+]1CCCN(C(=O)[C@@H]2CC(=O)N(C3CC3)C2)CC1 ZINC000019113931 650991622 /nfs/dbraw/zinc/99/16/22/650991622.db2.gz JNARQXHSXYTEHA-CYBMUJFWSA-N 1 1 293.411 0.942 50 0 CCAAMO Cc1cc(C)nc(CN(C)C(=O)[C@@H]([NH3+])Cc2c[nH]cn2)c1 ZINC000952972320 649613656 /nfs/dbraw/zinc/61/36/56/649613656.db2.gz UJLFCHQBPYSQQG-AWEZNQCLSA-N 1 1 287.367 0.950 50 0 CCAAMO Cc1cc(N)n(CC(=O)NC[C@@H](c2ccco2)[NH+](C)C)n1 ZINC000952987532 649614733 /nfs/dbraw/zinc/61/47/33/649614733.db2.gz OHTNIUWRHOOVRM-NSHDSACASA-N 1 1 291.355 0.786 50 0 CCAAMO CC[N@@H+]1CCC[C@H]1CSc1nnc(CN)n1C ZINC000426440321 812805507 /nfs/dbraw/zinc/80/55/07/812805507.db2.gz QSGRDFROIVOUPD-VIFPVBQESA-N 1 1 255.391 0.850 50 0 CCAAMO CC[N@H+]1CCC[C@H]1CSc1nnc(CN)n1C ZINC000426440321 812805517 /nfs/dbraw/zinc/80/55/17/812805517.db2.gz QSGRDFROIVOUPD-VIFPVBQESA-N 1 1 255.391 0.850 50 0 CCAAMO CCCn1ccnc1CNC(=O)C[N@@H+]1CCC[C@@H](O)C1 ZINC000823031055 821504416 /nfs/dbraw/zinc/50/44/16/821504416.db2.gz ZVVGVQCOEGIMTK-GFCCVEGCSA-N 1 1 280.372 0.366 50 0 CCAAMO CCCn1ccnc1CNC(=O)C[N@H+]1CCC[C@@H](O)C1 ZINC000823031055 821504422 /nfs/dbraw/zinc/50/44/22/821504422.db2.gz ZVVGVQCOEGIMTK-GFCCVEGCSA-N 1 1 280.372 0.366 50 0 CCAAMO CN(CCn1cnnc1)C[C@H]1CC[N@H+](C)C1(C)C ZINC000823690241 821532020 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275.352 0.688 50 0 CCAAMO C[N@H+](CCNS(C)(=O)=O)CCc1nccs1 ZINC000095435431 389042428 /nfs/dbraw/zinc/04/24/28/389042428.db2.gz YGKCJUCAHYTNIE-UHFFFAOYSA-N 1 1 263.388 0.167 50 0 CCAAMO C[N@@H+](CCNS(C)(=O)=O)CCc1nccs1 ZINC000095435431 389042430 /nfs/dbraw/zinc/04/24/30/389042430.db2.gz YGKCJUCAHYTNIE-UHFFFAOYSA-N 1 1 263.388 0.167 50 0 CCAAMO C[C@@H]1CNC(=O)CC[N@H+]1Cc1ccc(N(C)C)nc1 ZINC000216254443 389133329 /nfs/dbraw/zinc/13/33/29/389133329.db2.gz NMIQIXXUIOXMRA-LLVKDONJSA-N 1 1 262.357 0.858 50 0 CCAAMO C[N@H+]1CCC[C@H]1CN1CCN(c2cnccn2)CC1 ZINC000244659510 389203506 /nfs/dbraw/zinc/20/35/06/389203506.db2.gz HDXZSAMBYROYRG-ZDUSSCGKSA-N 1 1 261.373 0.693 50 0 CCAAMO CC[C@@H](C(=O)N1CCC[C@H](CN2CCOCC2)C1)[NH+](C)C ZINC000125207308 389164525 /nfs/dbraw/zinc/16/45/25/389164525.db2.gz DSJBQBKSBMDCKV-CABCVRRESA-N 1 1 297.443 0.897 50 0 CCAAMO CC(C)C[C@H]1COCC[N@@H+]1CCn1cc[nH]c1=O ZINC000244873076 389204569 /nfs/dbraw/zinc/20/45/69/389204569.db2.gz WJPVEESJKOJOGF-LBPRGKRZSA-N 1 1 253.346 0.923 50 0 CCAAMO CC(C)C[C@H]1COCC[N@H+]1CCn1cc[nH]c1=O ZINC000244873076 389204573 /nfs/dbraw/zinc/20/45/73/389204573.db2.gz WJPVEESJKOJOGF-LBPRGKRZSA-N 1 1 253.346 0.923 50 0 CCAAMO CN(C)c1nc(N)nc(C[N@@H+]2CCCCC[C@H]2CO)n1 ZINC000157069116 389329005 /nfs/dbraw/zinc/32/90/05/389329005.db2.gz SCEVUZRTRLFLGC-JTQLQIEISA-N 1 1 280.376 0.257 50 0 CCAAMO CN(C)c1nc(N)nc(C[N@H+]2CCCCC[C@H]2CO)n1 ZINC000157069116 389329006 /nfs/dbraw/zinc/32/90/06/389329006.db2.gz SCEVUZRTRLFLGC-JTQLQIEISA-N 1 1 280.376 0.257 50 0 CCAAMO CC(C)[C@@H](O)C[N@@H+](C)Cc1cnc(N(C)C)nc1 ZINC000432875299 389892135 /nfs/dbraw/zinc/89/21/35/389892135.db2.gz XAXQOGIZCPDFRE-LBPRGKRZSA-N 1 1 252.362 0.991 50 0 CCAAMO CC(C)(C)n1cc(C[N@H+]2CCC[C@@](O)(CC(N)=O)C2)cn1 ZINC000643745395 390525846 /nfs/dbraw/zinc/52/58/46/390525846.db2.gz DPSWPDJHJNVMCX-OAHLLOKOSA-N 1 1 294.399 0.840 50 0 CCAAMO COC[C@@H]1C[C@H](OC)C[N@@H+]1CC(=O)NCc1cccnc1 ZINC000284478762 196065080 /nfs/dbraw/zinc/06/50/80/196065080.db2.gz 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GUEHBFNIOKJTFU-UHFFFAOYSA-N 1 1 267.329 0.689 50 0 CCAAMO C[NH+]1CCN(C(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000035377292 172161500 /nfs/dbraw/zinc/16/15/00/172161500.db2.gz TUPQTBSYKVERDN-UHFFFAOYSA-N 1 1 275.308 0.405 50 0 CCAAMO COCCS(=O)(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000036191777 172502862 /nfs/dbraw/zinc/50/28/62/172502862.db2.gz QGGFYBJFTZFYAP-ZDUSSCGKSA-N 1 1 286.397 0.855 50 0 CCAAMO CNC(=O)C[NH+]1CCC(NC(=O)Cc2cccs2)CC1 ZINC000040511041 174304388 /nfs/dbraw/zinc/30/43/88/174304388.db2.gz SDHGJAQMQSEDMV-UHFFFAOYSA-N 1 1 295.408 0.617 50 0 CCAAMO CC(C)c1noc([C@H](C)N2CC[NH+](CCO)CC2)n1 ZINC000044584000 175210573 /nfs/dbraw/zinc/21/05/73/175210573.db2.gz CGKQOZJUMYWLNY-NSHDSACASA-N 1 1 268.361 0.864 50 0 CCAAMO CCS(=O)(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000045713318 175382674 /nfs/dbraw/zinc/38/26/74/175382674.db2.gz DGHBTEYQFKKUCP-UHFFFAOYSA-N 1 1 268.382 0.984 50 0 CCAAMO CCS(=O)(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000045713318 175382675 /nfs/dbraw/zinc/38/26/75/175382675.db2.gz 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/nfs/dbraw/zinc/86/62/29/200866229.db2.gz NYVBYSBOQSAMPA-SNVBAGLBSA-N 1 1 262.317 0.551 50 0 CCAAMO Cn1cc(C[NH+]2CCC(c3ccnn3CCO)CC2)nn1 ZINC000331954658 204333198 /nfs/dbraw/zinc/33/31/98/204333198.db2.gz REXRMMGIJWUVIN-UHFFFAOYSA-N 1 1 290.371 0.384 50 0 CCAAMO C[C@H]1CCCC[N@H+]1Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000000531910 388753743 /nfs/dbraw/zinc/75/37/43/388753743.db2.gz YLQFFWXTQNFLAA-JTQLQIEISA-N 1 1 291.355 0.266 50 0 CCAAMO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccon1)c1ccco1 ZINC000010330943 388768334 /nfs/dbraw/zinc/76/83/34/388768334.db2.gz WCYWQTWCSGBIOY-SECBINFHSA-N 1 1 292.295 0.625 50 0 CCAAMO CC(=O)NCC(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC1CC1)C2 ZINC000012299514 388780015 /nfs/dbraw/zinc/78/00/15/388780015.db2.gz NNKMRJBIOTVYEO-INIZCTEOSA-N 1 1 293.411 0.847 50 0 CCAAMO CCOCC(=O)N1CCN(c2[nH+]ccn2CC)CC1 ZINC000012444549 388784076 /nfs/dbraw/zinc/78/40/76/388784076.db2.gz RLUCXLKGLHZHDB-UHFFFAOYSA-N 1 1 266.345 0.588 50 0 CCAAMO CN(C)S(=O)(=O)c1cccc(C[N@@H+]2CCC[C@@H](O)C2)c1 ZINC000047864785 388883372 /nfs/dbraw/zinc/88/33/72/388883372.db2.gz LXBOWTIYUJCZFZ-CYBMUJFWSA-N 1 1 298.408 0.894 50 0 CCAAMO CN(C)S(=O)(=O)c1cccc(C[N@H+]2CCC[C@@H](O)C2)c1 ZINC000047864785 388883373 /nfs/dbraw/zinc/88/33/73/388883373.db2.gz LXBOWTIYUJCZFZ-CYBMUJFWSA-N 1 1 298.408 0.894 50 0 CCAAMO CNC(=O)C[NH+]1CCC(NC(=O)Nc2ccncc2)CC1 ZINC000048302029 388889161 /nfs/dbraw/zinc/88/91/61/388889161.db2.gz FDKIHIMDOQTQRB-UHFFFAOYSA-N 1 1 291.355 0.414 50 0 CCAAMO CCN1CC[NH+](CCCNC(=O)c2cnns2)CC1 ZINC000057308183 388933195 /nfs/dbraw/zinc/93/31/95/388933195.db2.gz MUTMHYSMUXYHCQ-UHFFFAOYSA-N 1 1 283.401 0.296 50 0 CCAAMO CN(CCCc1cnn(C)c1)C[C@]1(O)CCC[NH2+]C1 ZINC000072478259 388965664 /nfs/dbraw/zinc/96/56/64/388965664.db2.gz IUAMIVOYRDOMJW-AWEZNQCLSA-N 1 1 266.389 0.399 50 0 CCAAMO Cn1cc(CCC[N@H+](C)C[C@]2(O)CCCNC2)cn1 ZINC000072478259 388965669 /nfs/dbraw/zinc/96/56/69/388965669.db2.gz IUAMIVOYRDOMJW-AWEZNQCLSA-N 1 1 266.389 0.399 50 0 CCAAMO Cn1cc(CCC[N@@H+](C)C[C@]2(O)CCCNC2)cn1 ZINC000072478259 388965673 /nfs/dbraw/zinc/96/56/73/388965673.db2.gz IUAMIVOYRDOMJW-AWEZNQCLSA-N 1 1 266.389 0.399 50 0 CCAAMO CO[C@H]1C[C@@H](O)C12CCN(c1cc(N)[nH+]cn1)CC2 ZINC000091424776 389022939 /nfs/dbraw/zinc/02/29/39/389022939.db2.gz LQVDNZKZZGILLU-ZJUUUORDSA-N 1 1 264.329 0.425 50 0 CCAAMO COC[C@H](O)C[N@H+](C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000096424650 389060843 /nfs/dbraw/zinc/06/08/43/389060843.db2.gz IDTKNVSBZAIXEW-ZIAGYGMSSA-N 1 1 278.352 0.731 50 0 CCAAMO COC[C@H](O)C[N@@H+](C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000096424650 389060844 /nfs/dbraw/zinc/06/08/44/389060844.db2.gz IDTKNVSBZAIXEW-ZIAGYGMSSA-N 1 1 278.352 0.731 50 0 CCAAMO O=S(=O)(NC1CC1)[C@@H]1CC[N@@H+](CCc2ccccn2)C1 ZINC000095973141 389043708 /nfs/dbraw/zinc/04/37/08/389043708.db2.gz TVLLADBYVOUFGB-CQSZACIVSA-N 1 1 295.408 0.780 50 0 CCAAMO O=C(C1CC1)N1CCC[N@@H+](C[C@@H](O)C(F)(F)F)CC1 ZINC000121170859 389147182 /nfs/dbraw/zinc/14/71/82/389147182.db2.gz RCNHEUVFIIOYMZ-SNVBAGLBSA-N 1 1 280.290 0.854 50 0 CCAAMO O=C(C1CC1)N1CCC[N@H+](C[C@@H](O)C(F)(F)F)CC1 ZINC000121170859 389147185 /nfs/dbraw/zinc/14/71/85/389147185.db2.gz RCNHEUVFIIOYMZ-SNVBAGLBSA-N 1 1 280.290 0.854 50 0 CCAAMO Cn1cc(CCCNC(=O)CN2CCC[N@@H+](C)CC2)cn1 ZINC000220035258 389138678 /nfs/dbraw/zinc/13/86/78/389138678.db2.gz CXJLQXXKJPMHBF-UHFFFAOYSA-N 1 1 293.415 0.106 50 0 CCAAMO CC1=CCC[C@H](C)[C@H]1C[N@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000249051094 389251876 /nfs/dbraw/zinc/25/18/76/389251876.db2.gz FYXURWJCLNMXEB-IHRRRGAJSA-N 1 1 291.395 0.621 50 0 CCAAMO O[C@@H]1C[C@H]2CC[N@H+]3Cc4cc5c(cc4[C@@H]([C@H]23)[C@H]1O)OCO5 ZINC000005995923 285335043 /nfs/dbraw/zinc/33/50/43/285335043.db2.gz VJILFEGOWCJNIK-OPTBBTGBSA-N 1 1 289.331 0.829 50 0 biogenic CCAAMO C[C@@H]1CN(c2ncccn2)CC[N@H+]1CC(C)(C)O ZINC000275593976 389512893 /nfs/dbraw/zinc/51/28/93/389512893.db2.gz RNNDJKWSVUIILJ-LLVKDONJSA-N 1 1 250.346 0.758 50 0 CCAAMO CCc1nnc(CNC(=O)[C@H](C)N2CC[NH+](C)CC2)s1 ZINC000426361954 389663845 /nfs/dbraw/zinc/66/38/45/389663845.db2.gz ODDIMHMMEAVMGO-JTQLQIEISA-N 1 1 297.428 0.353 50 0 CCAAMO CC[N@H+]1CCC[C@H](C(=O)N2CCN(c3nc[nH]n3)CC2)C1 ZINC000426370381 389663888 /nfs/dbraw/zinc/66/38/88/389663888.db2.gz GIRGPKQRZRCPPQ-LBPRGKRZSA-N 1 1 292.387 0.185 50 0 CCAAMO CO[C@H]1C[N@H+](C(C)C)C[C@@H]1NC(=O)Cn1ccccc1=O ZINC000426428286 389666686 /nfs/dbraw/zinc/66/66/86/389666686.db2.gz KQRHTZXSMOCUJH-STQMWFEESA-N 1 1 293.367 0.072 50 0 CCAAMO CO[C@H]1C[N@H+](C(C)C)C[C@@H]1NC(=O)c1cc(=O)cc(C)[nH]1 ZINC000426562991 389672727 /nfs/dbraw/zinc/67/27/27/389672727.db2.gz MMFYSPOUUUOFAN-KBPBESRZSA-N 1 1 293.367 0.521 50 0 CCAAMO CC(C)[N@@H+]1CCC[C@H](C(=O)NCCCc2nn[nH]n2)C1 ZINC000426628168 389675090 /nfs/dbraw/zinc/67/50/90/389675090.db2.gz GPEVDFLGWQEFGF-NSHDSACASA-N 1 1 280.376 0.369 50 0 CCAAMO CC(C)[N@H+]1CCC[C@H](C(=O)NCCCc2nn[nH]n2)C1 ZINC000426628168 389675093 /nfs/dbraw/zinc/67/50/93/389675093.db2.gz GPEVDFLGWQEFGF-NSHDSACASA-N 1 1 280.376 0.369 50 0 CCAAMO Cc1ccc(F)cc1CNC(=O)N1CC[NH+](CCO)CC1 ZINC000426728111 389677922 /nfs/dbraw/zinc/67/79/22/389677922.db2.gz BBWWXJQTSFDHIV-UHFFFAOYSA-N 1 1 295.358 0.954 50 0 CCAAMO CO[C@H]1C[N@H+](C(C)C)C[C@@H]1NC(=O)c1c[nH]c(=O)cn1 ZINC000299771003 286073021 /nfs/dbraw/zinc/07/30/21/286073021.db2.gz XUPXATNNKLMTLM-QWRGUYRKSA-N 1 1 280.328 0.020 50 0 CCAAMO N[C@@H]1CCC[NH2+][C@@H]1[C@H]1CC[C@H](C(F)(F)F)NC1 ZINC000757216172 581699078 /nfs/dbraw/zinc/69/90/78/581699078.db2.gz YFGVXXOHRSIJNX-SGIHWFKDSA-N 1 1 251.296 0.996 50 0 CCAAMO C[C@@H](CNC(=O)Cn1cccn1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000048264853 411654703 /nfs/dbraw/zinc/65/47/03/411654703.db2.gz PHHCVSHZNKVPAV-YNEHKIRRSA-N 1 1 280.372 0.497 50 0 CCAAMO Cc1nc(N)sc1C(=O)NCC[N@H+]1CCC[C@@H](CO)C1 ZINC000584897812 411834051 /nfs/dbraw/zinc/83/40/51/411834051.db2.gz SBIVXCMAQWYHMW-SNVBAGLBSA-N 1 1 298.412 0.468 50 0 CCAAMO Cc1nc(N)sc1CC(=O)NCCn1cc[nH+]c1C ZINC000584901752 411835073 /nfs/dbraw/zinc/83/50/73/411835073.db2.gz KUCUZGRLWIDRRU-UHFFFAOYSA-N 1 1 279.369 0.898 50 0 CCAAMO Cc1ccccc1OC[C@H](O)C[NH+]1CCN(C)CC1 ZINC000020512783 171230953 /nfs/dbraw/zinc/23/09/53/171230953.db2.gz FBNCFNRRYCFQEK-CQSZACIVSA-N 1 1 264.369 0.982 50 0 CCAAMO OCC[NH+]1CCN(C[C@@H](O)COC2CCCCC2)CC1 ZINC000020668519 171269334 /nfs/dbraw/zinc/26/93/34/171269334.db2.gz GKSISEOMWASKAG-CQSZACIVSA-N 1 1 286.416 0.307 50 0 CCAAMO CCc1cc(CN2CC[N@H+](C)[C@@H](CCO)C2)on1 ZINC000020783878 171272544 /nfs/dbraw/zinc/27/25/44/171272544.db2.gz XSDBNEQCNITKKO-LBPRGKRZSA-N 1 1 253.346 0.735 50 0 CCAAMO CCc1cc(CN2CC[N@@H+](C)[C@@H](CCO)C2)on1 ZINC000020783878 171272545 /nfs/dbraw/zinc/27/25/45/171272545.db2.gz XSDBNEQCNITKKO-LBPRGKRZSA-N 1 1 253.346 0.735 50 0 CCAAMO CC(C)=CC[NH+]1CCN(C(=O)CN2CCOCC2)CC1 ZINC000044895178 175273600 /nfs/dbraw/zinc/27/36/00/175273600.db2.gz OUXGJOXZMCGJQM-UHFFFAOYSA-N 1 1 281.400 0.429 50 0 CCAAMO C[C@H](O)CN1CC[NH+](C[C@H](O)COCc2ccco2)CC1 ZINC000071847291 176275910 /nfs/dbraw/zinc/27/59/10/176275910.db2.gz HKJSFHJOHDDRBS-KBPBESRZSA-N 1 1 298.383 0.156 50 0 CCAAMO C[C@@H](O)C[N@H+]1CCN(Cc2nnc(C3CC3)o2)C[C@@H]1C ZINC000071864597 176281215 /nfs/dbraw/zinc/28/12/15/176281215.db2.gz LIJLLENRCHPPQX-WDEREUQCSA-N 1 1 280.372 0.834 50 0 CCAAMO C[C@@H](O)C[NH+]1CCN(C(=O)c2cccc3[nH]ncc32)CC1 ZINC000071871181 176283362 /nfs/dbraw/zinc/28/33/62/176283362.db2.gz HDWLUTPMBGEVTH-LLVKDONJSA-N 1 1 288.351 0.702 50 0 CCAAMO CCNc1cc2c(nn1)CCN(C(=O)[C@H]1CCC[N@H+]1C)C2 ZINC000071871673 176283805 /nfs/dbraw/zinc/28/38/05/176283805.db2.gz VFXJZUNJOLPVIG-CYBMUJFWSA-N 1 1 289.383 0.887 50 0 CCAAMO CCc1[nH+]ccn1CC(=O)N1CCC[C@]2(CNC(=O)O2)C1 ZINC000072125270 176320775 /nfs/dbraw/zinc/32/07/75/176320775.db2.gz MCZBAGSWOXYQQB-AWEZNQCLSA-N 1 1 292.339 0.547 50 0 CCAAMO CC(C)c1nnc(C[N@H+]2C[C@@H]3C[C@H](O)[C@@H](O)C[C@@H]3C2)o1 ZINC000072145664 176325167 /nfs/dbraw/zinc/32/51/67/176325167.db2.gz XNLGWGXGFHBJBU-USZNOCQGSA-N 1 1 281.356 0.757 50 0 CCAAMO CC(C)c1nnc(C[N@@H+]2C[C@@H]3C[C@H](O)[C@@H](O)C[C@@H]3C2)o1 ZINC000072145664 176325168 /nfs/dbraw/zinc/32/51/68/176325168.db2.gz XNLGWGXGFHBJBU-USZNOCQGSA-N 1 1 281.356 0.757 50 0 CCAAMO [NH3+][C@@H]1CCCN(C(=O)c2ccc3[nH]nnc3c2)CC1 ZINC000072166403 176331936 /nfs/dbraw/zinc/33/19/36/176331936.db2.gz GEMCTGCBXPSAKH-SNVBAGLBSA-N 1 1 259.313 0.911 50 0 CCAAMO O=S(=O)(C[C@@H]1CCCO1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000072277712 176356672 /nfs/dbraw/zinc/35/66/72/176356672.db2.gz IZLHPCVBWSHTJT-RYUDHWBXSA-N 1 1 274.386 0.275 50 0 CCAAMO COCc1cc(CN(C)C(=O)[C@H]2CC23CC[NH2+]CC3)n[nH]1 ZINC000096150236 260563202 /nfs/dbraw/zinc/56/32/02/260563202.db2.gz AWMOHNXJDLHNQD-CYBMUJFWSA-N 1 1 292.383 0.904 50 0 CCAAMO CCCN1[NH+]=C(C)Cn2c1nc1c2c(=O)n(C)c(=O)n1C ZINC000004316607 273614873 /nfs/dbraw/zinc/61/48/73/273614873.db2.gz TUXAOMHIEVFQQI-UHFFFAOYSA-N 1 1 290.327 0.040 50 0 CCAAMO CC[C@@H]1COCCN1C(=O)c1csc(C[NH3+])n1 ZINC000090930303 276508557 /nfs/dbraw/zinc/50/85/57/276508557.db2.gz SSNODVMUKPVRNI-MRVPVSSYSA-N 1 1 255.343 0.853 50 0 CCAAMO CC(=O)NC[C@@H]1C[N@H+]([C@@H]2CCCC[C@@H]2O)CCO1 ZINC000096485517 277036176 /nfs/dbraw/zinc/03/61/76/277036176.db2.gz BHTDDLBZAFALAN-UPJWGTAASA-N 1 1 256.346 0.127 50 0 CCAAMO COCC[NH+](CCOC)CC(=O)N1CCCC[C@H]1C ZINC000078406331 277510075 /nfs/dbraw/zinc/51/00/75/277510075.db2.gz VKFCWAQALLSTST-CYBMUJFWSA-N 1 1 272.389 0.982 50 0 CCAAMO C[C@H](CNC(=O)N1CCN(C2CC2)CC1)[N@@H+](C)C1CC1 ZINC000095351230 279330523 /nfs/dbraw/zinc/33/05/23/279330523.db2.gz ZLAYREXAJNUZRQ-GFCCVEGCSA-N 1 1 280.416 0.959 50 0 CCAAMO C[C@H](CCNC(=O)c1cncc(F)c1)N1CC[NH+](C)CC1 ZINC000534588172 328316437 /nfs/dbraw/zinc/31/64/37/328316437.db2.gz KCCVDZKFFHCDTR-GFCCVEGCSA-N 1 1 294.374 0.977 50 0 CCAAMO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2cn[nH]n2)C1 ZINC000534634213 328332947 /nfs/dbraw/zinc/33/29/47/328332947.db2.gz MFXBWHLDWMOGJK-VIFPVBQESA-N 1 1 251.334 0.655 50 0 CCAAMO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2cnn[nH]2)C1 ZINC000534634213 328332949 /nfs/dbraw/zinc/33/29/49/328332949.db2.gz MFXBWHLDWMOGJK-VIFPVBQESA-N 1 1 251.334 0.655 50 0 CCAAMO 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349609951 /nfs/dbraw/zinc/60/99/51/349609951.db2.gz KTJHTWSOKHXTPB-GFCCVEGCSA-N 1 1 268.357 0.489 50 0 CCAAMO CCC[NH+]1CCC(CC(=O)N[C@@H](C)c2nn[nH]n2)CC1 ZINC000095382213 349605227 /nfs/dbraw/zinc/60/52/27/349605227.db2.gz RNFYJRAKBSYLCM-JTQLQIEISA-N 1 1 280.376 0.889 50 0 CCAAMO C[C@@H]1[C@H](C)N(C(=O)Cn2ccccc2=O)CC[N@@H+]1C ZINC000095983385 349615792 /nfs/dbraw/zinc/61/57/92/349615792.db2.gz YMGIWLUTBWDLPD-NEPJUHHUSA-N 1 1 263.341 0.399 50 0 CCAAMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)Cn1ccccc1=O ZINC000095983387 349616721 /nfs/dbraw/zinc/61/67/21/349616721.db2.gz YMGIWLUTBWDLPD-VXGBXAGGSA-N 1 1 263.341 0.399 50 0 CCAAMO CN(C(=O)c1nn(C)cc1Cl)[C@H]1CC[N@@H+](C)C1 ZINC000097323864 349637660 /nfs/dbraw/zinc/63/76/60/349637660.db2.gz NLQHHBNEXUHTGC-QMMMGPOBSA-N 1 1 256.737 0.850 50 0 CCAAMO CC(C)c1nc(C[NH+]2C[C@@H](CO)[C@H](CO)C2)co1 ZINC000097813869 349648888 /nfs/dbraw/zinc/64/88/88/349648888.db2.gz OMRPOFQNBIQHDV-QWRGUYRKSA-N 1 1 254.330 0.831 50 0 CCAAMO COCC[N@H+]1CCN(c2cc(C)[nH+]c(N)n2)C[C@@H]1C ZINC000106906115 349734684 /nfs/dbraw/zinc/73/46/84/349734684.db2.gz BPRZVDZKFWKITH-NSHDSACASA-N 1 1 265.361 0.524 50 0 CCAAMO CCOC(=O)[C@@]12CNC(=O)[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000601014160 362129560 /nfs/dbraw/zinc/12/95/60/362129560.db2.gz AEIQIDJIDDKKDS-XJKSGUPXSA-N 1 1 288.347 0.798 50 0 CCAAMO CNS(=O)(=O)C[C@@H]1CCCN1c1cc(C)[nH+]c(C)n1 ZINC000096455852 530019684 /nfs/dbraw/zinc/01/96/84/530019684.db2.gz GYHQFEJMJBMDRA-NSHDSACASA-N 1 1 284.385 0.611 50 0 CCAAMO C[N@@H+]1CCCN(S(=O)(=O)c2ccccn2)CC1 ZINC000096490354 530054076 /nfs/dbraw/zinc/05/40/76/530054076.db2.gz WFIVBQWURNGSHD-UHFFFAOYSA-N 1 1 255.343 0.408 50 0 CCAAMO C[N@H+]1CCCN(S(=O)(=O)c2ccccn2)CC1 ZINC000096490354 530054077 /nfs/dbraw/zinc/05/40/77/530054077.db2.gz WFIVBQWURNGSHD-UHFFFAOYSA-N 1 1 255.343 0.408 50 0 CCAAMO CC[C@@H](C(N)=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119751079 349952256 /nfs/dbraw/zinc/95/22/56/349952256.db2.gz LLVUMWWIXWIVBW-IXXDHKBRSA-N 1 1 294.443 0.493 50 0 CCAAMO CCOCC(=O)N1CCC(C[N@H+]2CCN(C)C[C@@H]2C)CC1 ZINC000085468075 179073479 /nfs/dbraw/zinc/07/34/79/179073479.db2.gz DXLBWPKWBLQOKW-AWEZNQCLSA-N 1 1 297.443 0.897 50 0 CCAAMO C[NH+](C)CCCNC[C@H](O)COc1ccccc1 ZINC000001817474 347962846 /nfs/dbraw/zinc/96/28/46/347962846.db2.gz XELOOTAZVDARBY-ZDUSSCGKSA-N 1 1 252.358 0.968 50 0 CCAAMO CN(C)CCC[NH2+]C[C@H](O)COc1ccccc1 ZINC000001817474 347962849 /nfs/dbraw/zinc/96/28/49/347962849.db2.gz XELOOTAZVDARBY-ZDUSSCGKSA-N 1 1 252.358 0.968 50 0 CCAAMO CC[NH+]1CCN(c2nc3ccccn3c(=O)c2C=O)CC1 ZINC000003882580 347987238 /nfs/dbraw/zinc/98/72/38/347987238.db2.gz GMZLSUYJTQDLMD-UHFFFAOYSA-N 1 1 286.335 0.649 50 0 CCAAMO O=C(C[NH+]1CCC(O)CC1)NC(=O)Nc1ccccc1 ZINC000012907393 348023317 /nfs/dbraw/zinc/02/33/17/348023317.db2.gz KKJFRJAZFPZFHU-UHFFFAOYSA-N 1 1 277.324 0.791 50 0 CCAAMO Cn1c2ccccc2n(CC(=O)N2CC[NH+](C)CC2)c1=O ZINC000019823138 348071073 /nfs/dbraw/zinc/07/10/73/348071073.db2.gz OSPPNAOFKWDODR-UHFFFAOYSA-N 1 1 288.351 0.114 50 0 CCAAMO CN(C)C(=O)[C@H]1CCC[N@H+]1Cc1ccc(C(N)=O)cc1 ZINC000027567332 348100610 /nfs/dbraw/zinc/10/06/10/348100610.db2.gz VVVJJZBMLKHQKY-CYBMUJFWSA-N 1 1 275.352 0.838 50 0 CCAAMO COC(=O)c1ccc(S(=O)(=O)N2CC[NH2+]CC2)cc1 ZINC000034792207 348150977 /nfs/dbraw/zinc/15/09/77/348150977.db2.gz FQJMCGFRMREGCH-UHFFFAOYSA-N 1 1 284.337 0.067 50 0 CCAAMO O=C(Cc1ccccc1F)N1CC[NH+](CCO)CC1 ZINC000035107347 348156513 /nfs/dbraw/zinc/15/65/13/348156513.db2.gz UDVYBYRRZGKXOJ-UHFFFAOYSA-N 1 1 266.316 0.505 50 0 CCAAMO COCC[N@@H+](C)CCCNC(=O)c1cnccn1 ZINC000041950978 348262233 /nfs/dbraw/zinc/26/22/33/348262233.db2.gz CWDWXDGLHLOSME-UHFFFAOYSA-N 1 1 252.318 0.175 50 0 CCAAMO CCOC(=O)[C@@H]1CCC[N@@H+](C[C@H](O)Cn2cccn2)C1 ZINC000044974422 348331451 /nfs/dbraw/zinc/33/14/51/348331451.db2.gz WGBARWOESWCSHJ-OLZOCXBDSA-N 1 1 281.356 0.519 50 0 CCAAMO Cc1cc(N2CCC[C@@H](NS(C)(=O)=O)C2)nc(C)[nH+]1 ZINC000048251806 348403828 /nfs/dbraw/zinc/40/38/28/348403828.db2.gz SVTKHUQEZVXDKK-LLVKDONJSA-N 1 1 284.385 0.611 50 0 CCAAMO Cc1cnc(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)cn1 ZINC000061650311 348657638 /nfs/dbraw/zinc/65/76/38/348657638.db2.gz YHGMGMOGDZUIBG-RYUDHWBXSA-N 1 1 276.340 0.378 50 0 CCAAMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccccn1 ZINC000061650421 348657712 /nfs/dbraw/zinc/65/77/12/348657712.db2.gz ROZUEPKSVFPYDU-NWDGAFQWSA-N 1 1 261.325 0.675 50 0 CCAAMO O=C1OCC[C@H]1N1CC[NH+](CCOc2ccccc2)CC1 ZINC000058596566 348629818 /nfs/dbraw/zinc/62/98/18/348629818.db2.gz KPKUVXFJEWDHIO-OAHLLOKOSA-N 1 1 290.363 0.999 50 0 CCAAMO Cc1cccc(OCC[N@H+](C)C[C@H](O)CO)c1C ZINC000065387185 348712977 /nfs/dbraw/zinc/71/29/77/348712977.db2.gz XQDSKBCDYYTYRP-ZDUSSCGKSA-N 1 1 253.342 0.967 50 0 CCAAMO CC(C)(C[NH3+])NS(=O)(=O)c1c(F)cccc1F ZINC000063020694 348676070 /nfs/dbraw/zinc/67/60/70/348676070.db2.gz PNYPSYYVRCXKIH-UHFFFAOYSA-N 1 1 264.297 0.980 50 0 CCAAMO O=c1[nH]nc(CCC[NH+]2CCOCC2)n1C1CCCC1 ZINC000065372284 348711976 /nfs/dbraw/zinc/71/19/76/348711976.db2.gz BWFCBNNGVSJMLM-UHFFFAOYSA-N 1 1 280.372 0.951 50 0 CCAAMO C[N@@H+]1CCN(C(=O)C[NH+]2CCCCCCC2)C[C@@H]1C(=O)[O-] ZINC000067473113 348774581 /nfs/dbraw/zinc/77/45/81/348774581.db2.gz VSFGIANGOXSFQQ-CYBMUJFWSA-N 1 1 297.399 0.480 50 0 CCAAMO C[N@H+]1CCN(C(=O)C[NH+]2CCCCCCC2)C[C@@H]1C(=O)[O-] ZINC000067473113 348774585 /nfs/dbraw/zinc/77/45/85/348774585.db2.gz VSFGIANGOXSFQQ-CYBMUJFWSA-N 1 1 297.399 0.480 50 0 CCAAMO CCOC(=O)c1cnc(N2CC[NH+](C)CC2)nc1 ZINC000066322732 348740078 /nfs/dbraw/zinc/74/00/78/348740078.db2.gz JONRKCYOPKYPNN-UHFFFAOYSA-N 1 1 250.302 0.405 50 0 CCAAMO O[C@@H](C[NH2+]Cc1nnnn1C1CC1)COc1ccccc1 ZINC000069179675 348835814 /nfs/dbraw/zinc/83/58/14/348835814.db2.gz OPBMYQHCQHDQPZ-LBPRGKRZSA-N 1 1 289.339 0.538 50 0 CCAAMO C[C@@H]1C[C@H]([N@@H+]2CCC[C@@H]2Cn2cncn2)C(=O)O1 ZINC000069600858 348854042 /nfs/dbraw/zinc/85/40/42/348854042.db2.gz KMOFNNJZGYOJNH-MXWKQRLJSA-N 1 1 250.302 0.447 50 0 CCAAMO C[C@@H]1C[C@H]([N@H+]2CCC[C@@H]2Cn2cncn2)C(=O)O1 ZINC000069600858 348854044 /nfs/dbraw/zinc/85/40/44/348854044.db2.gz KMOFNNJZGYOJNH-MXWKQRLJSA-N 1 1 250.302 0.447 50 0 CCAAMO c1nc2n(n1)C[C@H]([NH2+]Cc1cnn(-c3ccccc3)n1)CC2 ZINC000069596035 348854547 /nfs/dbraw/zinc/85/45/47/348854547.db2.gz HUXUGVSIZBERAS-GFCCVEGCSA-N 1 1 295.350 0.963 50 0 CCAAMO C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H]2Cn2cncn2)C(=O)O1 ZINC000069600868 348854833 /nfs/dbraw/zinc/85/48/33/348854833.db2.gz KMOFNNJZGYOJNH-GMTAPVOTSA-N 1 1 250.302 0.447 50 0 CCAAMO C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H]2Cn2cncn2)C(=O)O1 ZINC000069600868 348854837 /nfs/dbraw/zinc/85/48/37/348854837.db2.gz KMOFNNJZGYOJNH-GMTAPVOTSA-N 1 1 250.302 0.447 50 0 CCAAMO COCCN1CCN(c2ccc(C[NH+](C)C)cn2)CC1 ZINC000069872379 348864161 /nfs/dbraw/zinc/86/41/61/348864161.db2.gz LRCCPFRTQFWPJO-UHFFFAOYSA-N 1 1 278.400 0.912 50 0 CCAAMO CC[C@H](O)C[NH+]1CCN(C(=O)CCc2cnn(C)c2)CC1 ZINC000069901529 348865440 /nfs/dbraw/zinc/86/54/40/348865440.db2.gz CGHSOMJHOVSZOW-AWEZNQCLSA-N 1 1 294.399 0.268 50 0 CCAAMO 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1 1 279.340 0.019 50 0 CCAAMO CCN1CCC([N@@H+]2C[C@@H](CO)[C@H](c3nc(C)no3)C2)CC1 ZINC000253413379 352534105 /nfs/dbraw/zinc/53/41/05/352534105.db2.gz URDOLZSBNTVTBO-GXTWGEPZSA-N 1 1 294.399 0.870 50 0 CCAAMO CCN1CCC([N@H+]2C[C@@H](CO)[C@H](c3nc(C)no3)C2)CC1 ZINC000253413379 352534108 /nfs/dbraw/zinc/53/41/08/352534108.db2.gz URDOLZSBNTVTBO-GXTWGEPZSA-N 1 1 294.399 0.870 50 0 CCAAMO CC(C)N1C(=O)N[C@]2(CC[N@@H+](C[C@H]3CCOC3)C2)C1=O ZINC000107503702 349737925 /nfs/dbraw/zinc/73/79/25/349737925.db2.gz PSSLGFGXHQNZHY-RISCZKNCSA-N 1 1 281.356 0.428 50 0 CCAAMO c1cnn(C[C@H]2C[N@@H+](CCC3OCCO3)CCO2)c1 ZINC000097161641 185551457 /nfs/dbraw/zinc/55/14/57/185551457.db2.gz MGPMPWGJOIKWQW-GFCCVEGCSA-N 1 1 267.329 0.347 50 0 CCAAMO CS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2cccnc2N)C1 ZINC000253428723 352535850 /nfs/dbraw/zinc/53/58/50/352535850.db2.gz KVKDHAKFRKZPES-NSHDSACASA-N 1 1 298.412 0.425 50 0 CCAAMO CS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2cccnc2N)C1 ZINC000253428723 352535853 /nfs/dbraw/zinc/53/58/53/352535853.db2.gz KVKDHAKFRKZPES-NSHDSACASA-N 1 1 298.412 0.425 50 0 CCAAMO CC(C)[NH+](CCN[C@H]1CCS(=O)(=O)C1)C(C)C ZINC000019803686 348071137 /nfs/dbraw/zinc/07/11/37/348071137.db2.gz SNPWZMCAOWAXOA-LBPRGKRZSA-N 1 1 262.419 0.882 50 0 CCAAMO CCCN1CCC([NH2+]CCN2CCOCC2)CC1 ZINC000019953947 348074952 /nfs/dbraw/zinc/07/49/52/348074952.db2.gz ARAOJSMEJUKCAB-UHFFFAOYSA-N 1 1 255.406 0.783 50 0 CCAAMO CCC[NH+]1CCC(NCCN2CCOCC2)CC1 ZINC000019953947 348074953 /nfs/dbraw/zinc/07/49/53/348074953.db2.gz ARAOJSMEJUKCAB-UHFFFAOYSA-N 1 1 255.406 0.783 50 0 CCAAMO C(c1nnnn1C1CC1)[NH+]1CCC2(CC1)OCCO2 ZINC000026938857 348095800 /nfs/dbraw/zinc/09/58/00/348095800.db2.gz BVXHVRPDEJKJAR-UHFFFAOYSA-N 1 1 265.317 0.347 50 0 CCAAMO C[C@@H](CNC(=O)c1ccc[nH]c1=O)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000032828520 348139814 /nfs/dbraw/zinc/13/98/14/348139814.db2.gz JNKZHCZZKGRSQH-QJPTWQEYSA-N 1 1 293.367 0.602 50 0 CCAAMO COC[C@H](O)C[N@@H+](C)CCCn1c(=O)[nH]c2ccccc21 ZINC000050117909 348468554 /nfs/dbraw/zinc/46/85/54/348468554.db2.gz RWNQEYQOMITDTJ-GFCCVEGCSA-N 1 1 293.367 0.659 50 0 CCAAMO CCN(CC)C(=O)C[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000053815835 348534759 /nfs/dbraw/zinc/53/47/59/348534759.db2.gz MTEXXSPGGIIJIF-NSHDSACASA-N 1 1 255.362 0.407 50 0 CCAAMO CCN(CC)C(=O)C[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000053815835 348534762 /nfs/dbraw/zinc/53/47/62/348534762.db2.gz MTEXXSPGGIIJIF-NSHDSACASA-N 1 1 255.362 0.407 50 0 CCAAMO OCC[NH+]1CCN(C[C@@H](O)c2ccccc2F)CC1 ZINC000057556199 348611298 /nfs/dbraw/zinc/61/12/98/348611298.db2.gz DWIGZKFZRGTXJJ-CQSZACIVSA-N 1 1 268.332 0.469 50 0 CCAAMO COC(=O)[C@@H]1[C@H](C(=O)OC)[C@H]2CCC[N@H+]2C1(C)C ZINC000054969049 348566103 /nfs/dbraw/zinc/56/61/03/348566103.db2.gz QZOLDQZLTJTYLN-BBBLOLIVSA-N 1 1 255.314 0.821 50 0 CCAAMO CC(C)[N@@H+]1CCNC(=O)[C@@H]1CC(=O)NC1(CO)CCCC1 ZINC000055042504 348568627 /nfs/dbraw/zinc/56/86/27/348568627.db2.gz RIYGBDBFTGDNNI-LBPRGKRZSA-N 1 1 297.399 0.007 50 0 CCAAMO CC(C)[N@H+]1CCNC(=O)[C@@H]1CC(=O)NC1(CO)CCCC1 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Cc1nc(CNc2nc(C)nc3c2CC[N@@H+](C)CC3)n[nH]1 ZINC000065458666 348717352 /nfs/dbraw/zinc/71/73/52/348717352.db2.gz KWDLMJCMPDLFBB-UHFFFAOYSA-N 1 1 287.371 0.854 50 0 CCAAMO CC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1CC(=O)NCC1CC1 ZINC000069597820 348854499 /nfs/dbraw/zinc/85/44/99/348854499.db2.gz ADKLQASUSHEHCD-CABCVRRESA-N 1 1 293.411 0.988 50 0 CCAAMO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1CC(=O)NCC1CC1 ZINC000069597816 348854596 /nfs/dbraw/zinc/85/45/96/348854596.db2.gz ADKLQASUSHEHCD-HUUCEWRRSA-N 1 1 293.411 0.988 50 0 CCAAMO C[C@@H]1C[C@H]([N@@H+]2CCC[C@H](Cn3cncn3)C2)C(=O)O1 ZINC000069628195 348855767 /nfs/dbraw/zinc/85/57/67/348855767.db2.gz NDBDPBMMWXOJLU-WOPDTQHZSA-N 1 1 264.329 0.694 50 0 CCAAMO C[C@@H]1C[C@H]([N@H+]2CCC[C@H](Cn3cncn3)C2)C(=O)O1 ZINC000069628195 348855771 /nfs/dbraw/zinc/85/57/71/348855771.db2.gz NDBDPBMMWXOJLU-WOPDTQHZSA-N 1 1 264.329 0.694 50 0 CCAAMO Cn1cc([C@H]2CCC[N@H+]2CCCNS(C)(=O)=O)cn1 ZINC000069698069 348857356 /nfs/dbraw/zinc/85/73/56/348857356.db2.gz 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/nfs/dbraw/zinc/91/18/28/348911828.db2.gz WOBYOLQLHIFABK-STQMWFEESA-N 1 1 299.415 0.916 50 0 CCAAMO CCN(CC)C(=O)C[N@H+](C)CCc1cnn(C)c1 ZINC000077247552 349104090 /nfs/dbraw/zinc/10/40/90/349104090.db2.gz RGERVGHVSWETLG-UHFFFAOYSA-N 1 1 252.362 0.763 50 0 CCAAMO CCN(CC)C(=O)C[N@@H+](C)CCc1cnn(C)c1 ZINC000077247552 349104094 /nfs/dbraw/zinc/10/40/94/349104094.db2.gz RGERVGHVSWETLG-UHFFFAOYSA-N 1 1 252.362 0.763 50 0 CCAAMO C[C@H]1C[N@@H+](C)C[C@@H]1NS(=O)(=O)c1ccc2c(c1)COC2 ZINC000078898975 349158994 /nfs/dbraw/zinc/15/89/94/349158994.db2.gz LBJVZMBXQFKYIF-HZMBPMFUSA-N 1 1 296.392 0.945 50 0 CCAAMO COC[C@H](C)[NH+]1CCN(C(=O)[C@@H](C)CC(=O)OC)CC1 ZINC000079101779 349168091 /nfs/dbraw/zinc/16/80/91/349168091.db2.gz XTHQDUIIHRPCBJ-RYUDHWBXSA-N 1 1 286.372 0.365 50 0 CCAAMO CC[C@@H]1CN(C(=O)CCn2cnnn2)CC[N@H+]1C(C)C ZINC000082138271 349291007 /nfs/dbraw/zinc/29/10/07/349291007.db2.gz JMBLBPAQJOBQBV-GFCCVEGCSA-N 1 1 280.376 0.394 50 0 CCAAMO Cc1cnc(C)c(NC2CC[NH+](CC(N)=O)CC2)n1 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CN1N=C(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CCC1=O ZINC000040522681 174311023 /nfs/dbraw/zinc/31/10/23/174311023.db2.gz LXSDSKUYKWLJOY-SNVBAGLBSA-N 1 1 278.356 0.195 50 0 CCAAMO O=c1n2ccccc2nn1CC[NH+]1CCSCC1 ZINC000040540676 174322260 /nfs/dbraw/zinc/32/22/60/174322260.db2.gz ONBRLRJZTLWRTC-UHFFFAOYSA-N 1 1 264.354 0.545 50 0 CCAAMO C[C@H]1CCCC[C@@H]1OCC[NH+]1CCN(CC(N)=O)CC1 ZINC000046054737 175391209 /nfs/dbraw/zinc/39/12/09/175391209.db2.gz XVZCOVYACBUQPY-KBPBESRZSA-N 1 1 283.416 0.685 50 0 CCAAMO O[C@@H](Cn1nnc(-c2ccccc2)n1)C[NH+]1CCOCC1 ZINC000065590908 175752735 /nfs/dbraw/zinc/75/27/35/175752735.db2.gz DVPGJFKZBWFIMC-CYBMUJFWSA-N 1 1 289.339 0.033 50 0 CCAAMO CCOc1ccc(C(=O)N2CC[NH+](C[C@H](C)O)CC2)cn1 ZINC000071871307 176283385 /nfs/dbraw/zinc/28/33/85/176283385.db2.gz FXVKBCYJYLYZCL-LBPRGKRZSA-N 1 1 293.367 0.619 50 0 CCAAMO CC(C)(O)C[NH+]1CCN(C(=O)COC2CCCC2)CC1 ZINC000071881853 176288582 /nfs/dbraw/zinc/28/85/82/176288582.db2.gz WQRFUYXRJTUVOT-UHFFFAOYSA-N 1 1 284.400 0.861 50 0 CCAAMO Cn1nc2c(cc1=O)C[N@H+](CCc1ccncc1)CC2 ZINC000072302347 176365623 /nfs/dbraw/zinc/36/56/23/176365623.db2.gz YTJLYJLHCPSDNR-UHFFFAOYSA-N 1 1 270.336 0.776 50 0 CCAAMO Cc1nc(CCNC[C@@]2(O)CC[NH2+]C2)nc2c1CCCC2 ZINC000072411804 176398903 /nfs/dbraw/zinc/39/89/03/176398903.db2.gz XAPOARKVIOIWFZ-INIZCTEOSA-N 1 1 290.411 0.520 50 0 CCAAMO O[C@]1(CNCCc2nc3c(s2)CCCC3)CC[NH2+]C1 ZINC000077355576 177256633 /nfs/dbraw/zinc/25/66/33/177256633.db2.gz XHWMPUSPXUMWEJ-AWEZNQCLSA-N 1 1 281.425 0.878 50 0 CCAAMO CN(Cc1n[nH]c2c1CCCCC2)C[C@@]1(O)CC[NH2+]C1 ZINC000077470448 177271532 /nfs/dbraw/zinc/27/15/32/177271532.db2.gz ZFSFUGYRVURYIQ-OAHLLOKOSA-N 1 1 278.400 0.835 50 0 CCAAMO CC(C)[N@@H+](C)CC(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000084575470 544492210 /nfs/dbraw/zinc/49/22/10/544492210.db2.gz AVXWZSVKESGODD-KGLIPLIRSA-N 1 1 283.416 0.384 50 0 CCAAMO CC[C@@H]1CN(C(=O)c2c[nH]c(=O)[nH]c2=O)CC[N@H+]1C(C)C ZINC000216254118 544814363 /nfs/dbraw/zinc/81/43/63/544814363.db2.gz BRSMVTUDFXFEDB-SNVBAGLBSA-N 1 1 294.355 0.008 50 0 CCAAMO COc1cc(OC)nc(NC(=O)Cn2cc[nH+]c2C)n1 ZINC000029937975 260139533 /nfs/dbraw/zinc/13/95/33/260139533.db2.gz QQZQFHIZJRBNRB-UHFFFAOYSA-N 1 1 277.284 0.637 50 0 CCAAMO CCNC(=O)NC(=O)C[N@@H+]1CCN(C)c2ccccc2C1 ZINC000069090317 276260266 /nfs/dbraw/zinc/26/02/66/276260266.db2.gz MSESNZHAXRXNAL-UHFFFAOYSA-N 1 1 290.367 0.784 50 0 CCAAMO CCNC(=O)NC(=O)C[N@H+]1CCN(C)c2ccccc2C1 ZINC000069090317 276260268 /nfs/dbraw/zinc/26/02/68/276260268.db2.gz MSESNZHAXRXNAL-UHFFFAOYSA-N 1 1 290.367 0.784 50 0 CCAAMO C[N@@H+]1C[C@@H]2CC[C@H](C1)N(Cc1cc3n(n1)CCNC3)C2 ZINC000215564980 277205857 /nfs/dbraw/zinc/20/58/57/277205857.db2.gz OCPZVHFMVZSIBP-GXTWGEPZSA-N 1 1 275.400 0.512 50 0 CCAAMO C[N@H+]1C[C@@H]2CC[C@H](C1)N(Cc1cc3n(n1)CCNC3)C2 ZINC000215564980 277205858 /nfs/dbraw/zinc/20/58/58/277205858.db2.gz OCPZVHFMVZSIBP-GXTWGEPZSA-N 1 1 275.400 0.512 50 0 CCAAMO COCCn1ccnc1C[N@@H+]1CCCC[C@@H]1CC(N)=O ZINC000215205727 277243279 /nfs/dbraw/zinc/24/32/79/277243279.db2.gz NMVFNPJICGHNKS-GFCCVEGCSA-N 1 1 280.372 0.759 50 0 CCAAMO COCCn1ccnc1C[N@H+]1CCCC[C@@H]1CC(N)=O ZINC000215205727 277243280 /nfs/dbraw/zinc/24/32/80/277243280.db2.gz NMVFNPJICGHNKS-GFCCVEGCSA-N 1 1 280.372 0.759 50 0 CCAAMO COC(=O)c1n[nH]c2c1CN(c1nc(N)[nH+]cc1C)CC2 ZINC000091974012 277451862 /nfs/dbraw/zinc/45/18/62/277451862.db2.gz RPNCBZFPLNIPCB-UHFFFAOYSA-N 1 1 288.311 0.440 50 0 CCAAMO C[C@H](CNC(=O)c1ccc[nH]c1=O)CN1CC[NH+](C)CC1 ZINC000265148087 278207284 /nfs/dbraw/zinc/20/72/84/278207284.db2.gz XXDVBBTWLDQSIL-GFCCVEGCSA-N 1 1 292.383 0.401 50 0 CCAAMO CC1(C(=O)NCC2(C[NH+]3CCOCC3)CC2)COC1 ZINC000534575327 328309782 /nfs/dbraw/zinc/30/97/82/328309782.db2.gz YCICESWZTDDVHS-UHFFFAOYSA-N 1 1 268.357 0.252 50 0 CCAAMO C[NH+](C)C[C@@H](O)CNC1CSCCSC1 ZINC000534592217 328318611 /nfs/dbraw/zinc/31/86/11/328318611.db2.gz RNWHFUANTBYPJV-JTQLQIEISA-N 1 1 250.433 0.347 50 0 CCAAMO COc1cc(C(=O)N[C@H]2C[N@H+](C)C[C@@H]2OC)ccn1 ZINC000534639350 328335145 /nfs/dbraw/zinc/33/51/45/328335145.db2.gz MJDJAACVFSTULP-QWRGUYRKSA-N 1 1 265.313 0.149 50 0 CCAAMO CCc1nnc(CNC(=O)C[C@@H]2C[N@H+](C(C)C)CCO2)o1 ZINC000534673863 328348975 /nfs/dbraw/zinc/34/89/75/328348975.db2.gz JSPNCIBEXWYEGV-LLVKDONJSA-N 1 1 296.371 0.748 50 0 CCAAMO CCS(=O)(=O)NC[C@@H](C)[NH2+]Cc1nccn1C(C)C ZINC000534662604 328350321 /nfs/dbraw/zinc/35/03/21/328350321.db2.gz MLLXFEAUJQLADX-LLVKDONJSA-N 1 1 288.417 0.881 50 0 CCAAMO C[C@H](CCNc1cncc(C(N)=O)n1)N1CC[NH+](C)CC1 ZINC000534663306 328350987 /nfs/dbraw/zinc/35/09/87/328350987.db2.gz OGWXBEOKUXSPOO-LLVKDONJSA-N 1 1 292.387 0.013 50 0 CCAAMO NC(=O)CC[C@@H]1CCCN(C(=O)[C@@H]2CSC[NH2+]2)C1 ZINC000156403463 526875284 /nfs/dbraw/zinc/87/52/84/526875284.db2.gz SUZGMPHWXZKHDN-UWVGGRQHSA-N 1 1 271.386 0.153 50 0 CCAAMO O=C(Cn1cccc1)NCC[N@@H+]1CCCC[C@H]1CO ZINC000670435767 545234766 /nfs/dbraw/zinc/23/47/66/545234766.db2.gz KVPPVNLNGWCWCP-ZDUSSCGKSA-N 1 1 265.357 0.451 50 0 CCAAMO CC(C)(CN1CCOCC1)C[N@H+]1CC[C@@H](CO)C1 ZINC000670437351 545234961 /nfs/dbraw/zinc/23/49/61/545234961.db2.gz OOVHHPJASRNGSA-CYBMUJFWSA-N 1 1 256.390 0.659 50 0 CCAAMO CO[C@H]1C[N@H+](Cc2ccnc(C(C)C)n2)C[C@@H]1O ZINC000670461970 545236586 /nfs/dbraw/zinc/23/65/86/545236586.db2.gz LFBIHANRNAAXSZ-RYUDHWBXSA-N 1 1 251.330 0.792 50 0 CCAAMO CO[C@H]1C[N@@H+](Cc2ccnc(C(C)C)n2)C[C@@H]1O ZINC000670461970 545236587 /nfs/dbraw/zinc/23/65/87/545236587.db2.gz LFBIHANRNAAXSZ-RYUDHWBXSA-N 1 1 251.330 0.792 50 0 CCAAMO COCC[C@H]1C[N@H+](CCn2cnnc2C)CCO1 ZINC000670461301 545236751 /nfs/dbraw/zinc/23/67/51/545236751.db2.gz UUNPKCOEXBFWBZ-LBPRGKRZSA-N 1 1 254.334 0.324 50 0 CCAAMO COCC[C@H]1C[N@@H+](CCn2cnnc2C)CCO1 ZINC000670461301 545236752 /nfs/dbraw/zinc/23/67/52/545236752.db2.gz UUNPKCOEXBFWBZ-LBPRGKRZSA-N 1 1 254.334 0.324 50 0 CCAAMO OC[C@@H]1CCCC[N@H+]1CCCNc1ncnc2nc[nH]c21 ZINC000670469791 545237401 /nfs/dbraw/zinc/23/74/01/545237401.db2.gz LPUWKPQTLLMWHA-NSHDSACASA-N 1 1 290.371 0.953 50 0 CCAAMO OC[C@@H]1CCCC[N@@H+]1CCCNc1ncnc2[nH]cnc21 ZINC000670469791 545237402 /nfs/dbraw/zinc/23/74/02/545237402.db2.gz LPUWKPQTLLMWHA-NSHDSACASA-N 1 1 290.371 0.953 50 0 CCAAMO OC[C@@H]1CCCC[N@H+]1CCCNc1ncnc2[nH]cnc21 ZINC000670469791 545237403 /nfs/dbraw/zinc/23/74/03/545237403.db2.gz LPUWKPQTLLMWHA-NSHDSACASA-N 1 1 290.371 0.953 50 0 CCAAMO C[NH+]1CCN(c2cc(N3CCC[C@H]3CO)ncn2)CC1 ZINC000083881695 536419846 /nfs/dbraw/zinc/41/98/46/536419846.db2.gz JGFBOJCROAZRBX-LBPRGKRZSA-N 1 1 277.372 0.190 50 0 CCAAMO CC1=C(C(=O)NCCC[N@H+]2CCC[C@@H](CO)C2)OCCO1 ZINC000952992180 614949118 /nfs/dbraw/zinc/94/91/18/614949118.db2.gz ZUEVUJYFFVQAKL-CYBMUJFWSA-N 1 1 298.383 0.475 50 0 CCAAMO CCn1ccc(CNCC[N@H+]2CCCC[C@H]2CO)n1 ZINC000952991228 616031575 /nfs/dbraw/zinc/03/15/75/616031575.db2.gz VBJKMGIMLWLIPT-AWEZNQCLSA-N 1 1 266.389 0.839 50 0 CCAAMO CCn1ccc(C[NH2+]CCN2CCCC[C@H]2CO)n1 ZINC000952991228 616031576 /nfs/dbraw/zinc/03/15/76/616031576.db2.gz VBJKMGIMLWLIPT-AWEZNQCLSA-N 1 1 266.389 0.839 50 0 CCAAMO Cn1ccnc1CN(CCO)CC[N@H+]1C[C@H]2CC[C@@H]1C2 ZINC000244673830 630844031 /nfs/dbraw/zinc/84/40/31/630844031.db2.gz HWJGWXBIQRNQGF-UONOGXRCSA-N 1 1 278.400 0.699 50 0 CCAAMO C[N@@H+](Cc1nc(C(N)=O)no1)CC1CCOCC1 ZINC000252505688 631555525 /nfs/dbraw/zinc/55/55/25/631555525.db2.gz VSQFTKRRRVNISQ-UHFFFAOYSA-N 1 1 254.290 0.027 50 0 CCAAMO C[N@H+](Cc1nc(C(N)=O)no1)CC1CCOCC1 ZINC000252505688 631555533 /nfs/dbraw/zinc/55/55/33/631555533.db2.gz VSQFTKRRRVNISQ-UHFFFAOYSA-N 1 1 254.290 0.027 50 0 CCAAMO O=C(N1CCNC1=O)N1CCC[N@H+](C2CCC2)CC1 ZINC000828314951 648306420 /nfs/dbraw/zinc/30/64/20/648306420.db2.gz FFZVJYQYFIPPHP-UHFFFAOYSA-N 1 1 266.345 0.692 50 0 CCAAMO O=C(Cc1cc(F)ccc1O)NCC[N@H+]1CCCOCC1 ZINC000952994034 649615640 /nfs/dbraw/zinc/61/56/40/649615640.db2.gz OLSURFNBXHZRBE-UHFFFAOYSA-N 1 1 296.342 0.912 50 0 CCAAMO C[C@@H](CCC(=O)NCCCc1nn[nH]n1)[NH+]1CCCC1 ZINC000426526772 812841354 /nfs/dbraw/zinc/84/13/54/812841354.db2.gz CJXVIMLWRBLBJC-NSHDSACASA-N 1 1 280.376 0.513 50 0 CCAAMO CC(C)(CN1CCOCC1)C[N@H+]1CCO[C@@H](CCO)C1 ZINC000032534826 816300414 /nfs/dbraw/zinc/30/04/14/816300414.db2.gz MBIUTTSCOPWNAS-AWEZNQCLSA-N 1 1 286.416 0.428 50 0 CCAAMO CC(C)(CN1CCO[C@@H](CCO)C1)C[NH+]1CCOCC1 ZINC000032534826 816300428 /nfs/dbraw/zinc/30/04/28/816300428.db2.gz MBIUTTSCOPWNAS-AWEZNQCLSA-N 1 1 286.416 0.428 50 0 CCAAMO NC(=O)NCC(=O)NC[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000534657439 819398264 /nfs/dbraw/zinc/39/82/64/819398264.db2.gz CVYAAWDZKAZMJH-LLVKDONJSA-N 1 1 282.388 0.426 50 0 CCAAMO CC(C)n1cnnc1CN1CCC2(CC1)C[NH2+]CCO2 ZINC000822288487 821479116 /nfs/dbraw/zinc/47/91/16/821479116.db2.gz QKBRRFHISHCBMC-UHFFFAOYSA-N 1 1 279.388 0.813 50 0 CCAAMO CN(C)C1(CNC(=O)C[C@H]2CCOC2)CC[NH+](C)CC1 ZINC000823759395 821534650 /nfs/dbraw/zinc/53/46/50/821534650.db2.gz DOIPBTFTSCUMKU-CYBMUJFWSA-N 1 1 283.416 0.555 50 0 CCAAMO C[C@@H](CN1CCN(C)CC1)[NH2+]CC1(Cn2ccnc2)CC1 ZINC000823789488 821541470 /nfs/dbraw/zinc/54/14/70/821541470.db2.gz WLNIBGHPTLGRJG-HNNXBMFYSA-N 1 1 291.443 0.889 50 0 CCAAMO COCC[C@H]1CN(CC(C)(C)N2CCOCC2)CCO1 ZINC000824384131 821628640 /nfs/dbraw/zinc/62/86/40/821628640.db2.gz MZHUBKFYZYOSQQ-AWEZNQCLSA-N 1 1 286.416 0.835 50 0 CCAAMO COCCc1ncc(C[N@H+]2CC[C@H](OC)C2)cn1 ZINC000824462345 821631738 /nfs/dbraw/zinc/63/17/38/821631738.db2.gz IEWRCIMYWPXYHJ-LBPRGKRZSA-N 1 1 251.330 0.886 50 0 CCAAMO OC1(C[NH+]2CCCC2)CCN([C@@H]2CCOC2)CC1 ZINC000828605398 821789564 /nfs/dbraw/zinc/78/95/64/821789564.db2.gz WTMRKQLXUXWMGL-CYBMUJFWSA-N 1 1 254.374 0.698 50 0 CCAAMO Nc1ccc(O)cc1C(=O)NCCC[N@H+]1CCC[C@H](O)C1 ZINC000828627344 821790438 /nfs/dbraw/zinc/79/04/38/821790438.db2.gz CWNCFWURNDHEPG-LBPRGKRZSA-N 1 1 293.367 0.551 50 0 CCAAMO CNC(=O)c1ccnc(NCC[N@H+]2CCC[C@@H](CO)C2)c1 ZINC000828711072 821813507 /nfs/dbraw/zinc/81/35/07/821813507.db2.gz BALQYQDTTXADNM-GFCCVEGCSA-N 1 1 292.383 0.557 50 0 CCAAMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](C[C@@H](O)[C@H](C)O)C1 ZINC000585117320 839607625 /nfs/dbraw/zinc/60/76/25/839607625.db2.gz YINZXNCJXOKTGB-IGQOVBAYSA-N 1 1 286.416 0.745 50 0 CCAAMO NC(=O)[C@@H]1CC[N@@H+](Cc2scc3c2OCCO3)C1 ZINC000585117735 839609397 /nfs/dbraw/zinc/60/93/97/839609397.db2.gz VESXZNQJMXCSIY-MRVPVSSYSA-N 1 1 268.338 0.827 50 0 CCAAMO Cc1c[nH+]c(N2CCN(C(=O)[C@H]3CCCO3)CC2)nc1N ZINC000043103044 840263808 /nfs/dbraw/zinc/26/38/08/840263808.db2.gz NAZCMQGWBDVJQQ-LLVKDONJSA-N 1 1 291.355 0.195 50 0 CCAAMO O[C@]1(CN2CCN(CCc3ccccc3)CC2)CC[NH2+]C1 ZINC000952876995 841581552 /nfs/dbraw/zinc/58/15/52/841581552.db2.gz JZYQSLAGOGDLNQ-QGZVFWFLSA-N 1 1 289.423 0.571 50 0 CCAAMO CCC[N@H+]1CCO[C@H](CCNC(=O)c2c[nH]c(=O)cn2)C1 ZINC000067772576 853867256 /nfs/dbraw/zinc/86/72/56/853867256.db2.gz KYMALTIORVUZFG-LLVKDONJSA-N 1 1 294.355 0.001 50 0 CCAAMO CCc1[nH+]ccn1CCNC(=O)[C@H]1CC(=O)N(CC)C1 ZINC000095355777 349601713 /nfs/dbraw/zinc/60/17/13/349601713.db2.gz RKPYQTYEITZDRP-NSHDSACASA-N 1 1 278.356 0.430 50 0 CCAAMO CCC[C@@H](Nc1nc(N)[nH+]cc1CC)C(=O)NC ZINC000095387033 349606005 /nfs/dbraw/zinc/60/60/05/349606005.db2.gz ZRRMQVLBDSOYGR-SECBINFHSA-N 1 1 251.334 0.948 50 0 CCAAMO 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CN(C)C(=O)CN1CCC[N@H+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000089885609 389018679 /nfs/dbraw/zinc/01/86/79/389018679.db2.gz YLPBSVYDGHYPQG-KGLIPLIRSA-N 1 1 283.416 0.386 50 0 CCAAMO CC(C)N1CC[C@@H]([N@@H+]2CCCC3(C2)OCCO3)C1=O ZINC000090562762 389020913 /nfs/dbraw/zinc/02/09/13/389020913.db2.gz LYUIHGIJCZUIRD-GFCCVEGCSA-N 1 1 268.357 0.835 50 0 CCAAMO CC(C)N1CC[C@@H]([N@H+]2CCCC3(C2)OCCO3)C1=O ZINC000090562762 389020916 /nfs/dbraw/zinc/02/09/16/389020916.db2.gz LYUIHGIJCZUIRD-GFCCVEGCSA-N 1 1 268.357 0.835 50 0 CCAAMO O=C(C[N@H+]1CCOCC2(CCOCC2)C1)NC1CC1 ZINC000097372255 389066857 /nfs/dbraw/zinc/06/68/57/389066857.db2.gz AYRSBSPFOIDMAG-UHFFFAOYSA-N 1 1 268.357 0.394 50 0 CCAAMO Cc1ccccc1N1CCC[N@@H+](C[C@@H](O)CO)CC1 ZINC000106253441 389090825 /nfs/dbraw/zinc/09/08/25/389090825.db2.gz FHOLTLKWIPYBKB-CQSZACIVSA-N 1 1 264.369 0.860 50 0 CCAAMO CC[C@@H](O)C[NH+]1CCN(C(=O)NCc2ccco2)CC1 ZINC000095442622 389042266 /nfs/dbraw/zinc/04/22/66/389042266.db2.gz UWQNHFHLIBSTHW-GFCCVEGCSA-N 1 1 281.356 0.878 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/nfs/dbraw/zinc/32/35/59/174323559.db2.gz VQXNWDROXGNTJO-CQSZACIVSA-N 1 1 283.416 0.555 50 0 CCAAMO C[C@H](C(=O)N(C)C1CCCCC1)N1CC[NH+](CCO)CC1 ZINC000043305499 175003590 /nfs/dbraw/zinc/00/35/90/175003590.db2.gz WLSOEUMPDSSQGC-CQSZACIVSA-N 1 1 297.443 0.776 50 0 CCAAMO Cc1cc(NC(=O)[C@H](C)N2CC[NH+](C[C@H](C)O)CC2)no1 ZINC000069652604 175844500 /nfs/dbraw/zinc/84/45/00/175844500.db2.gz GFLKXLPDOXYKNF-JQWIXIFHSA-N 1 1 296.371 0.308 50 0 CCAAMO C[NH+](C)CC(=O)CCN1C(=O)c2ccccc2C1=O ZINC000071405425 176155847 /nfs/dbraw/zinc/15/58/47/176155847.db2.gz MRJSJKIYAZIXOL-UHFFFAOYSA-N 1 1 260.293 0.803 50 0 CCAAMO Cn1cc([C@H]2CCC[N@H+]2C[C@H](O)Cn2cccn2)cn1 ZINC000071799288 176265757 /nfs/dbraw/zinc/26/57/57/176265757.db2.gz YRYQSOCCFHXMKG-UONOGXRCSA-N 1 1 275.356 0.815 50 0 CCAAMO C[N@@H+](CC(=O)N1CCC[C@H]1Cn1cccn1)C1CC1 ZINC000071872032 176284200 /nfs/dbraw/zinc/28/42/00/176284200.db2.gz ZYCMUHLHPLFETB-ZDUSSCGKSA-N 1 1 262.357 0.968 50 0 CCAAMO CC[NH+]1CCN(C(=O)NCc2c(C)cc(C)[nH]c2=O)CC1 ZINC000071889270 176290773 /nfs/dbraw/zinc/29/07/73/176290773.db2.gz FYOWIJWSYXKKDN-UHFFFAOYSA-N 1 1 292.383 0.839 50 0 CCAAMO C[NH+](C)C[C@@]1(O)CCN(C(=O)c2cc(C3CC3)[nH]n2)C1 ZINC000072170536 176333201 /nfs/dbraw/zinc/33/32/01/176333201.db2.gz IKHJHPZTMBOIEA-AWEZNQCLSA-N 1 1 278.356 0.426 50 0 CCAAMO CS(=O)(=O)NCCC[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000072273110 176354882 /nfs/dbraw/zinc/35/48/82/176354882.db2.gz DJFPHLPHDIZDCG-NSHDSACASA-N 1 1 286.401 0.528 50 0 CCAAMO COCC[C@H](C)NC(=O)NC[C@@H](c1cnn(C)c1)[NH+](C)C ZINC000072287714 176360443 /nfs/dbraw/zinc/36/04/43/176360443.db2.gz FMTBKWVHEAXQAR-AAEUAGOBSA-N 1 1 297.403 0.747 50 0 CCAAMO COC[C@@H](C)S(=O)(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000072287559 176360542 /nfs/dbraw/zinc/36/05/42/176360542.db2.gz DWAIMTBVHSQKLF-GHMZBOCLSA-N 1 1 262.375 0.131 50 0 CCAAMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cnn(C)c1 ZINC000072300179 176364447 /nfs/dbraw/zinc/36/44/47/176364447.db2.gz QUMARUPNGVWXME-VXGBXAGGSA-N 1 1 298.412 0.667 50 0 CCAAMO O[C@@]1(C[NH+]2CCCCC2)CCN(Cc2cnc[nH]2)C1 ZINC000077299666 177250359 /nfs/dbraw/zinc/25/03/59/177250359.db2.gz NBUWGNPKNLGZJW-CQSZACIVSA-N 1 1 264.373 0.832 50 0 CCAAMO Cc1cc(NCc2n[nH]c([C@H]3COCCN3C)n2)cc[nH+]1 ZINC000685941620 545871181 /nfs/dbraw/zinc/87/11/81/545871181.db2.gz ZXJSIIUOEZQQMK-GFCCVEGCSA-N 1 1 288.355 0.545 50 0 CCAAMO Cc1cc(NCc2nnc([C@H]3COCCN3C)[nH]2)cc[nH+]1 ZINC000685941620 545871183 /nfs/dbraw/zinc/87/11/83/545871183.db2.gz ZXJSIIUOEZQQMK-GFCCVEGCSA-N 1 1 288.355 0.545 50 0 CCAAMO C[NH+]1CCN(C(=O)C2CCN(C(=O)C3CC3)CC2)CC1 ZINC000033018954 544420221 /nfs/dbraw/zinc/42/02/21/544420221.db2.gz XFHHNTWKUTXCRG-UHFFFAOYSA-N 1 1 279.384 0.409 50 0 CCAAMO CSC[C@H]1CC[N@@H+](CCCN2C(=O)CNC2=O)C1 ZINC000072292495 544452204 /nfs/dbraw/zinc/45/22/04/544452204.db2.gz DXRYHBWSMHAFGW-JTQLQIEISA-N 1 1 271.386 0.613 50 0 CCAAMO Cc1cnc(C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cn1 ZINC000084258225 544489858 /nfs/dbraw/zinc/48/98/58/544489858.db2.gz IRZIEHOEOGIQSP-KGLIPLIRSA-N 1 1 290.367 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C[C@H]1C[N@@H+](C)CCN1C(=O)c1ccnc(N(C)C)c1 ZINC000089938731 389018221 /nfs/dbraw/zinc/01/82/21/389018221.db2.gz HBSPOHIWMJDYID-NSHDSACASA-N 1 1 262.357 0.924 50 0 CCAAMO C[C@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)CCNS(C)(=O)=O ZINC000096483396 389062086 /nfs/dbraw/zinc/06/20/86/389062086.db2.gz YDTOZSGHDBOEBB-BXUZGUMPSA-N 1 1 298.408 0.860 50 0 CCAAMO CC(=O)N1CCC([N@H+]2CCN3C(=O)OC[C@H]3C2)CC1 ZINC000096111338 389045360 /nfs/dbraw/zinc/04/53/60/389045360.db2.gz NEZDVZDWNJUWCX-GFCCVEGCSA-N 1 1 267.329 0.134 50 0 biogenic,in-vitro CCAAMO CO[C@]1(C)C[C@H](NC(=O)[C@@H]2CSC[NH2+]2)C1(C)C ZINC000121680993 389150164 /nfs/dbraw/zinc/15/01/64/389150164.db2.gz OWVILKJLRWTDEO-HOTUBEGUSA-N 1 1 258.387 0.969 50 0 CCAAMO CC[C@@H]1CN(C(=O)c2ccon2)CC[N@@H+]1C[C@H](C)O ZINC000107506487 389096383 /nfs/dbraw/zinc/09/63/83/389096383.db2.gz VGQCIKVDEUPKRI-WDEREUQCSA-N 1 1 267.329 0.592 50 0 CCAAMO CC[C@@H]1CN(C(=O)c2ccon2)CC[N@H+]1C[C@H](C)O ZINC000107506487 389096386 /nfs/dbraw/zinc/09/63/86/389096386.db2.gz 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CCO[C@H]1C[N@@H+](C)C[C@@H]1NC(=O)Cc1sc(N)nc1C ZINC000584892324 411834925 /nfs/dbraw/zinc/83/49/25/411834925.db2.gz PZVGRLQXJAINHN-UWVGGRQHSA-N 1 1 298.412 0.412 50 0 CCAAMO Cc1ccc(OC[C@@H](O)CN2CC[NH+](CCO)CC2)cc1 ZINC000020707440 171270046 /nfs/dbraw/zinc/27/00/46/171270046.db2.gz RGJWPBRQLITFBG-HNNXBMFYSA-N 1 1 294.395 0.345 50 0 CCAAMO Cc1ccc(OC[C@@H](O)C[NH+]2CCN(CCO)CC2)cc1 ZINC000020707440 171270047 /nfs/dbraw/zinc/27/00/47/171270047.db2.gz RGJWPBRQLITFBG-HNNXBMFYSA-N 1 1 294.395 0.345 50 0 CCAAMO COc1cccc(C[N@H+]2C[C@H](O)[C@@H](N3CCOCC3)C2)c1 ZINC000020778901 171272057 /nfs/dbraw/zinc/27/20/57/171272057.db2.gz BEBMOHFHWHOZRL-HOTGVXAUSA-N 1 1 292.379 0.573 50 0 CCAAMO Cn1cc(CCC(=O)N2CCO[C@@H]3CC[N@@H+](C)C[C@@H]32)cn1 ZINC000285658139 196357151 /nfs/dbraw/zinc/35/71/51/196357151.db2.gz GHYJHWLNQUOLNP-UONOGXRCSA-N 1 1 292.383 0.284 50 0 CCAAMO O=S1(=O)C[C@@H](O)[C@H]([NH2+]Cc2ccc(Cl)cc2)C1 ZINC000037487323 173230424 /nfs/dbraw/zinc/23/04/24/173230424.db2.gz KAWFPWMKCFUFLQ-GHMZBOCLSA-N 1 1 275.757 0.588 50 0 CCAAMO CC(C)[C@@H](O)C[N@H+]1CCC[C@H]1c1nc(=N)n(C)[nH]1 ZINC000660470192 414344533 /nfs/dbraw/zinc/34/45/33/414344533.db2.gz MXOFWIYNGQSPSI-UWVGGRQHSA-N 1 1 253.350 0.381 50 0 CCAAMO C[NH+]1CCN(C(=O)Cn2cnc(Cl)c2Cl)CC1 ZINC000040162912 174196980 /nfs/dbraw/zinc/19/69/80/174196980.db2.gz VHMCYZNFGIWQMH-UHFFFAOYSA-N 1 1 277.155 0.964 50 0 CCAAMO C[C@@H](O)C[N@H+]1CCN(CC(=O)NCc2ccco2)C[C@@H]1C ZINC000071864221 176280729 /nfs/dbraw/zinc/28/07/29/176280729.db2.gz QLPLLPJEVCLDEY-QWHCGFSZSA-N 1 1 295.383 0.283 50 0 CCAAMO C[C@H](O)C[NH+]1CCN(C(=O)CC[C@H]2CCCO2)CC1 ZINC000071871222 176283751 /nfs/dbraw/zinc/28/37/51/176283751.db2.gz NNKRZHRAHIVTLV-QWHCGFSZSA-N 1 1 270.373 0.471 50 0 CCAAMO Cc1cnn(C2C[NH+](C[C@@H](O)Cn3cccn3)C2)c1 ZINC000071878791 176287320 /nfs/dbraw/zinc/28/73/20/176287320.db2.gz HDQMQDVBMIQNLH-CYBMUJFWSA-N 1 1 261.329 0.306 50 0 CCAAMO Nc1ncccc1C[N@@H+]1CC[C@H]2[NH2+]CCC[C@]2(C(=O)[O-])C1 ZINC000072150231 176326187 /nfs/dbraw/zinc/32/61/87/176326187.db2.gz HVBBWYOUHYBYAV-DOMZBBRYSA-N 1 1 290.367 0.693 50 0 CCAAMO Nc1ncccc1C[N@H+]1CC[C@H]2[NH2+]CCC[C@]2(C(=O)[O-])C1 ZINC000072150231 176326189 /nfs/dbraw/zinc/32/61/89/176326189.db2.gz HVBBWYOUHYBYAV-DOMZBBRYSA-N 1 1 290.367 0.693 50 0 CCAAMO O[C@@]1(CNCCOCc2ccccc2)CC[NH2+]C1 ZINC000077323080 177252785 /nfs/dbraw/zinc/25/27/85/177252785.db2.gz KBMLMIIWVZDZIV-AWEZNQCLSA-N 1 1 250.342 0.517 50 0 CCAAMO CCO[C@H]1C[N@@H+](C)C[C@@H]1NC(=O)c1cnn(C(C)C)c1 ZINC000077486575 177273508 /nfs/dbraw/zinc/27/35/08/177273508.db2.gz QJKWHMDFRBRNDS-STQMWFEESA-N 1 1 280.372 0.913 50 0 CCAAMO OC[C@@H]1COCC[N@H+](CCn2cc(Cl)cn2)C1 ZINC000077487676 177274512 /nfs/dbraw/zinc/27/45/12/177274512.db2.gz WUPYUBCHOQLLPQ-SNVBAGLBSA-N 1 1 259.737 0.477 50 0 CCAAMO OC[C@@H]1COCC[N@@H+](CCn2cc(Cl)cn2)C1 ZINC000077487676 177274514 /nfs/dbraw/zinc/27/45/14/177274514.db2.gz WUPYUBCHOQLLPQ-SNVBAGLBSA-N 1 1 259.737 0.477 50 0 CCAAMO COc1cccc(CCC[N@@H+]2CCNC[C@H]2CO)c1 ZINC000685943430 545871304 /nfs/dbraw/zinc/87/13/04/545871304.db2.gz ONSUFYILCHFVDZ-AWEZNQCLSA-N 1 1 264.369 0.894 50 0 CCAAMO COc1cccc(CCC[N@H+]2CCNC[C@H]2CO)c1 ZINC000685943430 545871306 /nfs/dbraw/zinc/87/13/06/545871306.db2.gz ONSUFYILCHFVDZ-AWEZNQCLSA-N 1 1 264.369 0.894 50 0 CCAAMO Cc1cnc(C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cn1 ZINC000084258237 544490458 /nfs/dbraw/zinc/49/04/58/544490458.db2.gz IRZIEHOEOGIQSP-UONOGXRCSA-N 1 1 290.367 0.456 50 0 CCAAMO CN1CCC[N@@H+](CCC(=O)N2CC(C)(C)[C@@](C)(O)C2)CC1 ZINC000091643268 544527926 /nfs/dbraw/zinc/52/79/26/544527926.db2.gz VWLFLEHPJNRGDA-INIZCTEOSA-N 1 1 297.443 0.633 50 0 CCAAMO C[N@@H+]1CCCN(CCC(=O)N2CC(C)(C)[C@@](C)(O)C2)CC1 ZINC000091643268 544527933 /nfs/dbraw/zinc/52/79/33/544527933.db2.gz VWLFLEHPJNRGDA-INIZCTEOSA-N 1 1 297.443 0.633 50 0 CCAAMO C[N@H+]1CCCN(CCC(=O)N2CC(C)(C)[C@@](C)(O)C2)CC1 ZINC000091643268 544527940 /nfs/dbraw/zinc/52/79/40/544527940.db2.gz VWLFLEHPJNRGDA-INIZCTEOSA-N 1 1 297.443 0.633 50 0 CCAAMO O=C(CCc1ccncn1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000192350106 544799773 /nfs/dbraw/zinc/79/97/73/544799773.db2.gz QIETXWGGPCLWLB-ZDUSSCGKSA-N 1 1 260.341 0.716 50 0 CCAAMO Cc1nonc1OCCNC(=O)CCn1cc[nH+]c1C ZINC000222678777 544823486 /nfs/dbraw/zinc/82/34/86/544823486.db2.gz JTEVFOUIWPJGEN-UHFFFAOYSA-N 1 1 279.300 0.468 50 0 CCAAMO C[C@H]1CCCC[N@H+]1C1CN(C(=O)NCc2nc(N)n[nH]2)C1 ZINC000534672997 420412031 /nfs/dbraw/zinc/41/20/31/420412031.db2.gz BMGLSABSHYGZDS-VIFPVBQESA-N 1 1 293.375 0.155 50 0 CCAAMO CN1CCc2ncnc(N3CC[N@H+]4CCC[C@H]4C3)c2C1 ZINC000247961243 277190080 /nfs/dbraw/zinc/19/00/80/277190080.db2.gz DXEKTKJRWFIRRR-LBPRGKRZSA-N 1 1 273.384 0.749 50 0 CCAAMO COc1ccsc1S(=O)(=O)N1CC[NH2+]C[C@@H]1C ZINC000193360725 278070991 /nfs/dbraw/zinc/07/09/91/278070991.db2.gz JWLVHTAZDTVGCG-QMMMGPOBSA-N 1 1 276.383 0.739 50 0 CCAAMO CCOCC(=O)NCC[C@@H](C)N1CC[NH+](C)CC1 ZINC000534577722 328310753 /nfs/dbraw/zinc/31/07/53/328310753.db2.gz HQZHRGZLVIJNSL-GFCCVEGCSA-N 1 1 257.378 0.165 50 0 CCAAMO CC[C@@H](NC(=O)CCC[NH+]1CCOCC1)c1ncnn1C ZINC000534634174 328332879 /nfs/dbraw/zinc/33/28/79/328332879.db2.gz MYRNYEXYSZBEME-GFCCVEGCSA-N 1 1 295.387 0.495 50 0 CCAAMO C[C@H](C(=O)NC1CCCCCC1)N1CC[NH+](CCO)CC1 ZINC000052636051 326988561 /nfs/dbraw/zinc/98/85/61/326988561.db2.gz XZHUHERUAPLSTK-CQSZACIVSA-N 1 1 297.443 0.824 50 0 CCAAMO CC[N@H+]1CCCC[C@H]1CNc1nc(C)nc(N)n1 ZINC000585092902 545102612 /nfs/dbraw/zinc/10/26/12/545102612.db2.gz TTWFSENPNOASGH-JTQLQIEISA-N 1 1 250.350 0.301 50 0 CCAAMO CCCCNC(=O)[C@H](C)[N@@H+]1CCC(=O)N(C)CC1 ZINC000585094430 545102642 /nfs/dbraw/zinc/10/26/42/545102642.db2.gz AOIICOMSXPRXOR-NSHDSACASA-N 1 1 255.362 0.455 50 0 CCAAMO CN(C[C@H]1CC[N@@H+](C)C1(C)C)c1cncc(C(N)=O)n1 ZINC000670446548 545235593 /nfs/dbraw/zinc/23/55/93/545235593.db2.gz LWRYBCBXHCUDHA-SNVBAGLBSA-N 1 1 277.372 0.742 50 0 CCAAMO CCn1cc(C[N@@H+]2CC[C@]3(C2)CN(C)C(=O)CO3)cn1 ZINC000670446945 545235650 /nfs/dbraw/zinc/23/56/50/545235650.db2.gz JAJPSRLJZCZJOI-CQSZACIVSA-N 1 1 278.356 0.336 50 0 CCAAMO CCn1cc(C[N@H+]2CC[C@]3(C2)CN(C)C(=O)CO3)cn1 ZINC000670446945 545235651 /nfs/dbraw/zinc/23/56/51/545235651.db2.gz JAJPSRLJZCZJOI-CQSZACIVSA-N 1 1 278.356 0.336 50 0 CCAAMO Cn1nccc1C[N@H+]1CCC[C@H](c2nnc(CO)n2C)C1 ZINC000670439023 545235009 /nfs/dbraw/zinc/23/50/09/545235009.db2.gz CGYBAYHMNGIAOS-NSHDSACASA-N 1 1 290.371 0.421 50 0 CCAAMO C[N@H+](CC(=O)NC1CCS(=O)(=O)CC1)C1CCCC1 ZINC000670445155 545235472 /nfs/dbraw/zinc/23/54/72/545235472.db2.gz WILBQANJQZKDCJ-UHFFFAOYSA-N 1 1 288.413 0.554 50 0 CCAAMO C[N@@H+](CC(=O)NC1CCS(=O)(=O)CC1)C1CCCC1 ZINC000670445155 545235473 /nfs/dbraw/zinc/23/54/73/545235473.db2.gz WILBQANJQZKDCJ-UHFFFAOYSA-N 1 1 288.413 0.554 50 0 CCAAMO CCCN1C[C@H](NC(=O)Cn2cc[nH+]c2C)CC1=O ZINC000670457973 545236410 /nfs/dbraw/zinc/23/64/10/545236410.db2.gz ZJZIUFNIVGUFOU-LLVKDONJSA-N 1 1 264.329 0.319 50 0 CCAAMO CC(=O)NCCCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+](C)C2 ZINC000670460963 545236638 /nfs/dbraw/zinc/23/66/38/545236638.db2.gz FZBOSJRPGGLOIA-KBPBESRZSA-N 1 1 281.400 0.845 50 0 CCAAMO c1cnn(CC[NH+]2CCN(c3ccc4nccn4n3)CC2)c1 ZINC000670445265 545235734 /nfs/dbraw/zinc/23/57/34/545235734.db2.gz OKEBAHDXLVRQJH-UHFFFAOYSA-N 1 1 297.366 0.748 50 0 CCAAMO CCc1c[nH+]c(N)nc1N1CCN(c2cnccn2)CC1 ZINC000091390949 536056701 /nfs/dbraw/zinc/05/67/01/536056701.db2.gz ATQBKJIZOFAMLP-UHFFFAOYSA-N 1 1 285.355 0.738 50 0 CCAAMO CC(C)(C[NH2+]CCSc1cn[nH]n1)N1CCOCC1 ZINC000952981546 614110627 /nfs/dbraw/zinc/11/06/27/614110627.db2.gz NCLKRWWYMFRSBV-UHFFFAOYSA-N 1 1 285.417 0.597 50 0 CCAAMO COc1ccc(OCCOCC[NH2+]CCN)cc1 ZINC000022034199 624664624 /nfs/dbraw/zinc/66/46/24/624664624.db2.gz FVBPEYVITVXGNV-UHFFFAOYSA-N 1 1 254.330 0.639 50 0 CCAAMO c1nc2c(c(N3CC[N@@H+]4CCC[C@H]4C3)n1)CCNC2 ZINC000106719601 631248710 /nfs/dbraw/zinc/24/87/10/631248710.db2.gz LUEPWADPWIEWRO-NSHDSACASA-N 1 1 259.357 0.407 50 0 CCAAMO c1nc2c(c(N3CC[N@H+]4CCC[C@H]4C3)n1)CCNC2 ZINC000106719601 631248717 /nfs/dbraw/zinc/24/87/17/631248717.db2.gz LUEPWADPWIEWRO-NSHDSACASA-N 1 1 259.357 0.407 50 0 CCAAMO NC(=O)C[N@H+]1CCC[C@@H](C(=O)NCC[C@@H]2CCCOC2)C1 ZINC000952976402 639085061 /nfs/dbraw/zinc/08/50/61/639085061.db2.gz KHLIROVKJHMKPY-QWHCGFSZSA-N 1 1 297.399 0.117 50 0 CCAAMO CC(C)[N@@H+](C)CCNC(=O)/C=C/c1cnc(N)nc1 ZINC000952973564 649613752 /nfs/dbraw/zinc/61/37/52/649613752.db2.gz OOCQCWKMEKYBNK-SNAWJCMRSA-N 1 1 263.345 0.528 50 0 CCAAMO CCOCC(=O)NCCc1[nH+]cc(C)n1CCOC ZINC000581816857 811763832 /nfs/dbraw/zinc/76/38/32/811763832.db2.gz IPTQUGAZJUHFLW-UHFFFAOYSA-N 1 1 269.345 0.533 50 0 CCAAMO CC(C)Cc1cc(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)n[nH]1 ZINC000195249230 811774541 /nfs/dbraw/zinc/77/45/41/811774541.db2.gz VDFPEOGXJYOCON-PHIMTYICSA-N 1 1 262.357 0.900 50 0 CCAAMO CC(C)(C)OC(=O)N1CC(C[N@H+]2CC[C@H](C(N)=O)C2)C1 ZINC000585079877 812621667 /nfs/dbraw/zinc/62/16/67/812621667.db2.gz XFBVDFWCXQKTJB-NSHDSACASA-N 1 1 283.372 0.661 50 0 CCAAMO Cc1ccn2c(nnc2C(=O)NCC[C@H]2CCC[N@@H+]2C)n1 ZINC000426428848 812798932 /nfs/dbraw/zinc/79/89/32/812798932.db2.gz GBYFIWURQZIRKQ-LLVKDONJSA-N 1 1 288.355 0.647 50 0 CCAAMO Cc1c[nH]c(CN2CCC3(CC2)C[NH2+]CCO3)n1 ZINC000426471348 812827031 /nfs/dbraw/zinc/82/70/31/812827031.db2.gz KZHOTAAANHFNGR-UHFFFAOYSA-N 1 1 250.346 0.673 50 0 CCAAMO CC(C)[N@@H+]1CC[C@@H](CN(C)CCn2cnnc2)C1 ZINC000823690196 821531760 /nfs/dbraw/zinc/53/17/60/821531760.db2.gz NAYZBSKWTZUKHJ-ZDUSSCGKSA-N 1 1 251.378 0.940 50 0 CCAAMO CC(C)[N@H+]1CC[C@@H](CN(C)CCn2cnnc2)C1 ZINC000823690196 821531762 /nfs/dbraw/zinc/53/17/62/821531762.db2.gz NAYZBSKWTZUKHJ-ZDUSSCGKSA-N 1 1 251.378 0.940 50 0 CCAAMO CNC(=O)C[C@H]1CC[N@@H+](CCn2cnnc2C)C1 ZINC000823821097 821540010 /nfs/dbraw/zinc/54/00/10/821540010.db2.gz TWKCCOYMHNFZOI-LLVKDONJSA-N 1 1 251.334 0.045 50 0 CCAAMO CNC(=O)C[C@@H]1CC[N@@H+](CCn2cnnc2C)C1 ZINC000823821098 821540259 /nfs/dbraw/zinc/54/02/59/821540259.db2.gz TWKCCOYMHNFZOI-NSHDSACASA-N 1 1 251.334 0.045 50 0 CCAAMO C[C@@H]1C[N@H+](CCC(=O)N(C)Cc2nncn2C)C[C@H](C)O1 ZINC000825012134 821643793 /nfs/dbraw/zinc/64/37/93/821643793.db2.gz SOSPYCFZJJIXRM-TXEJJXNPSA-N 1 1 295.387 0.273 50 0 CCAAMO Cc1[nH+]cn(CCNS(=O)(=O)c2cccnc2)c1C ZINC000825284765 821650727 /nfs/dbraw/zinc/65/07/27/821650727.db2.gz JAXFUELFTLZTEB-UHFFFAOYSA-N 1 1 280.353 0.873 50 0 CCAAMO NC(=O)c1cccnc1NCCC[N@H+]1CCC[C@H](O)C1 ZINC000828627418 821790597 /nfs/dbraw/zinc/79/05/97/821790597.db2.gz SYUGREWBRCAWCT-NSHDSACASA-N 1 1 278.356 0.439 50 0 CCAAMO C[N@H+]1CCCC[C@H]1CCC(=O)NCCS(C)(=O)=O ZINC000065454478 822338992 /nfs/dbraw/zinc/33/89/92/822338992.db2.gz FNRYQLMMQIIWIE-NSHDSACASA-N 1 1 276.402 0.412 50 0 CCAAMO CC(C)(C)OC(=O)N1CC(C[N@H+]2CC[C@@H](C(N)=O)C2)C1 ZINC000585079876 839578217 /nfs/dbraw/zinc/57/82/17/839578217.db2.gz XFBVDFWCXQKTJB-LLVKDONJSA-N 1 1 283.372 0.661 50 0 CCAAMO C[N@@H+](CCCO)C[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC000585090659 839596059 /nfs/dbraw/zinc/59/60/59/839596059.db2.gz LCELWRZGVHUOPZ-AWEZNQCLSA-N 1 1 288.388 0.673 50 0 CCAAMO CN(C)C(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2ccoc2)C1 ZINC000952869742 841573089 /nfs/dbraw/zinc/57/30/89/841573089.db2.gz NWRDRHLODXEAFN-LBPRGKRZSA-N 1 1 293.367 0.810 50 0 CCAAMO C[C@@H](CN1CCOCC1)[N@@H+](C)Cc1cccnc1N ZINC000952882737 841587664 /nfs/dbraw/zinc/58/76/64/841587664.db2.gz KJWXTSGLCAIMDH-LBPRGKRZSA-N 1 1 264.373 0.816 50 0 CCAAMO CNC(=O)[C@@H]([NH2+]Cc1ccn(C)c(=O)c1)c1ccccc1 ZINC000095955456 185042068 /nfs/dbraw/zinc/04/20/68/185042068.db2.gz MHMXYYDOYAHRHW-HNNXBMFYSA-N 1 1 285.347 0.962 50 0 CCAAMO C[NH2+]CCCNC(=O)c1ccccc1-c1nnc[nH]1 ZINC000096148286 185106230 /nfs/dbraw/zinc/10/62/30/185106230.db2.gz BAOVZGSBUFQLAL-UHFFFAOYSA-N 1 1 259.313 0.811 50 0 CCAAMO CC(C)[NH+]1CCC(C(=O)N[C@@H](C)c2nn[nH]n2)CC1 ZINC000095388127 349605844 /nfs/dbraw/zinc/60/58/44/349605844.db2.gz ZKXKRPVDCSCRGE-VIFPVBQESA-N 1 1 266.349 0.497 50 0 CCAAMO [NH3+][C@H]1CN(C(=O)c2ccc3[nH]nnc3c2)C[C@@H]1C1CC1 ZINC000095390636 349606984 /nfs/dbraw/zinc/60/69/84/349606984.db2.gz KRRWDQGGUUELEK-MNOVXSKESA-N 1 1 271.324 0.767 50 0 CCAAMO CCOC[C@@H](O)C[N@H+]1CC[C@H](N(C)Cc2noc(C)n2)C1 ZINC000095402646 349608263 /nfs/dbraw/zinc/60/82/63/349608263.db2.gz KUPNMBZJRZGVQV-STQMWFEESA-N 1 1 298.387 0.282 50 0 CCAAMO O=C(c1ccc[nH]1)N1CC[N@H+](C2CCOCC2)C[C@@H](O)C1 ZINC000097076434 349626034 /nfs/dbraw/zinc/62/60/34/349626034.db2.gz JMBFQXXPPNGWOL-CYBMUJFWSA-N 1 1 293.367 0.312 50 0 CCAAMO Cc1cccc(NC[C@](C)(O)CN2CCOCC2)[nH+]1 ZINC000097163326 349631114 /nfs/dbraw/zinc/63/11/14/349631114.db2.gz XFWFVJSKSRXALO-AWEZNQCLSA-N 1 1 265.357 0.885 50 0 CCAAMO Cc1nc2n(c1C)CC[N@H+](CCC(=O)N1CCOCC1)C2 ZINC000097201715 349634088 /nfs/dbraw/zinc/63/40/88/349634088.db2.gz VYVFGPVSYWWZDK-UHFFFAOYSA-N 1 1 292.383 0.564 50 0 CCAAMO Cc1nc2n(c1C)CC[N@@H+](CCC(=O)N1CCOCC1)C2 ZINC000097201715 349634090 /nfs/dbraw/zinc/63/40/90/349634090.db2.gz VYVFGPVSYWWZDK-UHFFFAOYSA-N 1 1 292.383 0.564 50 0 CCAAMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)C[C@H]2CCOC2)C1 ZINC000107059083 349736054 /nfs/dbraw/zinc/73/60/54/349736054.db2.gz HZVFQAKSKXOIBO-AGIUHOORSA-N 1 1 290.429 0.671 50 0 CCAAMO O[C@@H](Cn1cccn1)C[N@H+]1CCCC[C@@H]1Cn1cccn1 ZINC000106786998 349732462 /nfs/dbraw/zinc/73/24/62/349732462.db2.gz MDMPEJCURGNABH-HUUCEWRRSA-N 1 1 289.383 0.995 50 0 CCAAMO Cc1cc[nH+]c(N2CCC[C@@H](NS(C)(=O)=O)C2)c1 ZINC000131352934 136389126 /nfs/dbraw/zinc/38/91/26/136389126.db2.gz HELCCUQOPOILAY-LLVKDONJSA-N 1 1 269.370 0.908 50 0 CCAAMO CN(C)CCC[NH2+]CCCNC(=O)c1ccco1 ZINC000004476156 347995309 /nfs/dbraw/zinc/99/53/09/347995309.db2.gz YRKBVEKORAYETC-UHFFFAOYSA-N 1 1 253.346 0.941 50 0 CCAAMO COc1ccc(CN2CC[N@@H+](C)[C@@H](CCO)C2)cc1O ZINC000019637305 348066076 /nfs/dbraw/zinc/06/60/76/348066076.db2.gz XHPQTUPUOZMRAB-ZDUSSCGKSA-N 1 1 280.368 0.899 50 0 CCAAMO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)c2c[nH]c(=O)[nH]c2=O)C1 ZINC000253537035 352537316 /nfs/dbraw/zinc/53/73/16/352537316.db2.gz UZTKUSANVYDBIL-SECBINFHSA-N 1 1 294.355 0.738 50 0 CCAAMO O=C(Cn1nnc2ccccc21)N1CC[N@H+]2CCC[C@H]2C1 ZINC000028233098 348105639 /nfs/dbraw/zinc/10/56/39/348105639.db2.gz UKMMOTKHULYAOF-LBPRGKRZSA-N 1 1 285.351 0.738 50 0 CCAAMO C[N@H+]1CC[C@H](NC(=O)CC(N)=O)[C@H]1c1ccccc1 ZINC000270618355 290201922 /nfs/dbraw/zinc/20/19/22/290201922.db2.gz GSKKMWGKERMKIR-SMDDNHRTSA-N 1 1 261.325 0.423 50 0 CCAAMO C[C@@H](CNC(=O)c1ccc(=O)[nH]n1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000029879831 348116209 /nfs/dbraw/zinc/11/62/09/348116209.db2.gz YRXCJLHLQVRPCK-HBNTYKKESA-N 1 1 294.355 0.410 50 0 CCAAMO NC(=O)C1CC[NH+](CN2C(=O)CC3(CCCC3)C2=O)CC1 ZINC000032717141 348137269 /nfs/dbraw/zinc/13/72/69/348137269.db2.gz HRBXKMJIVUGBON-UHFFFAOYSA-N 1 1 293.367 0.461 50 0 CCAAMO O=S(=O)(c1ccc2c(c1)CCC2)N1CC[NH2+]CC1 ZINC000034802284 348151987 /nfs/dbraw/zinc/15/19/87/348151987.db2.gz XPBFJJXSHATUKG-UHFFFAOYSA-N 1 1 266.366 0.769 50 0 CCAAMO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C(=O)OCC)C1 ZINC000055421872 348577326 /nfs/dbraw/zinc/57/73/26/348577326.db2.gz IXFKDHTYCDIYLF-QWRGUYRKSA-N 1 1 299.371 0.496 50 0 CCAAMO CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](C(=O)OCC)C1 ZINC000055421872 348577330 /nfs/dbraw/zinc/57/73/30/348577330.db2.gz IXFKDHTYCDIYLF-QWRGUYRKSA-N 1 1 299.371 0.496 50 0 CCAAMO Cc1ccc(C[N@@H+](CCCO)C[C@@H](O)CO)s1 ZINC000055182487 348571879 /nfs/dbraw/zinc/57/18/79/348571879.db2.gz JMPLNHUEAAIOIR-LLVKDONJSA-N 1 1 259.371 0.594 50 0 CCAAMO CC(C)[C@@H](C)NC(=O)C1CC[NH+](CC(N)=O)CC1 ZINC000058429698 348627508 /nfs/dbraw/zinc/62/75/08/348627508.db2.gz VNTXFEPOTLACBC-SNVBAGLBSA-N 1 1 255.362 0.344 50 0 CCAAMO CCC/C=C/C[N@@H+]1CCN2C(=O)CN(C)C(=O)[C@H]2C1 ZINC000065393752 348712256 /nfs/dbraw/zinc/71/22/56/348712256.db2.gz IFCUZUKZCLBXCS-BTDICHCPSA-N 1 1 265.357 0.328 50 0 CCAAMO CCC/C=C/C[N@H+]1CCN2C(=O)CN(C)C(=O)[C@H]2C1 ZINC000065393752 348712258 /nfs/dbraw/zinc/71/22/58/348712258.db2.gz IFCUZUKZCLBXCS-BTDICHCPSA-N 1 1 265.357 0.328 50 0 CCAAMO CNC(=O)C[NH+]1CCC(NC(=O)Nc2nccs2)CC1 ZINC000065407780 348714364 /nfs/dbraw/zinc/71/43/64/348714364.db2.gz SNCTXGKPAIZVMK-UHFFFAOYSA-N 1 1 297.384 0.475 50 0 CCAAMO NC(=O)CC[NH+]1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000065612127 348723949 /nfs/dbraw/zinc/72/39/49/348723949.db2.gz PSPVJJIDPIWVNJ-UHFFFAOYSA-N 1 1 297.305 0.598 50 0 CCAAMO C[NH+]1CCN(Cc2noc(CCn3cccc3)n2)CC1 ZINC000067773031 348784747 /nfs/dbraw/zinc/78/47/47/348784747.db2.gz DTUSWOSWBRSRHT-UHFFFAOYSA-N 1 1 275.356 0.861 50 0 CCAAMO Cc1n[nH]c(C)c1CC(=O)NCCC[NH+]1CCOCC1 ZINC000066776346 348755262 /nfs/dbraw/zinc/75/52/62/348755262.db2.gz BDPVXBWXRFBFSV-UHFFFAOYSA-N 1 1 280.372 0.408 50 0 CCAAMO C[C@H](C(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1C)N1CCOCC1 ZINC000069528828 348850174 /nfs/dbraw/zinc/85/01/74/348850174.db2.gz PDTVFOFNSOUGCV-ILXRZTDVSA-N 1 1 295.427 0.792 50 0 CCAAMO CC(C)Cc1noc(C[NH2+]CCCNS(C)(=O)=O)n1 ZINC000069601871 348854349 /nfs/dbraw/zinc/85/43/49/348854349.db2.gz PQISTCDSGRXLEP-UHFFFAOYSA-N 1 1 290.389 0.297 50 0 CCAAMO CCOCC[NH+]1CCN([C@@H](C)C(=O)NC(C)(C)C)CC1 ZINC000069696374 348857370 /nfs/dbraw/zinc/85/73/70/348857370.db2.gz BJINDAUPWSWVAR-ZDUSSCGKSA-N 1 1 285.432 0.944 50 0 CCAAMO COCC[NH+]1CCN([C@@H](C)C(=O)NCC(F)(F)F)CC1 ZINC000069840366 348862667 /nfs/dbraw/zinc/86/26/67/348862667.db2.gz IJFPUJSDGADKOT-JTQLQIEISA-N 1 1 297.321 0.317 50 0 CCAAMO CC(C)(O)C[NH+]1CCN(C(=O)COCC(F)(F)F)CC1 ZINC000069951372 348868140 /nfs/dbraw/zinc/86/81/40/348868140.db2.gz QGQVQHKOXVPELI-UHFFFAOYSA-N 1 1 298.305 0.480 50 0 CCAAMO CC[C@H](O)C[NH+]1CCN(C(=O)COC2CCCC2)CC1 ZINC000070011559 348868730 /nfs/dbraw/zinc/86/87/30/348868730.db2.gz IYZUVLQGIFIELC-ZDUSSCGKSA-N 1 1 284.400 0.861 50 0 CCAAMO Cc1cc(C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)no1 ZINC000072269047 348918160 /nfs/dbraw/zinc/91/81/60/348918160.db2.gz LUFYEBHJXBSILK-QWHCGFSZSA-N 1 1 279.340 0.654 50 0 CCAAMO C[C@@H]1C[C@H](N(C)CC(=O)N2CCOCC2)CC[N@H+]1C ZINC000076040383 349063968 /nfs/dbraw/zinc/06/39/68/349063968.db2.gz UYUKSNYHGLYJHU-CHWSQXEVSA-N 1 1 269.389 0.260 50 0 CCAAMO CCn1nc2c(cc1=O)C[N@H+](CCn1cccn1)CC2 ZINC000076064476 349067204 /nfs/dbraw/zinc/06/72/04/349067204.db2.gz PWBNUKJUAZNOKH-UHFFFAOYSA-N 1 1 273.340 0.518 50 0 CCAAMO Cc1nccc(N2CCN(c3[nH+]ccn3C)CC2)n1 ZINC000078293495 349132449 /nfs/dbraw/zinc/13/24/49/349132449.db2.gz GEHNZHKKRQRRRR-UHFFFAOYSA-N 1 1 258.329 0.845 50 0 CCAAMO COc1ccc(S(=O)(=O)N[C@H]2C[N@@H+](C)C[C@@H]2C)cc1 ZINC000078899012 349158975 /nfs/dbraw/zinc/15/89/75/349158975.db2.gz HIYKZRVWISFJLU-GWCFXTLKSA-N 1 1 284.381 0.924 50 0 CCAAMO CC[N@@H+](C)[C@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000080112178 349202003 /nfs/dbraw/zinc/20/20/03/349202003.db2.gz KFRSCEAXJKJEHJ-SECBINFHSA-N 1 1 285.369 0.613 50 0 CCAAMO [NH3+][C@H]1CCCCN(C(=O)c2ccc3[nH]nnc3c2)C1 ZINC000082108485 349291070 /nfs/dbraw/zinc/29/10/70/349291070.db2.gz GOMMADNGDDXCEB-JTQLQIEISA-N 1 1 259.313 0.911 50 0 CCAAMO C[N@H+]1CC[C@H]2CN(C(=O)CCn3nnc4ccccc43)C[C@H]21 ZINC000082134415 349291347 /nfs/dbraw/zinc/29/13/47/349291347.db2.gz KHVXVGMLELOLFK-SWLSCSKDSA-N 1 1 299.378 0.984 50 0 CCAAMO C[C@H]1CN(S(=O)(=O)c2cc(F)ccc2F)CC[NH2+]1 ZINC000088059585 349355877 /nfs/dbraw/zinc/35/58/77/349355877.db2.gz 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295.427 0.792 50 0 CCAAMO CC[NH+]1CCN(C(=O)[C@@H]2Cn3cccc3C(=O)N2C)CC1 ZINC000257186374 352550392 /nfs/dbraw/zinc/55/03/92/352550392.db2.gz YYXHPOOCYXDWOR-ZDUSSCGKSA-N 1 1 290.367 0.106 50 0 CCAAMO CCOC[C@H](O)C[NH+]1CCN(C(=O)[C@H]2C[C@H]2C)CC1 ZINC000252474516 352514686 /nfs/dbraw/zinc/51/46/86/352514686.db2.gz GYFMILMYWKYQQB-UPJWGTAASA-N 1 1 270.373 0.184 50 0 CCAAMO COC[C@@H]1C[N@@H+](Cc2cccnc2)C[C@H]1C(=O)N(C)C ZINC000257187894 352550990 /nfs/dbraw/zinc/55/09/90/352550990.db2.gz CTIMOGKSHGSIGZ-UONOGXRCSA-N 1 1 277.368 0.864 50 0 CCAAMO COC(=O)[C@@](C)(O)C[N@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000252549466 352519144 /nfs/dbraw/zinc/51/91/44/352519144.db2.gz RGLVOMJWKATBCK-DOMZBBRYSA-N 1 1 298.383 0.149 50 0 CCAAMO COc1ccccc1C[N@H+]1C[C@@H](CO)[C@H](C(=O)N(C)C)C1 ZINC000257187368 352551119 /nfs/dbraw/zinc/55/11/19/352551119.db2.gz AVKGQPOMBJVLGU-UONOGXRCSA-N 1 1 292.379 0.824 50 0 CCAAMO Cc1cc(=O)cc(C(=O)NC[C@H]2CCC[N@@H+](CCO)C2)[nH]1 ZINC000299797005 354053142 /nfs/dbraw/zinc/05/31/42/354053142.db2.gz RQAIWSFNCLJISR-GFCCVEGCSA-N 1 1 293.367 0.530 50 0 CCAAMO CC[N@@H+](Cc1nc(C)no1)C[C@H]1CC(=O)N(CCOC)C1 ZINC000299801555 354054715 /nfs/dbraw/zinc/05/47/15/354054715.db2.gz YMNYJZUOLZHQHW-GFCCVEGCSA-N 1 1 296.371 0.695 50 0 CCAAMO CC[N@H+](Cc1nc(C)no1)C[C@H]1CC(=O)N(CCOC)C1 ZINC000299801555 354054718 /nfs/dbraw/zinc/05/47/18/354054718.db2.gz YMNYJZUOLZHQHW-GFCCVEGCSA-N 1 1 296.371 0.695 50 0 CCAAMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC000329903602 354271303 /nfs/dbraw/zinc/27/13/03/354271303.db2.gz IKLWSRNUZJUDFU-NSHDSACASA-N 1 1 263.345 0.609 50 0 CCAAMO CCC[N@@H+](CCO[C@H]1CCCCO1)[C@@H]1CC(=O)N(C)C1=O ZINC000338333670 355324211 /nfs/dbraw/zinc/32/42/11/355324211.db2.gz WGGTTWAUASKWGR-OCCSQVGLSA-N 1 1 298.383 0.999 50 0 CCAAMO NC(=O)C[C@H]([NH3+])C(=O)N1CCCc2sccc2C1 ZINC000097229245 283293257 /nfs/dbraw/zinc/29/32/57/283293257.db2.gz QEXCGHMFUQIUIJ-VIFPVBQESA-N 1 1 267.354 0.226 50 0 CCAAMO CCc1cc(N2CCC(S(N)(=O)=O)CC2)nc(C)[nH+]1 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C[N@@H+]1CCN(C(=O)CCc2ccncc2)C[C@H]1CCO ZINC000584898516 359238987 /nfs/dbraw/zinc/23/89/87/359238987.db2.gz YGFCCMXYPOTJHL-CQSZACIVSA-N 1 1 277.368 0.539 50 0 CCAAMO C[N@H+]1CCN(C(=O)CCc2ccncc2)C[C@H]1CCO ZINC000584898516 359238991 /nfs/dbraw/zinc/23/89/91/359238991.db2.gz YGFCCMXYPOTJHL-CQSZACIVSA-N 1 1 277.368 0.539 50 0 CCAAMO O=C(NCC[N@@H+]1CCC[C@@H](CO)C1)C1CCCC1 ZINC000584899963 359240478 /nfs/dbraw/zinc/24/04/78/359240478.db2.gz FNMHNFGKRRPFMB-GFCCVEGCSA-N 1 1 254.374 0.997 50 0 CCAAMO CO[C@H]1C[N@H+](C(C)C)C[C@@H]1NC(=O)N(C)Cc1ccon1 ZINC000584899708 359240634 /nfs/dbraw/zinc/24/06/34/359240634.db2.gz MRHSVOBHGBLFDP-STQMWFEESA-N 1 1 296.371 0.924 50 0 CCAAMO CNC(=O)[C@@H]1CCC[C@@H]1Nc1cc[nH+]cc1C(=O)OC ZINC000585142470 359252800 /nfs/dbraw/zinc/25/28/00/359252800.db2.gz XBUUZIACDMAVDT-KOLCDFICSA-N 1 1 277.324 0.617 50 0 CCAAMO NC(=O)NC(=O)CN1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000022806975 388797277 /nfs/dbraw/zinc/79/72/77/388797277.db2.gz LYMHNTJMEUDXQR-UHFFFAOYSA-N 1 1 290.367 0.389 50 0 CCAAMO C[N@@H+](CCCOc1ccc(F)cc1)CC(=O)NC(N)=O ZINC000030267416 388828716 /nfs/dbraw/zinc/82/87/16/388828716.db2.gz QEJUKVMHRSKDKH-UHFFFAOYSA-N 1 1 283.303 0.721 50 0 CCAAMO C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2F)CC[NH2+]1 ZINC000187157078 388870146 /nfs/dbraw/zinc/87/01/46/388870146.db2.gz VQOAXDQEBGTJJS-MRVPVSSYSA-N 1 1 276.308 0.947 50 0 CCAAMO O=C(C[NH+]1CCC(NC(=O)C2CCC2)CC1)NC1CC1 ZINC000047342007 388879666 /nfs/dbraw/zinc/87/96/66/388879666.db2.gz VBUYEUDPCFKXLG-UHFFFAOYSA-N 1 1 279.384 0.646 50 0 CCAAMO O[C@@H](Cn1cccn1)C[NH+]1CCN(c2nccs2)CC1 ZINC000051533881 388926789 /nfs/dbraw/zinc/92/67/89/388926789.db2.gz NUBCJIBOYKNSOJ-GFCCVEGCSA-N 1 1 293.396 0.523 50 0 CCAAMO CNc1cc[nH+]c(N2CCC[C@@]3(CN(C)C(=O)O3)C2)n1 ZINC000072458020 388964572 /nfs/dbraw/zinc/96/45/72/388964572.db2.gz FQXSWEVSBCLJOF-CYBMUJFWSA-N 1 1 277.328 0.939 50 0 CCAAMO OCCOc1ccccc1C[N@H+]1CCC[C@](O)(CO)C1 ZINC000072468604 388964920 /nfs/dbraw/zinc/96/49/20/388964920.db2.gz MTIVAAOPBIBZSX-OAHLLOKOSA-N 1 1 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/nfs/dbraw/zinc/80/15/58/280801558.db2.gz LDMOGALQIAQBKK-SNVBAGLBSA-N 1 1 272.374 0.446 50 0 CCAAMO Cc1nc(N2C[C@H]([NH3+])[C@@H](C3CC3)C2)c(Cl)c(=O)[nH]1 ZINC000095362023 281946696 /nfs/dbraw/zinc/94/66/96/281946696.db2.gz POWGHPLLGFVSNZ-BDAKNGLRSA-N 1 1 268.748 0.905 50 0 CCAAMO CCOCC(=O)NCC[C@H](C)N1CC[NH+](C)CC1 ZINC000534577723 328310782 /nfs/dbraw/zinc/31/07/82/328310782.db2.gz HQZHRGZLVIJNSL-LBPRGKRZSA-N 1 1 257.378 0.165 50 0 CCAAMO Cc1nc[nH]c1C(=O)NCC[C@H](C)N1CC[NH+](C)CC1 ZINC000534589178 328317313 /nfs/dbraw/zinc/31/73/13/328317313.db2.gz XBYMMPIQGBIHIP-NSHDSACASA-N 1 1 279.388 0.474 50 0 CCAAMO Nc1cc(-c2ccc(C(=O)N[C@H]3CCOC3)cc2)[nH+]c(N)n1 ZINC000534646633 328330272 /nfs/dbraw/zinc/33/02/72/328330272.db2.gz XRGOYWBDAHDSQZ-NSHDSACASA-N 1 1 299.334 0.487 50 0 CCAAMO CN(Cc1n[nH]c2c1CCCC2)C(=O)C[C@H]1C[NH2+]CCO1 ZINC000534649994 328336656 /nfs/dbraw/zinc/33/66/56/328336656.db2.gz BPGJFZIYDUXRCS-NSHDSACASA-N 1 1 292.383 0.625 50 0 CCAAMO O=S(=O)(N[C@H]1COC[C@@H]1[NH+]1CCCC1)c1cccnc1 ZINC000534655973 328339804 /nfs/dbraw/zinc/33/98/04/328339804.db2.gz IOWOIAMKXAMUOI-STQMWFEESA-N 1 1 297.380 0.223 50 0 CCAAMO CC(C)CN1C(=O)CC[C@H]2C[N@@H+](C(CO)CO)CC[C@H]21 ZINC000072439519 327110747 /nfs/dbraw/zinc/11/07/47/327110747.db2.gz OPERRYYTSABGOA-GXTWGEPZSA-N 1 1 284.400 0.309 50 0 CCAAMO CN1CC(=O)N2CC[N@H+](CC3=CCCCC3)C[C@@H]2C1=O ZINC000670434998 545234770 /nfs/dbraw/zinc/23/47/70/545234770.db2.gz OZMDQXYCVVDOEK-CYBMUJFWSA-N 1 1 277.368 0.472 50 0 CCAAMO CN1CC(=O)N2CC[N@@H+](CC3=CCCCC3)C[C@@H]2C1=O ZINC000670434998 545234771 /nfs/dbraw/zinc/23/47/71/545234771.db2.gz OZMDQXYCVVDOEK-CYBMUJFWSA-N 1 1 277.368 0.472 50 0 CCAAMO C[N@@H+](CCCn1cccn1)[C@@H]1CCNC(=O)CC1 ZINC000670453691 545236168 /nfs/dbraw/zinc/23/61/68/545236168.db2.gz PJNRNYNLYBRNML-LBPRGKRZSA-N 1 1 250.346 0.874 50 0 CCAAMO Cc1[nH+]ccn1CC(=O)NC1(C(N)=O)CCCCCC1 ZINC000670460071 545236550 /nfs/dbraw/zinc/23/65/50/545236550.db2.gz ZUDNUYSCPZBTBO-UHFFFAOYSA-N 1 1 278.356 0.886 50 0 CCAAMO C[NH+](C)CCN1CCN(C[C@H]2CCCCO2)CCC1=O ZINC000670460430 545236818 /nfs/dbraw/zinc/23/68/18/545236818.db2.gz ZWBTVYYAJQIYKY-CQSZACIVSA-N 1 1 283.416 0.651 50 0 CCAAMO Cc1[nH+]cn(CCNC(=O)CCCn2cnnn2)c1C ZINC000670465576 545236832 /nfs/dbraw/zinc/23/68/32/545236832.db2.gz UTCHUPGVIQEILC-UHFFFAOYSA-N 1 1 277.332 0.083 50 0 CCAAMO c1n[nH]cc1O[C@@H]1COC[C@@H]1[NH2+]Cc1cc2n(n1)CCC2 ZINC000685940988 545871075 /nfs/dbraw/zinc/87/10/75/545871075.db2.gz NCYPPJMUXDUUMK-UONOGXRCSA-N 1 1 289.339 0.488 50 0 CCAAMO CC1(CNC(=O)[C@@H]2CCC[N@@H+](CC(N)=O)C2)CCCC1 ZINC000952967696 614900045 /nfs/dbraw/zinc/90/00/45/614900045.db2.gz KUIGLUXSJXVZEU-GFCCVEGCSA-N 1 1 281.400 0.880 50 0 CCAAMO O[C@H]1C[N@H+](Cc2ccoc2)C[C@@H]1N1CCOCC1 ZINC000022919684 622699250 /nfs/dbraw/zinc/69/92/50/622699250.db2.gz WTLSQODRRLKESS-STQMWFEESA-N 1 1 252.314 0.157 50 0 CCAAMO O[C@H]1C[N@@H+](Cc2ccoc2)C[C@@H]1N1CCOCC1 ZINC000022919684 622699258 /nfs/dbraw/zinc/69/92/58/622699258.db2.gz 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CCAAMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H](CCO)c2cccs2)C1 ZINC000095445793 349612080 /nfs/dbraw/zinc/61/20/80/349612080.db2.gz ZQSIGXWWOXUKFE-QWRGUYRKSA-N 1 1 284.381 0.618 50 0 CCAAMO C[N@H+]1CCO[C@H](C(=O)N[C@@H](CCO)c2cccs2)C1 ZINC000095445793 349612082 /nfs/dbraw/zinc/61/20/82/349612082.db2.gz ZQSIGXWWOXUKFE-QWRGUYRKSA-N 1 1 284.381 0.618 50 0 CCAAMO Cc1nnnn1-c1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000095479270 349614649 /nfs/dbraw/zinc/61/46/49/349614649.db2.gz ADCRWZPKFZPKKQ-UHFFFAOYSA-N 1 1 286.339 0.358 50 0 CCAAMO CN(CC[N@@H+](C)C1CCCC1)C(=O)Cn1cccnc1=O ZINC000097553219 349643223 /nfs/dbraw/zinc/64/32/23/349643223.db2.gz PLTCPXZZXJSGTD-UHFFFAOYSA-N 1 1 292.383 0.576 50 0 CCAAMO O=C(C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1)NC[C@H]1CCOC1 ZINC000106901915 349734564 /nfs/dbraw/zinc/73/45/64/349734564.db2.gz IQRFJLFYQMZIGO-CHWSQXEVSA-N 1 1 292.383 0.742 50 0 CCAAMO O=C(C[N@H+]1CCC[C@@H](c2cc[nH]n2)C1)NC[C@H]1CCOC1 ZINC000106901915 349734567 /nfs/dbraw/zinc/73/45/67/349734567.db2.gz 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/nfs/dbraw/zinc/13/54/24/348135424.db2.gz NMWKZAMVPFUPEA-LBPRGKRZSA-N 1 1 279.340 0.579 50 0 CCAAMO COc1ccc(S(=O)(=O)N2CC[NH2+]CC2)cc1 ZINC000034781241 348151412 /nfs/dbraw/zinc/15/14/12/348151412.db2.gz RYCVCXVHXZLECQ-UHFFFAOYSA-N 1 1 256.327 0.289 50 0 CCAAMO Cn1cc(/C=C/C(=O)NCC(C)(C)[NH+]2CCOCC2)cn1 ZINC000052549931 348510791 /nfs/dbraw/zinc/51/07/91/348510791.db2.gz YCXXPEBJZGTJTN-SNAWJCMRSA-N 1 1 292.383 0.660 50 0 CCAAMO O=C(Cn1cnnn1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000052918007 348517215 /nfs/dbraw/zinc/51/72/15/348517215.db2.gz CREJGRZKJKWWTO-CYBMUJFWSA-N 1 1 286.339 0.064 50 0 CCAAMO Cc1cc(C(=O)NCCC[NH+]2CCN(C)CC2)no1 ZINC000061524475 348654327 /nfs/dbraw/zinc/65/43/27/348654327.db2.gz JTFXHMMMLCDJGD-UHFFFAOYSA-N 1 1 266.345 0.350 50 0 CCAAMO CN(Cc1ccccc1)C[C@H](O)C[N@H+]1CCC[C@H](O)C1 ZINC000058159295 348621928 /nfs/dbraw/zinc/62/19/28/348621928.db2.gz IRFGNEMDWWWVJJ-HOTGVXAUSA-N 1 1 278.396 0.936 50 0 CCAAMO C[N@@H+](Cc1ccccc1)C[C@H](O)CN1CCC[C@H](O)C1 ZINC000058159295 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WMJIYYJMIDIKHL-JTQLQIEISA-N 1 1 295.387 1.136 50 0 CCAAMO COC[C@H](C)NC(=O)C1CC[NH+](Cc2cc[nH]n2)CC1 ZINC000670444613 545235672 /nfs/dbraw/zinc/23/56/72/545235672.db2.gz MIQKFHREHRZFCM-NSHDSACASA-N 1 1 280.372 0.773 50 0 CCAAMO Cc1nncn1CC[N@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000670440262 545235214 /nfs/dbraw/zinc/23/52/14/545235214.db2.gz MRJYABAKUMMQSG-AWEZNQCLSA-N 1 1 291.399 0.921 50 0 CCAAMO CNC(=O)C[C@@H]1CC[N@@H+](Cc2cnc(N)s2)C1 ZINC000670466073 545237135 /nfs/dbraw/zinc/23/71/35/545237135.db2.gz PFSZMVFNARMEQX-QMMMGPOBSA-N 1 1 254.359 0.683 50 0 CCAAMO CNC(=O)[C@H]([NH2+]Cc1cn(C(C)(C)C)nn1)C(C)C ZINC000359669180 536382631 /nfs/dbraw/zinc/38/26/31/536382631.db2.gz AUDFPVWNJIGSFW-LLVKDONJSA-N 1 1 267.377 0.893 50 0 CCAAMO C[N@H+](Cc1ccc(O)c(F)c1)C[C@@H](O)CN1CCOCC1 ZINC000874435472 616167082 /nfs/dbraw/zinc/16/70/82/616167082.db2.gz UVMNFJMFSDYUEQ-CYBMUJFWSA-N 1 1 298.358 0.656 50 0 CCAAMO COCC1(NC(=O)[C@@H]2CCC[N@@H+](CC(N)=O)C2)CCCC1 ZINC000952987971 616787196 /nfs/dbraw/zinc/78/71/96/616787196.db2.gz PEABYCKCIYJSHT-GFCCVEGCSA-N 1 1 297.399 0.259 50 0 CCAAMO Cc1ccc([C@H](C)[NH2+]CC(=O)N2CCC(C(N)=O)CC2)o1 ZINC000193637320 649551336 /nfs/dbraw/zinc/55/13/36/649551336.db2.gz CFALJSYNILYGFI-NSHDSACASA-N 1 1 293.367 0.963 50 0 CCAAMO CCOC(=O)N1CC[C@H](N2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])C1 ZINC000426533762 812842882 /nfs/dbraw/zinc/84/28/82/812842882.db2.gz IGYOKPSGEPRDDS-RNJOBUHISA-N 1 1 267.373 0.886 50 0 CCAAMO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCc2nn[nH]n2)C1 ZINC000426619969 812927186 /nfs/dbraw/zinc/92/71/86/812927186.db2.gz DQYGPVAMAMSSOY-JTQLQIEISA-N 1 1 281.364 0.119 50 0 CCAAMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)NCc2nn[nH]n2)C1 ZINC000426619969 812927188 /nfs/dbraw/zinc/92/71/88/812927188.db2.gz DQYGPVAMAMSSOY-JTQLQIEISA-N 1 1 281.364 0.119 50 0 CCAAMO CN1CCN(C)[C@H](CNC(=O)CCC2CC[NH+](C)CC2)C1 ZINC000823761125 821534631 /nfs/dbraw/zinc/53/46/31/821534631.db2.gz KDUMLKHHUOIPCT-OAHLLOKOSA-N 1 1 296.459 0.470 50 0 CCAAMO COCC[N@H+]1CCC[C@@H](CNC(=O)c2cncc(O)c2)C1 ZINC000824413121 821630672 /nfs/dbraw/zinc/63/06/72/821630672.db2.gz CYJJNJVELBQIDN-LBPRGKRZSA-N 1 1 293.367 0.875 50 0 CCAAMO O=C(NCCC[N@@H+]1CCCC[C@H]1CO)c1ncc[nH]1 ZINC000828710756 821809924 /nfs/dbraw/zinc/80/99/24/821809924.db2.gz AXIXVFDCYDAMHC-NSHDSACASA-N 1 1 266.345 0.376 50 0 CCAAMO Cc1[nH+]ccn1-c1ccc(N[C@@H]2C=C[C@H](CO)C2)nn1 ZINC000585093018 839594827 /nfs/dbraw/zinc/59/48/27/839594827.db2.gz YIMIKYZVJYJZJR-NWDGAFQWSA-N 1 1 271.324 0.742 50 0 CCAAMO C[N@H+]1CCC[C@H]1CCNS(=O)(=O)N1CCCCC1 ZINC000220341039 839628747 /nfs/dbraw/zinc/62/87/47/839628747.db2.gz BOHGWKAKGUQQPG-LBPRGKRZSA-N 1 1 275.418 0.791 50 0 CCAAMO C[C@H](CN1CCOCC1)[N@@H+](C)Cc1cccnc1N ZINC000952882736 841588043 /nfs/dbraw/zinc/58/80/43/841588043.db2.gz KJWXTSGLCAIMDH-GFCCVEGCSA-N 1 1 264.373 0.816 50 0 CCAAMO O=C1NCCCc2nc([C@H]3CCC[N@H+](CCO)C3)[nH]c21 ZINC000095527462 185004198 /nfs/dbraw/zinc/00/41/98/185004198.db2.gz LSKVIZCGAXUNBC-JTQLQIEISA-N 1 1 278.356 0.257 50 0 CCAAMO C[C@@H]1CN(C(=O)C[N@@H+](C)CCCn2ccnc2)C[C@H](C)O1 ZINC000095977332 185052006 /nfs/dbraw/zinc/05/20/06/185052006.db2.gz HJQUWLSHHRYQOP-OKILXGFUSA-N 1 1 294.399 0.841 50 0 CCAAMO C[N@@H+]1CCO[C@H](C(=O)N[C@H](CO)Cc2ccccc2)C1 ZINC000095981009 185052959 /nfs/dbraw/zinc/05/29/59/185052959.db2.gz CGMZKRCFKOEXEF-KBPBESRZSA-N 1 1 278.352 0.037 50 0 CCAAMO C[N@H+]1CCO[C@H](C(=O)N[C@H](CO)Cc2ccccc2)C1 ZINC000095981009 185052961 /nfs/dbraw/zinc/05/29/61/185052961.db2.gz CGMZKRCFKOEXEF-KBPBESRZSA-N 1 1 278.352 0.037 50 0 CCAAMO C[NH+]1CCN(C(=O)Nc2cnn([C@H]3CCOC3)c2)CC1 ZINC000096123239 185103121 /nfs/dbraw/zinc/10/31/21/185103121.db2.gz OPILZXYFPZDDEZ-LBPRGKRZSA-N 1 1 279.344 0.624 50 0 CCAAMO CCc1cnc(N)nc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000095390691 349607075 /nfs/dbraw/zinc/60/70/75/349607075.db2.gz YDQFAFNNMKXZJS-ZDUSSCGKSA-N 1 1 291.399 0.922 50 0 CCAAMO CCOCC[N@H+]1CCC[C@@H](S(=O)(=O)NC)C1 ZINC000095400893 349608234 /nfs/dbraw/zinc/60/82/34/349608234.db2.gz LTZQNXTZQPHFIP-SNVBAGLBSA-N 1 1 250.364 0.037 50 0 CCAAMO CNC(=O)[C@H](C)C[N@@H+](C)[C@@H](C)C(=O)NCC(F)(F)F ZINC000095430736 349610018 /nfs/dbraw/zinc/61/00/18/349610018.db2.gz BBEAQNFQBMDESV-SFYZADRCSA-N 1 1 283.294 0.367 50 0 CCAAMO Cc1nc(C)n(CCNC(=O)[C@H]2CCCCC[N@@H+]2C)n1 ZINC000095376218 349605097 /nfs/dbraw/zinc/60/50/97/349605097.db2.gz PQHSQOUUCBPZCZ-CYBMUJFWSA-N 1 1 279.388 0.886 50 0 CCAAMO [NH3+]Cc1nc(C(=O)N[C@H]2CCc3n[nH]cc3C2)cs1 ZINC000097019792 185152690 /nfs/dbraw/zinc/15/26/90/185152690.db2.gz XFLZPDCBBFSVDF-QMMMGPOBSA-N 1 1 277.353 0.612 50 0 CCAAMO C[NH+](C)CC(=O)N[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000097095558 349627963 /nfs/dbraw/zinc/62/79/63/349627963.db2.gz BXCVXSNVIDTZQA-LLVKDONJSA-N 1 1 253.277 0.030 50 0 CCAAMO COC(=O)CCNC(=O)C[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000097325285 349637741 /nfs/dbraw/zinc/63/77/41/349637741.db2.gz HHQADFPTOXOHSY-LLVKDONJSA-N 1 1 284.356 0.167 50 0 CCAAMO CC(C)Nc1ccnc(N2CC[N@@H+](C)[C@@H](CCO)C2)n1 ZINC000106992034 349735791 /nfs/dbraw/zinc/73/57/91/349735791.db2.gz GCHRAAMIHLMJSS-LBPRGKRZSA-N 1 1 279.388 0.800 50 0 CCAAMO C[C@H](O)C[N@H+]1CCN(c2ncnc3c2cnn3C)C[C@@H]1C ZINC000106839988 349733885 /nfs/dbraw/zinc/73/38/85/349733885.db2.gz LOTAZVQZFVQYSP-QWRGUYRKSA-N 1 1 290.371 0.255 50 0 CCAAMO C[C@@H](O)C[NH+]1CCN(C(=O)NCc2cccs2)CC1 ZINC000085466889 179072790 /nfs/dbraw/zinc/07/27/90/179072790.db2.gz HTRRRIJMENJGOG-LLVKDONJSA-N 1 1 283.397 0.956 50 0 CCAAMO C[N@@H+](CCO)C[C@@H]1COCCN1C(=O)c1cccc(F)c1 ZINC000085469870 179075198 /nfs/dbraw/zinc/07/51/98/179075198.db2.gz RZHXZHDONSNBKY-CQSZACIVSA-N 1 1 296.342 0.591 50 0 CCAAMO Cc1cc(C(=O)N2CCOC[C@H]2C[N@@H+](C)CCO)c(C)o1 ZINC000085470091 179075658 /nfs/dbraw/zinc/07/56/58/179075658.db2.gz YAURDHOBHCWECE-CYBMUJFWSA-N 1 1 296.367 0.662 50 0 CCAAMO [NH3+]C[C@H](NC(=O)C[C@H]1COCCN1)C1CCCCC1 ZINC000262242163 137033022 /nfs/dbraw/zinc/03/30/22/137033022.db2.gz RPZXNJWHKWIYRK-STQMWFEESA-N 1 1 269.389 0.389 50 0 CCAAMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000270958910 137069397 /nfs/dbraw/zinc/06/93/97/137069397.db2.gz NFSHZUJRJNEVAL-KGLIPLIRSA-N 1 1 262.353 0.800 50 0 CCAAMO CC[N@H+](CCO)[C@@H]1CC(=O)N(c2ccccc2C)C1=O ZINC000002359727 347965975 /nfs/dbraw/zinc/96/59/75/347965975.db2.gz YRLXVWOMVOBPBQ-CYBMUJFWSA-N 1 1 276.336 0.941 50 0 CCAAMO CC[N@@H+](CCO)[C@@H]1CC(=O)N(c2ccccc2C)C1=O ZINC000002359727 347965979 /nfs/dbraw/zinc/96/59/79/347965979.db2.gz YRLXVWOMVOBPBQ-CYBMUJFWSA-N 1 1 276.336 0.941 50 0 CCAAMO CCN1CCC([NH2+]CCCN2CCOCC2)CC1 ZINC000002498885 347968173 /nfs/dbraw/zinc/96/81/73/347968173.db2.gz YOLQCJPJCXULOC-UHFFFAOYSA-N 1 1 255.406 0.783 50 0 CCAAMO CC[C@@H](C)NC(=O)C(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000004497940 347996275 /nfs/dbraw/zinc/99/62/75/347996275.db2.gz GCKKTODIRTYWCM-MNOVXSKESA-N 1 1 255.362 0.502 50 0 CCAAMO O=C(NCCC[NH+]1CCOCC1)c1ccc2c(c1)OCO2 ZINC000019722045 348068466 /nfs/dbraw/zinc/06/84/66/348068466.db2.gz IKKFNCUTUSUAOD-UHFFFAOYSA-N 1 1 292.335 0.867 50 0 CCAAMO CC[C@H](C)[NH+]1CCC(N2CCN(CCO)CC2)CC1 ZINC000019889075 348072892 /nfs/dbraw/zinc/07/28/92/348072892.db2.gz OEBZZXOLZLNWDK-AWEZNQCLSA-N 1 1 269.433 0.859 50 0 CCAAMO C[C@H](C(N)=O)[N@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000015304855 348040353 /nfs/dbraw/zinc/04/03/53/348040353.db2.gz HDIMNVXCXIAVOI-SECBINFHSA-N 1 1 250.298 0.763 50 0 CCAAMO C[C@H](C(N)=O)[N@@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000015304855 348040356 /nfs/dbraw/zinc/04/03/56/348040356.db2.gz HDIMNVXCXIAVOI-SECBINFHSA-N 1 1 250.298 0.763 50 0 CCAAMO CNC(=O)NC(=O)C[N@H+](C)CCOc1ccccc1C ZINC000016423136 348047495 /nfs/dbraw/zinc/04/74/95/348047495.db2.gz XQJAEGVHQVNJSK-UHFFFAOYSA-N 1 1 279.340 0.761 50 0 CCAAMO CNC(=O)NC(=O)C[N@@H+](C)CCOc1ccccc1C ZINC000016423136 348047497 /nfs/dbraw/zinc/04/74/97/348047497.db2.gz XQJAEGVHQVNJSK-UHFFFAOYSA-N 1 1 279.340 0.761 50 0 CCAAMO O=C(Cn1nnc2ccccc21)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000028233094 348105865 /nfs/dbraw/zinc/10/58/65/348105865.db2.gz UKMMOTKHULYAOF-GFCCVEGCSA-N 1 1 285.351 0.738 50 0 CCAAMO O=C(CCCOc1ccccc1)N1CC[NH+](CCO)CC1 ZINC000031946010 348128372 /nfs/dbraw/zinc/12/83/72/348128372.db2.gz UJCQOMGUTIXBFW-UHFFFAOYSA-N 1 1 292.379 0.982 50 0 CCAAMO COCCNC(=O)NC(=O)C[N@@H+](C)[C@@H](C)C(C)(C)C ZINC000027134100 348097066 /nfs/dbraw/zinc/09/70/66/348097066.db2.gz ZPWBSGSOKJNMKA-JTQLQIEISA-N 1 1 273.377 0.825 50 0 CCAAMO Cc1ccc[nH+]c1N1CCN(C(=O)c2nc[nH]n2)CC1 ZINC000032590237 348135313 /nfs/dbraw/zinc/13/53/13/348135313.db2.gz DJZFOMUSIPTSNT-UHFFFAOYSA-N 1 1 272.312 0.471 50 0 CCAAMO CC(C)C(=O)NCC[NH2+][C@@H](C(N)=O)c1ccccc1 ZINC000032879026 348140324 /nfs/dbraw/zinc/14/03/24/348140324.db2.gz GOGWUYDRSNJJSJ-GFCCVEGCSA-N 1 1 263.341 0.575 50 0 CCAAMO Cc1nn(C(F)F)cc1S(=O)(=O)N1CC[NH2+]CC1 ZINC000034770356 348151211 /nfs/dbraw/zinc/15/12/11/348151211.db2.gz WBHJWZSVDKNIFD-UHFFFAOYSA-N 1 1 280.300 0.181 50 0 CCAAMO Cc1c(S(=O)(=O)N2CC[NH2+]CC2)cnn1C(F)F ZINC000034770358 348151543 /nfs/dbraw/zinc/15/15/43/348151543.db2.gz XMIDIBZRKWWMRY-UHFFFAOYSA-N 1 1 280.300 0.181 50 0 CCAAMO COCC[N@@H+](C)CCCNC(=O)c1cc(C2CC2)n[nH]1 ZINC000042774296 348294115 /nfs/dbraw/zinc/29/41/15/348294115.db2.gz HYRPNPBWSZUXFC-UHFFFAOYSA-N 1 1 280.372 0.985 50 0 CCAAMO Cc1ncc(CN2CC[N@H+](C)[C@H](CCO)C2)cn1 ZINC000043058609 348304513 /nfs/dbraw/zinc/30/45/13/348304513.db2.gz SGQWUALYSQYEII-CYBMUJFWSA-N 1 1 250.346 0.283 50 0 CCAAMO CCn1cc(C[N@@H+](CC(C)C)C[C@@H](O)CO)cn1 ZINC000055182768 348572094 /nfs/dbraw/zinc/57/20/94/348572094.db2.gz ZYBNHYGMVPSGNT-CYBMUJFWSA-N 1 1 255.362 0.714 50 0 CCAAMO OCC[NH+]1CCN(C[C@H](O)c2ccccc2Cl)CC1 ZINC000057594266 348612264 /nfs/dbraw/zinc/61/22/64/348612264.db2.gz XDPQQZJSXBTFDO-AWEZNQCLSA-N 1 1 284.787 0.983 50 0 CCAAMO CCOCC[NH+]1CCN(CC(=O)N2CCCC2)CC1 ZINC000057620219 348612503 /nfs/dbraw/zinc/61/25/03/348612503.db2.gz IMEVESWXNUIGAZ-UHFFFAOYSA-N 1 1 269.389 0.263 50 0 CCAAMO CC(C)[C@H](CNC(=O)Nc1cn[nH]c1)[NH+]1CCOCC1 ZINC000065423972 348715384 /nfs/dbraw/zinc/71/53/84/348715384.db2.gz OSTWVBNVEPUWKQ-LBPRGKRZSA-N 1 1 281.360 0.888 50 0 CCAAMO CC[N@H+]1CC[C@H](CNC(=O)N[C@@H](C)c2nncn2C)C1 ZINC000065415722 348715687 /nfs/dbraw/zinc/71/56/87/348715687.db2.gz CBHSSNQDAAMVBS-WDEREUQCSA-N 1 1 280.376 0.517 50 0 CCAAMO COCC[N@@H+](C)CCCNC(=O)c1ccc(C)[nH]c1=O ZINC000065519728 348720552 /nfs/dbraw/zinc/72/05/52/348720552.db2.gz AULICBDYVVVUEL-UHFFFAOYSA-N 1 1 281.356 0.381 50 0 CCAAMO Cc1ccc(OCC[N@@H+]2C[C@H](O)C[C@@H]2C(N)=O)cc1 ZINC000065565565 348722435 /nfs/dbraw/zinc/72/24/35/348722435.db2.gz KKJYFNPBWHOFPK-DGCLKSJQSA-N 1 1 264.325 0.294 50 0 CCAAMO Cc1ccc(OCC[N@H+]2C[C@H](O)C[C@@H]2C(N)=O)cc1 ZINC000065565565 348722440 /nfs/dbraw/zinc/72/24/40/348722440.db2.gz KKJYFNPBWHOFPK-DGCLKSJQSA-N 1 1 264.325 0.294 50 0 CCAAMO CC[N@H+]1CCO[C@H](CCNC(=O)c2cccnc2NC)C1 ZINC000067654891 348780176 /nfs/dbraw/zinc/78/01/76/348780176.db2.gz RTSPYQJTXHPLSI-GFCCVEGCSA-N 1 1 292.383 0.964 50 0 CCAAMO c1nnc(CCC[NH+]2CCOCC2)n1-c1cccnc1 ZINC000067850752 348787318 /nfs/dbraw/zinc/78/73/18/348787318.db2.gz VPJIOKSIRSIEGN-UHFFFAOYSA-N 1 1 273.340 0.927 50 0 CCAAMO CCC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1CC(N)=O ZINC000069601113 348854109 /nfs/dbraw/zinc/85/41/09/348854109.db2.gz ZYVHKTLLVRFTBF-WDEREUQCSA-N 1 1 253.346 0.337 50 0 CCAAMO CCCCc1nc(CNC[C@@H]2C[N@H+](C)CCO2)no1 ZINC000069626427 348855242 /nfs/dbraw/zinc/85/52/42/348855242.db2.gz PTGKLCHLKKRVKI-LLVKDONJSA-N 1 1 268.361 0.832 50 0 CCAAMO CCCCc1nc(CNC[C@@H]2C[N@@H+](C)CCO2)no1 ZINC000069626427 348855245 /nfs/dbraw/zinc/85/52/45/348855245.db2.gz PTGKLCHLKKRVKI-LLVKDONJSA-N 1 1 268.361 0.832 50 0 CCAAMO CCOCC[NH+]1CCN(CC(=O)NCC(F)(F)F)CC1 ZINC000069627335 348855803 /nfs/dbraw/zinc/85/58/03/348855803.db2.gz HRNMRIMPCUMTOX-UHFFFAOYSA-N 1 1 297.321 0.319 50 0 CCAAMO CCOC[C@@H](O)C[NH+]1CCN(C(=O)CC(C)(C)C)CC1 ZINC000069739955 348859799 /nfs/dbraw/zinc/85/97/99/348859799.db2.gz LCZADNMBHFRZEZ-ZDUSSCGKSA-N 1 1 286.416 0.964 50 0 CCAAMO CC[C@H]1CN(CCN2CCCC2=O)CC[N@H+]1CCOC ZINC000069840642 348862955 /nfs/dbraw/zinc/86/29/55/348862955.db2.gz RWAASFFVVORXTC-AWEZNQCLSA-N 1 1 283.416 0.651 50 0 CCAAMO CS(=O)(=O)CCC[N@H+]1CCC[C@H]1Cn1cccn1 ZINC000069947253 348867153 /nfs/dbraw/zinc/86/71/53/348867153.db2.gz XNUBAXRTXXEXKI-LBPRGKRZSA-N 1 1 271.386 0.782 50 0 CCAAMO CC[C@H](O)C[NH+]1CCN(C(=O)[C@@H](C)SC)CC1 ZINC000070006445 348868958 /nfs/dbraw/zinc/86/89/58/348868958.db2.gz MSWQLMSKLCKFAP-MNOVXSKESA-N 1 1 260.403 0.653 50 0 CCAAMO COCC[N@@H+]1CCN([C@@H](C)C(=O)N2CCCC2)C[C@@H]1C ZINC000069976778 348869165 /nfs/dbraw/zinc/86/91/65/348869165.db2.gz GYTGFTDAFIYKHN-KBPBESRZSA-N 1 1 283.416 0.650 50 0 CCAAMO COCC[N@H+]1CCN([C@@H](C)C(=O)N2CCCC2)C[C@@H]1C ZINC000069976778 348869168 /nfs/dbraw/zinc/86/91/68/348869168.db2.gz GYTGFTDAFIYKHN-KBPBESRZSA-N 1 1 283.416 0.650 50 0 CCAAMO Cc1cnn(C[C@H]2CCC[N@H+]2CC(=O)N2CCC2)c1 ZINC000070040114 348870067 /nfs/dbraw/zinc/87/00/67/348870067.db2.gz PIRBZIZUQJCJLA-CYBMUJFWSA-N 1 1 262.357 0.888 50 0 CCAAMO Cc1cnn(C[C@@H]2CCC[N@H+]2CC(=O)N2CCNC2=O)c1 ZINC000070040487 348870810 /nfs/dbraw/zinc/87/08/10/348870810.db2.gz SGZNYVJYMMTTNS-LBPRGKRZSA-N 1 1 291.355 0.208 50 0 CCAAMO O[C@H](Cn1cccn1)C[N@H+]1CCCC[C@@H]1Cn1cncn1 ZINC000071878693 348913052 /nfs/dbraw/zinc/91/30/52/348913052.db2.gz GQVDGXQFSSEUNY-KGLIPLIRSA-N 1 1 290.371 0.390 50 0 CCAAMO CCC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1CC(=O)NC ZINC000072268866 348917583 /nfs/dbraw/zinc/91/75/83/348917583.db2.gz VKOGSILDSSDYEH-NEPJUHHUSA-N 1 1 267.373 0.598 50 0 CCAAMO O=C(c1ccoc1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000072269141 348917849 /nfs/dbraw/zinc/91/78/49/348917849.db2.gz JWODAVPFBABCBL-STQMWFEESA-N 1 1 264.325 0.951 50 0 CCAAMO Cc1cc(C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)no1 ZINC000072269045 348918047 /nfs/dbraw/zinc/91/80/47/348918047.db2.gz LUFYEBHJXBSILK-STQMWFEESA-N 1 1 279.340 0.654 50 0 CCAAMO O=C(c1ccoc1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000072269143 348918217 /nfs/dbraw/zinc/91/82/17/348918217.db2.gz JWODAVPFBABCBL-QWHCGFSZSA-N 1 1 264.325 0.951 50 0 CCAAMO Cc1[nH]ncc1C[NH2+][C@@H]1CCN(S(C)(=O)=O)C[C@@H]1C ZINC000072300522 348920434 /nfs/dbraw/zinc/92/04/34/348920434.db2.gz ORXGKGABLKSXFA-JOYOIKCWSA-N 1 1 286.401 0.478 50 0 CCAAMO C[N@H+]1CCC[C@H]1C(=O)N1CCC(Nc2cccnn2)CC1 ZINC000075603328 349040802 /nfs/dbraw/zinc/04/08/02/349040802.db2.gz WZOSQVCAINZPMN-ZDUSSCGKSA-N 1 1 289.383 0.974 50 0 CCAAMO C[C@@H](O)C[NH+]1CCN(C(=O)c2ccc(N(C)C)nc2)CC1 ZINC000075131227 349024297 /nfs/dbraw/zinc/02/42/97/349024297.db2.gz ZZHVHZNPDLMIBF-GFCCVEGCSA-N 1 1 292.383 0.286 50 0 CCAAMO C[C@H]1C[C@@H](N(C)CC(=O)N2CCOCC2)CC[N@H+]1C ZINC000076040389 349064095 /nfs/dbraw/zinc/06/40/95/349064095.db2.gz UYUKSNYHGLYJHU-STQMWFEESA-N 1 1 269.389 0.260 50 0 CCAAMO CC(C)(C)NC(=O)CC[N@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000078876615 349157083 /nfs/dbraw/zinc/15/70/83/349157083.db2.gz JBBSKRLKXKTRKB-CQSZACIVSA-N 1 1 297.443 0.945 50 0 CCAAMO COCCNC(=O)CN1CC[NH+](Cc2cccs2)CC1 ZINC000089414612 349385206 /nfs/dbraw/zinc/38/52/06/349385206.db2.gz SDZSIUBAGYHRTM-UHFFFAOYSA-N 1 1 297.424 0.628 50 0 CCAAMO COCCC[N@@H+]1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC000089937241 349415103 /nfs/dbraw/zinc/41/51/03/349415103.db2.gz XDXCPHUFXXUFTA-HOCLYGCPSA-N 1 1 297.443 0.897 50 0 CCAAMO CCOC[C@@H](O)C[N@H+]1CCC[C@H](c2cc(C(N)=O)[nH]n2)C1 ZINC000089986670 349418643 /nfs/dbraw/zinc/41/86/43/349418643.db2.gz DNHXUNUXKXUWMP-QWRGUYRKSA-N 1 1 296.371 0.085 50 0 CCAAMO CCNC(=O)[C@H]1CCC[N@@H+](CCC2OCCO2)C1 ZINC000124014694 350087509 /nfs/dbraw/zinc/08/75/09/350087509.db2.gz WVWVSTCSTLYGIR-NSHDSACASA-N 1 1 256.346 0.598 50 0 CCAAMO NC(=O)[C@H]1CCC[N@@H+](CCNc2cc(C3CC3)ncn2)C1 ZINC000091445018 180156906 /nfs/dbraw/zinc/15/69/06/180156906.db2.gz LNVBVVHKHOBGIZ-LBPRGKRZSA-N 1 1 289.383 0.963 50 0 CCAAMO COCC[C@]1(O)CC[N@@H+](CCN2CCCC2=O)C[C@H]1C ZINC000091635923 180211293 /nfs/dbraw/zinc/21/12/93/180211293.db2.gz AHZBIKNPIBRDJK-UKRRQHHQSA-N 1 1 284.400 0.718 50 0 CCAAMO C[N@H+]1CC[C@H](Oc2nccnc2N2CCOCC2)C1 ZINC000169792550 350840450 /nfs/dbraw/zinc/84/04/50/350840450.db2.gz OKTKQCYZHKXRNF-NSHDSACASA-N 1 1 264.329 0.396 50 0 CCAAMO CCCn1ccnc1C[N@@H+]1CC[C@@H](C(=O)NC)C1 ZINC000215509002 351935869 /nfs/dbraw/zinc/93/58/69/351935869.db2.gz IDOOREAKBAJJQU-LLVKDONJSA-N 1 1 250.346 0.861 50 0 CCAAMO CCCn1ccnc1C[N@H+]1CC[C@@H](C(=O)NC)C1 ZINC000215509002 351935871 /nfs/dbraw/zinc/93/58/71/351935871.db2.gz IDOOREAKBAJJQU-LLVKDONJSA-N 1 1 250.346 0.861 50 0 CCAAMO CCc1nc(N)sc1C(=O)NC[C@H]1COCC[N@@H+](C)C1 ZINC000215840306 351938799 /nfs/dbraw/zinc/93/87/99/351938799.db2.gz MEUDFZSFLWTGGW-SECBINFHSA-N 1 1 298.412 0.596 50 0 CCAAMO O=C(C[N@H+]1CCC[C@@H](O)C1)NCCCc1ccccn1 ZINC000216459215 351942092 /nfs/dbraw/zinc/94/20/92/351942092.db2.gz GBMFFJPWDVQTFZ-CQSZACIVSA-N 1 1 277.368 0.587 50 0 CCAAMO O=C(C[N@@H+]1CCC[C@@H](O)C1)NCCCc1ccccn1 ZINC000216459215 351942098 /nfs/dbraw/zinc/94/20/98/351942098.db2.gz GBMFFJPWDVQTFZ-CQSZACIVSA-N 1 1 277.368 0.587 50 0 CCAAMO CCOCC[C@H](O)C[NH+]1CCN(C[C@H](O)CC)CC1 ZINC000225530028 352008490 /nfs/dbraw/zinc/00/84/90/352008490.db2.gz QGYFNUCDPODDMJ-KGLIPLIRSA-N 1 1 274.405 0.162 50 0 CCAAMO NC(=O)CN1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000225725300 352012028 /nfs/dbraw/zinc/01/20/28/352012028.db2.gz AVWPQNKYIFTDEV-NSHDSACASA-N 1 1 262.357 0.884 50 0 CCAAMO C[NH+]1CCN(C(=O)N2CC[C@H](Oc3cnccn3)C2)CC1 ZINC000225796796 352014689 /nfs/dbraw/zinc/01/46/89/352014689.db2.gz ZSTSSRPCEZPWFR-LBPRGKRZSA-N 1 1 291.355 0.297 50 0 CCAAMO Cc1[nH+]ccn1CC(=O)N1CCN(C2CCCC2)C(=O)C1 ZINC000223558112 351987695 /nfs/dbraw/zinc/98/76/95/351987695.db2.gz GNAHJYKDVZGIPY-UHFFFAOYSA-N 1 1 290.367 0.805 50 0 CCAAMO C[C@H](C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)S(C)(=O)=O ZINC000229445086 352091594 /nfs/dbraw/zinc/09/15/94/352091594.db2.gz MKNCEXREFDWOFL-MXWKQRLJSA-N 1 1 274.386 0.163 50 0 CCAAMO CCC1(CC)[C@H](NC(=O)[C@H]2COCC[NH2+]2)C[C@@H]1OC ZINC000236636057 352201743 /nfs/dbraw/zinc/20/17/43/352201743.db2.gz LXBFHAQJBCDGRC-UTUOFQBUSA-N 1 1 270.373 0.685 50 0 CCAAMO CC[N@H+](CCOC)[C@H](C)C(=O)Nc1nncs1 ZINC000244899909 352315676 /nfs/dbraw/zinc/31/56/76/352315676.db2.gz ZSQZOWVKRWPZKW-MRVPVSSYSA-N 1 1 258.347 0.833 50 0 CCAAMO CC[N@@H+](CCOC)[C@H](C)C(=O)Nc1nncs1 ZINC000244899909 352315678 /nfs/dbraw/zinc/31/56/78/352315678.db2.gz ZSQZOWVKRWPZKW-MRVPVSSYSA-N 1 1 258.347 0.833 50 0 CCAAMO CCc1nnc(C[N@H+](CCC(=O)NC)C(C)C)o1 ZINC000244707846 352311639 /nfs/dbraw/zinc/31/16/39/352311639.db2.gz KIRPKFKNTVSITQ-UHFFFAOYSA-N 1 1 254.334 0.979 50 0 CCAAMO CCc1nnc(C[N@@H+](CCC(=O)NC)C(C)C)o1 ZINC000244707846 352311643 /nfs/dbraw/zinc/31/16/43/352311643.db2.gz KIRPKFKNTVSITQ-UHFFFAOYSA-N 1 1 254.334 0.979 50 0 CCAAMO CN1CC[N@@H+](C)[C@H](CC(=O)NCc2ccoc2)C1 ZINC000244853085 352314672 /nfs/dbraw/zinc/31/46/72/352314672.db2.gz VEYGWKWVJXSAQO-GFCCVEGCSA-N 1 1 251.330 0.532 50 0 CCAAMO CN1CC[N@H+](C)C[C@H]1CC(=O)NCc1ccoc1 ZINC000244853085 352314675 /nfs/dbraw/zinc/31/46/75/352314675.db2.gz VEYGWKWVJXSAQO-GFCCVEGCSA-N 1 1 251.330 0.532 50 0 CCAAMO CN1CC[N@@H+](C)C[C@H]1CC(=O)NCc1ccoc1 ZINC000244853085 352314680 /nfs/dbraw/zinc/31/46/80/352314680.db2.gz VEYGWKWVJXSAQO-GFCCVEGCSA-N 1 1 251.330 0.532 50 0 CCAAMO O=S(=O)(C[C@@H]1CCCCO1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000247502963 352418562 /nfs/dbraw/zinc/41/85/62/352418562.db2.gz OCBUOGQLULCQLH-STQMWFEESA-N 1 1 288.413 0.665 50 0 CCAAMO C[N@@H+](CCC(=O)N1CCOCC1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000248034907 352430446 /nfs/dbraw/zinc/43/04/46/352430446.db2.gz UOKXLSAEAXRJHZ-NWANDNLSSA-N 1 1 296.411 0.981 50 0 CCAAMO C[N@H+]1CCCN(Cc2nc([C@H]3CCOC3)no2)CC1 ZINC000248087452 352431602 /nfs/dbraw/zinc/43/16/02/352431602.db2.gz BNWKAVASUULQAJ-NSHDSACASA-N 1 1 266.345 0.711 50 0 CCAAMO C[NH+]1CCN([C@H]2CCN(Cc3ccccn3)C2=O)CC1 ZINC000257179970 352548811 /nfs/dbraw/zinc/54/88/11/352548811.db2.gz DBYGVFPZSPUKBI-AWEZNQCLSA-N 1 1 274.368 0.430 50 0 CCAAMO O=C(N[C@@H]1C[N@@H+](C2CCC2)C[C@H]1CO)c1ccncc1 ZINC000257182577 352549501 /nfs/dbraw/zinc/54/95/01/352549501.db2.gz GRRNEEFVJSMWSO-GXTWGEPZSA-N 1 1 275.352 0.657 50 0 CCAAMO C[C@H](OCC1CC1)C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000252504691 352518175 /nfs/dbraw/zinc/51/81/75/352518175.db2.gz CRFYRCSNVVEHHO-NWANDNLSSA-N 1 1 296.411 0.859 50 0 CCAAMO CC[C@@H]1CN([C@H](C)C(=O)NC(C)C)CC[N@H+]1C[C@@H](C)O ZINC000252506811 352518365 /nfs/dbraw/zinc/51/83/65/352518365.db2.gz VPLQGDSXPWEKRT-MGPQQGTHSA-N 1 1 285.432 0.677 50 0 CCAAMO CC(C)C[N@H+]1CCN(CCn2cc[nH]c2=O)C[C@H]1CCO ZINC000252508536 352518404 /nfs/dbraw/zinc/51/84/04/352518404.db2.gz XORIHXOTXYRNSU-CQSZACIVSA-N 1 1 296.415 0.201 50 0 CCAAMO CN(CC(N)=O)C[C@H]1C[N@@H+]([C@H]2C=CCCC2)CCO1 ZINC000253398448 352532886 /nfs/dbraw/zinc/53/28/86/352532886.db2.gz QUGLVFIXOJZQIS-STQMWFEESA-N 1 1 267.373 0.213 50 0 CCAAMO CN(CC(N)=O)C[C@H]1C[N@H+]([C@H]2C=CCCC2)CCO1 ZINC000253398448 352532890 /nfs/dbraw/zinc/53/28/90/352532890.db2.gz QUGLVFIXOJZQIS-STQMWFEESA-N 1 1 267.373 0.213 50 0 CCAAMO CN1CC[N@@H+](C)[C@H](CC(=O)NCCCc2ccco2)C1 ZINC000299756972 354047249 /nfs/dbraw/zinc/04/72/49/354047249.db2.gz FNXKOBQBXGYZSP-CYBMUJFWSA-N 1 1 279.384 0.964 50 0 CCAAMO CN1CC[N@H+](C)C[C@H]1CC(=O)NCCCc1ccco1 ZINC000299756972 354047251 /nfs/dbraw/zinc/04/72/51/354047251.db2.gz FNXKOBQBXGYZSP-CYBMUJFWSA-N 1 1 279.384 0.964 50 0 CCAAMO CN1CC[N@@H+](C)C[C@H]1CC(=O)NCCCc1ccco1 ZINC000299756972 354047256 /nfs/dbraw/zinc/04/72/56/354047256.db2.gz FNXKOBQBXGYZSP-CYBMUJFWSA-N 1 1 279.384 0.964 50 0 CCAAMO CC(C)[N@H+]1C[C@@H](C)[C@H](NS(=O)(=O)[C@@H]2CCOC2)C1 ZINC000299754156 354047673 /nfs/dbraw/zinc/04/76/73/354047673.db2.gz HOZIVPJBZDRDDL-IJLUTSLNSA-N 1 1 276.402 0.423 50 0 CCAAMO C[N@@H+]1CCN2CCN(C(=O)c3cc(F)ccc3O)C[C@H]2C1 ZINC000299797580 354053861 /nfs/dbraw/zinc/05/38/61/354053861.db2.gz OLWRQQXIJIWVDW-GFCCVEGCSA-N 1 1 293.342 0.603 50 0 CCAAMO C[N@H+]1CCN2CCN(C(=O)c3cc(F)ccc3O)C[C@H]2C1 ZINC000299797580 354053863 /nfs/dbraw/zinc/05/38/63/354053863.db2.gz OLWRQQXIJIWVDW-GFCCVEGCSA-N 1 1 293.342 0.603 50 0 CCAAMO COCC[N@H+]1CCC[C@H](CNC(=O)c2csc(N)n2)C1 ZINC000299801199 354054670 /nfs/dbraw/zinc/05/46/70/354054670.db2.gz WBLCTWRFRLRLIM-SNVBAGLBSA-N 1 1 298.412 0.814 50 0 CCAAMO CNc1ccccc1C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000331351919 354546944 /nfs/dbraw/zinc/54/69/44/354546944.db2.gz OKTYJJSQUQFBJY-GFCCVEGCSA-N 1 1 277.368 0.867 50 0 CCAAMO CNc1ccccc1C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000331351919 354546945 /nfs/dbraw/zinc/54/69/45/354546945.db2.gz OKTYJJSQUQFBJY-GFCCVEGCSA-N 1 1 277.368 0.867 50 0 CCAAMO CNC(=O)Cc1noc(C[N@@H+]2CCC[C@H](C3CC3)C2)n1 ZINC000367981394 357300432 /nfs/dbraw/zinc/30/04/32/357300432.db2.gz ABAXFFBQINYRFN-NSHDSACASA-N 1 1 278.356 0.980 50 0 CCAAMO CNC(=O)Cc1noc(C[N@H+]2CCC[C@H](C3CC3)C2)n1 ZINC000367981394 357300438 /nfs/dbraw/zinc/30/04/38/357300438.db2.gz ABAXFFBQINYRFN-NSHDSACASA-N 1 1 278.356 0.980 50 0 CCAAMO OC[C@@H](O)CNC1CC[NH+](C2CCCCC2)CC1 ZINC000408409099 358078979 /nfs/dbraw/zinc/07/89/79/358078979.db2.gz SZEVUBPTGZLERW-AWEZNQCLSA-N 1 1 256.390 0.726 50 0 CCAAMO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2csnn2)N1 ZINC000048622115 283410808 /nfs/dbraw/zinc/41/08/08/283410808.db2.gz RICCGBDHWWJRNZ-SECBINFHSA-N 1 1 271.309 0.984 50 0 CCAAMO CCO[C@H]1C[N@@H+](C)C[C@@H]1NC(=O)c1n[nH]c(CC)c1C ZINC000584890700 359230393 /nfs/dbraw/zinc/23/03/93/359230393.db2.gz RGAGAOPYBCZSIF-RYUDHWBXSA-N 1 1 280.372 0.729 50 0 CCAAMO O=C(Cc1ccccn1)NCC[N@@H+]1CCC[C@H](CO)C1 ZINC000584896754 359237378 /nfs/dbraw/zinc/23/73/78/359237378.db2.gz PLHHPHKDPLHAIE-ZDUSSCGKSA-N 1 1 277.368 0.445 50 0 CCAAMO CC(C)C1=NO[C@H](C(=O)N2CCC([N@@H+](C)CCO)CC2)C1 ZINC000584899045 359238910 /nfs/dbraw/zinc/23/89/10/359238910.db2.gz ACPVXXHOVKRDBL-AWEZNQCLSA-N 1 1 297.399 0.702 50 0 CCAAMO COCC[N@H+]1CC[C@@H](CN(C)C(=O)c2n[nH]nc2C)C1 ZINC000584902982 359242696 /nfs/dbraw/zinc/24/26/96/359242696.db2.gz CREAHWPKGJETFB-NSHDSACASA-N 1 1 281.360 0.153 50 0 CCAAMO COCC[N@@H+]1CC[C@@H](CN(C)C(=O)c2[nH]nnc2C)C1 ZINC000584902982 359242698 /nfs/dbraw/zinc/24/26/98/359242698.db2.gz CREAHWPKGJETFB-NSHDSACASA-N 1 1 281.360 0.153 50 0 CCAAMO Cc1nc([C@@H](C)NC(=O)CC[NH+]2CCCC2)n[nH]1 ZINC000216307733 189702971 /nfs/dbraw/zinc/70/29/71/189702971.db2.gz FJQAAVDRTLJLNR-SECBINFHSA-N 1 1 251.334 0.776 50 0 CCAAMO COC(=O)[C@H](F)C[N@@H+]1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000252499779 284280442 /nfs/dbraw/zinc/28/04/42/284280442.db2.gz SEDMDNJUQBZWDB-CYZMBNFOSA-N 1 1 298.358 0.973 50 0 CCAAMO COC(=O)[C@H](F)C[N@H+]1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000252499779 284280445 /nfs/dbraw/zinc/28/04/45/284280445.db2.gz SEDMDNJUQBZWDB-CYZMBNFOSA-N 1 1 298.358 0.973 50 0 CCAAMO C[C@H](O)C[NH+]1CCN([C@@H](C)C(=O)N2CCCCCC2)CC1 ZINC000069737163 299482596 /nfs/dbraw/zinc/48/25/96/299482596.db2.gz XRUHKSYWKZIGHX-GJZGRUSLSA-N 1 1 297.443 0.776 50 0 CCAAMO OC[C@@H]1CCC[N@H+]1C[C@@H]1CCCN1C[C@@H](O)C(F)(F)F ZINC000221837663 285273961 /nfs/dbraw/zinc/27/39/61/285273961.db2.gz RHFGWICGQBWPCV-SDDRHHMPSA-N 1 1 296.333 0.831 50 0 CCAAMO O=C([C@@H]1CCC(=O)N1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022023146 388796648 /nfs/dbraw/zinc/79/66/48/388796648.db2.gz UGWACYOHACFGOY-AWEZNQCLSA-N 1 1 287.363 0.609 50 0 CCAAMO CCn1ncc(CN2CC[N@@H+](C)[C@H](CCO)C2)c1C ZINC000022851293 388798910 /nfs/dbraw/zinc/79/89/10/388798910.db2.gz DWKRTDRQBMPCHZ-CQSZACIVSA-N 1 1 266.389 0.710 50 0 CCAAMO CC[N@H+](CC(=O)NC(=O)NC)Cc1ccc2c(c1)OCO2 ZINC000011351457 388771240 /nfs/dbraw/zinc/77/12/40/388771240.db2.gz NOBZNTIXPPBRDT-UHFFFAOYSA-N 1 1 293.323 0.693 50 0 CCAAMO CC[N@@H+](CC(=O)NC(=O)NC)Cc1ccc2c(c1)OCO2 ZINC000011351457 388771246 /nfs/dbraw/zinc/77/12/46/388771246.db2.gz NOBZNTIXPPBRDT-UHFFFAOYSA-N 1 1 293.323 0.693 50 0 CCAAMO CCn1c(CC2CC[NH+](Cc3ncc[nH]3)CC2)n[nH]c1=O ZINC000071754600 388957750 /nfs/dbraw/zinc/95/77/50/388957750.db2.gz ZSWBJIWEOLRGFG-UHFFFAOYSA-N 1 1 290.371 0.769 50 0 CCAAMO C[C@H](O)C[NH+]1CCN([C@@H](C)C(=O)NCC(F)(F)F)CC1 ZINC000071877441 388959251 /nfs/dbraw/zinc/95/92/51/388959251.db2.gz WSXJPYPTBQDLBJ-UWVGGRQHSA-N 1 1 297.321 0.052 50 0 CCAAMO [NH3+]CCCN1C(=O)CC[C@H]2CN(Cc3c[nH]cn3)CC[C@H]21 ZINC000072432138 388963653 /nfs/dbraw/zinc/96/36/53/388963653.db2.gz DOSLGGPMRHYJLL-GXTWGEPZSA-N 1 1 291.399 0.571 50 0 CCAAMO OC1CCN(c2cc[nH+]c(NCCn3ccnn3)n2)CC1 ZINC000065436195 388943545 /nfs/dbraw/zinc/94/35/45/388943545.db2.gz ZHSFMHSKZDNISV-UHFFFAOYSA-N 1 1 289.343 0.141 50 0 CCAAMO C[C@H]1CN(C[C@H](O)C(F)(F)F)CC[N@H+]1CC(C)(C)O ZINC000189879331 388975684 /nfs/dbraw/zinc/97/56/84/388975684.db2.gz YHPUGUGVQDEKGT-UWVGGRQHSA-N 1 1 284.322 0.687 50 0 CCAAMO C[C@@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)CCCCCO ZINC000079100373 388993674 /nfs/dbraw/zinc/99/36/74/388993674.db2.gz SAWXFNBKRDYKMY-QWRGUYRKSA-N 1 1 251.392 0.902 50 0 CCAAMO CN(C[C@@H]1CC[N@@H+](C)C1(C)C)C(=O)Cn1cccnc1=O ZINC000097655528 389067923 /nfs/dbraw/zinc/06/79/23/389067923.db2.gz SWALKCZFDFDLCE-LBPRGKRZSA-N 1 1 292.383 0.432 50 0 CCAAMO CC[C@H]1CN(C(=O)c2c[nH]c(=O)[nH]c2=O)CC[N@H+]1C(C)C ZINC000216254164 389133346 /nfs/dbraw/zinc/13/33/46/389133346.db2.gz BRSMVTUDFXFEDB-JTQLQIEISA-N 1 1 294.355 0.008 50 0 CCAAMO CN1CCN(c2cc(C(=O)N3CC[C@@H]([NH3+])C3)ccn2)CC1 ZINC000237236773 389185194 /nfs/dbraw/zinc/18/51/94/389185194.db2.gz SZODXXYYPRWHLF-CYBMUJFWSA-N 1 1 289.383 0.007 50 0 CCAAMO CC1CCC(N(C)C(=O)C[N@H+]2C[C@@H](O)C[C@@]2(C)CO)CC1 ZINC000583650905 390303581 /nfs/dbraw/zinc/30/35/81/390303581.db2.gz BHGZGHZCPGUCHR-UJJWPFCGSA-N 1 1 298.427 0.841 50 0 CCAAMO COCC(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1 ZINC000042700373 292180721 /nfs/dbraw/zinc/18/07/21/292180721.db2.gz MDWSZOTUCGGAQK-GFCCVEGCSA-N 1 1 258.362 0.496 50 0 CCAAMO CO[C@]1(C)C[C@H](NC(=O)[C@@H]2COCC[NH2+]2)C1(C)C ZINC000237271401 286170521 /nfs/dbraw/zinc/17/05/21/286170521.db2.gz MUJRZYOMZLHQPE-OUJBWJOFSA-N 1 1 256.346 0.295 50 0 CCAAMO C[C@@H](O)C[N@H+]1CCN(CCOCC(F)(F)F)C[C@H]1C ZINC000071864564 287094863 /nfs/dbraw/zinc/09/48/63/287094863.db2.gz HQYSIRDSGKCRFQ-GHMZBOCLSA-N 1 1 284.322 0.952 50 0 CCAAMO CC[C@@H]1CN(CCN2CCCC2=O)CC[N@H+]1C[C@H](C)O ZINC000106906847 287194056 /nfs/dbraw/zinc/19/40/56/287194056.db2.gz XPGQKDSZUIIXTE-UONOGXRCSA-N 1 1 283.416 0.386 50 0 CCAAMO C[N@H+](CC(=O)N1CCNC1=O)Cc1cccc(F)c1 ZINC000007791602 170303229 /nfs/dbraw/zinc/30/32/29/170303229.db2.gz BOWYHVYVVIDUPX-UHFFFAOYSA-N 1 1 265.288 0.809 50 0 CCAAMO C[N@@H+](CC(=O)N1CCNC1=O)Cc1cccc(F)c1 ZINC000007791602 170303230 /nfs/dbraw/zinc/30/32/30/170303230.db2.gz BOWYHVYVVIDUPX-UHFFFAOYSA-N 1 1 265.288 0.809 50 0 CCAAMO CC(C)CCNC(=O)C[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000020948256 171282207 /nfs/dbraw/zinc/28/22/07/171282207.db2.gz WFUILVDECJBLBV-NSHDSACASA-N 1 1 255.362 0.346 50 0 CCAAMO C[NH+]1CCN(C[C@H](O)COCc2ccccc2F)CC1 ZINC000022215486 171375221 /nfs/dbraw/zinc/37/52/21/171375221.db2.gz DCDCICBGUHBQHA-AWEZNQCLSA-N 1 1 282.359 0.951 50 0 CCAAMO Cc1ccc(C[NH2+][C@H]2CS(=O)(=O)C[C@@H]2O)cc1 ZINC000037487519 173230390 /nfs/dbraw/zinc/23/03/90/173230390.db2.gz UILSQYPDTMFHGA-RYUDHWBXSA-N 1 1 255.339 0.243 50 0 CCAAMO Cc1[nH+]ccn1CCNC(=O)C(=O)Nc1cccnc1 ZINC000038719712 174153766 /nfs/dbraw/zinc/15/37/66/174153766.db2.gz WDORSHIETAYNQT-UHFFFAOYSA-N 1 1 273.296 0.341 50 0 CCAAMO COC(=O)CCCNC(=O)C[N@H+]1CCCC[C@H]1C ZINC000040466123 174274875 /nfs/dbraw/zinc/27/48/75/174274875.db2.gz ZUXJNDGLXMBSIV-LLVKDONJSA-N 1 1 256.346 0.930 50 0 CCAAMO COCC[NH+]1CCN(Cc2nnc3n2CCCCC3)CC1 ZINC000040489667 174290663 /nfs/dbraw/zinc/29/06/63/174290663.db2.gz DBBIBVVUMKLTNN-UHFFFAOYSA-N 1 1 293.415 0.769 50 0 CCAAMO C[C@H](C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12)S(C)(=O)=O ZINC000040540980 174322292 /nfs/dbraw/zinc/32/22/92/174322292.db2.gz MKNCEXREFDWOFL-OUAUKWLOSA-N 1 1 274.386 0.163 50 0 CCAAMO Cc1cc(NC2CCN(S(C)(=O)=O)CC2)nc(C)[nH+]1 ZINC000043534130 175063024 /nfs/dbraw/zinc/06/30/24/175063024.db2.gz CDNZSDQYJIXSHL-UHFFFAOYSA-N 1 1 284.385 0.929 50 0 CCAAMO CCO[C@@H](CC)C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000069978059 175866008 /nfs/dbraw/zinc/86/60/08/175866008.db2.gz KWOMKUCPIUGCBQ-NEPJUHHUSA-N 1 1 258.362 0.327 50 0 CCAAMO COCc1nnc(C(=O)N2CCC[C@@]3(CC[N@@H+](C)C3)C2)o1 ZINC000071614964 176234417 /nfs/dbraw/zinc/23/44/17/176234417.db2.gz YPAWJXAPHKXYRF-AWEZNQCLSA-N 1 1 294.355 0.774 50 0 CCAAMO C[C@@H](O)C[N@H+]1CCN(Cc2nccn2C)C[C@@H]1C ZINC000071864549 176281036 /nfs/dbraw/zinc/28/10/36/176281036.db2.gz VVBZQYIWPDMDHL-NWDGAFQWSA-N 1 1 252.362 0.307 50 0 CCAAMO CCOCC[N@H+]1CCN(CCn2cncn2)C[C@@H]1CC ZINC000071864827 176281348 /nfs/dbraw/zinc/28/13/48/176281348.db2.gz VWIICYCITHGUAD-AWEZNQCLSA-N 1 1 281.404 0.711 50 0 CCAAMO O=C(C[N@@H+]1CCC[C@@H]1CCCO)NCc1ccccn1 ZINC000071904882 176295604 /nfs/dbraw/zinc/29/56/04/176295604.db2.gz UGQNMZJWLGXOAY-CQSZACIVSA-N 1 1 277.368 0.935 50 0 CCAAMO C[N@H+](CCNS(C)(=O)=O)CCc1ccccn1 ZINC000071904667 176295739 /nfs/dbraw/zinc/29/57/39/176295739.db2.gz OCHBIFNQUYYAJZ-UHFFFAOYSA-N 1 1 257.359 0.105 50 0 CCAAMO C[N@@H+](CCNS(C)(=O)=O)CCc1ccccn1 ZINC000071904667 176295740 /nfs/dbraw/zinc/29/57/40/176295740.db2.gz OCHBIFNQUYYAJZ-UHFFFAOYSA-N 1 1 257.359 0.105 50 0 CCAAMO OC[C@]1(O)CCC[N@@H+](Cc2cccc3nonc32)CC1 ZINC000072167122 176331757 /nfs/dbraw/zinc/33/17/57/176331757.db2.gz CBKCNDQYIWCZGS-AWEZNQCLSA-N 1 1 277.324 0.932 50 0 CCAAMO O[C@]1(CNCCOCc2ccccc2)CC[NH2+]C1 ZINC000077323081 177252943 /nfs/dbraw/zinc/25/29/43/177252943.db2.gz KBMLMIIWVZDZIV-CQSZACIVSA-N 1 1 250.342 0.517 50 0 CCAAMO CCc1nc(S(=O)(=O)N(C)C[C@H]2CC[N@@H+](C)C2)c[nH]1 ZINC000070422797 544450281 /nfs/dbraw/zinc/45/02/81/544450281.db2.gz LPSSDURFSRTDTM-JTQLQIEISA-N 1 1 286.401 0.544 50 0 CCAAMO CCOCC[N@H+]1CCC[C@@H]([C@@]2(C)NC(=O)NC2=O)C1 ZINC000084801340 544492819 /nfs/dbraw/zinc/49/28/19/544492819.db2.gz GHTZVIWEPYKAJB-ZWNOBZJWSA-N 1 1 269.345 0.333 50 0 CCAAMO C[C@@H]1C[NH2+]CCN1S(=O)(=O)c1cccc(F)c1F ZINC000193354658 274376273 /nfs/dbraw/zinc/37/62/73/274376273.db2.gz AFORJAVLDPLGEN-MRVPVSSYSA-N 1 1 276.308 0.947 50 0 CCAAMO CC(C)n1cncc1CN1CCN2CC[N@@H+](C)C[C@H]2C1 ZINC000225326025 276087325 /nfs/dbraw/zinc/08/73/25/276087325.db2.gz HPOTUKFZUDADFC-HNNXBMFYSA-N 1 1 277.416 0.896 50 0 CCAAMO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)Cc1ccc2c(c1)OCO2 ZINC000007640738 277236085 /nfs/dbraw/zinc/23/60/85/277236085.db2.gz JFUQMBKWPNOMLS-SECBINFHSA-N 1 1 293.323 0.691 50 0 CCAAMO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc2c(c1)OCO2 ZINC000007640738 277236086 /nfs/dbraw/zinc/23/60/86/277236086.db2.gz JFUQMBKWPNOMLS-SECBINFHSA-N 1 1 293.323 0.691 50 0 CCAAMO C[C@@H]1CN(C(=O)[C@H]2COCC[NH2+]2)C[C@H](c2ccccc2)O1 ZINC000269272400 278677717 /nfs/dbraw/zinc/67/77/17/278677717.db2.gz XYZSLQQODBUIKZ-BPLDGKMQSA-N 1 1 290.363 0.963 50 0 CCAAMO C[C@H](C(N)=O)N1CC[NH+]([C@H]2Cc3ccccc3[C@@H]2O)CC1 ZINC000095987370 279240507 /nfs/dbraw/zinc/24/05/07/279240507.db2.gz NREPNRHGTLEVEN-UGFHNGPFSA-N 1 1 289.379 0.136 50 0 CCAAMO C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000015443814 298132918 /nfs/dbraw/zinc/13/29/18/298132918.db2.gz CLJNMHXMCLNCPJ-RNFRBKRXSA-N 1 1 267.251 0.844 50 0 CCAAMO C[C@H](C(=O)NC(N)=O)[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000015443814 298132921 /nfs/dbraw/zinc/13/29/21/298132921.db2.gz CLJNMHXMCLNCPJ-RNFRBKRXSA-N 1 1 267.251 0.844 50 0 CCAAMO CC(C)CCCC(=O)N[C@H]1COC[C@@H]1N1CC[NH+](C)CC1 ZINC000534659030 328341873 /nfs/dbraw/zinc/34/18/73/328341873.db2.gz AFKZPAHDWMGGHN-GJZGRUSLSA-N 1 1 297.443 0.944 50 0 CCAAMO CCSCC(=O)NCC1(CN2CC[NH+](C)CC2)CC1 ZINC000534658746 328341223 /nfs/dbraw/zinc/34/12/23/328341223.db2.gz ZBGOLHUCHUPTFM-UHFFFAOYSA-N 1 1 285.457 0.883 50 0 CCAAMO CC[N@H+]1C[C@H](NC(=O)c2cc3ncccn3n2)[C@@H](OC)C1 ZINC000534658167 328341387 /nfs/dbraw/zinc/34/13/87/328341387.db2.gz CXROHPCRRCUZEL-RYUDHWBXSA-N 1 1 289.339 0.178 50 0 CCAAMO C[C@@H](O)C(=O)NCC1(N2CC[NH+](C)CC2)CCCC1 ZINC000534665468 328345074 /nfs/dbraw/zinc/34/50/74/328345074.db2.gz NJIISJSOWZHANL-GFCCVEGCSA-N 1 1 269.389 0.044 50 0 CCAAMO O=C(C[N@@H+]1CCC[C@@H](O)C1)NCC1(CO)CCCC1 ZINC000534663496 328351565 /nfs/dbraw/zinc/35/15/65/328351565.db2.gz VZMNWBWDXBIYHE-GFCCVEGCSA-N 1 1 270.373 0.112 50 0 CCAAMO O=C(C[N@H+]1CCC[C@@H](O)C1)NCC1(CO)CCCC1 ZINC000534663496 328351566 /nfs/dbraw/zinc/35/15/66/328351566.db2.gz VZMNWBWDXBIYHE-GFCCVEGCSA-N 1 1 270.373 0.112 50 0 CCAAMO CC1(C)CN(C(=O)[C@@H]([NH3+])c2ccccc2)CCS1(=O)=O 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/nfs/dbraw/zinc/71/44/57/348714457.db2.gz BAXPOTXNADESQM-HNNXBMFYSA-N 1 1 297.443 0.633 50 0 CCAAMO COc1cc(NCC[N@H+]2CCCC[C@@H]2CO)ncn1 ZINC000065496433 348719815 /nfs/dbraw/zinc/71/98/15/348719815.db2.gz YZDKMYLRJFLAMQ-LLVKDONJSA-N 1 1 266.345 0.744 50 0 CCAAMO CS(=O)(=O)N[C@@H]1CCC[N@@H+](CCc2ccncc2)C1 ZINC000065611188 348724146 /nfs/dbraw/zinc/72/41/46/348724146.db2.gz RMGIDLLVLDNYDG-CYBMUJFWSA-N 1 1 283.397 0.638 50 0 CCAAMO CCOC(=O)CCNC(=O)[C@H]1CCCCC[N@H+]1C ZINC000065370303 348712022 /nfs/dbraw/zinc/71/20/22/348712022.db2.gz IOSJJLNDZYVZNX-LLVKDONJSA-N 1 1 256.346 0.930 50 0 CCAAMO C[N@H+]1CCCNC(=O)C12CCN(Cc1c[nH]cn1)CC2 ZINC000067855306 348787297 /nfs/dbraw/zinc/78/72/97/348787297.db2.gz YWHGLHBRVDKNJQ-UHFFFAOYSA-N 1 1 277.372 0.196 50 0 CCAAMO C[N@@H+]1CCCNC(=O)C12CCN(Cc1cnc[nH]1)CC2 ZINC000067855306 348787300 /nfs/dbraw/zinc/78/73/00/348787300.db2.gz YWHGLHBRVDKNJQ-UHFFFAOYSA-N 1 1 277.372 0.196 50 0 CCAAMO C[N@H+]1CCCNC(=O)C12CCN(Cc1cnc[nH]1)CC2 ZINC000067855306 348787302 /nfs/dbraw/zinc/78/73/02/348787302.db2.gz YWHGLHBRVDKNJQ-UHFFFAOYSA-N 1 1 277.372 0.196 50 0 CCAAMO COc1c(C[NH2+][C@@H](C)C(=O)N(C)C)c(C)nn1C ZINC000069443476 348845473 /nfs/dbraw/zinc/84/54/73/348845473.db2.gz FNNKGVZKLUHFBV-VIFPVBQESA-N 1 1 254.334 0.303 50 0 CCAAMO CCc1nc2n(n1)C[C@@H]([NH2+]Cc1nnnn1C1CC1)CC2 ZINC000069601101 348854062 /nfs/dbraw/zinc/85/40/62/348854062.db2.gz IMTXXRAGPOKJPA-VIFPVBQESA-N 1 1 288.359 0.267 50 0 CCAAMO CCOCC[NH+]1CCN(Cc2nnnn2C2CC2)CC1 ZINC000069627401 348855866 /nfs/dbraw/zinc/85/58/66/348855866.db2.gz IIHMUTADLDKUQZ-UHFFFAOYSA-N 1 1 280.376 0.162 50 0 CCAAMO C[N@@H+](CC(=O)N1CCC(Nc2cccnn2)CC1)C1CC1 ZINC000069655543 348856581 /nfs/dbraw/zinc/85/65/81/348856581.db2.gz FNCTVRGLRCJTOA-UHFFFAOYSA-N 1 1 289.383 0.974 50 0 CCAAMO CCOCC[NH+]1CCN([C@@H]2C[C@H](C)OC2=O)CC1 ZINC000069702160 348858777 /nfs/dbraw/zinc/85/87/77/348858777.db2.gz IUWLYSBNRUIVKN-NWDGAFQWSA-N 1 1 256.346 0.345 50 0 CCAAMO CC[C@H](O)C[NH+]1CCN(C(=O)CCn2cc(C)cn2)CC1 ZINC000069969464 348867649 /nfs/dbraw/zinc/86/76/49/348867649.db2.gz RIXCZQGPYXVQMV-AWEZNQCLSA-N 1 1 294.399 0.497 50 0 CCAAMO CC[C@H](O)C[NH+]1CCN(C(=O)COCC2CC2)CC1 ZINC000070003967 348868836 /nfs/dbraw/zinc/86/88/36/348868836.db2.gz IXDIUMBOUIXSOJ-ZDUSSCGKSA-N 1 1 270.373 0.328 50 0 CCAAMO CC[C@H](O)C[NH+]1CCN(C(=O)[C@H](C)SC)CC1 ZINC000070006450 348869203 /nfs/dbraw/zinc/86/92/03/348869203.db2.gz MSWQLMSKLCKFAP-QWRGUYRKSA-N 1 1 260.403 0.653 50 0 CCAAMO Cc1nc(CC(=O)N2CC[NH+](C[C@@H](C)O)CC2)cs1 ZINC000070038734 348869496 /nfs/dbraw/zinc/86/94/96/348869496.db2.gz JJQFFFAYCIJRJN-SNVBAGLBSA-N 1 1 283.397 0.519 50 0 CCAAMO C[C@@H](O)C[NH+]1CCN(C(=O)c2cc(Cl)cn2C)CC1 ZINC000070038672 348870114 /nfs/dbraw/zinc/87/01/14/348870114.db2.gz ZEOLFXVRTDEAPE-SNVBAGLBSA-N 1 1 285.775 0.817 50 0 CCAAMO CSC[C@@H]1CC[N@@H+](CCCNS(C)(=O)=O)C1 ZINC000072292492 348919962 /nfs/dbraw/zinc/91/99/62/348919962.db2.gz NNTVLQFLJDHCHB-SNVBAGLBSA-N 1 1 266.432 0.611 50 0 CCAAMO Cc1cc(C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)on1 ZINC000078788963 349153334 /nfs/dbraw/zinc/15/33/34/349153334.db2.gz OEMPCYNSJDEPAO-RYUDHWBXSA-N 1 1 279.340 0.654 50 0 CCAAMO CN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000081314911 349257378 /nfs/dbraw/zinc/25/73/78/349257378.db2.gz IMOXJQUWHWRRMN-JTQLQIEISA-N 1 1 272.345 0.117 50 0 CCAAMO CN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000081314911 349257379 /nfs/dbraw/zinc/25/73/79/349257379.db2.gz IMOXJQUWHWRRMN-JTQLQIEISA-N 1 1 272.345 0.117 50 0 CCAAMO CN(Cc1ccc2c(c1)OCO2)C(=O)[C@H]1COCC[NH2+]1 ZINC000088370435 349363252 /nfs/dbraw/zinc/36/32/52/349363252.db2.gz FGJHLAKAGVMUFY-LLVKDONJSA-N 1 1 278.308 0.362 50 0 CCAAMO C[C@H]1C[N@H+](C)CCN1C(=O)c1ccc(-n2ccnc2)nn1 ZINC000089938588 349414655 /nfs/dbraw/zinc/41/46/55/349414655.db2.gz ODHZSSGXQAVRGD-NSHDSACASA-N 1 1 286.339 0.438 50 0 CCAAMO C[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc(-n2ccnc2)nn1 ZINC000089938588 349414658 /nfs/dbraw/zinc/41/46/58/349414658.db2.gz ODHZSSGXQAVRGD-NSHDSACASA-N 1 1 286.339 0.438 50 0 CCAAMO CC(=O)NCc1ccc(C(=O)N2CC[N@@H+](C)C[C@H]2C)o1 ZINC000089938595 349414975 /nfs/dbraw/zinc/41/49/75/349414975.db2.gz NGPBMGVZQUGRRP-SNVBAGLBSA-N 1 1 279.340 0.692 50 0 CCAAMO CC(=O)NCc1ccc(C(=O)N2CC[N@H+](C)C[C@H]2C)o1 ZINC000089938595 349414977 /nfs/dbraw/zinc/41/49/77/349414977.db2.gz NGPBMGVZQUGRRP-SNVBAGLBSA-N 1 1 279.340 0.692 50 0 CCAAMO COCC[N@@H+](C)C[C@@H]1CN(c2nccs2)C[C@@H]1CO ZINC000091585631 180199463 /nfs/dbraw/zinc/19/94/63/180199463.db2.gz SLIYLXDDZJILOH-VXGBXAGGSA-N 1 1 285.413 0.766 50 0 CCAAMO CCC(CO)(CO)NC(=O)[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000091547771 180187677 /nfs/dbraw/zinc/18/76/77/180187677.db2.gz KTEFGXCJSAMVKB-CQSZACIVSA-N 1 1 294.395 0.847 50 0 CCAAMO Cc1cccc([C@H](C(=O)NCC(=O)NC2CC2)[NH+](C)C)c1 ZINC000091650542 180216649 /nfs/dbraw/zinc/21/66/49/180216649.db2.gz DOTSFRUSQIMULI-OAHLLOKOSA-N 1 1 289.379 0.993 50 0 CCAAMO Cc1nnc(CCNC(=O)[C@H]2CCC[N@H+](C(C)C)C2)[nH]1 ZINC000091848754 180270853 /nfs/dbraw/zinc/27/08/53/180270853.db2.gz JOWKWTKYEKBBQO-LBPRGKRZSA-N 1 1 279.388 0.892 50 0 CCAAMO Cc1n[nH]c(CCNC(=O)[C@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC000091848754 180270855 /nfs/dbraw/zinc/27/08/55/180270855.db2.gz JOWKWTKYEKBBQO-LBPRGKRZSA-N 1 1 279.388 0.892 50 0 CCAAMO Cc1n[nH]c(CCNC(=O)[C@H]2CCC[N@H+](C(C)C)C2)n1 ZINC000091848754 180270856 /nfs/dbraw/zinc/27/08/56/180270856.db2.gz JOWKWTKYEKBBQO-LBPRGKRZSA-N 1 1 279.388 0.892 50 0 CCAAMO COCc1cc(NCCC[NH+]2CCOCC2)ncn1 ZINC000091974270 180296470 /nfs/dbraw/zinc/29/64/70/180296470.db2.gz HXDGSAVEQHUKTM-UHFFFAOYSA-N 1 1 266.345 0.757 50 0 CCAAMO CSCC(=O)N1CC[N@@H+](C)[C@@]2(C1)CCNC(=O)CC2 ZINC000092022736 180307428 /nfs/dbraw/zinc/30/74/28/180307428.db2.gz QVSYVMQCWXBIGI-CYBMUJFWSA-N 1 1 285.413 0.162 50 0 CCAAMO Cc1n[nH]c(C)c1[C@@H]([NH3+])C(=O)NCCNc1cccnc1 ZINC000092081239 180319614 /nfs/dbraw/zinc/31/96/14/180319614.db2.gz MCIJPVXTGQNKAK-CYBMUJFWSA-N 1 1 288.355 0.650 50 0 CCAAMO C[C@@H]1CN(C[C@@H](O)C[N@@H+](C)CC2CC2)C[C@@H](C)O1 ZINC000108067897 186202683 /nfs/dbraw/zinc/20/26/83/186202683.db2.gz DWZGBLBDLIMKTI-BZPMIXESSA-N 1 1 256.390 0.798 50 0 CCAAMO Cc1nnnn1C[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000193416123 351827873 /nfs/dbraw/zinc/82/78/73/351827873.db2.gz NOGKGPSBFMQPCU-CQSZACIVSA-N 1 1 273.340 0.401 50 0 CCAAMO CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccnc(N)c2)C1 ZINC000193466968 351829255 /nfs/dbraw/zinc/82/92/55/351829255.db2.gz WNILWFJTQVUFFL-LLVKDONJSA-N 1 1 284.385 0.177 50 0 CCAAMO CCNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccnc(N)c2)C1 ZINC000193466968 351829260 /nfs/dbraw/zinc/82/92/60/351829260.db2.gz WNILWFJTQVUFFL-LLVKDONJSA-N 1 1 284.385 0.177 50 0 CCAAMO C[N@@H+]1CCN(C(=O)c2c[nH]c(=O)[nH]2)C[C@@H]1c1ccccc1 ZINC000215444604 351935820 /nfs/dbraw/zinc/93/58/20/351935820.db2.gz CYAWVEIFNJSWNX-CYBMUJFWSA-N 1 1 286.335 0.832 50 0 CCAAMO C[N@H+]1CCN(C(=O)c2c[nH]c(=O)[nH]2)C[C@@H]1c1ccccc1 ZINC000215444604 351935825 /nfs/dbraw/zinc/93/58/25/351935825.db2.gz CYAWVEIFNJSWNX-CYBMUJFWSA-N 1 1 286.335 0.832 50 0 CCAAMO CCN(Cc1n[nH]c(C)c1Cl)[C@H]1COC[C@@H]1O ZINC000216319930 351941155 /nfs/dbraw/zinc/94/11/55/351941155.db2.gz IQFKDUOJZPWORT-UWVGGRQHSA-N 1 1 259.737 0.953 50 0 CCAAMO COc1cc2c(cc1C[N@H+](C)[C@H]1COC[C@@H]1O)OCO2 ZINC000216424355 351942643 /nfs/dbraw/zinc/94/26/43/351942643.db2.gz ROTNBEUMBFNQAG-QWRGUYRKSA-N 1 1 281.308 0.615 50 0 CCAAMO COc1cc2c(cc1C[N@@H+](C)[C@H]1COC[C@@H]1O)OCO2 ZINC000216424355 351942646 /nfs/dbraw/zinc/94/26/46/351942646.db2.gz ROTNBEUMBFNQAG-QWRGUYRKSA-N 1 1 281.308 0.615 50 0 CCAAMO COc1nn(C)cc1C(=O)NCCn1cc[nH+]c1C1CC1 ZINC000225566909 352009353 /nfs/dbraw/zinc/00/93/53/352009353.db2.gz RYYVQMUHSCWIQJ-UHFFFAOYSA-N 1 1 289.339 0.933 50 0 CCAAMO Nc1n[nH]c(C(=O)N2CC([NH+]3CCCCC3)C2)c1Cl ZINC000219428621 351967748 /nfs/dbraw/zinc/96/77/48/351967748.db2.gz BHCRLTGDQDAJED-UHFFFAOYSA-N 1 1 283.763 0.956 50 0 CCAAMO C[C@@H](NC(=O)C[N@H+](C[C@H](C)O)[C@@H](C)CO)c1ccco1 ZINC000225405492 352003640 /nfs/dbraw/zinc/00/36/40/352003640.db2.gz FDUULUGABCXUBQ-SDDRHHMPSA-N 1 1 284.356 0.520 50 0 CCAAMO COC(C[NH+]1CCN(c2ccc(F)cn2)CC1)OC ZINC000225452120 352005219 /nfs/dbraw/zinc/00/52/19/352005219.db2.gz LHWAPJAFXKRVFU-UHFFFAOYSA-N 1 1 269.320 0.962 50 0 CCAAMO C[C@H]1C[N@@H+](C)C[C@@H]1NS(=O)(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000229922331 352097724 /nfs/dbraw/zinc/09/77/24/352097724.db2.gz SJVIVUUHNRTLEX-RNJOBUHISA-N 1 1 289.445 0.749 50 0 CCAAMO C[C@H](Cc1ccccn1)[N@@H+](C)CC(=O)N1CCOCC1 ZINC000244873230 352314157 /nfs/dbraw/zinc/31/41/57/352314157.db2.gz WMGYYUOXTHQJCK-CYBMUJFWSA-N 1 1 277.368 0.803 50 0 CCAAMO C[C@H](CNC(=O)[C@H]1CCCO1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000247984778 352429199 /nfs/dbraw/zinc/42/91/99/352429199.db2.gz IJUMMMLZFSZDTC-FDYHWXHSSA-N 1 1 270.373 0.779 50 0 CCAAMO C[N@H+]1C[C@H]2CN(C(=O)c3ccsc3)C[C@@H](C1)O2 ZINC000257177328 352548183 /nfs/dbraw/zinc/54/81/83/352548183.db2.gz DTQBAGDEBUINKY-PHIMTYICSA-N 1 1 252.339 0.903 50 0 CCAAMO C[N@@H+]1C[C@H]2CN(C(=O)c3ccsc3)C[C@@H](C1)O2 ZINC000257177328 352548187 /nfs/dbraw/zinc/54/81/87/352548187.db2.gz DTQBAGDEBUINKY-PHIMTYICSA-N 1 1 252.339 0.903 50 0 CCAAMO CN(CC(N)=O)C[C@H]1C[N@@H+]([C@@H]2C=CCCC2)CCO1 ZINC000253398442 352533191 /nfs/dbraw/zinc/53/31/91/352533191.db2.gz QUGLVFIXOJZQIS-OLZOCXBDSA-N 1 1 267.373 0.213 50 0 CCAAMO CN(CC(N)=O)C[C@H]1C[N@H+]([C@@H]2C=CCCC2)CCO1 ZINC000253398442 352533193 /nfs/dbraw/zinc/53/31/93/352533193.db2.gz QUGLVFIXOJZQIS-OLZOCXBDSA-N 1 1 267.373 0.213 50 0 CCAAMO CCn1cc(S(=O)(=O)N[C@@H]2C[N@@H+](C)C[C@H]2C)cn1 ZINC000257365967 352554121 /nfs/dbraw/zinc/55/41/21/352554121.db2.gz DLJBKOOUONMJSS-MWLCHTKSSA-N 1 1 272.374 0.131 50 0 CCAAMO O=C(CCc1cn[nH]c1)NCCC[N@@H+]1CCCC[C@@H]1CO ZINC000584887983 359227506 /nfs/dbraw/zinc/22/75/06/359227506.db2.gz HAKGEYYZPPXMGK-CQSZACIVSA-N 1 1 294.399 0.695 50 0 CCAAMO CN(CC[N@@H+](C)C1CCCC1)C(=O)CCn1cnnn1 ZINC000584889851 359229497 /nfs/dbraw/zinc/22/94/97/359229497.db2.gz DPRUISFGESWVLQ-UHFFFAOYSA-N 1 1 280.376 0.396 50 0 CCAAMO C[C@@H]1CCCC[N@H+]1C1CN(C(=O)NCCn2cncn2)C1 ZINC000584894535 359234211 /nfs/dbraw/zinc/23/42/11/359234211.db2.gz CYXIGHHPIBCAPW-GFCCVEGCSA-N 1 1 292.387 0.546 50 0 CCAAMO C[N@@H+]1CCN(C(=O)[C@H]2CC[C@@H](O)CC2)C[C@@H]1CCO ZINC000584894764 359235476 /nfs/dbraw/zinc/23/54/76/359235476.db2.gz WIALKUJABVNFBQ-RWMBFGLXSA-N 1 1 270.373 0.063 50 0 CCAAMO C[N@H+]1CCN(C(=O)[C@H]2CC[C@@H](O)CC2)C[C@@H]1CCO ZINC000584894764 359235484 /nfs/dbraw/zinc/23/54/84/359235484.db2.gz WIALKUJABVNFBQ-RWMBFGLXSA-N 1 1 270.373 0.063 50 0 CCAAMO Cc1[nH+]cn(CCn2cnc3nccnc3c2=O)c1C ZINC000584894586 359235820 /nfs/dbraw/zinc/23/58/20/359235820.db2.gz IKBUVASUXPTUEH-UHFFFAOYSA-N 1 1 270.296 0.700 50 0 CCAAMO CN(C[C@H]1CC[N@@H+](C)C1(C)C)C(=O)CN1CCOCC1 ZINC000584895675 359236137 /nfs/dbraw/zinc/23/61/37/359236137.db2.gz AORMYXBKCXHTLN-CYBMUJFWSA-N 1 1 283.416 0.507 50 0 CCAAMO C[N@H+]1C[C@@H]2CCC[C@H]1CN(C(=O)c1c[nH]c(=O)[nH]1)C2 ZINC000584899477 359239187 /nfs/dbraw/zinc/23/91/87/359239187.db2.gz YNHRPJPWMSXSFC-UWVGGRQHSA-N 1 1 264.329 0.672 50 0 CCAAMO C[C@H](CS(C)(=O)=O)[NH2+]Cc1cc(C2CC2)n[nH]1 ZINC000584901412 359241618 /nfs/dbraw/zinc/24/16/18/359241618.db2.gz YXHHXCCWHJAJKK-MRVPVSSYSA-N 1 1 257.359 0.810 50 0 CCAAMO COCC[N@H+]1CC[C@H](CN(C)C(=O)c2n[nH]nc2C)C1 ZINC000584902981 359242756 /nfs/dbraw/zinc/24/27/56/359242756.db2.gz CREAHWPKGJETFB-LLVKDONJSA-N 1 1 281.360 0.153 50 0 CCAAMO COCC[N@@H+]1CC[C@H](CN(C)C(=O)c2[nH]nnc2C)C1 ZINC000584902981 359242758 /nfs/dbraw/zinc/24/27/58/359242758.db2.gz CREAHWPKGJETFB-LLVKDONJSA-N 1 1 281.360 0.153 50 0 CCAAMO C[C@@H](CN1CCN(C)CC1)[NH2+]CCc1noc(C2CC2)n1 ZINC000584903280 359244540 /nfs/dbraw/zinc/24/45/40/359244540.db2.gz WTBUIASCARTMPK-LBPRGKRZSA-N 1 1 293.415 0.715 50 0 CCAAMO CCO[C@@H]1C[C@@](CO)([NH2+]Cc2cn(C)nn2)C1(C)C ZINC000331746696 204118688 /nfs/dbraw/zinc/11/86/88/204118688.db2.gz DBAZONRFAOJUTD-YPMHNXCESA-N 1 1 268.361 0.471 50 0 CCAAMO C[C@@H]([C@@H](O)c1ccccc1)[N@H+](C)CC(=O)N1CCOCC1 ZINC000000525526 388753362 /nfs/dbraw/zinc/75/33/62/388753362.db2.gz CGLMVMMFOQVREH-XJKSGUPXSA-N 1 1 292.379 0.899 50 0 biogenic CCAAMO C[C@@H]([C@@H](O)c1ccccc1)[N@@H+](C)CC(=O)N1CCOCC1 ZINC000000525526 388753367 /nfs/dbraw/zinc/75/33/67/388753367.db2.gz CGLMVMMFOQVREH-XJKSGUPXSA-N 1 1 292.379 0.899 50 0 biogenic CCAAMO Cc1ccc(N2C(=O)C[C@H](N3CC[NH+](C)CC3)C2=O)cc1 ZINC000019210593 388792081 /nfs/dbraw/zinc/79/20/81/388792081.db2.gz CLFCGIPJOJEPFL-AWEZNQCLSA-N 1 1 287.363 0.874 50 0 CCAAMO O=S(=O)(CC[N@@H+]1CCC[C@@H](O)C1)Oc1ccccc1 ZINC000024094091 388806008 /nfs/dbraw/zinc/80/60/08/388806008.db2.gz UJZFNMMBMUZVEM-GFCCVEGCSA-N 1 1 285.365 0.852 50 0 CCAAMO CC[N@@H+](CCO)Cc1cc(=O)n2cc(C)ccc2n1 ZINC000024671429 388809084 /nfs/dbraw/zinc/80/90/84/388809084.db2.gz UXHCSLHIPCCQMF-UHFFFAOYSA-N 1 1 261.325 0.817 50 0 CCAAMO CC(C)CC[N@@H+]1CCNC(=O)[C@H]1CC(=O)N1CCCO1 ZINC000011873172 388775505 /nfs/dbraw/zinc/77/55/05/388775505.db2.gz IAWLGHSIGVSDNG-GFCCVEGCSA-N 1 1 283.372 0.387 50 0 CCAAMO CC(C)CC[N@H+]1CCNC(=O)[C@H]1CC(=O)N1CCCO1 ZINC000011873172 388775509 /nfs/dbraw/zinc/77/55/09/388775509.db2.gz IAWLGHSIGVSDNG-GFCCVEGCSA-N 1 1 283.372 0.387 50 0 CCAAMO C[NH+](C)CCNC(=O)Cc1n[nH]c(-c2ccncc2)n1 ZINC000012421819 388784578 /nfs/dbraw/zinc/78/45/78/388784578.db2.gz RMHPYFFTHLHLBR-UHFFFAOYSA-N 1 1 274.328 0.087 50 0 CCAAMO C[NH+](C)CCNC(=O)Cc1nc(-c2ccncc2)n[nH]1 ZINC000012421819 388784583 /nfs/dbraw/zinc/78/45/83/388784583.db2.gz RMHPYFFTHLHLBR-UHFFFAOYSA-N 1 1 274.328 0.087 50 0 CCAAMO COCC[N@@H+](C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000027362280 388823181 /nfs/dbraw/zinc/82/31/81/388823181.db2.gz MJXNROKGTAJHAJ-SNVBAGLBSA-N 1 1 272.370 0.973 50 0 CCAAMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@@H]1CCS(=O)(=O)C1 ZINC000046996473 388878893 /nfs/dbraw/zinc/87/88/93/388878893.db2.gz ZTDOFYWIYYORKQ-UTUOFQBUSA-N 1 1 286.397 0.164 50 0 CCAAMO Cc1n[nH]c(C)c1[C@@H](C)NC(=O)c1cc2n(n1)CC[NH2+]C2 ZINC000067458159 388947224 /nfs/dbraw/zinc/94/72/24/388947224.db2.gz ATKNWFOOPSFTEC-MRVPVSSYSA-N 1 1 288.355 0.817 50 0 CCAAMO CCOCC[N@H+]1CCN(CCNC(C)=O)C[C@@H]1CC ZINC000069738436 388951852 /nfs/dbraw/zinc/95/18/52/388951852.db2.gz ZDALGSSRAGTOPM-AWEZNQCLSA-N 1 1 271.405 0.555 50 0 CCAAMO C[NH+](C)CCNC(=O)c1[nH]nc2c1CCCCC2 ZINC000096231373 389055320 /nfs/dbraw/zinc/05/53/20/389055320.db2.gz VFQVZXSLWGQXLH-UHFFFAOYSA-N 1 1 250.346 0.970 50 0 CCAAMO COC(=O)C[C@@H]1C(=O)NCC[N@H+]1CC1CCCC1 ZINC000095350418 389041017 /nfs/dbraw/zinc/04/10/17/389041017.db2.gz DEAIXRWKWYESQC-LLVKDONJSA-N 1 1 254.330 0.540 50 0 CCAAMO COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1CC1CCCC1 ZINC000095350418 389041018 /nfs/dbraw/zinc/04/10/18/389041018.db2.gz DEAIXRWKWYESQC-LLVKDONJSA-N 1 1 254.330 0.540 50 0 CCAAMO Cc1ccnc(N2CC[C@@H]([NH+]3CCN(C)CC3)C2)n1 ZINC000095385323 389041847 /nfs/dbraw/zinc/04/18/47/389041847.db2.gz YCBGNHIMVGVYKL-CYBMUJFWSA-N 1 1 261.373 0.611 50 0 CCAAMO COC(=O)N[C@@H](C)C(=O)NCCNc1[nH+]cccc1C ZINC000223104444 389143044 /nfs/dbraw/zinc/14/30/44/389143044.db2.gz HWMZGWJPEGVCJQ-JTQLQIEISA-N 1 1 280.328 0.663 50 0 CCAAMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cccc(N)n1 ZINC000251743606 389263001 /nfs/dbraw/zinc/26/30/01/389263001.db2.gz KZAMQODWGKBFSF-MNOVXSKESA-N 1 1 260.341 0.973 50 0 CCAAMO CC(C)n1cnnc1CNC(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000426423704 389666185 /nfs/dbraw/zinc/66/61/85/389666185.db2.gz QCPVYHLKJPYZPJ-GFCCVEGCSA-N 1 1 294.403 0.111 50 0 CCAAMO CCCCc1ncc(CN2C[C@@H]3[NH2+]CCO[C@H]3C2)[nH]1 ZINC000426653006 389675835 /nfs/dbraw/zinc/67/58/35/389675835.db2.gz SJLDKWVDQGYANY-STQMWFEESA-N 1 1 264.373 0.925 50 0 CCAAMO Cc1ccc(CCNC(=O)[C@@H](C)N2CC[NH+](C)CC2)o1 ZINC000426684453 389676994 /nfs/dbraw/zinc/67/69/94/389676994.db2.gz MDCUYIRPNYZATL-CYBMUJFWSA-N 1 1 279.384 0.883 50 0 CCAAMO COCCC[N@H+]1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC000107504335 411698767 /nfs/dbraw/zinc/69/87/67/411698767.db2.gz XDXCPHUFXXUFTA-GDBMZVCRSA-N 1 1 297.443 0.897 50 0 CCAAMO O=C([C@@H]1CCC[N@H+]1C[C@@H]1CCCCO1)N1CCOCC1 ZINC000107346206 411699001 /nfs/dbraw/zinc/69/90/01/411699001.db2.gz ADHBFVVWONAHJT-KBPBESRZSA-N 1 1 282.384 0.879 50 0 CCAAMO CCCn1ccnc1CNC(=O)[C@H]([NH3+])c1c(C)n[nH]c1C ZINC000222975179 411738854 /nfs/dbraw/zinc/73/88/54/411738854.db2.gz JKILGTCNWYFLFH-CYBMUJFWSA-N 1 1 290.371 0.949 50 0 CCAAMO Nc1nc(C(=O)NCC2(C[NH+]3CCOCC3)CC2)cs1 ZINC000426431188 411819336 /nfs/dbraw/zinc/81/93/36/411819336.db2.gz XLFVSXJLLADJLG-UHFFFAOYSA-N 1 1 296.396 0.568 50 0 CCAAMO Nc1nc(NC2CCOCC2)cc([C@H]2CCOC2)[nH+]1 ZINC000426493875 411819873 /nfs/dbraw/zinc/81/98/73/411819873.db2.gz ADHGVBIGBYFSKO-VIFPVBQESA-N 1 1 264.329 0.576 50 0 CCAAMO COc1cccc(OCC(=O)N2CC[NH+](C)CC2)c1 ZINC000022034354 171350225 /nfs/dbraw/zinc/35/02/25/171350225.db2.gz UHKQZCGJNCDSNY-UHFFFAOYSA-N 1 1 264.325 0.848 50 0 CCAAMO Cn1cc(CCC(=O)N2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000028246719 171553705 /nfs/dbraw/zinc/55/37/05/171553705.db2.gz UXKSTYFLSXQQER-ZDUSSCGKSA-N 1 1 262.357 0.659 50 0 CCAAMO CCCCn1nnnc1C[NH2+][C@@H](C)Cn1cccn1 ZINC000065593995 175753044 /nfs/dbraw/zinc/75/30/44/175753044.db2.gz MBPYHPVWDQJSLK-NSHDSACASA-N 1 1 263.349 0.848 50 0 CCAAMO COc1ccc(C(=O)N2CC[NH+](CC(C)(C)O)CC2)cn1 ZINC000070942920 176015723 /nfs/dbraw/zinc/01/57/23/176015723.db2.gz VPMWFXPAWJRQHG-UHFFFAOYSA-N 1 1 293.367 0.619 50 0 CCAAMO CC[C@@H](O)C[NH+]1CCN(C(=O)c2ccc[nH]2)CC1 ZINC000071880963 176287475 /nfs/dbraw/zinc/28/74/75/176287475.db2.gz WUTRDJQERHKCJC-LLVKDONJSA-N 1 1 251.330 0.543 50 0 CCAAMO CC[C@H](C)[N@@H+](C)CCNS(=O)(=O)C1CCOCC1 ZINC000071889232 176291212 /nfs/dbraw/zinc/29/12/12/176291212.db2.gz PRHGOQFNQOQVMF-NSHDSACASA-N 1 1 278.418 0.815 50 0 CCAAMO NC(=O)c1cccc(C[C@@H]2CC[N@@H+](CCOCCO)C2)c1 ZINC000072149426 176326569 /nfs/dbraw/zinc/32/65/69/176326569.db2.gz UKGRMGKTNDDLTD-AWEZNQCLSA-N 1 1 292.379 0.659 50 0 CCAAMO Cc1nc(S(=O)(=O)N2CC[N@H+]3CCC[C@@H]3C2)cn1C ZINC000072277726 176356802 /nfs/dbraw/zinc/35/68/02/176356802.db2.gz QPZKDULYRGKGDP-LLVKDONJSA-N 1 1 284.385 0.197 50 0 CCAAMO CCn1cc(S(=O)(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)cn1 ZINC000072282413 176358683 /nfs/dbraw/zinc/35/86/83/176358683.db2.gz SVFTULSAXGTPDK-RYUDHWBXSA-N 1 1 298.412 0.760 50 0 CCAAMO CCc1[nH+]ccn1CCCNC(=O)Cc1nonc1C ZINC000217775961 262344568 /nfs/dbraw/zinc/34/45/68/262344568.db2.gz UWNMUWOBSQBWTM-UHFFFAOYSA-N 1 1 277.328 0.886 50 0 CCAAMO O=C1O[C@@H](N2CC[NH+](CCO)CC2)c2ccccc21 ZINC000019359514 275027195 /nfs/dbraw/zinc/02/71/95/275027195.db2.gz TVIRJJOJUUVATH-CYBMUJFWSA-N 1 1 262.309 0.466 50 0 CCAAMO C[N@H+]1CC[C@@H]2OCCN(C(=O)CCn3ccnc3)[C@H]2C1 ZINC000285995858 277150605 /nfs/dbraw/zinc/15/06/05/277150605.db2.gz YPTMDUHOSJIDKJ-STQMWFEESA-N 1 1 278.356 0.205 50 0 CCAAMO CNC(=O)NC(=O)[C@H](C)[N@H+](C)Cc1ccc2c(c1)OCO2 ZINC000007640734 277236760 /nfs/dbraw/zinc/23/67/60/277236760.db2.gz JFUQMBKWPNOMLS-VIFPVBQESA-N 1 1 293.323 0.691 50 0 CCAAMO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)Cc1ccc2c(c1)OCO2 ZINC000007640734 277236761 /nfs/dbraw/zinc/23/67/61/277236761.db2.gz JFUQMBKWPNOMLS-VIFPVBQESA-N 1 1 293.323 0.691 50 0 CCAAMO CC(C)C[NH+]1CCC(N2CCN(CCO)CC2)CC1 ZINC000032580860 277383075 /nfs/dbraw/zinc/38/30/75/277383075.db2.gz JOMXKDOFAFRLPS-UHFFFAOYSA-N 1 1 269.433 0.717 50 0 CCAAMO C[C@H](C(=O)N1CCCCCC1)N1CC[NH+](C[C@H](C)O)CC1 ZINC000069737165 279191757 /nfs/dbraw/zinc/19/17/57/279191757.db2.gz XRUHKSYWKZIGHX-LSDHHAIUSA-N 1 1 297.443 0.776 50 0 CCAAMO O=C([C@H]1CNCCO1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000188151861 280143934 /nfs/dbraw/zinc/14/39/34/280143934.db2.gz KSAIENFZWKDDPJ-CQSZACIVSA-N 1 1 281.400 0.452 50 0 CCAAMO O=C([C@H]1CNCCO1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000188151861 280143936 /nfs/dbraw/zinc/14/39/36/280143936.db2.gz KSAIENFZWKDDPJ-CQSZACIVSA-N 1 1 281.400 0.452 50 0 CCAAMO C[N@H+]1CCN(C(=O)[C@@H]2COCCO2)C2(CCCCC2)C1 ZINC000080941335 290021930 /nfs/dbraw/zinc/02/19/30/290021930.db2.gz UUJKYMOTEOPWQW-ZDUSSCGKSA-N 1 1 282.384 0.879 50 0 CCAAMO C[C@H]1CCCCN1S(=O)(=O)N1CCC[N@@H+](C)CC1 ZINC000044910642 290394702 /nfs/dbraw/zinc/39/47/02/290394702.db2.gz GPMPISDEWQZDCM-LBPRGKRZSA-N 1 1 275.418 0.743 50 0 CCAAMO COC[C@H](O)C[N@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000106852425 293175533 /nfs/dbraw/zinc/17/55/33/293175533.db2.gz FXUKGARABJSQOX-CHWSQXEVSA-N 1 1 286.416 0.868 50 0 CCAAMO NC(=O)NC(=O)CC[N@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000177204559 303268892 /nfs/dbraw/zinc/26/88/92/303268892.db2.gz CNMBEHFMWQISNQ-NXEZZACHSA-N 1 1 271.386 0.931 50 0 CCAAMO CN(C)C(=O)NCC(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000534581726 328311982 /nfs/dbraw/zinc/31/19/82/328311982.db2.gz QFCHCWMLVRIORS-NSHDSACASA-N 1 1 284.404 0.494 50 0 CCAAMO CC[N@@H+](C)C1(CNC(=O)c2cncc(=O)[nH]2)CCCC1 ZINC000534586722 328315529 /nfs/dbraw/zinc/31/55/29/328315529.db2.gz ZXPPAERRBWRCHP-UHFFFAOYSA-N 1 1 278.356 0.764 50 0 CCAAMO COCc1noc(CNC(=O)c2ccc(C[NH+](C)C)o2)n1 ZINC000534588405 328316728 /nfs/dbraw/zinc/31/67/28/328316728.db2.gz VCBJBTAWEKGNDS-UHFFFAOYSA-N 1 1 294.311 0.801 50 0 CCAAMO Cc1nc(NC[C@@H](O)C[NH+](C)C)c(Cl)c(=O)[nH]1 ZINC000534666098 328345130 /nfs/dbraw/zinc/34/51/30/328345130.db2.gz AGEYALXANFSNAZ-SSDOTTSWSA-N 1 1 260.725 0.478 50 0 CCAAMO Cc1cccc(C[NH+]2CCC(NS(C)(=O)=O)CC2)n1 ZINC000077422064 327132266 /nfs/dbraw/zinc/13/22/66/327132266.db2.gz WBJAGSRXWSGUGV-UHFFFAOYSA-N 1 1 283.397 0.904 50 0 CCAAMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)c1cnc(N)s1 ZINC000584885647 545102420 /nfs/dbraw/zinc/10/24/20/545102420.db2.gz RTPBPWFUJZLVMA-QMMMGPOBSA-N 1 1 254.359 0.892 50 0 CCAAMO CC(C)C(=O)N1CCC[C@@H](Nc2nc(N)cc[nH+]2)C1 ZINC000584885007 545102434 /nfs/dbraw/zinc/10/24/34/545102434.db2.gz UHEOYTVZGKKUCS-SNVBAGLBSA-N 1 1 263.345 1.118 50 0 CCAAMO NC(=O)CC[C@H]1CCCN(C(=O)[C@H]2CSC[NH2+]2)C1 ZINC000156403584 526877131 /nfs/dbraw/zinc/87/71/31/526877131.db2.gz SUZGMPHWXZKHDN-NXEZZACHSA-N 1 1 271.386 0.153 50 0 CCAAMO CCCCN1CCN(CCc2[nH]cc[nH+]2)CC1=O ZINC000670437709 545235168 /nfs/dbraw/zinc/23/51/68/545235168.db2.gz CDJHIXFZQMQDSJ-UHFFFAOYSA-N 1 1 250.346 0.897 50 0 CCAAMO CNC(=O)[C@H]1CC[N@@H+](Cc2[nH]cc(C)c(=O)c2C)C1 ZINC000670451072 545235897 /nfs/dbraw/zinc/23/58/97/545235897.db2.gz SCRIPCXAIUTUFJ-NSHDSACASA-N 1 1 263.341 0.560 50 0 CCAAMO Cc1ccnn1CCC(=O)NCC[N@H+]1CCCC[C@@H]1CO ZINC000670452530 545236019 /nfs/dbraw/zinc/23/60/19/545236019.db2.gz SBRWFTQDRBNIGI-CQSZACIVSA-N 1 1 294.399 0.545 50 0 CCAAMO CO[C@H]1C[N@H+](C2CCN(C(=O)C3CC3)CC2)C[C@@H]1O ZINC000670456235 545236286 /nfs/dbraw/zinc/23/62/86/545236286.db2.gz WNPTVHLATPDHNO-STQMWFEESA-N 1 1 268.357 0.079 50 0 CCAAMO CC(=O)N1CCC([NH2+][C@@H]2CCc3cn[nH]c3C2)CC1 ZINC000670468591 545236841 /nfs/dbraw/zinc/23/68/41/545236841.db2.gz FSHUINVUKPCTER-CYBMUJFWSA-N 1 1 262.357 0.868 50 0 CCAAMO CC[N@H+]1CCCC[C@@H]1CNc1cc2nncn2c(N)n1 ZINC000952984176 615113810 /nfs/dbraw/zinc/11/38/10/615113810.db2.gz OQXXSWKCHKZMNA-SNVBAGLBSA-N 1 1 275.360 0.993 50 0 CCAAMO CC[C@@H](C(=O)NCC(=O)N1CCCC1)[N@@H+](C)CC ZINC000952967055 615380095 /nfs/dbraw/zinc/38/00/95/615380095.db2.gz YSQCJPIFWJZJIZ-NSHDSACASA-N 1 1 255.362 0.455 50 0 CCAAMO CCn1ccc(CNCCC[N@H+]2CCC[C@H](O)C2)n1 ZINC000952988371 616031944 /nfs/dbraw/zinc/03/19/44/616031944.db2.gz NNADGUWIJUWCPD-AWEZNQCLSA-N 1 1 266.389 0.839 50 0 CCAAMO CO[C@H]1COCC[C@@H]1[NH+]1CCN(C(=O)OCCF)CC1 ZINC000952963903 617114635 /nfs/dbraw/zinc/11/46/35/617114635.db2.gz NDINDTRROKBROP-RYUDHWBXSA-N 1 1 290.335 0.514 50 0 CCAAMO O=c1[nH]ccn1CC[N@H+]1CCC[C@@H](c2cc(=O)[nH]cn2)C1 ZINC000299783055 625663390 /nfs/dbraw/zinc/66/33/90/625663390.db2.gz FDBQECOYXNRKGZ-LLVKDONJSA-N 1 1 289.339 0.552 50 0 CCAAMO CN1CCCC[C@H]1C[N@@H+](C)CCCn1cnnn1 ZINC000244899998 630843790 /nfs/dbraw/zinc/84/37/90/630843790.db2.gz ZUBAEOJYKAARPN-LBPRGKRZSA-N 1 1 252.366 0.479 50 0 CCAAMO CN(CCCn1cnnn1)C[C@@H]1CCCC[N@@H+]1C ZINC000244899998 630843797 /nfs/dbraw/zinc/84/37/97/630843797.db2.gz ZUBAEOJYKAARPN-LBPRGKRZSA-N 1 1 252.366 0.479 50 0 CCAAMO CN(CCCn1cnnn1)C[C@@H]1CCCC[N@H+]1C ZINC000244899998 630843801 /nfs/dbraw/zinc/84/38/01/630843801.db2.gz ZUBAEOJYKAARPN-LBPRGKRZSA-N 1 1 252.366 0.479 50 0 CCAAMO CS(=O)(=O)CCN1CCC[N@H+](C2CCCC2)CC1 ZINC000172585053 637181467 /nfs/dbraw/zinc/18/14/67/637181467.db2.gz LWERHMKXUIZAAE-UHFFFAOYSA-N 1 1 274.430 0.981 50 0 CCAAMO OCC[C@@H]1CN(CCO)CC[N@H+]1C1CCCCC1 ZINC000020994546 651063210 /nfs/dbraw/zinc/06/32/10/651063210.db2.gz ULZDGWBGRGQUSO-CQSZACIVSA-N 1 1 256.390 0.680 50 0 CCAAMO OC[C@@H]1CCC[N@H+](CCNCc2nccs2)C1 ZINC000952977492 649614195 /nfs/dbraw/zinc/61/41/95/649614195.db2.gz XTHHZMLYMDEHLU-LLVKDONJSA-N 1 1 255.387 0.937 50 0 CCAAMO OC[C@@H]1CCC[N@@H+](CCNCc2nccs2)C1 ZINC000952977492 649614197 /nfs/dbraw/zinc/61/41/97/649614197.db2.gz XTHHZMLYMDEHLU-LLVKDONJSA-N 1 1 255.387 0.937 50 0 CCAAMO OC[C@@H]1CCCC[N@H+]1CCNc1ncc(F)cn1 ZINC000952981766 649614204 /nfs/dbraw/zinc/61/42/04/649614204.db2.gz VAXNMTMFJIMYCO-NSHDSACASA-N 1 1 254.309 0.874 50 0 CCAAMO CC[N@H+]1CCC[C@@H](CN2CC[NH+](CCC(=O)[O-])CC2)C1 ZINC000823109862 821508575 /nfs/dbraw/zinc/50/85/75/821508575.db2.gz DCTUPCRJLQKPRH-CQSZACIVSA-N 1 1 283.416 0.811 50 0 CCAAMO CCS(=O)(=O)NC[C@@H](C)NCC1([NH+](C)C)CCCC1 ZINC000823412691 821519308 /nfs/dbraw/zinc/51/93/08/821519308.db2.gz FHIBPJNHAWLIDA-GFCCVEGCSA-N 1 1 291.461 0.778 50 0 CCAAMO Cc1[nH+]ccn1[C@H](C)CC(=O)NCCn1ccnn1 ZINC000827802690 821696787 /nfs/dbraw/zinc/69/67/87/821696787.db2.gz SJELXKYVEUFZBS-SNVBAGLBSA-N 1 1 262.317 0.551 50 0 CCAAMO O=C(NCCC[N@@H+]1CCCC[C@@H]1CO)c1ncc[nH]1 ZINC000828710755 821811979 /nfs/dbraw/zinc/81/19/79/821811979.db2.gz AXIXVFDCYDAMHC-LLVKDONJSA-N 1 1 266.345 0.376 50 0 CCAAMO COC(C)(C)C(=O)NCCC[N@H+]1CCCC[C@H]1CO ZINC000828710766 821812027 /nfs/dbraw/zinc/81/20/27/821812027.db2.gz CJUGQQIIRIGXOS-LBPRGKRZSA-N 1 1 272.389 0.765 50 0 CCAAMO C[N@@H+]1CCCCC[C@H]1c1nc(CC(N)=O)nn1CCCO ZINC000828754135 821829847 /nfs/dbraw/zinc/82/98/47/821829847.db2.gz CBAQSPQTOITVOR-NSHDSACASA-N 1 1 295.387 0.235 50 0 CCAAMO C[N@H+]1CCCCC[C@H]1c1nc(CC(N)=O)nn1CCCO ZINC000828754135 821829856 /nfs/dbraw/zinc/82/98/56/821829856.db2.gz CBAQSPQTOITVOR-NSHDSACASA-N 1 1 295.387 0.235 50 0 CCAAMO O=C(N[C@@H]1C[N@@H+](C2CCOCC2)CC[C@@H]1CO)C1CC1 ZINC000581799088 822278892 /nfs/dbraw/zinc/27/88/92/822278892.db2.gz IQMOELWMGGRWEI-TZMCWYRMSA-N 1 1 282.384 0.374 50 0 CCAAMO C=CC(=O)N(CC)CC(=O)N1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000585135440 839617713 /nfs/dbraw/zinc/61/77/13/839617713.db2.gz KBCWJERAMPPBMS-NEPJUHHUSA-N 1 1 267.373 0.572 50 0 CCAAMO OC[C@H]1CC[N@@H+](Cc2cc(-c3ccccn3)no2)C[C@H]1O ZINC000072166690 854028860 /nfs/dbraw/zinc/02/88/60/854028860.db2.gz UWACUQUTZAWVFF-IAQYHMDHSA-N 1 1 289.335 0.912 50 0 CCAAMO COC[C@@H](O)C[N@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000096447074 230374672 /nfs/dbraw/zinc/37/46/72/230374672.db2.gz AHYYEUWEQZTTEW-YPMHNXCESA-N 1 1 253.346 0.292 50 0 CCAAMO NC(=O)[C@H]1C[N@@H+](Cc2cccc3[nH]ccc32)CCO1 ZINC000092735848 349504563 /nfs/dbraw/zinc/50/45/63/349504563.db2.gz MIFMLBSTRVFDKJ-CYBMUJFWSA-N 1 1 259.309 0.854 50 0 CCAAMO O=C(C[N@H+]1CCC[C@@H]1CO)NCC(=O)c1ccccc1 ZINC000083198860 178355040 /nfs/dbraw/zinc/35/50/40/178355040.db2.gz GBUHQHKOCLTNTO-CYBMUJFWSA-N 1 1 276.336 0.442 50 0 CCAAMO O=C(C[N@@H+]1CCC[C@@H]1CO)NCC(=O)c1ccccc1 ZINC000083198860 178355042 /nfs/dbraw/zinc/35/50/42/178355042.db2.gz GBUHQHKOCLTNTO-CYBMUJFWSA-N 1 1 276.336 0.442 50 0 CCAAMO C[C@@H]1CN(C[C@H](O)C[N@@H+](C)CC2CC2)C[C@@H](C)O1 ZINC000095373419 349603798 /nfs/dbraw/zinc/60/37/98/349603798.db2.gz DWZGBLBDLIMKTI-YRGRVCCFSA-N 1 1 256.390 0.798 50 0 CCAAMO CCc1cnc(N2CC[NH+](CCn3cncn3)CC2)nc1 ZINC000095387765 349606135 /nfs/dbraw/zinc/60/61/35/349606135.db2.gz FULPRXLRBQZVSR-UHFFFAOYSA-N 1 1 287.371 0.453 50 0 CCAAMO Cn1ncnc1CCNC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000095384781 349606173 /nfs/dbraw/zinc/60/61/73/349606173.db2.gz MGZCXTGHPQWHHB-LBPRGKRZSA-N 1 1 279.388 0.738 50 0 CCAAMO Cc1nc(CNC(=O)[C@H]2CCCCC[N@@H+]2C)cc(=O)[nH]1 ZINC000095383093 349606433 /nfs/dbraw/zinc/60/64/33/349606433.db2.gz MAYVRRRVWMUHBM-GFCCVEGCSA-N 1 1 278.356 0.569 50 0 CCAAMO CCc1cnc(N2CCC([N@@H+](C)CCO)CC2)nc1 ZINC000095384868 349606460 /nfs/dbraw/zinc/60/64/60/349606460.db2.gz ALIMOIYCWKVKNF-UHFFFAOYSA-N 1 1 264.373 0.932 50 0 CCAAMO CCCc1nnc(N2CC[NH+](CCOC)CC2)o1 ZINC000095384834 349606495 /nfs/dbraw/zinc/60/64/95/349606495.db2.gz QGNVCZVYDXMRHY-UHFFFAOYSA-N 1 1 254.334 0.791 50 0 CCAAMO NC(=O)Cn1cc[nH+]c1[C@@H]1CCCN(c2ncccn2)C1 ZINC000095521747 349615620 /nfs/dbraw/zinc/61/56/20/349615620.db2.gz LASCMMPAIXHOEN-LLVKDONJSA-N 1 1 286.339 0.542 50 0 CCAAMO O=C(c1ccco1)N1CC[NH+](C[C@H](O)C2CC2)CC1 ZINC000085436665 179062931 /nfs/dbraw/zinc/06/29/31/179062931.db2.gz UMFLHXOMXBLBHJ-LBPRGKRZSA-N 1 1 264.325 0.808 50 0 CCAAMO Cc1[nH+]ccn1CC1CCN(S(=O)(=O)N(C)C)CC1 ZINC000085436376 179063078 /nfs/dbraw/zinc/06/30/78/179063078.db2.gz MXUPAKQXJQICSI-UHFFFAOYSA-N 1 1 286.401 0.710 50 0 CCAAMO Cc1ccccc1[C@@H](C(=O)NC(CO)CO)[NH+](C)C ZINC000095377130 302113489 /nfs/dbraw/zinc/11/34/89/302113489.db2.gz QIEKCOVSRJNSOK-ZDUSSCGKSA-N 1 1 266.341 0.067 50 0 CCAAMO Cn1cc[nH+]c1N1CCN(CC(=O)NC2CCCC2)CC1 ZINC000013694355 348029137 /nfs/dbraw/zinc/02/91/37/348029137.db2.gz WLRCAYAFVPZYHY-UHFFFAOYSA-N 1 1 291.399 0.601 50 0 CCAAMO CNC(=S)N1CC[NH+](CCc2ccncc2)CC1 ZINC000013691125 348029311 /nfs/dbraw/zinc/02/93/11/348029311.db2.gz APRZABMWPLPLMV-UHFFFAOYSA-N 1 1 264.398 0.746 50 0 CCAAMO Cc1ccc(C(=O)NCCC[NH+]2CCOCC2)cn1 ZINC000019797508 348070085 /nfs/dbraw/zinc/07/00/85/348070085.db2.gz XCHQRSVSCLFOQL-UHFFFAOYSA-N 1 1 263.341 0.842 50 0 CCAAMO C[N@H+](CC(=O)N[C@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000016334346 348045263 /nfs/dbraw/zinc/04/52/63/348045263.db2.gz HXUOFEWXUUMTCN-NSHDSACASA-N 1 1 288.413 0.554 50 0 CCAAMO C[N@@H+](CC(=O)N[C@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000016334346 348045265 /nfs/dbraw/zinc/04/52/65/348045265.db2.gz HXUOFEWXUUMTCN-NSHDSACASA-N 1 1 288.413 0.554 50 0 CCAAMO CC[NH+]1CCN(C[C@@]2(O)CCCN(CC3CC3)C2=O)CC1 ZINC000019225457 348058031 /nfs/dbraw/zinc/05/80/31/348058031.db2.gz ZEWRFWBNEJHFDT-INIZCTEOSA-N 1 1 295.427 0.387 50 0 CCAAMO [NH3+]Cc1noc(C(=O)NCCc2c[nH]c3ccccc23)n1 ZINC000034924898 348152392 /nfs/dbraw/zinc/15/23/92/348152392.db2.gz PYPCFOKMIHMBQS-UHFFFAOYSA-N 1 1 285.307 0.982 50 0 CCAAMO Cc1cc(=O)n(CC[N@H+]2CCCO[C@@H](C)C2)c(=O)[nH]1 ZINC000253536754 352537513 /nfs/dbraw/zinc/53/75/13/352537513.db2.gz NFNRPFNNDDPDGV-NSHDSACASA-N 1 1 267.329 0.368 50 0 CCAAMO Cc1cnc(C(=O)NCCCCN2CC[NH+](C)CC2)cn1 ZINC000041362362 348252133 /nfs/dbraw/zinc/25/21/33/348252133.db2.gz QCXPFRLCSXEJDQ-UHFFFAOYSA-N 1 1 291.399 0.542 50 0 CCAAMO O=c1cc(C[N@@H+]2CC[C@@H](CO)C2)nc2ccccn12 ZINC000051887697 348499134 /nfs/dbraw/zinc/49/91/34/348499134.db2.gz JAANDFIZXKWNOX-LLVKDONJSA-N 1 1 259.309 0.509 50 0 CCAAMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccncc1 ZINC000058265211 348624060 /nfs/dbraw/zinc/62/40/60/348624060.db2.gz GUOYOEOCFCWMNF-OLZOCXBDSA-N 1 1 261.325 0.675 50 0 CCAAMO Cc1nn(C)c(N(C)C)c1C[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC000065512404 348719214 /nfs/dbraw/zinc/71/92/14/348719214.db2.gz RVHRKUGSGMSGEY-SNVBAGLBSA-N 1 1 286.401 0.071 50 0 CCAAMO CNc1ncccc1CN1CCN2CC[N@@H+](C)C[C@@H]2C1 ZINC000065500364 348719709 /nfs/dbraw/zinc/71/97/09/348719709.db2.gz NYNNTPDIMJFSSK-CQSZACIVSA-N 1 1 275.400 0.555 50 0 CCAAMO CS(=O)(=O)N[C@H]1CCC[N@@H+](CCc2ccncc2)C1 ZINC000065611190 348723985 /nfs/dbraw/zinc/72/39/85/348723985.db2.gz RMGIDLLVLDNYDG-ZDUSSCGKSA-N 1 1 283.397 0.638 50 0 CCAAMO COC(=O)[C@@H]1C[C@@H]([NH+](C)C)CN1Cc1cnc(C)[nH]1 ZINC000065370773 348711339 /nfs/dbraw/zinc/71/13/39/348711339.db2.gz XLQPXRGQGKYJLE-NEPJUHHUSA-N 1 1 266.345 0.396 50 0 CCAAMO Cc1noc(C)c1NC(=O)N[C@H]1C[C@H]2CN(C)CC[N@H+]2C1 ZINC000067854803 348787270 /nfs/dbraw/zinc/78/72/70/348787270.db2.gz KRTQWQIRHYLNDV-RYUDHWBXSA-N 1 1 293.371 0.801 50 0 CCAAMO Cc1noc(C)c1NC(=O)N[C@H]1C[C@H]2C[N@H+](C)CCN2C1 ZINC000067854803 348787272 /nfs/dbraw/zinc/78/72/72/348787272.db2.gz KRTQWQIRHYLNDV-RYUDHWBXSA-N 1 1 293.371 0.801 50 0 CCAAMO Cc1noc(C)c1NC(=O)N[C@H]1C[C@H]2C[N@@H+](C)CCN2C1 ZINC000067854803 348787275 /nfs/dbraw/zinc/78/72/75/348787275.db2.gz KRTQWQIRHYLNDV-RYUDHWBXSA-N 1 1 293.371 0.801 50 0 CCAAMO Cc1nc(C)n(C[C@H]2CCC[N@@H+]2CCS(C)(=O)=O)n1 ZINC000069456754 348846594 /nfs/dbraw/zinc/84/65/94/348846594.db2.gz JORORUKYXFLLIP-GFCCVEGCSA-N 1 1 286.401 0.404 50 0 CCAAMO Cc1nc(C)n(C[C@H]2CCC[N@H+]2CCS(C)(=O)=O)n1 ZINC000069456754 348846596 /nfs/dbraw/zinc/84/65/96/348846596.db2.gz JORORUKYXFLLIP-GFCCVEGCSA-N 1 1 286.401 0.404 50 0 CCAAMO CCS(=O)(=O)CC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1C ZINC000069487791 348847655 /nfs/dbraw/zinc/84/76/55/348847655.db2.gz DTWRJANMRHNEPF-NEPJUHHUSA-N 1 1 288.413 0.506 50 0 CCAAMO CCS(=O)(=O)CC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1C ZINC000069487791 348847657 /nfs/dbraw/zinc/84/76/57/348847657.db2.gz DTWRJANMRHNEPF-NEPJUHHUSA-N 1 1 288.413 0.506 50 0 CCAAMO CC(C)[N@H+]1CC[C@@H](NC(=O)NC[C@@H]2CCCO2)C1 ZINC000069203614 348836521 /nfs/dbraw/zinc/83/65/21/348836521.db2.gz LTSGIXRJTRXFNV-NEPJUHHUSA-N 1 1 255.362 0.947 50 0 CCAAMO OCC[NH+]1CCN(Cc2noc(-c3cccs3)n2)CC1 ZINC000069339158 348842082 /nfs/dbraw/zinc/84/20/82/348842082.db2.gz QWMWTSRLLZUGDM-UHFFFAOYSA-N 1 1 294.380 0.908 50 0 CCAAMO CCOCC[NH+]1CCN(Cc2nnc(C3CC3)n2C)CC1 ZINC000069627349 348855154 /nfs/dbraw/zinc/85/51/54/348855154.db2.gz GIZDXZIEMRJRCD-UHFFFAOYSA-N 1 1 293.415 0.847 50 0 CCAAMO CCOC[C@@H](O)C[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000069739923 348859706 /nfs/dbraw/zinc/85/97/06/348859706.db2.gz RQZIVJVETJUZST-ZDUSSCGKSA-N 1 1 270.373 0.328 50 0 CCAAMO CCn1cc(NC(=O)NCC[N@@H+](C)CCOC)cn1 ZINC000069844672 348863452 /nfs/dbraw/zinc/86/34/52/348863452.db2.gz YURCAVXCHLMLHQ-UHFFFAOYSA-N 1 1 269.349 0.603 50 0 CCAAMO CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(N)cc2)C1 ZINC000071772318 348911153 /nfs/dbraw/zinc/91/11/53/348911153.db2.gz RNPUWTUMEVDGPM-STQMWFEESA-N 1 1 263.341 0.406 50 0 CCAAMO Cc1cc(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)no1 ZINC000072269046 348918156 /nfs/dbraw/zinc/91/81/56/348918156.db2.gz LUFYEBHJXBSILK-CHWSQXEVSA-N 1 1 279.340 0.654 50 0 CCAAMO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1[C@@H]1CCOC1=O ZINC000072268584 348918232 /nfs/dbraw/zinc/91/82/32/348918232.db2.gz UHFZBOGYRJVTEI-JHJVBQTASA-N 1 1 266.341 0.777 50 0 CCAAMO 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50 0 CCAAMO CC(C)CC[N@H+]1CCN2C(=O)[C@@H]3CSCN3C(=O)[C@H]2C1 ZINC000014741925 397374160 /nfs/dbraw/zinc/37/41/60/397374160.db2.gz AWQAELAGGBXCEC-NEPJUHHUSA-N 1 1 297.424 0.460 50 0 CCAAMO CN1CC(=O)N2CC[N@@H+](CC3CCCCC3)C[C@@H]2C1=O ZINC000014540230 397374353 /nfs/dbraw/zinc/37/43/53/397374353.db2.gz PBSKGNLMBSNXDK-CYBMUJFWSA-N 1 1 279.384 0.552 50 0 CCAAMO NC(=O)C1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000004725139 170006054 /nfs/dbraw/zinc/00/60/54/170006054.db2.gz FVRHZDQLLWRMRP-UHFFFAOYSA-N 1 1 261.325 0.822 50 0 CCAAMO CC[N@H+]1CCC[C@](O)(CN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000046087898 411639722 /nfs/dbraw/zinc/63/97/22/411639722.db2.gz MUSALSZMBZNHGT-HZSPNIEDSA-N 1 1 256.390 0.942 50 0 CCAAMO COCCOCC(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000047637604 411648949 /nfs/dbraw/zinc/64/89/49/411648949.db2.gz IGRYZKCDXWKFRO-RWMBFGLXSA-N 1 1 288.388 0.263 50 0 CCAAMO COCCOCC(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000047637604 411648954 /nfs/dbraw/zinc/64/89/54/411648954.db2.gz 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/nfs/dbraw/zinc/29/31/41/174293141.db2.gz UNYKVKWETQAJNA-UHFFFAOYSA-N 1 1 276.340 0.070 50 0 CCAAMO Cc1nn(C)c2cnn([C@H](C)C(=O)N3CC[NH+](C)CC3)c12 ZINC000040714968 174382335 /nfs/dbraw/zinc/38/23/35/174382335.db2.gz LKRZEZBXEILJTA-LLVKDONJSA-N 1 1 290.371 0.413 50 0 CCAAMO O=C(CCc1ccccc1F)N1CC[NH+](CCO)CC1 ZINC000041435677 174552224 /nfs/dbraw/zinc/55/22/24/174552224.db2.gz ZLSFFDCJGRFOFJ-UHFFFAOYSA-N 1 1 280.343 0.895 50 0 CCAAMO CC(C)c1noc([C@@H](C)N2CC[NH+](CCO)CC2)n1 ZINC000044583997 175210684 /nfs/dbraw/zinc/21/06/84/175210684.db2.gz CGKQOZJUMYWLNY-LLVKDONJSA-N 1 1 268.361 0.864 50 0 CCAAMO C[N@@H+](CC(=O)N[C@@H]1CCCCNC1=O)C1CCCC1 ZINC000046054733 175391464 /nfs/dbraw/zinc/39/14/64/175391464.db2.gz PHEJGQJPINXQLA-GFCCVEGCSA-N 1 1 267.373 0.646 50 0 CCAAMO Cc1ncsc1C(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC000046574769 175397988 /nfs/dbraw/zinc/39/79/88/175397988.db2.gz CLQYIXBKOICBPN-UHFFFAOYSA-N 1 1 282.369 0.131 50 0 CCAAMO Cc1c(C(=O)NC[C@H](C)[NH+]2C[C@@H](C)O[C@H](C)C2)cnn1C 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COCC[N@H+]1CCN(Cc2noc(C)n2)C[C@H]1C ZINC000071864772 176281033 /nfs/dbraw/zinc/28/10/33/176281033.db2.gz RCBHQXZUMXAAKI-SNVBAGLBSA-N 1 1 254.334 0.531 50 0 CCAAMO Cc1cnn(CCC(=O)N2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000071871342 176283325 /nfs/dbraw/zinc/28/33/25/176283325.db2.gz JMUXPBDBHQLQLW-CYBMUJFWSA-N 1 1 280.372 0.107 50 0 CCAAMO CS(=O)(=O)CCC[N@@H+]1CCC[C@@H]1Cn1cncn1 ZINC000071875185 176285204 /nfs/dbraw/zinc/28/52/04/176285204.db2.gz CUPGDLOHDVVUTA-LLVKDONJSA-N 1 1 272.374 0.177 50 0 CCAAMO CS(=O)(=O)CCC[N@H+]1CCC[C@@H]1Cn1cncn1 ZINC000071875185 176285206 /nfs/dbraw/zinc/28/52/06/176285206.db2.gz CUPGDLOHDVVUTA-LLVKDONJSA-N 1 1 272.374 0.177 50 0 CCAAMO Cc1snnc1C(=O)NCCC[NH+]1CCOCC1 ZINC000072239939 176348105 /nfs/dbraw/zinc/34/81/05/176348105.db2.gz YHUTXCBYOMKIQB-UHFFFAOYSA-N 1 1 270.358 0.299 50 0 CCAAMO O=S(=O)(c1cccnc1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000072277734 176356682 /nfs/dbraw/zinc/35/66/82/176356682.db2.gz WNRRPVVCAFOOAR-LLVKDONJSA-N 1 1 267.354 0.550 50 0 CCAAMO COCC[C@@H](C)NC(=O)NC[C@H](c1cnn(C)c1)[NH+](C)C ZINC000072287717 176360279 /nfs/dbraw/zinc/36/02/79/176360279.db2.gz FMTBKWVHEAXQAR-DGCLKSJQSA-N 1 1 297.403 0.747 50 0 CCAAMO O[C@H](CN1CCOCC1)C[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000076513280 177030833 /nfs/dbraw/zinc/03/08/33/177030833.db2.gz PWEIYXUINFLSIJ-ILXRZTDVSA-N 1 1 284.400 0.323 50 0 CCAAMO Cc1nn(C)c(C)c1C[NH2+][C@H]1CS(=O)(=O)C1(C)C ZINC000685943235 545870213 /nfs/dbraw/zinc/87/02/13/545870213.db2.gz GNXPGANSXVHYJU-NSHDSACASA-N 1 1 271.386 0.702 50 0 CCAAMO CC(C)C[N@H+]1CC[C@@H](C(=O)N2CCNC(=O)[C@H]2C)C1 ZINC000089919855 544517740 /nfs/dbraw/zinc/51/77/40/544517740.db2.gz QRRHDYBAQNQLGN-VXGBXAGGSA-N 1 1 267.373 0.311 50 0 CCAAMO Cn1c(=O)cnc2ccc(N3CC[NH+](C)CC3)nc21 ZINC000064553574 273900150 /nfs/dbraw/zinc/90/01/50/273900150.db2.gz BSCSTMWOGBRCSK-UHFFFAOYSA-N 1 1 259.313 0.080 50 0 CCAAMO C[C@@H](C(N)=O)[N@H+]1CCCN(c2nc3ccccc3[nH]2)CC1 ZINC000068453492 274205336 /nfs/dbraw/zinc/20/53/36/274205336.db2.gz GGXKDZCOGHVBIN-NSHDSACASA-N 1 1 287.367 0.949 50 0 CCAAMO CC[N@@H+](CCNC(=O)N1CCN(C2CC2)CC1)C1CC1 ZINC000089969202 276126207 /nfs/dbraw/zinc/12/62/07/276126207.db2.gz OMNNCVGGLDJNKD-UHFFFAOYSA-N 1 1 280.416 0.960 50 0 CCAAMO CN1CC(=O)N2CC[N@H+](C3Cc4ccccc4C3)C[C@@H]2C1=O ZINC000065407236 277022444 /nfs/dbraw/zinc/02/24/44/277022444.db2.gz PELTVRVRQDYYDG-OAHLLOKOSA-N 1 1 299.374 0.139 50 0 CCAAMO C[C@@H](C[N@H+]1CCCN(c2ncccn2)CC1)n1cncn1 ZINC000019850268 278255883 /nfs/dbraw/zinc/25/58/83/278255883.db2.gz KTIKXKGMXSHSNF-ZDUSSCGKSA-N 1 1 287.371 0.841 50 0 CCAAMO C[C@H](O)C[N@H+]1CCN(CCC(=O)N2CCCCC2)C[C@@H]1C ZINC000106868134 278294965 /nfs/dbraw/zinc/29/49/65/278294965.db2.gz GLMAICMRZJPMNM-GJZGRUSLSA-N 1 1 297.443 0.776 50 0 CCAAMO C[C@H](O)CN1CC[N@H+](CCC(=O)N2CCCCC2)C[C@@H]1C ZINC000106868134 278294966 /nfs/dbraw/zinc/29/49/66/278294966.db2.gz GLMAICMRZJPMNM-GJZGRUSLSA-N 1 1 297.443 0.776 50 0 CCAAMO C[C@H](O)CN1CC[N@@H+](CCC(=O)N2CCCCC2)C[C@@H]1C ZINC000106868134 278294967 /nfs/dbraw/zinc/29/49/67/278294967.db2.gz GLMAICMRZJPMNM-GJZGRUSLSA-N 1 1 297.443 0.776 50 0 CCAAMO C[C@@H]1CN(C(=O)c2ccc3c(c2)CC[NH2+]CC3)CCN1 ZINC000295080421 288038357 /nfs/dbraw/zinc/03/83/57/288038357.db2.gz RZTMTFOZNBFECI-GFCCVEGCSA-N 1 1 273.380 0.809 50 0 CCAAMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)[C@@H]1CCOC1 ZINC000072287951 288306213 /nfs/dbraw/zinc/30/62/13/288306213.db2.gz NWWYUNJORDPPAO-IJLUTSLNSA-N 1 1 274.386 0.274 50 0 CCAAMO NC(=O)CC[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000000486175 303245355 /nfs/dbraw/zinc/24/53/55/303245355.db2.gz UVIFFDSUQKBWQX-WDEREUQCSA-N 1 1 261.325 0.143 50 0 biogenic CCAAMO CNc1nc(NCC[C@@H]2CCC[N@@H+](C)C2)ncc1F ZINC000534583453 328312930 /nfs/dbraw/zinc/31/29/30/328312930.db2.gz WULYZQAYEFYUEI-JTQLQIEISA-N 1 1 267.352 0.645 50 0 CCAAMO CC[N@H+]1C[C@H](NC(=O)c2c(Cl)cnn2C)[C@@H](OC)C1 ZINC000534589056 328317036 /nfs/dbraw/zinc/31/70/36/328317036.db2.gz OCIODAMTUQWHII-UWVGGRQHSA-N 1 1 286.763 0.522 50 0 CCAAMO C[C@H](CCNC(=O)c1cncnc1)N1CC[NH+](C)CC1 ZINC000534636587 328333917 /nfs/dbraw/zinc/33/39/17/328333917.db2.gz LIMGNYCBCSQVKP-GFCCVEGCSA-N 1 1 277.372 0.232 50 0 CCAAMO C[C@H](CCNC(=O)Cc1ccncc1)N1CC[NH+](C)CC1 ZINC000534660529 328339507 /nfs/dbraw/zinc/33/95/07/328339507.db2.gz XJRTYLCQOVLMOX-CQSZACIVSA-N 1 1 290.411 0.766 50 0 CCAAMO CCS(=O)(=O)NC[C@H](C)[NH2+]Cc1nccn1C(C)C ZINC000534662605 328350332 /nfs/dbraw/zinc/35/03/32/328350332.db2.gz MLLXFEAUJQLADX-NSHDSACASA-N 1 1 288.417 0.881 50 0 CCAAMO CC(=O)c1cccc(OC[C@H](O)C[N@@H+](C)CCO)c1 ZINC000068048419 518453634 /nfs/dbraw/zinc/45/36/34/518453634.db2.gz LXNNBBSFDGDZCR-CYBMUJFWSA-N 1 1 267.325 0.553 50 0 CCAAMO CC[N@H+]1CCCC[C@@H]1CNc1nc(C)nc(N)n1 ZINC000585092903 545102507 /nfs/dbraw/zinc/10/25/07/545102507.db2.gz TTWFSENPNOASGH-SNVBAGLBSA-N 1 1 250.350 0.301 50 0 CCAAMO CC[N@H+](CC(N)=O)Cc1cccc(C(=O)N(C)C)c1 ZINC000191699393 527981133 /nfs/dbraw/zinc/98/11/33/527981133.db2.gz MRDJYWVBGPEFJD-UHFFFAOYSA-N 1 1 263.341 0.696 50 0 CCAAMO CC[N@@H+](CC(N)=O)Cc1cccc(C(=O)N(C)C)c1 ZINC000191699393 527981138 /nfs/dbraw/zinc/98/11/38/527981138.db2.gz MRDJYWVBGPEFJD-UHFFFAOYSA-N 1 1 263.341 0.696 50 0 CCAAMO O=C(Cc1cccnc1)NCC[N@@H+]1CCCC[C@@H]1CO ZINC000670440508 545235196 /nfs/dbraw/zinc/23/51/96/545235196.db2.gz QGHKJVFTZWIWFX-CQSZACIVSA-N 1 1 277.368 0.587 50 0 CCAAMO Cn1cc(CCC(=O)NCC[N@H+]2CCCC[C@@H]2CO)cn1 ZINC000670452211 545236125 /nfs/dbraw/zinc/23/61/25/545236125.db2.gz HNKJIVKNBQUMEE-CQSZACIVSA-N 1 1 294.399 0.316 50 0 CCAAMO O=C(NCC[N@@H+]1CCCC[C@@H]1CO)c1cncc(F)c1 ZINC000670453700 545236222 /nfs/dbraw/zinc/23/62/22/545236222.db2.gz AEWLHSGJKWKCTO-CYBMUJFWSA-N 1 1 281.331 0.797 50 0 CCAAMO COc1nc(NCCC[N@H+]2CCC[C@H](O)C2)ncc1F ZINC000670461658 545236663 /nfs/dbraw/zinc/23/66/63/545236663.db2.gz UHZHAXHBASKBNC-JTQLQIEISA-N 1 1 284.335 0.883 50 0 CCAAMO CC(C)[N@H+]1CCO[C@H](CC(=O)NCCc2c[nH]cn2)C1 ZINC000097805631 529055899 /nfs/dbraw/zinc/05/58/99/529055899.db2.gz LXIDGRKUERVQQX-CYBMUJFWSA-N 1 1 280.372 0.568 50 0 CCAAMO CC(C)[N@@H+]1CCO[C@H](CC(=O)NCCc2cnc[nH]2)C1 ZINC000097805631 529055907 /nfs/dbraw/zinc/05/59/07/529055907.db2.gz LXIDGRKUERVQQX-CYBMUJFWSA-N 1 1 280.372 0.568 50 0 CCAAMO CC(C)[N@H+]1CCO[C@H](CC(=O)NCCc2cnc[nH]2)C1 ZINC000097805631 529055913 /nfs/dbraw/zinc/05/59/13/529055913.db2.gz LXIDGRKUERVQQX-CYBMUJFWSA-N 1 1 280.372 0.568 50 0 CCAAMO CO[C@H]1C[C@@H](O)C12CCN(c1nc(N)cc[nH+]1)CC2 ZINC000091468243 536805495 /nfs/dbraw/zinc/80/54/95/536805495.db2.gz CPOOKFWEWXNQFG-ZJUUUORDSA-N 1 1 264.329 0.425 50 0 CCAAMO O=c1[nH]ccn1CC[N@H+]1CCC[C@H](c2cc(=O)[nH]cn2)C1 ZINC000299783071 625663139 /nfs/dbraw/zinc/66/31/39/625663139.db2.gz FDBQECOYXNRKGZ-NSHDSACASA-N 1 1 289.339 0.552 50 0 CCAAMO C[N@H+]1CC[C@]2(C1)CCCN(c1cc(NCCO)ncn1)C2 ZINC000067649384 633081282 /nfs/dbraw/zinc/08/12/82/633081282.db2.gz GSVXMKBUKWABQS-HNNXBMFYSA-N 1 1 291.399 0.803 50 0 CCAAMO Cc1ccsc1C[N@@H+]1CCN2C(=O)[C@@H](C)NC(=O)[C@H]2C1 ZINC000014532309 650401359 /nfs/dbraw/zinc/40/13/59/650401359.db2.gz PEUNNTJRFAMENM-GHMZBOCLSA-N 1 1 293.392 0.588 50 0 CCAAMO Cc1ccsc1C[N@H+]1CCN2C(=O)[C@@H](C)NC(=O)[C@H]2C1 ZINC000014532309 650401360 /nfs/dbraw/zinc/40/13/60/650401360.db2.gz PEUNNTJRFAMENM-GHMZBOCLSA-N 1 1 293.392 0.588 50 0 CCAAMO [NH3+]C[C@@H]1CCN(C[C@H](O)COc2ccccc2)C1 ZINC000864096849 645172460 /nfs/dbraw/zinc/17/24/60/645172460.db2.gz KCNMCRQKHFOQHF-STQMWFEESA-N 1 1 250.342 0.707 50 0 CCAAMO OCC[NH+]1CCN([C@H]2CCN(c3ccccc3)C2)CC1 ZINC000952972021 649614294 /nfs/dbraw/zinc/61/42/94/649614294.db2.gz ZAQPENGJQYSKTM-INIZCTEOSA-N 1 1 275.396 0.875 50 0 CCAAMO Cc1ccc(NC(=O)[C@H](C)O)cc1NC(=O)C[NH+](C)C ZINC000952982211 649614766 /nfs/dbraw/zinc/61/47/66/649614766.db2.gz YDEMXFMOUZVINQ-JTQLQIEISA-N 1 1 279.340 0.814 50 0 CCAAMO CC1(C)[C@H](NCCN2CCCC2=O)[C@H]2CCC[NH2+][C@H]21 ZINC000693665740 791673964 /nfs/dbraw/zinc/67/39/64/791673964.db2.gz GAMLYKLRAHUBKM-IACUBPJLSA-N 1 1 265.401 0.975 50 0 CCAAMO C[N@H+]1C[C@@H]2[C@H](NC(=O)c3ccc(C(N)=O)cc3)[C@@H]2C1 ZINC000585080860 812621546 /nfs/dbraw/zinc/62/15/46/812621546.db2.gz XCNPIDUKPXJXTA-ZSBIGDGJSA-N 1 1 259.309 0.075 50 0 CCAAMO C[NH+](C)[C@@H]1CCCN(C(=O)NCc2nnc[nH]2)CC1 ZINC000426621580 812929170 /nfs/dbraw/zinc/92/91/70/812929170.db2.gz HYPMNHDIPZRLBW-SNVBAGLBSA-N 1 1 266.349 0.430 50 0 CCAAMO CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H](c1cc(C)c(C)o1)NC2(CO)CO ZINC000199368383 814434210 /nfs/dbraw/zinc/43/42/10/814434210.db2.gz SWJUCFFIPAUNCH-IPYPFGDCSA-N 1 1 294.395 0.832 50 0 CCAAMO CCN1C[C@H]2[C@@H](C1)[C@@H](c1cc(C)c(C)o1)[NH2+]C2(CO)CO ZINC000199368383 814434214 /nfs/dbraw/zinc/43/42/14/814434214.db2.gz SWJUCFFIPAUNCH-IPYPFGDCSA-N 1 1 294.395 0.832 50 0 CCAAMO CC[C@@H](C(=O)NCCN1CCCC1=O)[N@@H+](C)CC ZINC000822555083 821488828 /nfs/dbraw/zinc/48/88/28/821488828.db2.gz NHXKPWHHISNKOK-NSHDSACASA-N 1 1 255.362 0.455 50 0 CCAAMO CCCCS(=O)(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1OC ZINC000822880499 821498402 /nfs/dbraw/zinc/49/84/02/821498402.db2.gz WLOKQVDNJPBWGQ-RYUDHWBXSA-N 1 1 278.418 0.814 50 0 CCAAMO COCC[N@H+]1CC[C@@H](CN(C)c2cnccn2)C1 ZINC000824412384 821630387 /nfs/dbraw/zinc/63/03/87/821630387.db2.gz LFIJNULYDWICCE-LBPRGKRZSA-N 1 1 250.346 0.881 50 0 CCAAMO COCC[N@H+]1CC[C@@H](CNC(=O)c2cccc(=O)[nH]2)C1 ZINC000824412491 821630435 /nfs/dbraw/zinc/63/04/35/821630435.db2.gz YCMSGSZTTIMTNC-NSHDSACASA-N 1 1 279.340 0.485 50 0 CCAAMO O=C(NCC1CC[NH+](Cc2ncc[nH]2)CC1)[C@@H]1CCOC1 ZINC000827778522 821693165 /nfs/dbraw/zinc/69/31/65/821693165.db2.gz FMEONKAPBCCFKB-CYBMUJFWSA-N 1 1 292.383 0.774 50 0 CCAAMO CN(C)S(=O)(=O)CCC[N@@H+](C)CC1(CO)CCC1 ZINC000828686004 821803674 /nfs/dbraw/zinc/80/36/74/821803674.db2.gz UFAPFIWKRANPOG-UHFFFAOYSA-N 1 1 278.418 0.362 50 0 CCAAMO O=C(N[C@@H]1C[N@H+](CC2CC2)CC[C@@H]1CO)c1cccnc1 ZINC000581799352 822278907 /nfs/dbraw/zinc/27/89/07/822278907.db2.gz RKEGHUHWSUKEFX-HUUCEWRRSA-N 1 1 289.379 0.904 50 0 CCAAMO CCC1C[NH+](CC(=O)NC2(CO)CCSCC2)C1 ZINC000585122103 839609566 /nfs/dbraw/zinc/60/95/66/839609566.db2.gz NSVPPGOZBFGPHQ-UHFFFAOYSA-N 1 1 272.414 0.703 50 0 CCAAMO CO[C@H]1C[N@@H+](C)C[C@@H]1NC(=O)Cc1ccsc1 ZINC000222799831 230398668 /nfs/dbraw/zinc/39/86/68/230398668.db2.gz ZMLFSKMENPEGOQ-QWRGUYRKSA-N 1 1 254.355 0.736 50 0 CCAAMO COCc1noc(C[NH2+][C@@H]2CCCC[C@@H]2CO)n1 ZINC000124848328 187158253 /nfs/dbraw/zinc/15/82/53/187158253.db2.gz SRENMDNWPYTWEZ-NXEZZACHSA-N 1 1 255.318 0.857 50 0 CCAAMO Cc1nn(C)c2nc(NC[C@@H]3CN(C)CC[N@@H+]3C)sc12 ZINC000096142143 185106567 /nfs/dbraw/zinc/10/65/67/185106567.db2.gz ZQZVMPFTEBGNLU-SNVBAGLBSA-N 1 1 294.428 0.996 50 0 CCAAMO Cc1nn(C)c2nc(NC[C@@H]3CN(C)CC[N@H+]3C)sc12 ZINC000096142143 185106569 /nfs/dbraw/zinc/10/65/69/185106569.db2.gz ZQZVMPFTEBGNLU-SNVBAGLBSA-N 1 1 294.428 0.996 50 0 CCAAMO Cc1nn(C)c2nc(NC[C@@H]3C[N@H+](C)CCN3C)sc12 ZINC000096142143 185106570 /nfs/dbraw/zinc/10/65/70/185106570.db2.gz ZQZVMPFTEBGNLU-SNVBAGLBSA-N 1 1 294.428 0.996 50 0 CCAAMO Cc1nn(C)c2nc(NC[C@@H]3C[N@@H+](C)CCN3C)sc12 ZINC000096142143 185106572 /nfs/dbraw/zinc/10/65/72/185106572.db2.gz ZQZVMPFTEBGNLU-SNVBAGLBSA-N 1 1 294.428 0.996 50 0 CCAAMO CC[N@H+]1CCC[C@@](C)(C(=O)NCCCn2cnnc2)C1 ZINC000095355967 349602283 /nfs/dbraw/zinc/60/22/83/349602283.db2.gz OXLWJCSYRBHALQ-CQSZACIVSA-N 1 1 279.388 0.906 50 0 CCAAMO CN(C)c1nc(NCC[N@H+]2CCC[C@@H](CO)C2)ncc1F ZINC000095374332 349604098 /nfs/dbraw/zinc/60/40/98/349604098.db2.gz GUHDCONDVDADER-LLVKDONJSA-N 1 1 297.378 0.798 50 0 CCAAMO Cc1nnc(CCNC(=O)CC[C@@H]2CCC[N@H+](C)C2)[nH]1 ZINC000095369775 349604387 /nfs/dbraw/zinc/60/43/87/349604387.db2.gz SRNIVCCVEIGPAJ-LBPRGKRZSA-N 1 1 279.388 0.894 50 0 CCAAMO Cc1n[nH]c(CCNC(=O)CC[C@@H]2CCC[N@@H+](C)C2)n1 ZINC000095369775 349604392 /nfs/dbraw/zinc/60/43/92/349604392.db2.gz SRNIVCCVEIGPAJ-LBPRGKRZSA-N 1 1 279.388 0.894 50 0 CCAAMO Cc1n[nH]c(CCNC(=O)CC[C@@H]2CCC[N@H+](C)C2)n1 ZINC000095369775 349604398 /nfs/dbraw/zinc/60/43/98/349604398.db2.gz SRNIVCCVEIGPAJ-LBPRGKRZSA-N 1 1 279.388 0.894 50 0 CCAAMO CCOCC[N@H+]1CCC[C@H](S(=O)(=O)NC)C1 ZINC000095400892 349607939 /nfs/dbraw/zinc/60/79/39/349607939.db2.gz LTZQNXTZQPHFIP-JTQLQIEISA-N 1 1 250.364 0.037 50 0 CCAAMO C[C@@H]1C[C@H]1C(=O)N1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000096416569 349618896 /nfs/dbraw/zinc/61/88/96/349618896.db2.gz HFXDRVLHXNLRTC-VXGBXAGGSA-N 1 1 289.383 0.847 50 0 CCAAMO O=C(N[C@@H]1CCC[C@@H]1O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000097104364 349628020 /nfs/dbraw/zinc/62/80/20/349628020.db2.gz JDQIOTPXDDRGOL-RDBSUJKOSA-N 1 1 282.384 0.659 50 0 CCAAMO Cn1cccc1[C@H]1COCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000097162824 349630948 /nfs/dbraw/zinc/63/09/48/349630948.db2.gz OIPKCLXNKKYWII-ZIAGYGMSSA-N 1 1 293.367 0.256 50 0 CCAAMO Cn1cccc1[C@H]1COCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000097162824 349630952 /nfs/dbraw/zinc/63/09/52/349630952.db2.gz OIPKCLXNKKYWII-ZIAGYGMSSA-N 1 1 293.367 0.256 50 0 CCAAMO O=C(CCc1ccncc1)NCC[N@@H+]1CCCC[C@@H]1CO ZINC000097394422 349639554 /nfs/dbraw/zinc/63/95/54/349639554.db2.gz IDHXFGFKBDBTMH-OAHLLOKOSA-N 1 1 291.395 0.977 50 0 CCAAMO O=C(CCc1ccncc1)NCC[N@@H+]1CCCC[C@H]1CO ZINC000097394425 349640176 /nfs/dbraw/zinc/64/01/76/349640176.db2.gz IDHXFGFKBDBTMH-HNNXBMFYSA-N 1 1 291.395 0.977 50 0 CCAAMO C[NH+](C)C[C@@H]1[C@H]2C[N@H+](Cc3cnn(CCC(=O)[O-])c3)C[C@H]21 ZINC000102145275 349675800 /nfs/dbraw/zinc/67/58/00/349675800.db2.gz ILPYNAPQHFTOSP-ZSOGYDGISA-N 1 1 292.383 0.597 50 0 CCAAMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cnccc1N ZINC000128138131 187353796 /nfs/dbraw/zinc/35/37/96/187353796.db2.gz KUDNTFRVEMTLIV-GHMZBOCLSA-N 1 1 260.341 0.973 50 0 CCAAMO Cc1nn(C(C)C)cc1C[N@@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000253432013 352535813 /nfs/dbraw/zinc/53/58/13/352535813.db2.gz WBMJXBLWTWODAB-KBPBESRZSA-N 1 1 292.383 0.862 50 0 CCAAMO Cc1nn(C(C)C)cc1C[N@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000253432013 352535815 /nfs/dbraw/zinc/53/58/15/352535815.db2.gz WBMJXBLWTWODAB-KBPBESRZSA-N 1 1 292.383 0.862 50 0 CCAAMO O=c1nncc(Nc2ccc(C[NH+]3CCOCC3)cc2)[nH]1 ZINC000019795447 348070142 /nfs/dbraw/zinc/07/01/42/348070142.db2.gz OPVWZMPXPCXPNK-UHFFFAOYSA-N 1 1 287.323 0.741 50 0 CCAAMO CCCNc1nc(N2CC[NH+](C)CC2)nc2c1cnn2C ZINC000021929717 348079793 /nfs/dbraw/zinc/07/97/93/348079793.db2.gz VYGRYFPNXGOGSS-UHFFFAOYSA-N 1 1 289.387 0.937 50 0 CCAAMO C[NH+]1CCN(Cc2nc(N)nc(N3CCCCC3)n2)CC1 ZINC000020414451 348078040 /nfs/dbraw/zinc/07/80/40/348078040.db2.gz WVOFKCSIJHHMBM-UHFFFAOYSA-N 1 1 291.403 0.192 50 0 CCAAMO COc1cccc(C(=O)N2CC[NH+](CCCO)CC2)c1 ZINC000032761099 348138158 /nfs/dbraw/zinc/13/81/58/348138158.db2.gz WEZLLRJBGBFLFO-UHFFFAOYSA-N 1 1 278.352 0.835 50 0 CCAAMO [NH3+]Cc1noc(C(=O)N2CCc3ccccc3C2)n1 ZINC000034924896 348152006 /nfs/dbraw/zinc/15/20/06/348152006.db2.gz PHMLZDLAZKOQFM-UHFFFAOYSA-N 1 1 258.281 0.727 50 0 CCAAMO Cc1cc(=O)n(CC[N@@H+](C)[C@H](C)c2ccncn2)c(=O)[nH]1 ZINC000253537312 352537476 /nfs/dbraw/zinc/53/74/76/352537476.db2.gz LWKXKDBNRUQROI-LLVKDONJSA-N 1 1 289.339 0.740 50 0 CCAAMO Cc1cc(=O)n(CC[N@H+](C)[C@H](C)c2ccncn2)c(=O)[nH]1 ZINC000253537312 352537478 /nfs/dbraw/zinc/53/74/78/352537478.db2.gz LWKXKDBNRUQROI-LLVKDONJSA-N 1 1 289.339 0.740 50 0 CCAAMO Cc1cc(=O)n(CC[N@H+]2CCCO[C@H](C)C2)c(=O)[nH]1 ZINC000253536753 352537536 /nfs/dbraw/zinc/53/75/36/352537536.db2.gz NFNRPFNNDDPDGV-LLVKDONJSA-N 1 1 267.329 0.368 50 0 CCAAMO COc1cccc(C[N@H+](C)CC(=O)N2CCOCC2)c1 ZINC000042976378 348303223 /nfs/dbraw/zinc/30/32/23/348303223.db2.gz RCPXOBRMKWMHJO-UHFFFAOYSA-N 1 1 278.352 0.986 50 0 CCAAMO COc1cccc(C[N@@H+](C)CC(=O)N2CCOCC2)c1 ZINC000042976378 348303226 /nfs/dbraw/zinc/30/32/26/348303226.db2.gz RCPXOBRMKWMHJO-UHFFFAOYSA-N 1 1 278.352 0.986 50 0 CCAAMO CNC(=O)NC(=O)[C@H](c1ccccc1)[N@@H+]1CCC[C@H](O)C1 ZINC000057406299 348608800 /nfs/dbraw/zinc/60/88/00/348608800.db2.gz HOZOACZUEZTPNI-STQMWFEESA-N 1 1 291.351 0.640 50 0 CCAAMO CNC(=O)NC(=O)[C@H](c1ccccc1)[N@H+]1CCC[C@H](O)C1 ZINC000057406299 348608802 /nfs/dbraw/zinc/60/88/02/348608802.db2.gz HOZOACZUEZTPNI-STQMWFEESA-N 1 1 291.351 0.640 50 0 CCAAMO CC(C)c1cc(C(=O)N[C@@H]2C[C@@H](CO)[N@@H+](C)C2)on1 ZINC000065396748 348713525 /nfs/dbraw/zinc/71/35/25/348713525.db2.gz UOBSZPXLHWFCBA-ZJUUUORDSA-N 1 1 267.329 0.593 50 0 CCAAMO CNC(=O)NC(=O)CC[N@@H+]1CCn2c(C)c(C)nc2C1 ZINC000065466448 348717310 /nfs/dbraw/zinc/71/73/10/348717310.db2.gz KEEKZFCXXVPZCX-UHFFFAOYSA-N 1 1 279.344 0.161 50 0 CCAAMO CNC(=O)NC(=O)CC[N@H+]1CCn2c(C)c(C)nc2C1 ZINC000065466448 348717312 /nfs/dbraw/zinc/71/73/12/348717312.db2.gz KEEKZFCXXVPZCX-UHFFFAOYSA-N 1 1 279.344 0.161 50 0 CCAAMO Cc1cc(NC(=O)[C@@H](C)N2CC[NH+](C[C@@H](C)O)CC2)on1 ZINC000065493760 348719642 /nfs/dbraw/zinc/71/96/42/348719642.db2.gz VVSKYRCDRQFMTA-VXGBXAGGSA-N 1 1 296.371 0.308 50 0 CCAAMO O[C@H](Cn1nnc(-c2ccccc2)n1)C[NH+]1CCOCC1 ZINC000065590911 348723220 /nfs/dbraw/zinc/72/32/20/348723220.db2.gz DVPGJFKZBWFIMC-ZDUSSCGKSA-N 1 1 289.339 0.033 50 0 CCAAMO C[N@@H+]1CCO[C@@H](CCNC(=O)Cc2cccnc2)C1 ZINC000067965753 348792487 /nfs/dbraw/zinc/79/24/87/348792487.db2.gz SZFQZTYBUBZGIZ-ZDUSSCGKSA-N 1 1 263.341 0.461 50 0 CCAAMO C[N@H+]1CCO[C@@H](CCNC(=O)Cc2cccnc2)C1 ZINC000067965753 348792490 /nfs/dbraw/zinc/79/24/90/348792490.db2.gz SZFQZTYBUBZGIZ-ZDUSSCGKSA-N 1 1 263.341 0.461 50 0 CCAAMO CC(C)NC(=O)NC[C@H]1CC[N@@H+](Cc2cnc(N)nc2)C1 ZINC000067982616 348793141 /nfs/dbraw/zinc/79/31/41/348793141.db2.gz VSNJWUZDFZEIBA-LLVKDONJSA-N 1 1 292.387 0.588 50 0 CCAAMO O=C1CCCN1CCC[N@@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000069392347 348843555 /nfs/dbraw/zinc/84/35/55/348843555.db2.gz KPYKGLZJAIEECL-AWEZNQCLSA-N 1 1 292.383 0.596 50 0 CCAAMO O=C1CCCN1CCC[N@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000069392347 348843558 /nfs/dbraw/zinc/84/35/58/348843558.db2.gz KPYKGLZJAIEECL-AWEZNQCLSA-N 1 1 292.383 0.596 50 0 CCAAMO CCN(CC)S(=O)(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000069418995 348845002 /nfs/dbraw/zinc/84/50/02/348845002.db2.gz JNVLCGFMXIZIFK-GFCCVEGCSA-N 1 1 277.434 0.895 50 0 CCAAMO c1nc2n(n1)C[C@@H]([NH2+]Cc1cn(-c3ccccc3)nn1)CC2 ZINC000069661141 348857250 /nfs/dbraw/zinc/85/72/50/348857250.db2.gz FNWAPGGWRPEWRF-LBPRGKRZSA-N 1 1 295.350 0.963 50 0 CCAAMO O=C1OCC[C@@H]1N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 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CN1CCN(C2CC[NH+](CC(=O)N3CCCC3)CC2)C1=O ZINC000075132949 349024327 /nfs/dbraw/zinc/02/43/27/349024327.db2.gz UVOMFYNMNYWUNC-UHFFFAOYSA-N 1 1 294.399 0.441 50 0 CCAAMO C[C@@H]1CN(C(=O)C2=COCC2)C[C@@H]1[NH+]1CCOCC1 ZINC000076056107 349066188 /nfs/dbraw/zinc/06/61/88/349066188.db2.gz NPDWNYOZIAZJQU-YPMHNXCESA-N 1 1 266.341 0.470 50 0 CCAAMO CN1C(=O)N[C@](C)([C@H]2CCC[N@@H+](C[C@@H]3CCOC3)C2)C1=O ZINC000076059026 349067558 /nfs/dbraw/zinc/06/75/58/349067558.db2.gz JSSKWEWUYMVJIB-SLEUVZQESA-N 1 1 295.383 0.675 50 0 CCAAMO CC[N@H+]1C[C@H](C)[C@H](NS(=O)(=O)C[C@@H]2CCCO2)C1 ZINC000078899138 349159136 /nfs/dbraw/zinc/15/91/36/349159136.db2.gz IYGRRVGCYPPUMH-SDDRHHMPSA-N 1 1 276.402 0.425 50 0 CCAAMO CCN1CC[NH+](CCCNC(=O)c2ccnn2C)CC1 ZINC000082267699 349294287 /nfs/dbraw/zinc/29/42/87/349294287.db2.gz MXYDQHNIYPSKHU-UHFFFAOYSA-N 1 1 279.388 0.178 50 0 CCAAMO CN(CCOc1ccccc1F)C(=O)[C@@H]1COCC[NH2+]1 ZINC000088370486 349362922 /nfs/dbraw/zinc/36/29/22/349362922.db2.gz IGAOALDHIFFREI-LBPRGKRZSA-N 1 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C[NH+](C)Cc1cccc(C(=O)NCCCc2nn[nH]n2)c1 ZINC000426392741 389664522 /nfs/dbraw/zinc/66/45/22/389664522.db2.gz HNXYZWINYLRNCC-UHFFFAOYSA-N 1 1 288.355 0.624 50 0 CCAAMO CC(C)n1ccc(C(=O)NC[C@H]2COCC[N@@H+](C)C2)n1 ZINC000426502822 389669781 /nfs/dbraw/zinc/66/97/81/389669781.db2.gz BSGAPCCELCAEFS-GFCCVEGCSA-N 1 1 280.372 0.772 50 0 CCAAMO CC(C)[N@H+]1CCC[C@H](C(=O)NCCn2ccnn2)C1 ZINC000426504640 389670282 /nfs/dbraw/zinc/67/02/82/389670282.db2.gz SGTIRWNXLYRSJD-LBPRGKRZSA-N 1 1 265.361 0.515 50 0 CCAAMO CC(C)n1ccc(C(=O)NC[C@@H]2COCC[N@@H+](C)C2)n1 ZINC000426502823 389670319 /nfs/dbraw/zinc/67/03/19/389670319.db2.gz BSGAPCCELCAEFS-LBPRGKRZSA-N 1 1 280.372 0.772 50 0 CCAAMO CCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](n2ccnn2)C1 ZINC000585116356 390357744 /nfs/dbraw/zinc/35/77/44/390357744.db2.gz RWESBVIDVDTFGZ-NEPJUHHUSA-N 1 1 265.361 0.830 50 0 CCAAMO CCCCNC(=O)[C@@H](C)[N@H+]1CC[C@H](n2ccnn2)C1 ZINC000585116356 390357748 /nfs/dbraw/zinc/35/77/48/390357748.db2.gz RWESBVIDVDTFGZ-NEPJUHHUSA-N 1 1 265.361 0.830 50 0 CCAAMO CN(C)c1nc(NC[C@H](CO)[C@H]2CCOC2)cc[nH+]1 ZINC000571349490 390732119 /nfs/dbraw/zinc/73/21/19/390732119.db2.gz YFYDIJYFMDEOOU-WDEREUQCSA-N 1 1 266.345 0.021 50 0 CCAAMO Cc1cnn(CC[N@H+]2CCC[C@H](n3cc(CO)nn3)C2)c1 ZINC000549832558 286101088 /nfs/dbraw/zinc/10/10/88/286101088.db2.gz JCYRYAQRBJVQKY-AWEZNQCLSA-N 1 1 290.371 0.612 50 0 CCAAMO Cc1ccc(C)c([C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C(N)=O)C2)c1 ZINC000108106672 411700192 /nfs/dbraw/zinc/70/01/92/411700192.db2.gz DTOMTTULZRAEOO-VHDGCEQUSA-N 1 1 292.379 0.911 50 0 CCAAMO Cc1ccc(C)c([C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C(N)=O)C2)c1 ZINC000108106672 411700197 /nfs/dbraw/zinc/70/01/97/411700197.db2.gz DTOMTTULZRAEOO-VHDGCEQUSA-N 1 1 292.379 0.911 50 0 CCAAMO C[C@H](C[N@H+]1CCc2ccccc2C1)NCc1nc(N)n[nH]1 ZINC000534575988 411827553 /nfs/dbraw/zinc/82/75/53/411827553.db2.gz GJDZMBCPUGDTKP-LLVKDONJSA-N 1 1 286.383 0.923 50 0 CCAAMO C[C@H](CN1CCc2ccccc2C1)[NH2+]Cc1nc(N)n[nH]1 ZINC000534575988 411827561 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/nfs/dbraw/zinc/63/39/61/349633961.db2.gz XBVVIYJZCSVDBZ-UHFFFAOYSA-N 1 1 293.371 0.538 50 0 CCAAMO COCC[N@H+]1CC[C@H](C(=O)NCc2cc(C)nn2C)C1 ZINC000097259339 349637011 /nfs/dbraw/zinc/63/70/11/349637011.db2.gz XTTGSJFIXNDJEA-LBPRGKRZSA-N 1 1 280.372 0.313 50 0 CCAAMO C[C@@H]1CN(C(=O)c2cc(C(F)(F)F)[nH]n2)CC[NH2+]1 ZINC000097773001 349647524 /nfs/dbraw/zinc/64/75/24/349647524.db2.gz USQUXUPLUUEEHH-ZCFIWIBFSA-N 1 1 262.235 0.862 50 0 CCAAMO C[N@H+]1CCN(Cc2ccc(OCCO)cc2)C[C@H]1CCO ZINC000104358944 349715038 /nfs/dbraw/zinc/71/50/38/349715038.db2.gz FKOCXAUNRNVHSQ-OAHLLOKOSA-N 1 1 294.395 0.556 50 0 CCAAMO CN1CC[N@H+](Cc2ccc(OCCO)cc2)C[C@H]1CCO ZINC000104358944 349715040 /nfs/dbraw/zinc/71/50/40/349715040.db2.gz FKOCXAUNRNVHSQ-OAHLLOKOSA-N 1 1 294.395 0.556 50 0 CCAAMO CN1CC[N@@H+](Cc2ccc(OCCO)cc2)C[C@H]1CCO ZINC000104358944 349715043 /nfs/dbraw/zinc/71/50/43/349715043.db2.gz FKOCXAUNRNVHSQ-OAHLLOKOSA-N 1 1 294.395 0.556 50 0 CCAAMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)c1cnns1 ZINC000115437101 349855016 /nfs/dbraw/zinc/85/50/16/349855016.db2.gz XOKJDWDXVMZEHA-VIFPVBQESA-N 1 1 254.359 0.952 50 0 CCAAMO CCOC(=O)N1CCC(N2CC[NH+](CCO)CC2)CC1 ZINC000019637387 348066002 /nfs/dbraw/zinc/06/60/02/348066002.db2.gz MMKLTJUNCTUCRZ-UHFFFAOYSA-N 1 1 285.388 0.217 50 0 CCAAMO C[C@@H]1C[C@H](C)C[N@H+](CCS(=O)(=O)CCC(N)=O)C1 ZINC000015257997 348039492 /nfs/dbraw/zinc/03/94/92/348039492.db2.gz UVPUMSKUDVWGME-PHIMTYICSA-N 1 1 276.402 0.255 50 0 CCAAMO NC(=O)NC(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000033040085 348143822 /nfs/dbraw/zinc/14/38/22/348143822.db2.gz FHWXOUVWUJWMHW-GFCCVEGCSA-N 1 1 277.324 0.379 50 0 CCAAMO O=S(=O)(c1ccc(F)cc1F)N1CC[NH2+]CC1 ZINC000034781403 348151539 /nfs/dbraw/zinc/15/15/39/348151539.db2.gz BRCOHNLEUVNZPY-UHFFFAOYSA-N 1 1 262.281 0.559 50 0 CCAAMO CS(=O)(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000040614262 348239171 /nfs/dbraw/zinc/23/91/71/348239171.db2.gz AGNVCYCSRGCOON-SNVBAGLBSA-N 1 1 258.343 0.966 50 0 CCAAMO CCN(CC)c1ncnc(N2CC[NH+](C)CC2)c1N ZINC000040723154 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/nfs/dbraw/zinc/40/49/27/631404927.db2.gz QDKUYPIWVYHDRE-VIFPVBQESA-N 1 1 262.231 0.919 50 0 CCAAMO CN(C)CC[NH+]1CCC(NC(=O)c2cncn2C)CC1 ZINC000299785979 632876155 /nfs/dbraw/zinc/87/61/55/632876155.db2.gz OUYJRXQYPARLJN-UHFFFAOYSA-N 1 1 279.388 0.176 50 0 CCAAMO COCCN1C(=O)[C@H]2C[N@@H+](Cc3cccn3C)C[C@H]2C1=O ZINC000169751567 637058019 /nfs/dbraw/zinc/05/80/19/637058019.db2.gz DEPFMTMRASTJQH-BETUJISGSA-N 1 1 291.351 0.088 50 0 CCAAMO CCc1cnc(N)nc1N[C@@H]1C[C@@H](CO)[N@@H+](C)C1 ZINC000095377966 649756056 /nfs/dbraw/zinc/75/60/56/649756056.db2.gz DKDMYNMNGGQRQU-ZJUUUORDSA-N 1 1 251.334 0.098 50 0 CCAAMO COCCn1c(C)c[nH+]c1CCNC(=O)COC ZINC000581817006 811446662 /nfs/dbraw/zinc/44/66/62/811446662.db2.gz MQBKZOWYSKSJBS-UHFFFAOYSA-N 1 1 255.318 0.143 50 0 CCAAMO [NH3+]CC[C@H]1CN(C2CSCCSC2)CCO1 ZINC000426707191 812984374 /nfs/dbraw/zinc/98/43/74/812984374.db2.gz KYNOEBZXBVRZEP-NSHDSACASA-N 1 1 262.444 0.885 50 0 CCAAMO C[C@@H]1[C@@H]2CCC[N@H+]2CCN1c1nc(N)nc2n[nH]cc21 ZINC000032577778 816361380 /nfs/dbraw/zinc/36/13/80/816361380.db2.gz PEYIWMUFKDYMMY-SCZZXKLOSA-N 1 1 273.344 0.608 50 0 CCAAMO CCC[N@H+]1CCC[C@H](NS(=O)(=O)N2CCCC2)C1 ZINC000822922701 821499518 /nfs/dbraw/zinc/49/95/18/821499518.db2.gz FGYIIBOMFXOLLP-LBPRGKRZSA-N 1 1 275.418 0.791 50 0 CCAAMO CN(CCn1cnnc1)C[C@@H]1CC[N@H+](C)C1(C)C ZINC000823690242 821531497 /nfs/dbraw/zinc/53/14/97/821531497.db2.gz SLYMKLAEOQHLQI-LBPRGKRZSA-N 1 1 251.378 0.940 50 0 CCAAMO CN(CCn1cnnc1)C[C@@H]1CC[N@@H+](C)C1(C)C ZINC000823690242 821531500 /nfs/dbraw/zinc/53/15/00/821531500.db2.gz SLYMKLAEOQHLQI-LBPRGKRZSA-N 1 1 251.378 0.940 50 0 CCAAMO C[NH+]1CCC(O)(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000823759629 821534560 /nfs/dbraw/zinc/53/45/60/821534560.db2.gz ZFHQHDFTUWIQDI-GFCCVEGCSA-N 1 1 281.400 0.044 50 0 CCAAMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C[NH+](C)C1CCCC1 ZINC000823784320 821539532 /nfs/dbraw/zinc/53/95/32/821539532.db2.gz JFAOAVPEZRRJHJ-AWEZNQCLSA-N 1 1 282.432 0.223 50 0 CCAAMO CN1CCN(C)[C@@H](CNC(=O)C[N@H+](C)C2CCCC2)C1 ZINC000823784320 821539547 /nfs/dbraw/zinc/53/95/47/821539547.db2.gz JFAOAVPEZRRJHJ-AWEZNQCLSA-N 1 1 282.432 0.223 50 0 CCAAMO CN1CCN(C)[C@@H](CNC(=O)C[N@@H+](C)C2CCCC2)C1 ZINC000823784320 821539552 /nfs/dbraw/zinc/53/95/52/821539552.db2.gz JFAOAVPEZRRJHJ-AWEZNQCLSA-N 1 1 282.432 0.223 50 0 CCAAMO COCCN(C)CC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000824405757 821630898 /nfs/dbraw/zinc/63/08/98/821630898.db2.gz UYUQMRUOPGJNLI-ZDUSSCGKSA-N 1 1 271.405 0.365 50 0 CCAAMO C[N@H+]1C[C@@]2(C)CN(C(=O)[C@]3(C)CCC(=O)NC3)C[C@@]2(C)C1 ZINC000585129148 839615985 /nfs/dbraw/zinc/61/59/85/839615985.db2.gz ZDMVHHABUOAHFH-OAGGEKHMSA-N 1 1 293.411 0.703 50 0 CCAAMO CC(C)n1cc(CN2CC[N@@H+](C)[C@H](CCO)C2)cn1 ZINC000042453732 840210101 /nfs/dbraw/zinc/21/01/01/840210101.db2.gz PQUYRLXJSLCYCN-CQSZACIVSA-N 1 1 266.389 0.962 50 0 CCAAMO CN1CCN(C(=O)c2csc(C[NH3+])n2)C(C)(C)C1=O ZINC000094866044 349577229 /nfs/dbraw/zinc/57/72/29/349577229.db2.gz ROYIUIJESZZEHF-UHFFFAOYSA-N 1 1 282.369 0.295 50 0 CCAAMO C[NH+](C)[C@H](C(=O)N1CC(O)C1)c1ccc(F)cc1 ZINC000095359740 349602920 /nfs/dbraw/zinc/60/29/20/349602920.db2.gz QESBKWBLBMLDRZ-LBPRGKRZSA-N 1 1 252.289 0.632 50 0 CCAAMO CC(C)S(=O)(=O)NC[C@@H]1CCC[N@@H+](CC(C)(C)O)C1 ZINC000095395031 349606998 /nfs/dbraw/zinc/60/69/98/349606998.db2.gz YNMJKLTUTCGPRQ-LBPRGKRZSA-N 1 1 292.445 0.797 50 0 CCAAMO O=C(c1cccnc1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000095381651 349605498 /nfs/dbraw/zinc/60/54/98/349605498.db2.gz HBOVQGJZSAQJHM-KGLIPLIRSA-N 1 1 275.352 0.753 50 0 CCAAMO CSC[C@@H]1CCC[N@H+]1CCNS(C)(=O)=O ZINC000095970871 349615566 /nfs/dbraw/zinc/61/55/66/349615566.db2.gz FIAVXQMCQAXLQL-VIFPVBQESA-N 1 1 252.405 0.363 50 0 CCAAMO Cc1nnnn1-c1cccc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000095480478 349614442 /nfs/dbraw/zinc/61/44/42/349614442.db2.gz ZAVMFUADCPSICR-UHFFFAOYSA-N 1 1 286.339 0.358 50 0 CCAAMO CN(CCCS(C)(=O)=O)C(=O)[C@H]([NH3+])c1ccccc1 ZINC000097234130 349636147 /nfs/dbraw/zinc/63/61/47/349636147.db2.gz FAWBGXTVBYLBJB-GFCCVEGCSA-N 1 1 284.381 0.580 50 0 CCAAMO Cn1cccc(C(=O)NCC[C@H]2CCC[N@H+]2C)c1=O ZINC000097272557 349636812 /nfs/dbraw/zinc/63/68/12/349636812.db2.gz CRWARHISKIXNFE-LLVKDONJSA-N 1 1 263.341 0.599 50 0 CCAAMO CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCN(C[C@H]2CCOC2)CC1 ZINC000253426097 352534400 /nfs/dbraw/zinc/53/44/00/352534400.db2.gz HZFJGBHJCUUTOI-BFHYXJOUSA-N 1 1 283.416 0.541 50 0 CCAAMO CC[N@H+]1C[C@H](C)[C@H](NS(=O)(=O)[C@H](C)COC)C1 ZINC000107059066 349736099 /nfs/dbraw/zinc/73/60/99/349736099.db2.gz AHFCFONYKFUBAL-HBNTYKKESA-N 1 1 264.391 0.281 50 0 CCAAMO C[N@H+]1CCC[C@@H](CNC(=O)CN2CCCC2=O)C1 ZINC000108343491 349747195 /nfs/dbraw/zinc/74/71/95/349747195.db2.gz NPBJXXOBHPZNLU-NSHDSACASA-N 1 1 253.346 0.067 50 0 CCAAMO C[N@@H+]1C[C@H]2CN(C(=O)[C@@H](O)Cc3ccccc3)C[C@H]2C1 ZINC000253427767 352535451 /nfs/dbraw/zinc/53/54/51/352535451.db2.gz DWYDLQDLAYQPIU-ZNMIVQPWSA-N 1 1 274.364 0.610 50 0 CCAAMO Cc1nn(C(C)C)cc1C[N@@H+]1CC[C@@H]2OCC(=O)N[C@@H]2C1 ZINC000253432015 352535715 /nfs/dbraw/zinc/53/57/15/352535715.db2.gz WBMJXBLWTWODAB-KGLIPLIRSA-N 1 1 292.383 0.862 50 0 CCAAMO Cc1nn(C(C)C)cc1C[N@H+]1CC[C@@H]2OCC(=O)N[C@@H]2C1 ZINC000253432015 352535717 /nfs/dbraw/zinc/53/57/17/352535717.db2.gz WBMJXBLWTWODAB-KGLIPLIRSA-N 1 1 292.383 0.862 50 0 CCAAMO COC(=O)c1cnc(N2CC[NH+](C)CC2)nc1C ZINC000008731934 348012713 /nfs/dbraw/zinc/01/27/13/348012713.db2.gz XJCNDNBCZAERBV-UHFFFAOYSA-N 1 1 250.302 0.323 50 0 CCAAMO CCOC(=O)N1CCC([NH+]2CCN(C(C)=O)CC2)CC1 ZINC000019636383 348066037 /nfs/dbraw/zinc/06/60/37/348066037.db2.gz TVQCGRMMRKYOFC-UHFFFAOYSA-N 1 1 283.372 0.771 50 0 CCAAMO CC(C)[NH+]1CCC(N2CCN(CCO)CC2)CC1 ZINC000019889077 348072959 /nfs/dbraw/zinc/07/29/59/348072959.db2.gz GPCYVFIILGIAMG-UHFFFAOYSA-N 1 1 255.406 0.469 50 0 CCAAMO O=C1C[C@H]2[C@@H](CC[N@H+]3CC=C4C=C[C@H](O)C[C@]423)CO1 ZINC000019898998 348073305 /nfs/dbraw/zinc/07/33/05/348073305.db2.gz AABHNUONHBHYAE-NHULGOKLSA-N 1 1 261.321 0.871 50 0 CCAAMO CCC12CN3CC(C[N@@H+](C1)CC3)[C@@H]2NC(=S)NC ZINC000019361645 348059813 /nfs/dbraw/zinc/05/98/13/348059813.db2.gz JESVEOCLHXHPKI-AKJDGMEZSA-N 1 1 268.430 0.106 50 0 CCAAMO Cc1noc(C)c1S(=O)(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000028232874 348105498 /nfs/dbraw/zinc/10/54/98/348105498.db2.gz KJRCIPHCLHQXRM-LLVKDONJSA-N 1 1 285.369 0.760 50 0 CCAAMO Cc1noc(C)c1S(=O)(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000028232874 348105501 /nfs/dbraw/zinc/10/55/01/348105501.db2.gz KJRCIPHCLHQXRM-LLVKDONJSA-N 1 1 285.369 0.760 50 0 CCAAMO COc1cccc(CNC(=O)C[NH+]2CCC(O)CC2)c1 ZINC000032758508 348138387 /nfs/dbraw/zinc/13/83/87/348138387.db2.gz XFVCWSCLBCEFIB-UHFFFAOYSA-N 1 1 278.352 0.768 50 0 CCAAMO CNC(=O)NC(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000033040082 348144048 /nfs/dbraw/zinc/14/40/48/348144048.db2.gz KCAAVCZGRXTUGW-ZDUSSCGKSA-N 1 1 291.351 0.640 50 0 CCAAMO NC(=O)CC[NH+]1CCN(C(=O)CCc2ccccc2)CC1 ZINC000041466022 348255310 /nfs/dbraw/zinc/25/53/10/348255310.db2.gz MVGIUISUZRPAFW-UHFFFAOYSA-N 1 1 289.379 0.639 50 0 CCAAMO COc1ccc(OCCC[N@@H+](C)CC(N)=O)cc1 ZINC000051827276 348497340 /nfs/dbraw/zinc/49/73/40/348497340.db2.gz LMGXPMPJHNUAQQ-UHFFFAOYSA-N 1 1 252.314 0.881 50 0 CCAAMO C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)c1ccco1 ZINC000058056109 348620526 /nfs/dbraw/zinc/62/05/26/348620526.db2.gz LQDAQJNCXGLHEV-UWVGGRQHSA-N 1 1 265.313 0.277 50 0 CCAAMO COc1ccc([C@H]2CC[N@@H+](CC(=O)NC(N)=O)C2)cc1 ZINC000058201130 348623326 /nfs/dbraw/zinc/62/33/26/348623326.db2.gz FBFXEWPWRHZWPL-NSHDSACASA-N 1 1 277.324 0.679 50 0 CCAAMO Cc1c[nH+]c(NCCc2nnc(N)s2)nc1N(C)C ZINC000065394518 348712967 /nfs/dbraw/zinc/71/29/67/348712967.db2.gz VWPAPBOJBFZQHY-UHFFFAOYSA-N 1 1 279.373 0.939 50 0 CCAAMO NS(=O)(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000065457303 348717572 /nfs/dbraw/zinc/71/75/72/348717572.db2.gz NYSLCUKALPQFKT-UHFFFAOYSA-N 1 1 269.370 0.398 50 0 CCAAMO CCCCN1CCN(CC2CC[NH2+]CC2)CC1=O ZINC000067691732 348781185 /nfs/dbraw/zinc/78/11/85/348781185.db2.gz DBBGERKISUEINB-UHFFFAOYSA-N 1 1 253.390 0.930 50 0 CCAAMO COC(=O)CN1CCC(N[C@H]2CC[NH2+]C2(C)C)CC1 ZINC000067688784 348781640 /nfs/dbraw/zinc/78/16/40/348781640.db2.gz XORZRHGAPANURI-LBPRGKRZSA-N 1 1 269.389 0.354 50 0 CCAAMO C[C@H](C(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1C)N1CCOCC1 ZINC000069528823 348849961 /nfs/dbraw/zinc/84/99/61/348849961.db2.gz PDTVFOFNSOUGCV-QLFBSQMISA-N 1 1 295.427 0.792 50 0 CCAAMO Cn1cc([C@@H]2CCC[N@H+]2CCCNS(C)(=O)=O)cn1 ZINC000069698067 348857259 /nfs/dbraw/zinc/85/72/59/348857259.db2.gz OHZNJLCRANEMJA-LBPRGKRZSA-N 1 1 286.401 0.496 50 0 CCAAMO CCOc1ccnc(N2CC[NH+](CCOC)CC2)n1 ZINC000069658921 348857335 /nfs/dbraw/zinc/85/73/35/348857335.db2.gz FFGILSMFKKSORK-UHFFFAOYSA-N 1 1 266.345 0.644 50 0 CCAAMO CC[C@@H](O)C[NH+]1CCN(C(=O)c2cccn2C)CC1 ZINC000069697991 348857407 /nfs/dbraw/zinc/85/74/07/348857407.db2.gz AAKKFGCWNBDJNQ-GFCCVEGCSA-N 1 1 265.357 0.554 50 0 CCAAMO CCOCC[NH+]1CCN(CC(=O)NCc2ccco2)CC1 ZINC000069656009 348857526 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CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cncc(=O)[nH]1 ZINC000584896862 359237209 /nfs/dbraw/zinc/23/72/09/359237209.db2.gz VVSHFRNNPXWNFJ-SNVBAGLBSA-N 1 1 264.329 0.374 50 0 CCAAMO COCC[N@H+]1CC[C@H](C(=O)N(C)CC2(C)COC2)C1 ZINC000584902202 359242946 /nfs/dbraw/zinc/24/29/46/359242946.db2.gz XGBJAXFTQIOXMM-LBPRGKRZSA-N 1 1 270.373 0.450 50 0 CCAAMO Cc1cccc2ncn(C[C@H]3C[N@@H+](C)CCN3C)c(=O)c12 ZINC000584903388 359244187 /nfs/dbraw/zinc/24/41/87/359244187.db2.gz OEDAGYWLKFAPTA-CYBMUJFWSA-N 1 1 286.379 0.951 50 0 CCAAMO Cc1cccc2ncn(C[C@H]3C[N@H+](C)CCN3C)c(=O)c12 ZINC000584903388 359244190 /nfs/dbraw/zinc/24/41/90/359244190.db2.gz OEDAGYWLKFAPTA-CYBMUJFWSA-N 1 1 286.379 0.951 50 0 CCAAMO CNC(=O)[C@@H]1CCC[C@H]1Nc1cc[nH+]cc1C(=O)OC ZINC000585142473 359252760 /nfs/dbraw/zinc/25/27/60/359252760.db2.gz XBUUZIACDMAVDT-MWLCHTKSSA-N 1 1 277.324 0.617 50 0 CCAAMO CSC[C@H](C)C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593856468 360177684 /nfs/dbraw/zinc/17/76/84/360177684.db2.gz XUKVRKZLLMIVER-GXSJLCMTSA-N 1 1 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CCO[C@H]1C[N@H+](CC)C[C@@H]1NC(=O)c1cc(=O)cc(C)[nH]1 ZINC000426477903 389668431 /nfs/dbraw/zinc/66/84/31/389668431.db2.gz AEJSUYRWRXLHJC-KBPBESRZSA-N 1 1 293.367 0.522 50 0 CCAAMO CCO[C@H]1C[N@@H+](CC)C[C@@H]1NC(=O)c1cc(=O)cc(C)[nH]1 ZINC000426477903 389668433 /nfs/dbraw/zinc/66/84/33/389668433.db2.gz AEJSUYRWRXLHJC-KBPBESRZSA-N 1 1 293.367 0.522 50 0 CCAAMO [NH3+]CC[C@@H]1C[N@H+](Cc2cccc(C(=O)[O-])c2)CCO1 ZINC000426545005 389672453 /nfs/dbraw/zinc/67/24/53/389672453.db2.gz ICISXYSYWORZSZ-CYBMUJFWSA-N 1 1 264.325 0.934 50 0 CCAAMO [NH3+]CC[C@@H]1C[N@@H+](Cc2cccc(C(=O)[O-])c2)CCO1 ZINC000426545005 389672455 /nfs/dbraw/zinc/67/24/55/389672455.db2.gz ICISXYSYWORZSZ-CYBMUJFWSA-N 1 1 264.325 0.934 50 0 CCAAMO CC(C)c1[nH+]ccn1[C@@H](C)C(=O)N1CCS(=O)(=O)CC1 ZINC000095391333 184963938 /nfs/dbraw/zinc/96/39/38/184963938.db2.gz HRFLUMOONQSDFX-NSHDSACASA-N 1 1 299.396 0.825 50 0 CCAAMO C[NH+]1CCN(C(=O)N2CC[C@H](Oc3ncccn3)C2)CC1 ZINC000575608310 390843259 /nfs/dbraw/zinc/84/32/59/390843259.db2.gz 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/nfs/dbraw/zinc/81/87/74/411818774.db2.gz GIJGUOWIIVQIGP-VIFPVBQESA-N 1 1 274.328 0.362 50 0 CCAAMO Cc1c[nH]c(C[N@@H+]2CCC[C@H](Cn3cc(CO)nn3)C2)n1 ZINC000020209223 171073234 /nfs/dbraw/zinc/07/32/34/171073234.db2.gz REAKOCXNSVUGLS-LBPRGKRZSA-N 1 1 290.371 0.714 50 0 CCAAMO Cc1c[nH]c(C[N@H+]2CCC[C@H](Cn3cc(CO)nn3)C2)n1 ZINC000020209223 171073235 /nfs/dbraw/zinc/07/32/35/171073235.db2.gz REAKOCXNSVUGLS-LBPRGKRZSA-N 1 1 290.371 0.714 50 0 CCAAMO OCC[NH+]1CCN(C[C@H](O)COC2CCCCC2)CC1 ZINC000020668521 171269598 /nfs/dbraw/zinc/26/95/98/171269598.db2.gz GKSISEOMWASKAG-AWEZNQCLSA-N 1 1 286.416 0.307 50 0 CCAAMO C[NH+]1CCN(CC(=O)NC(=O)NC2CCCCC2)CC1 ZINC000022794756 171399392 /nfs/dbraw/zinc/39/93/92/171399392.db2.gz MSFNTLXMKSTICY-UHFFFAOYSA-N 1 1 282.388 0.392 50 0 CCAAMO COc1cccc(CCC(=O)N2CC[NH+](CCO)CC2)c1 ZINC000035187938 172043225 /nfs/dbraw/zinc/04/32/25/172043225.db2.gz DXLBSZYSDRUVFY-UHFFFAOYSA-N 1 1 292.379 0.764 50 0 CCAAMO O=S1(=O)C[C@H]([NH2+]Cc2ccc(Cl)cc2)[C@H](O)C1 ZINC000037487324 173229986 /nfs/dbraw/zinc/22/99/86/173229986.db2.gz KAWFPWMKCFUFLQ-WDEREUQCSA-N 1 1 275.757 0.588 50 0 CCAAMO CC[C@H](C)NC(=O)C[NH+]1CCC2(CC1)OCCO2 ZINC000045749011 175383152 /nfs/dbraw/zinc/38/31/52/175383152.db2.gz HTBSRMKBTJSYFF-NSHDSACASA-N 1 1 256.346 0.740 50 0 CCAAMO CNC(=O)C[NH+]1CCC(NC(=O)c2c(C)noc2C)CC1 ZINC000046448717 175396447 /nfs/dbraw/zinc/39/64/47/175396447.db2.gz MBUUFPMCANFMIW-UHFFFAOYSA-N 1 1 294.355 0.232 50 0 CCAAMO COCc1nnc(C(=O)N(C)C[C@]2(C)CC[N@@H+](C)C2)o1 ZINC000071758876 176260564 /nfs/dbraw/zinc/26/05/64/176260564.db2.gz VYWXGWKSQBTCPN-CYBMUJFWSA-N 1 1 282.344 0.630 50 0 CCAAMO CC(C)[N@H+]1CCN(Cc2ccon2)C[C@@H]1CCO ZINC000071755408 176260621 /nfs/dbraw/zinc/26/06/21/176260621.db2.gz UNJLSJLTEKKHJS-ZDUSSCGKSA-N 1 1 253.346 0.952 50 0 CCAAMO Cn1cc([C@H]2CCC[N@@H+]2CC(=O)N2CCOCC2)cn1 ZINC000071797278 176264906 /nfs/dbraw/zinc/26/49/06/176264906.db2.gz YDJSBHJQLUBTLH-CYBMUJFWSA-N 1 1 278.356 0.416 50 0 CCAAMO Cn1cc([C@H]2CCC[N@H+]2CC(=O)N2CCOCC2)cn1 ZINC000071797278 176264907 /nfs/dbraw/zinc/26/49/07/176264907.db2.gz YDJSBHJQLUBTLH-CYBMUJFWSA-N 1 1 278.356 0.416 50 0 CCAAMO Cn1cc([C@@H]2CCC[N@H+]2C[C@H](O)CN2CCOCC2)cn1 ZINC000071799313 176265485 /nfs/dbraw/zinc/26/54/85/176265485.db2.gz ZGAGGOGYXGQUKD-CABCVRRESA-N 1 1 294.399 0.250 50 0 CCAAMO C[C@H]1C[N@H+](C2CCN(CC(=O)NC3CC3)CC2)CCO1 ZINC000071997622 176308207 /nfs/dbraw/zinc/30/82/07/176308207.db2.gz KPRWSDFLPQXKKG-LBPRGKRZSA-N 1 1 281.400 0.450 50 0 CCAAMO Cc1cc(C(=O)N2CCC[C@@](O)(C[NH+](C)C)CC2)n[nH]1 ZINC000072133074 176321728 /nfs/dbraw/zinc/32/17/28/176321728.db2.gz ZCAIWVSMCDGQMR-AWEZNQCLSA-N 1 1 280.372 0.637 50 0 CCAAMO C[C@@H](O)C[N@H+]1CCN(Cc2cnn(C)c2)C[C@H]1C ZINC000078766588 177384469 /nfs/dbraw/zinc/38/44/69/177384469.db2.gz FSVUEIGVUHCWJE-VXGBXAGGSA-N 1 1 252.362 0.307 50 0 CCAAMO Cc1cc(C)n(CCC(=O)N2CC[NH+](C)CC2)n1 ZINC000032873698 544419877 /nfs/dbraw/zinc/41/98/77/544419877.db2.gz MDTXLJGOYMLLRE-UHFFFAOYSA-N 1 1 250.346 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/nfs/dbraw/zinc/06/04/89/389060489.db2.gz IHLZNAIPMALXLC-GFCCVEGCSA-N 1 1 258.362 0.640 50 0 CCAAMO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000096491781 389062112 /nfs/dbraw/zinc/06/21/12/389062112.db2.gz OOYKXOOZFXQUPT-NIFZNCRKSA-N 1 1 297.443 0.941 50 0 CCAAMO Cc1[nH+]ccn1CCN(C)C(=O)COC[C@@H]1CCCO1 ZINC000223080133 389143143 /nfs/dbraw/zinc/14/31/43/389143143.db2.gz FOGBXNATVZOOPK-ZDUSSCGKSA-N 1 1 281.356 0.846 50 0 CCAAMO C[C@@H](NC(=O)[C@@H]1COCC[NH2+]1)c1ccc2c(c1)CC(=O)N2 ZINC000237365644 389187699 /nfs/dbraw/zinc/18/76/99/389187699.db2.gz UMKGWZOEPVCPNI-RNCFNFMXSA-N 1 1 289.335 0.347 50 0 CCAAMO Cc1ccc([C@@H](O)CNC(=O)[C@@H]2COCC[NH2+]2)cc1 ZINC000269219987 389407621 /nfs/dbraw/zinc/40/76/21/389407621.db2.gz IAIRAHRVYIJDGA-STQMWFEESA-N 1 1 264.325 0.133 50 0 CCAAMO Cc1[nH+]cn(CCNC(=O)[C@@H]2CCS(=O)(=O)C2)c1C ZINC000426371929 389663697 /nfs/dbraw/zinc/66/36/97/389663697.db2.gz CNDQZQGOFGSLNY-LLVKDONJSA-N 1 1 285.369 0.051 50 0 CCAAMO Cc1cc(CNC(=O)[C@H](C)N2CC[NH+](C)CC2)ccn1 ZINC000426411281 389665473 /nfs/dbraw/zinc/66/54/73/389665473.db2.gz JRYMGILTQOWXHE-ZDUSSCGKSA-N 1 1 276.384 0.642 50 0 CCAAMO CCOC(=O)N1CCC([NH2+][C@H]2CNC[C@@H]2OC)CC1 ZINC000426412719 389665573 /nfs/dbraw/zinc/66/55/73/389665573.db2.gz OKANOMUTSZUECO-RYUDHWBXSA-N 1 1 271.361 0.184 50 0 CCAAMO CO[C@H]1C[N@H+](C(C)C)C[C@@H]1NC(=O)CCc1cn[nH]c1 ZINC000426441916 389667411 /nfs/dbraw/zinc/66/74/11/389667411.db2.gz OFMBOPWVXQWMSD-STQMWFEESA-N 1 1 280.372 0.566 50 0 CCAAMO CC[N@H+]1CCC[C@@H](C(=O)NCCn2ccnn2)C1 ZINC000426517564 389670831 /nfs/dbraw/zinc/67/08/31/389670831.db2.gz JYYPRFQXRUGRSU-LLVKDONJSA-N 1 1 251.334 0.126 50 0 CCAAMO Cc1ccc(C(=O)NCCc2c[nH]nn2)cc1OCC[NH3+] ZINC000426712161 389677523 /nfs/dbraw/zinc/67/75/23/389677523.db2.gz OLWPCVXGUVVUPS-UHFFFAOYSA-N 1 1 289.339 0.423 50 0 CCAAMO Cc1ccc(C(=O)NCCc2cnn[nH]2)cc1OCC[NH3+] ZINC000426712161 389677528 /nfs/dbraw/zinc/67/75/28/389677528.db2.gz OLWPCVXGUVVUPS-UHFFFAOYSA-N 1 1 289.339 0.423 50 0 CCAAMO C[N@H+]1CCCC[C@H]1CCC(=O)NCc1nc(C(N)=O)no1 ZINC000095386648 184963126 /nfs/dbraw/zinc/96/31/26/184963126.db2.gz CQWWGEYCFLLGTG-VIFPVBQESA-N 1 1 295.343 0.049 50 0 CCAAMO CNC(=O)Cn1cc(NCC(C)(C)[NH+]2CCOCC2)cn1 ZINC000585117842 390357604 /nfs/dbraw/zinc/35/76/04/390357604.db2.gz ZPJQXTKDOPAWLK-UHFFFAOYSA-N 1 1 295.387 0.152 50 0 CCAAMO CC[C@@H]1C(=O)NCC[N@H+]1C[C@H](OC)C1CCOCC1 ZINC000585116921 390357782 /nfs/dbraw/zinc/35/77/82/390357782.db2.gz MKLHGQWUQGGDDS-OLZOCXBDSA-N 1 1 270.373 0.638 50 0 CCAAMO CC[C@@H]1C(=O)NCC[N@@H+]1C[C@H](OC)C1CCOCC1 ZINC000585116921 390357784 /nfs/dbraw/zinc/35/77/84/390357784.db2.gz MKLHGQWUQGGDDS-OLZOCXBDSA-N 1 1 270.373 0.638 50 0 CCAAMO CC(C)(C)n1cc(C[N@H+]2CCC[C@](O)(CC(N)=O)C2)cn1 ZINC000643745392 390524776 /nfs/dbraw/zinc/52/47/76/390524776.db2.gz DPSWPDJHJNVMCX-HNNXBMFYSA-N 1 1 294.399 0.840 50 0 CCAAMO C[C@@H]1CN(c2nc(N3CCC(O)CC3)cc[nH+]2)C[C@]1(C)O ZINC000092062511 135075250 /nfs/dbraw/zinc/07/52/50/135075250.db2.gz QCUHAALHRIHZAZ-ABAIWWIYSA-N 1 1 292.383 0.645 50 0 CCAAMO C[C@@H](O)C[NH+]1CCN(C(=O)C[C@@H]2CCCO2)CC1 ZINC000069901875 287089329 /nfs/dbraw/zinc/08/93/29/287089329.db2.gz KFWBTWDCEDQTSN-NEPJUHHUSA-N 1 1 256.346 0.081 50 0 CCAAMO CCN(CC)c1nc(=NN)[nH+]c(N(CC)CC)[nH]1 ZINC000005650290 170124109 /nfs/dbraw/zinc/12/41/09/170124109.db2.gz IRQOBYXMACIFKD-UHFFFAOYSA-N 1 1 253.354 0.272 50 0 in-man CCAAMO NC(=O)c1ccccc1NC(=O)C[N@H+](CCO)C1CC1 ZINC000049832235 411678051 /nfs/dbraw/zinc/67/80/51/411678051.db2.gz NNRDDNJDJHZZEG-UHFFFAOYSA-N 1 1 277.324 0.181 50 0 CCAAMO NC(=O)c1ccccc1NC(=O)C[N@@H+](CCO)C1CC1 ZINC000049832235 411678057 /nfs/dbraw/zinc/67/80/57/411678057.db2.gz NNRDDNJDJHZZEG-UHFFFAOYSA-N 1 1 277.324 0.181 50 0 CCAAMO OCCNc1nc(N2CCCC2)cc([C@H]2CCOC2)[nH+]1 ZINC000426584634 411818111 /nfs/dbraw/zinc/81/81/11/411818111.db2.gz GMSNGJGMFARKCH-NSHDSACASA-N 1 1 278.356 0.985 50 0 CCAAMO CC[C@@H]1CN(C(=O)c2cnc(N)s2)CC[N@@H+]1C ZINC000584889470 411834913 /nfs/dbraw/zinc/83/49/13/411834913.db2.gz SATFSUNJMCWPIT-MRVPVSSYSA-N 1 1 254.359 0.892 50 0 CCAAMO CC[C@@H]1CN(C(=O)c2cnc(N)s2)CC[N@H+]1C ZINC000584889470 411834916 /nfs/dbraw/zinc/83/49/16/411834916.db2.gz SATFSUNJMCWPIT-MRVPVSSYSA-N 1 1 254.359 0.892 50 0 CCAAMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2nccnc2N)C1 ZINC000022693764 171396466 /nfs/dbraw/zinc/39/64/66/171396466.db2.gz UWFHCZADDCOYRR-LLVKDONJSA-N 1 1 293.371 0.145 50 0 CCAAMO CNC(=O)NC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000022771422 171398931 /nfs/dbraw/zinc/39/89/31/171398931.db2.gz BMESJSYECHIRCT-CYBMUJFWSA-N 1 1 290.367 0.431 50 0 CCAAMO O=C(C[N@H+]1CCC[C@@H](O)C1)NCc1ccccc1F ZINC000039987714 174181478 /nfs/dbraw/zinc/18/14/78/174181478.db2.gz VSTDOZNIRYODDC-GFCCVEGCSA-N 1 1 266.316 0.899 50 0 CCAAMO O=C(C[N@@H+]1CCC[C@@H](O)C1)NCc1ccccc1F ZINC000039987714 174181480 /nfs/dbraw/zinc/18/14/80/174181480.db2.gz VSTDOZNIRYODDC-GFCCVEGCSA-N 1 1 266.316 0.899 50 0 CCAAMO CCOC(=O)CCCCC[N@@H+]1CCNC(=O)[C@@H]1C ZINC000071293477 176111510 /nfs/dbraw/zinc/11/15/10/176111510.db2.gz SSEAEZPLAPMTKE-NSHDSACASA-N 1 1 256.346 0.930 50 0 CCAAMO CCOC(=O)CCCCC[N@H+]1CCNC(=O)[C@@H]1C ZINC000071293477 176111511 /nfs/dbraw/zinc/11/15/11/176111511.db2.gz SSEAEZPLAPMTKE-NSHDSACASA-N 1 1 256.346 0.930 50 0 CCAAMO C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H](C)Cn2cccn2)CC1 ZINC000071871266 176283566 /nfs/dbraw/zinc/28/35/66/176283566.db2.gz NZUPHHSIVPRXKZ-QWHCGFSZSA-N 1 1 280.372 0.044 50 0 CCAAMO NC(=O)[C@H](c1ccccc1)[N@@H+]1CCC[C@@H]1Cn1cncn1 ZINC000071875149 176284709 /nfs/dbraw/zinc/28/47/09/176284709.db2.gz PGLGZOSQEXIWFG-KGLIPLIRSA-N 1 1 285.351 0.969 50 0 CCAAMO NC(=O)[C@H](c1ccccc1)[N@H+]1CCC[C@@H]1Cn1cncn1 ZINC000071875149 176284711 /nfs/dbraw/zinc/28/47/11/176284711.db2.gz PGLGZOSQEXIWFG-KGLIPLIRSA-N 1 1 285.351 0.969 50 0 CCAAMO CS(=O)(=O)CCC[N@@H+]1CCCC[C@H]1Cn1cncn1 ZINC000071876463 176285513 /nfs/dbraw/zinc/28/55/13/176285513.db2.gz ZACNGUYGGUCLHV-LBPRGKRZSA-N 1 1 286.401 0.567 50 0 CCAAMO CS(=O)(=O)CCC[N@H+]1CCCC[C@H]1Cn1cncn1 ZINC000071876463 176285514 /nfs/dbraw/zinc/28/55/14/176285514.db2.gz ZACNGUYGGUCLHV-LBPRGKRZSA-N 1 1 286.401 0.567 50 0 CCAAMO CCO[C@H](CC)C(=O)N1CC[NH+](C[C@@H](O)CC)CC1 ZINC000071881765 176288708 /nfs/dbraw/zinc/28/87/08/176288708.db2.gz WCGZDZSDRZXSRB-QWHCGFSZSA-N 1 1 272.389 0.717 50 0 CCAAMO CNC(=O)C[C@H]1C(=O)NCC[N@H+]1CCCc1ccccc1 ZINC000072134631 176322238 /nfs/dbraw/zinc/32/22/38/176322238.db2.gz SFACLSZUVOXYQO-AWEZNQCLSA-N 1 1 289.379 0.556 50 0 CCAAMO CNC(=O)C[C@H]1C(=O)NCC[N@@H+]1CCCc1ccccc1 ZINC000072134631 176322239 /nfs/dbraw/zinc/32/22/39/176322239.db2.gz SFACLSZUVOXYQO-AWEZNQCLSA-N 1 1 289.379 0.556 50 0 CCAAMO CCc1[nH+]ccn1CCCn1cnc2cn(C)nc2c1=O ZINC000072174112 176333835 /nfs/dbraw/zinc/33/38/35/176333835.db2.gz NZBAJYIKKOUIPS-UHFFFAOYSA-N 1 1 286.339 0.979 50 0 CCAAMO CC[C@@H](O)C[NH+]1CCN(C(=O)COc2cccnc2)CC1 ZINC000072269902 176354175 /nfs/dbraw/zinc/35/41/75/176354175.db2.gz BDINWFOPQCMICJ-CYBMUJFWSA-N 1 1 293.367 0.376 50 0 CCAAMO O[C@@]1(CNCCc2cnn(-c3ccccc3)c2)CC[NH2+]C1 ZINC000077392714 177262627 /nfs/dbraw/zinc/26/26/27/177262627.db2.gz WANSZEFIQNMVIQ-MRXNPFEDSA-N 1 1 286.379 0.729 50 0 CCAAMO CNc1nc(C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)cs1 ZINC000077407368 177264058 /nfs/dbraw/zinc/26/40/58/177264058.db2.gz IOFGQJKZJLONAD-WCBMZHEXSA-N 1 1 266.370 0.961 50 0 CCAAMO Cc1c(C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)cnc2ccnn21 ZINC000077471506 177272640 /nfs/dbraw/zinc/27/26/40/177272640.db2.gz RXIIKJJDLBYDRF-WCQYABFASA-N 1 1 285.351 0.814 50 0 CCAAMO O[C@]12CC[NH2+]C[C@H]1CN(CCCn1ccnc1)CC2 ZINC000091626392 544527736 /nfs/dbraw/zinc/52/77/36/544527736.db2.gz UQPZIXCOPIQHCY-KBPBESRZSA-N 1 1 264.373 0.320 50 0 CCAAMO CC[C@](C)(CNC(=O)[C@H](C)n1cncn1)[NH+]1CCOCC1 ZINC000040515312 260177149 /nfs/dbraw/zinc/17/71/49/260177149.db2.gz OEGAGDAYNNXLIR-GXTWGEPZSA-N 1 1 295.387 0.456 50 0 CCAAMO O[C@H]1CCC[N@H+](C2CCN(c3ncccn3)CC2)C1 ZINC000032558409 275058599 /nfs/dbraw/zinc/05/85/99/275058599.db2.gz KHKPFVPDZLAANS-ZDUSSCGKSA-N 1 1 262.357 0.902 50 0 CCAAMO CC[N@@H+]1CCO[C@H](C(=O)N2CCc3ccc(O)cc3C2)C1 ZINC000225486055 276208926 /nfs/dbraw/zinc/20/89/26/276208926.db2.gz CPNUJHWSPGNHOK-HNNXBMFYSA-N 1 1 290.363 0.998 50 0 CCAAMO CC[N@H+]1CCO[C@H](C(=O)N2CCc3ccc(O)cc3C2)C1 ZINC000225486055 276208927 /nfs/dbraw/zinc/20/89/27/276208927.db2.gz CPNUJHWSPGNHOK-HNNXBMFYSA-N 1 1 290.363 0.998 50 0 CCAAMO C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2Cc3ccccc3CN2)C1 ZINC000178408813 277029031 /nfs/dbraw/zinc/02/90/31/277029031.db2.gz UMHXWZMTSYYSBF-SWLSCSKDSA-N 1 1 273.380 0.769 50 0 CCAAMO C[N@H+]1CC[C@H](C(=O)N2CCCN(c3cccnn3)CC2)C1 ZINC000075603322 277161348 /nfs/dbraw/zinc/16/13/48/277161348.db2.gz KKYPBIMOPSQNGW-ZDUSSCGKSA-N 1 1 289.383 0.467 50 0 CCAAMO COC(=O)N1CCC[N@@H+]([C@@H](C)C(=O)NC(C)C)CC1 ZINC000068819254 277334081 /nfs/dbraw/zinc/33/40/81/277334081.db2.gz FEQJIVSKMOHAQR-NSHDSACASA-N 1 1 271.361 0.674 50 0 CCAAMO COC(=O)N1CCC[N@H+]([C@@H](C)C(=O)NC(C)C)CC1 ZINC000068819254 277334083 /nfs/dbraw/zinc/33/40/83/277334083.db2.gz FEQJIVSKMOHAQR-NSHDSACASA-N 1 1 271.361 0.674 50 0 CCAAMO C[C@@H](CCNc1ncnc2nc[nH]c21)N1CC[NH+](C)CC1 ZINC000534577218 328310518 /nfs/dbraw/zinc/31/05/18/328310518.db2.gz ANTNONWVNABNIA-NSHDSACASA-N 1 1 289.387 0.742 50 0 CCAAMO CC[N@@H+]1C[C@H](NS(=O)(=O)c2ccccc2)[C@@H](OC)C1 ZINC000534644217 328329946 /nfs/dbraw/zinc/32/99/46/328329946.db2.gz MNEBLPHFKAGBJX-STQMWFEESA-N 1 1 284.381 0.684 50 0 CCAAMO CC[N@H+]1C[C@H](NS(=O)(=O)c2ccccc2)[C@@H](OC)C1 ZINC000534644217 328329948 /nfs/dbraw/zinc/32/99/48/328329948.db2.gz MNEBLPHFKAGBJX-STQMWFEESA-N 1 1 284.381 0.684 50 0 CCAAMO CN1CCN(CC2(C[NH2+][C@H]3CCOC3)CC2)CC1 ZINC000534654303 328338896 /nfs/dbraw/zinc/33/88/96/328338896.db2.gz UZZRHINNVVTAOL-ZDUSSCGKSA-N 1 1 253.390 0.393 50 0 CCAAMO CN(C)C(=O)[C@@H]1CN(c2[nH+]cnc3[nH]ccc32)CCO1 ZINC000670430021 545234496 /nfs/dbraw/zinc/23/44/96/545234496.db2.gz YHKVYMUFOTYOQW-JTQLQIEISA-N 1 1 275.312 0.251 50 0 CCAAMO CC(C)O[C@H]1C[N@@H+](CCN2CCCC2=O)C[C@@H]1O ZINC000670440564 545235019 /nfs/dbraw/zinc/23/50/19/545235019.db2.gz IAUWKANYEIEVAN-RYUDHWBXSA-N 1 1 256.346 0.079 50 0 CCAAMO COCC[N@H+]1CC[C@H](CNC(=O)c2cncn2C)C1 ZINC000670444578 545235469 /nfs/dbraw/zinc/23/54/69/545235469.db2.gz IXZBORZJCVWCLC-LLVKDONJSA-N 1 1 266.345 0.118 50 0 CCAAMO O[C@@]1(c2ccccc2)CC[N@@H+](CCn2cnnc2)C1 ZINC000670448706 545235864 /nfs/dbraw/zinc/23/58/64/545235864.db2.gz APMCBPZCEBXIOH-AWEZNQCLSA-N 1 1 258.325 0.872 50 0 CCAAMO COCC[N@H+]1CC[C@H](CNC(=O)Cc2ccncc2)C1 ZINC000670457706 545236426 /nfs/dbraw/zinc/23/64/26/545236426.db2.gz MOKUTFQDFPUTOW-CQSZACIVSA-N 1 1 277.368 0.709 50 0 CCAAMO Cc1c[nH]c(C[N@H+]2CCC[C@H](c3nnc(CO)n3C)C2)n1 ZINC000670461326 545236614 /nfs/dbraw/zinc/23/66/14/545236614.db2.gz YRDGDHLBLIKKIG-NSHDSACASA-N 1 1 290.371 0.719 50 0 CCAAMO Cc1c[nH]c(C[N@@H+]2CCC[C@H](c3nnc(CO)n3C)C2)n1 ZINC000670461326 545236615 /nfs/dbraw/zinc/23/66/15/545236615.db2.gz YRDGDHLBLIKKIG-NSHDSACASA-N 1 1 290.371 0.719 50 0 CCAAMO Cc1cccc(CC[N@@H+]2CCO[C@H](C(=O)N(C)C)C2)n1 ZINC000670467148 545237018 /nfs/dbraw/zinc/23/70/18/545237018.db2.gz PDMAFGGCIUQPIS-AWEZNQCLSA-N 1 1 277.368 0.722 50 0 CCAAMO Cc1cccc(CC[N@H+]2CCO[C@H](C(=O)N(C)C)C2)n1 ZINC000670467148 545237019 /nfs/dbraw/zinc/23/70/19/545237019.db2.gz PDMAFGGCIUQPIS-AWEZNQCLSA-N 1 1 277.368 0.722 50 0 CCAAMO C[C@@H](CN1CCN(C)CC1)[NH2+]CCc1nccs1 ZINC000670472082 545237158 /nfs/dbraw/zinc/23/71/58/545237158.db2.gz HVGUWUKRGPHALU-LBPRGKRZSA-N 1 1 268.430 0.911 50 0 CCAAMO CCCc1cc(CNC(=O)CN2CCC[N@@H+](C)CC2)on1 ZINC000220567441 528599216 /nfs/dbraw/zinc/59/92/16/528599216.db2.gz SGKIXONFGMKSQP-UHFFFAOYSA-N 1 1 294.399 0.881 50 0 CCAAMO N[C@@H]1CC[C@H]([C@H]2CC[C@H](C(F)(F)F)NC2)[NH2+]C1 ZINC000757214575 581689034 /nfs/dbraw/zinc/68/90/34/581689034.db2.gz MPTXXDGECNEHEO-SGIHWFKDSA-N 1 1 251.296 0.996 50 0 CCAAMO CS(=O)(=O)Nc1ccc([C@@H]2C[NH2+]C[C@H](N)C2)cc1 ZINC000757216235 581699061 /nfs/dbraw/zinc/69/90/61/581699061.db2.gz 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348020372 /nfs/dbraw/zinc/02/03/72/348020372.db2.gz UIONDECSXPNNAV-UHFFFAOYSA-N 1 1 289.379 0.983 50 0 CCAAMO C[NH+]1CCN(C(=O)COC(=O)c2ccccc2N)CC1 ZINC000019798701 348070678 /nfs/dbraw/zinc/07/06/78/348070678.db2.gz HBMDELCSMKPJKE-UHFFFAOYSA-N 1 1 277.324 0.200 50 0 CCAAMO COCC[NH+]1CCN([C@@H](C)C(=O)Nc2cc(C)on2)CC1 ZINC000019368168 348060995 /nfs/dbraw/zinc/06/09/95/348060995.db2.gz ZMMBGTRNADNMLD-LBPRGKRZSA-N 1 1 296.371 0.574 50 0 CCAAMO C[C@H](CNC(=O)c1ccc(=O)[nH]n1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000029879833 348116253 /nfs/dbraw/zinc/11/62/53/348116253.db2.gz YRXCJLHLQVRPCK-GMTAPVOTSA-N 1 1 294.355 0.410 50 0 CCAAMO CC(C)[C@](O)(C(=O)O[C@@H]1CC[N@H+]2CCC[C@@H]12)[C@@H](C)O ZINC000022034205 348080699 /nfs/dbraw/zinc/08/06/99/348080699.db2.gz JMQIGMSZSFQWEH-GFQSEFKGSA-N 1 1 271.357 0.534 50 0 CCAAMO CNc1nc(N2CC[NH+](CCO)CC2)nc2ccccc21 ZINC000041146787 348248744 /nfs/dbraw/zinc/24/87/44/348248744.db2.gz CAGLVYZLZPCNAW-UHFFFAOYSA-N 1 1 287.367 0.786 50 0 CCAAMO CC(C)[C@](O)(C(=O)O[C@@H]1CC[N@H+]2CCC[C@H]12)[C@@H](C)O ZINC000043161939 348305854 /nfs/dbraw/zinc/30/58/54/348305854.db2.gz JMQIGMSZSFQWEH-HKUMRIAESA-N 1 1 271.357 0.534 50 0 CCAAMO C[C@@H](O)C(=O)N1CCN(CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000346171485 137270789 /nfs/dbraw/zinc/27/07/89/137270789.db2.gz RYSWHCOWNGJKKR-KGLIPLIRSA-N 1 1 283.416 0.386 50 0 CCAAMO OCCN1CC[NH+](CCOCCOc2ccccc2)CC1 ZINC000051210507 348487100 /nfs/dbraw/zinc/48/71/00/348487100.db2.gz GXDKPSXATBOAFF-UHFFFAOYSA-N 1 1 294.395 0.692 50 0 CCAAMO O=c1cc(C[N@@H+]2CC[C@H](CO)C2)nc2ccccn12 ZINC000051887696 348499640 /nfs/dbraw/zinc/49/96/40/348499640.db2.gz JAANDFIZXKWNOX-NSHDSACASA-N 1 1 259.309 0.509 50 0 CCAAMO CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C(=O)OCC)C1 ZINC000055421870 348577464 /nfs/dbraw/zinc/57/74/64/348577464.db2.gz IXFKDHTYCDIYLF-MNOVXSKESA-N 1 1 299.371 0.496 50 0 CCAAMO CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](C(=O)OCC)C1 ZINC000055421870 348577467 /nfs/dbraw/zinc/57/74/67/348577467.db2.gz 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821628922 /nfs/dbraw/zinc/62/89/22/821628922.db2.gz MZHUBKFYZYOSQQ-CQSZACIVSA-N 1 1 286.416 0.835 50 0 CCAAMO c1nc(CCC[NH+]2CCOCC2)n(-c2cccnc2)n1 ZINC000827603717 821682337 /nfs/dbraw/zinc/68/23/37/821682337.db2.gz AUXSGTWOQHGSCM-UHFFFAOYSA-N 1 1 273.340 0.927 50 0 CCAAMO C(CN1CCOCC1)N1[C@@H]2CC[C@H]1[C@H]1C[NH2+]C[C@H]12 ZINC000827603730 821682554 /nfs/dbraw/zinc/68/25/54/821682554.db2.gz GUPVHVSIDIZFTM-KPWCQOOUSA-N 1 1 251.374 0.001 50 0 CCAAMO CN(C)C(=O)NCC(=O)N(C)C[C@@H]1CC[N@@H+](C)C1(C)C ZINC000827881257 821703728 /nfs/dbraw/zinc/70/37/28/821703728.db2.gz TZKCBLARLAPEOR-NSHDSACASA-N 1 1 284.404 0.446 50 0 CCAAMO Cc1nonc1CC(=O)NCCC[N@H+]1CCCC[C@@H]1CO ZINC000828710813 821810389 /nfs/dbraw/zinc/81/03/89/821810389.db2.gz JEGVIBAMPZNXKK-GFCCVEGCSA-N 1 1 296.371 0.274 50 0 CCAAMO C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C(N)=O)cc1 ZINC000585080859 839578657 /nfs/dbraw/zinc/57/86/57/839578657.db2.gz XCNPIDUKPXJXTA-GDNZZTSVSA-N 1 1 259.309 0.075 50 0 CCAAMO C[C@H]1CN(C(=O)C[N@@H+](C)CCCn2ccnc2)C[C@H](C)O1 ZINC000095977333 185051985 /nfs/dbraw/zinc/05/19/85/185051985.db2.gz HJQUWLSHHRYQOP-KBPBESRZSA-N 1 1 294.399 0.841 50 0 CCAAMO Cn1c(CN2CCN(C)CC2)nnc1C1CC[NH+](C)CC1 ZINC000096140121 185105293 /nfs/dbraw/zinc/10/52/93/185105293.db2.gz ZJZIPLGTXFALHF-UHFFFAOYSA-N 1 1 292.431 0.372 50 0 CCAAMO Cc1nnc(CCNC(=O)CC[C@H]2CCC[N@H+](C)C2)[nH]1 ZINC000095369776 349603990 /nfs/dbraw/zinc/60/39/90/349603990.db2.gz SRNIVCCVEIGPAJ-GFCCVEGCSA-N 1 1 279.388 0.894 50 0 CCAAMO Cc1n[nH]c(CCNC(=O)CC[C@H]2CCC[N@@H+](C)C2)n1 ZINC000095369776 349603992 /nfs/dbraw/zinc/60/39/92/349603992.db2.gz SRNIVCCVEIGPAJ-GFCCVEGCSA-N 1 1 279.388 0.894 50 0 CCAAMO Cc1n[nH]c(CCNC(=O)CC[C@H]2CCC[N@H+](C)C2)n1 ZINC000095369776 349603994 /nfs/dbraw/zinc/60/39/94/349603994.db2.gz SRNIVCCVEIGPAJ-GFCCVEGCSA-N 1 1 279.388 0.894 50 0 CCAAMO COCC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1cc[nH]n1)C2 ZINC000095366884 349604074 /nfs/dbraw/zinc/60/40/74/349604074.db2.gz FYKJEMSRRXSHQG-VXGBXAGGSA-N 1 1 278.356 0.593 50 0 CCAAMO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1ccn[nH]1)C2 ZINC000095366884 349604075 /nfs/dbraw/zinc/60/40/75/349604075.db2.gz FYKJEMSRRXSHQG-VXGBXAGGSA-N 1 1 278.356 0.593 50 0 CCAAMO COCC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1ccn[nH]1)C2 ZINC000095366884 349604077 /nfs/dbraw/zinc/60/40/77/349604077.db2.gz FYKJEMSRRXSHQG-VXGBXAGGSA-N 1 1 278.356 0.593 50 0 CCAAMO CN(CC1CCC1)C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000095395176 349607310 /nfs/dbraw/zinc/60/73/10/349607310.db2.gz DGQSTMXCCFMRQM-CYBMUJFWSA-N 1 1 296.415 0.768 50 0 CCAAMO COC(=O)[C@]12CCC[C@@H]1C[N@@H+](CC(=O)NC1CC1)C2 ZINC000097082986 349626973 /nfs/dbraw/zinc/62/69/73/349626973.db2.gz OJARMSNEUAHLQN-YGRLFVJLSA-N 1 1 266.341 0.540 50 0 CCAAMO CCN(C1CC[NH+](CC(OC)OC)CC1)S(C)(=O)=O ZINC000097095462 349627598 /nfs/dbraw/zinc/62/75/98/349627598.db2.gz MYNUTMNFIBQCQH-UHFFFAOYSA-N 1 1 294.417 0.351 50 0 CCAAMO COC(=O)c1cc(C[NH2+]C2(C(N)=O)CC2)c(C)s1 ZINC000097373836 349639016 /nfs/dbraw/zinc/63/90/16/349639016.db2.gz PCSLCNVDMYWKLD-UHFFFAOYSA-N 1 1 268.338 0.951 50 0 CCAAMO Cc1cc(N2CC[N@H+](C)[C@@]3(C2)CCNC(=O)CC3)ncn1 ZINC000107656415 349740174 /nfs/dbraw/zinc/74/01/74/349740174.db2.gz ZRLUUEXLWKFBOF-OAHLLOKOSA-N 1 1 289.383 0.576 50 0 CCAAMO Cc1nc(C)n(C[C@H]2CCC[N@@H+]([C@H]3CCOC3=O)C2)n1 ZINC000106783204 349732185 /nfs/dbraw/zinc/73/21/85/349732185.db2.gz DLMXBMDBBGTKIB-STQMWFEESA-N 1 1 278.356 0.922 50 0 CCAAMO Cc1nc(C)n(C[C@H]2CCC[N@H+]([C@H]3CCOC3=O)C2)n1 ZINC000106783204 349732188 /nfs/dbraw/zinc/73/21/88/349732188.db2.gz DLMXBMDBBGTKIB-STQMWFEESA-N 1 1 278.356 0.922 50 0 CCAAMO C[C@H](CCc1ccccc1)[N@@H+](C[C@@H](O)CO)C[C@H](O)CO ZINC000006201935 348004742 /nfs/dbraw/zinc/00/47/42/348004742.db2.gz PDMNKRKXSRNWIZ-BMFZPTHFSA-N 1 1 297.395 0.016 50 0 CCAAMO Cc1cccc(C(=O)NC2CC[NH+](CC(N)=O)CC2)c1 ZINC000012824804 348022568 /nfs/dbraw/zinc/02/25/68/348022568.db2.gz QZBCJYXYSDFYFI-UHFFFAOYSA-N 1 1 275.352 0.675 50 0 CCAAMO CCS(=O)(=O)N1CCC([N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000013839460 348031704 /nfs/dbraw/zinc/03/17/04/348031704.db2.gz FLAJIZPBFMFWBO-TXEJJXNPSA-N 1 1 290.429 0.910 50 0 CCAAMO CCS(=O)(=O)N1CCC([N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000013839460 348031708 /nfs/dbraw/zinc/03/17/08/348031708.db2.gz FLAJIZPBFMFWBO-TXEJJXNPSA-N 1 1 290.429 0.910 50 0 CCAAMO NC(=O)NC(=O)CN1CCC[N@@H+](Cc2cccs2)CC1 ZINC000030210498 348117829 /nfs/dbraw/zinc/11/78/29/348117829.db2.gz FTFGMNZLLLRPIA-UHFFFAOYSA-N 1 1 296.396 0.451 50 0 CCAAMO CC(=O)c1ccc(N2CC[NH+](CCC(N)=O)CC2)nc1 ZINC000032593074 348135128 /nfs/dbraw/zinc/13/51/28/348135128.db2.gz TWLZYXOZZIFANF-UHFFFAOYSA-N 1 1 276.340 0.282 50 0 CCAAMO O=S(=O)(NC1CC[NH2+]CC1)c1c(F)cccc1F ZINC000036286280 348164253 /nfs/dbraw/zinc/16/42/53/348164253.db2.gz NJZCARMCXZPPDG-UHFFFAOYSA-N 1 1 276.308 0.995 50 0 CCAAMO O=S(=O)(c1cccc(Cl)c1)N1CC[NH2+]CC1 ZINC000036352078 348165982 /nfs/dbraw/zinc/16/59/82/348165982.db2.gz BLZOIBGTCWDWIL-UHFFFAOYSA-N 1 1 260.746 0.934 50 0 CCAAMO COCC[N@@H+](C)CCCNC(=O)c1cnn(C)c1 ZINC000041967309 348263240 /nfs/dbraw/zinc/26/32/40/348263240.db2.gz FCCZDOAJNOJHDZ-UHFFFAOYSA-N 1 1 254.334 0.118 50 0 CCAAMO COCC[N@H+](Cc1ccc(C)cc1)C[C@H](O)CO ZINC000055342098 348576209 /nfs/dbraw/zinc/57/62/09/348576209.db2.gz VLKKNGJSHZWGSP-AWEZNQCLSA-N 1 1 253.342 0.797 50 0 CCAAMO CC[N@@H+](C)CCNC(=O)[C@H]1CC(=O)N(C(C)C)C1 ZINC000065407655 348714288 /nfs/dbraw/zinc/71/42/88/348714288.db2.gz NHIXPXLLUMIDRB-NSHDSACASA-N 1 1 255.362 0.311 50 0 CCAAMO Cc1cc(N2C[C@H]3CC[C@@H](C2)[NH2+]3)nc(N2CCOCC2)n1 ZINC000065406556 348714338 /nfs/dbraw/zinc/71/43/38/348714338.db2.gz KGKXYTCPPLXVGG-BETUJISGSA-N 1 1 289.383 0.562 50 0 CCAAMO C[N@H+]1C[C@H](NC(=O)/C=C/c2ccccc2)C[C@H]1CO ZINC000065421484 348715804 /nfs/dbraw/zinc/71/58/04/348715804.db2.gz CABQXKGSLJZKPV-NCRJZKAISA-N 1 1 260.337 0.881 50 0 CCAAMO CCC(CC)C(=O)N1CCN=C1N1CC[NH+](C)CC1 ZINC000064677754 348703540 /nfs/dbraw/zinc/70/35/40/348703540.db2.gz NYSOUROCEBAJPF-UHFFFAOYSA-N 1 1 266.389 0.868 50 0 CCAAMO O=C(Cc1ccccc1)[C@H]1CCC[N@H+](C(CO)CO)C1 ZINC000065376191 348711644 /nfs/dbraw/zinc/71/16/44/348711644.db2.gz OSHLYQVPZYOAIY-AWEZNQCLSA-N 1 1 277.364 0.863 50 0 CCAAMO C[C@@H](C(=O)N(C)C)[N@@H+](C)CC(C)(C)N1CCOCC1 ZINC000067513496 348776945 /nfs/dbraw/zinc/77/69/45/348776945.db2.gz FBHHTMUXCPAFJR-LBPRGKRZSA-N 1 1 271.405 0.506 50 0 CCAAMO CCc1ccccc1OC1CN(C(=O)[C@@H]2C[C@@H](N)C[NH2+]2)C1 ZINC000067725744 348783381 /nfs/dbraw/zinc/78/33/81/348783381.db2.gz RJDLERVQTGMLMX-OCCSQVGLSA-N 1 1 289.379 0.528 50 0 CCAAMO COCC[NH+]1CCN([C@H](C)c2nnc(C)o2)CC1 ZINC000069652360 348856659 /nfs/dbraw/zinc/85/66/59/348856659.db2.gz VSNDYYMIOIGXIG-SNVBAGLBSA-N 1 1 254.334 0.703 50 0 CCAAMO CC[C@@H]1CN([C@@H]2CCOC2=O)CC[N@H+]1CCOC ZINC000069842176 348863187 /nfs/dbraw/zinc/86/31/87/348863187.db2.gz UHIUFGNBIZVZLH-VXGBXAGGSA-N 1 1 256.346 0.345 50 0 CCAAMO COC[C@@H](C)[NH+]1CCN(c2nccc(OC)n2)CC1 ZINC000069900183 348865131 /nfs/dbraw/zinc/86/51/31/348865131.db2.gz DPNFLJJVSQOOJO-LLVKDONJSA-N 1 1 266.345 0.642 50 0 CCAAMO CC[C@@H](O)C[NH+]1CCN(C(=O)C[C@H](C)OC)CC1 ZINC000069950954 348867923 /nfs/dbraw/zinc/86/79/23/348867923.db2.gz DGTTYMBHYWSJSS-NWDGAFQWSA-N 1 1 258.362 0.327 50 0 CCAAMO CCOC[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2CC=CCC2)CC1 ZINC000070016108 348870046 /nfs/dbraw/zinc/87/00/46/348870046.db2.gz WLRMLKZSGYYYIV-CABCVRRESA-N 1 1 296.411 0.884 50 0 CCAAMO Cc1nnc2n1CC[N@@H+](CCC(=O)N1CCCCC1)C2 ZINC000072253002 348917010 /nfs/dbraw/zinc/91/70/10/348917010.db2.gz ODLVNKFJCXEFQS-UHFFFAOYSA-N 1 1 277.372 0.805 50 0 CCAAMO Cc1nnc2n1CC[N@H+](CCC(=O)N1CCCCC1)C2 ZINC000072253002 348917012 /nfs/dbraw/zinc/91/70/12/348917012.db2.gz ODLVNKFJCXEFQS-UHFFFAOYSA-N 1 1 277.372 0.805 50 0 CCAAMO CSC[C@H]1CC[N@@H+](CCCNS(C)(=O)=O)C1 ZINC000072292493 348920464 /nfs/dbraw/zinc/92/04/64/348920464.db2.gz NNTVLQFLJDHCHB-JTQLQIEISA-N 1 1 266.432 0.611 50 0 CCAAMO CC(C)(C)CC(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000076092233 349069110 /nfs/dbraw/zinc/06/91/10/349069110.db2.gz WXTLSSXHCUTCDV-AWEZNQCLSA-N 1 1 272.389 0.622 50 0 CCAAMO Cc1cnn(CC(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)c1 ZINC000076052542 349066642 /nfs/dbraw/zinc/06/66/42/349066642.db2.gz KSJDPOCEGVEUJY-KGLIPLIRSA-N 1 1 292.383 0.371 50 0 CCAAMO CCn1cc(C(=O)N2CCN(c3[nH+]ccn3C)CC2)cn1 ZINC000076083743 349068213 /nfs/dbraw/zinc/06/82/13/349068213.db2.gz STSKXVVNYWVZAI-UHFFFAOYSA-N 1 1 288.355 0.599 50 0 CCAAMO CC[C@H]1CN(C(=O)CCn2cnnn2)CC[N@H+]1C(C)C ZINC000082138272 349291135 /nfs/dbraw/zinc/29/11/35/349291135.db2.gz JMBLBPAQJOBQBV-LBPRGKRZSA-N 1 1 280.376 0.394 50 0 CCAAMO CC(C)CNC(=O)CN1CCN(c2[nH+]ccn2C)CC1 ZINC000089840241 349409208 /nfs/dbraw/zinc/40/92/08/349409208.db2.gz CSLHQKFXRRENSK-UHFFFAOYSA-N 1 1 279.388 0.314 50 0 CCAAMO Cn1ncnc1C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000089661900 349398749 /nfs/dbraw/zinc/39/87/49/349398749.db2.gz RAWQHPZONABJSQ-JTQLQIEISA-N 1 1 281.360 0.914 50 0 CCAAMO COC(=O)CCNC(=O)CC[N@@H+](C)Cc1cnc(C)s1 ZINC000089730074 349403079 /nfs/dbraw/zinc/40/30/79/349403079.db2.gz FQZIHFPSCRKADL-UHFFFAOYSA-N 1 1 299.396 0.953 50 0 CCAAMO COC(=O)[C@@]1(C)CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC000089869442 349409537 /nfs/dbraw/zinc/40/95/37/349409537.db2.gz XIBCRPOHTXLORH-ZDUSSCGKSA-N 1 1 256.346 0.738 50 0 CCAAMO CCn1cnnc1CNC(=O)N1CCC[N@@H+](C)CC1 ZINC000089310105 349381476 /nfs/dbraw/zinc/38/14/76/349381476.db2.gz LYGKMLFCMNNDSG-UHFFFAOYSA-N 1 1 266.349 0.145 50 0 CCAAMO C[C@@H]1C[N@@H+](CC(=O)NCc2ccccn2)C[C@]1(C)O ZINC000091677902 180225402 /nfs/dbraw/zinc/22/54/02/180225402.db2.gz CVOXQIRXSFXBQB-RISCZKNCSA-N 1 1 263.341 0.401 50 0 CCAAMO CC[N@@H+](C)C[C@@H]1CN(C(=O)c2cccnc2)C[C@@H]1CO ZINC000091794483 180258063 /nfs/dbraw/zinc/25/80/63/180258063.db2.gz AYBIYMLEUTUTPU-ZIAGYGMSSA-N 1 1 277.368 0.714 50 0 CCAAMO Cc1ccc(OCC[N@@H+]2C[C@H](O)C[C@H]2C(N)=O)cc1 ZINC000106552751 186126063 /nfs/dbraw/zinc/12/60/63/186126063.db2.gz KKJYFNPBWHOFPK-YPMHNXCESA-N 1 1 264.325 0.294 50 0 CCAAMO Cc1ccc(OCC[N@H+]2C[C@H](O)C[C@H]2C(N)=O)cc1 ZINC000106552751 186126064 /nfs/dbraw/zinc/12/60/64/186126064.db2.gz KKJYFNPBWHOFPK-YPMHNXCESA-N 1 1 264.325 0.294 50 0 CCAAMO C[C@H](CNC(=O)CCn1cncn1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000106560041 186127729 /nfs/dbraw/zinc/12/77/29/186127729.db2.gz ZJUJSSNDXWHVQN-UPJWGTAASA-N 1 1 295.387 0.282 50 0 CCAAMO C[C@H](CNC(=O)CCn1cncn1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000106560041 186127730 /nfs/dbraw/zinc/12/77/30/186127730.db2.gz ZJUJSSNDXWHVQN-UPJWGTAASA-N 1 1 295.387 0.282 50 0 CCAAMO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H]2CNCCO2)cc1 ZINC000152004767 350515672 /nfs/dbraw/zinc/51/56/72/350515672.db2.gz LKLNWNSZDHWHBD-GJZGRUSLSA-N 1 1 291.395 0.914 50 0 CCAAMO CC(C)[N@H+]1CCN(Cc2ccon2)C[C@H]1CCO ZINC000106989365 186155481 /nfs/dbraw/zinc/15/54/81/186155481.db2.gz UNJLSJLTEKKHJS-CYBMUJFWSA-N 1 1 253.346 0.952 50 0 CCAAMO CNC(=O)[C@@H]1C[N@@H+](C[Si](C)(C)c2ccccc2)CCO1 ZINC000170607519 350847402 /nfs/dbraw/zinc/84/74/02/350847402.db2.gz MJJMJQASNJOIKY-AWEZNQCLSA-N 1 1 292.455 0.588 50 0 CCAAMO O=C(C[NH2+]C1CC1)N1CCN(CC2CCOCC2)CC1 ZINC000178925717 351253393 /nfs/dbraw/zinc/25/33/93/351253393.db2.gz WPFAMRBLLAGXTL-UHFFFAOYSA-N 1 1 281.400 0.309 50 0 CCAAMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(C)(C)OC)CC1 ZINC000179395981 351266243 /nfs/dbraw/zinc/26/62/43/351266243.db2.gz YJYLMGDIQGEVQX-NSHDSACASA-N 1 1 258.362 0.327 50 0 CCAAMO Cc1nn[nH]c1C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000194306874 351863151 /nfs/dbraw/zinc/86/31/51/351863151.db2.gz OIASIJUZESIQSZ-NSHDSACASA-N 1 1 265.361 0.821 50 0 CCAAMO COC[C@@H]1CCC[N@H+]1Cc1cn(CCO)nc1C ZINC000215726207 351937409 /nfs/dbraw/zinc/93/74/09/351937409.db2.gz CLHYSWSHZJUGPK-ZDUSSCGKSA-N 1 1 253.346 0.795 50 0 CCAAMO c1nc2c(ncnc2N2CC[NH+](C[C@H]3CCOC3)CC2)[nH]1 ZINC000216504388 351942455 /nfs/dbraw/zinc/94/24/55/351942455.db2.gz ZLXGFFSVKKZRNO-LLVKDONJSA-N 1 1 288.355 0.511 50 0 CCAAMO CCc1ccccc1NC(=O)C[N@@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000225572577 352009303 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COc1cccc(CCC[N@H+]2C[C@H](O)C[C@H]2C(N)=O)c1 ZINC000252477305 352515764 /nfs/dbraw/zinc/51/57/64/352515764.db2.gz LRRWUOCCPKTEIU-OCCSQVGLSA-N 1 1 278.352 0.548 50 0 CCAAMO CN(CC(N)=O)C[C@@H]1C[N@@H+]([C@@H]2C=CCCC2)CCO1 ZINC000253398438 352533221 /nfs/dbraw/zinc/53/32/21/352533221.db2.gz QUGLVFIXOJZQIS-CHWSQXEVSA-N 1 1 267.373 0.213 50 0 CCAAMO CN(CC(N)=O)C[C@@H]1C[N@H+]([C@@H]2C=CCCC2)CCO1 ZINC000253398438 352533224 /nfs/dbraw/zinc/53/32/24/352533224.db2.gz QUGLVFIXOJZQIS-CHWSQXEVSA-N 1 1 267.373 0.213 50 0 CCAAMO CC(=O)N1CCN([C@@H]2C[N@H+](C[C@@H]3CCCO3)C[C@H]2C)CC1 ZINC000257366275 352553946 /nfs/dbraw/zinc/55/39/46/352553946.db2.gz QETRANVCDIKPDR-VNQPRFMTSA-N 1 1 295.427 0.650 50 0 CCAAMO COc1ccc(F)c(C[NH2+]CCS(C)(=O)=O)c1 ZINC000293441133 353812415 /nfs/dbraw/zinc/81/24/15/353812415.db2.gz BYPRWVGCFYHXLE-UHFFFAOYSA-N 1 1 261.318 0.969 50 0 CCAAMO O[C@@]12CCOC[C@@H]1C[N@@H+](Cc1cc[nH]n1)[C@H]1CCOC[C@H]12 ZINC000299791479 354052862 /nfs/dbraw/zinc/05/28/62/354052862.db2.gz DCJORAMRBBXEGJ-ATGSNQNLSA-N 1 1 293.367 0.398 50 0 CCAAMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NS(=O)(=O)N1CCCCC1 ZINC000330122952 354296499 /nfs/dbraw/zinc/29/64/99/354296499.db2.gz BZDPFQXJFVHRJM-YPMHNXCESA-N 1 1 287.429 0.789 50 0 CCAAMO C[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@@H](C2CC2)O1 ZINC000329902314 354271544 /nfs/dbraw/zinc/27/15/44/354271544.db2.gz PHEOMHKFQPRMKA-XBFCOCLRSA-N 1 1 265.357 0.743 50 0 CCAAMO Cc1cc(C(=O)N2CC(n3cc[nH+]c3C)C2)n(C)n1 ZINC000409420718 358111447 /nfs/dbraw/zinc/11/14/47/358111447.db2.gz CVAMJSFCJATRFO-UHFFFAOYSA-N 1 1 259.313 0.931 50 0 CCAAMO Cc1ccc([C@@H](C(=O)N2CCCNC(=O)C2)[NH+](C)C)cc1 ZINC000584885324 359225403 /nfs/dbraw/zinc/22/54/03/359225403.db2.gz QMJNJJOCPZAFRU-HNNXBMFYSA-N 1 1 289.379 0.946 50 0 CCAAMO O=C(NCC[N@@H+]1CCC[C@H](CO)C1)c1c(O)cccc1O ZINC000584887577 359226649 /nfs/dbraw/zinc/22/66/49/359226649.db2.gz GHNHONGJIYWIAR-NSHDSACASA-N 1 1 294.351 0.532 50 0 CCAAMO CN1CC[N@H+](C)C[C@H]1Cn1cnc2cccc(F)c2c1=O ZINC000584887758 359228506 /nfs/dbraw/zinc/22/85/06/359228506.db2.gz IFRHPUJACAPLQR-NSHDSACASA-N 1 1 290.342 0.781 50 0 CCAAMO CN1CC[N@@H+](C)C[C@H]1Cn1cnc2cccc(F)c2c1=O ZINC000584887758 359228512 /nfs/dbraw/zinc/22/85/12/359228512.db2.gz IFRHPUJACAPLQR-NSHDSACASA-N 1 1 290.342 0.781 50 0 CCAAMO CC[C@@]1(O)CCCN(C(=O)CN2CCC[N@@H+](C)CC2)C1 ZINC000584892760 359233468 /nfs/dbraw/zinc/23/34/68/359233468.db2.gz XFYZXDVICRNBJH-OAHLLOKOSA-N 1 1 283.416 0.387 50 0 CCAAMO CN(C[C@H]1CCC[N@@H+](CCO)C1)C(=O)c1cncnc1 ZINC000584893732 359234509 /nfs/dbraw/zinc/23/45/09/359234509.db2.gz JEVQKPKWLNHDLZ-GFCCVEGCSA-N 1 1 278.356 0.253 50 0 CCAAMO CC[N@H+]1CC[C@@H](CN(C)C(=O)CN(C)CCOC)C1 ZINC000584884671 359224289 /nfs/dbraw/zinc/22/42/89/359224289.db2.gz QXXYIYDHDRGQJS-ZDUSSCGKSA-N 1 1 271.405 0.365 50 0 CCAAMO C[N@H+]1CCN(Cc2ccc3nonc3c2)C[C@@H]1CCO ZINC000023231548 388802873 /nfs/dbraw/zinc/80/28/73/388802873.db2.gz ZFMQHSCKYDSYDG-LBPRGKRZSA-N 1 1 276.340 0.721 50 0 CCAAMO Cc1csc(C(C)(C)[NH2+]CCNS(C)(=O)=O)n1 ZINC000072663090 388967737 /nfs/dbraw/zinc/96/77/37/388967737.db2.gz HOEODGDMUFXPCU-UHFFFAOYSA-N 1 1 277.415 0.825 50 0 CCAAMO CC(=O)N1CCC(C(=O)NCC[N@H+](C)C2CC2)CC1 ZINC000065437531 388943450 /nfs/dbraw/zinc/94/34/50/388943450.db2.gz LRDPFZQNUPOVHF-UHFFFAOYSA-N 1 1 267.373 0.455 50 0 CCAAMO CCS(=O)(=O)NCC[N@@H+]1CCc2ccccc2[C@H]1CO ZINC000079075039 388993900 /nfs/dbraw/zinc/99/39/00/388993900.db2.gz MGMWLVYNTWHOPK-CQSZACIVSA-N 1 1 298.408 0.517 50 0 CCAAMO CCS(=O)(=O)NCC[N@H+]1CCc2ccccc2[C@H]1CO ZINC000079075039 388993902 /nfs/dbraw/zinc/99/39/02/388993902.db2.gz MGMWLVYNTWHOPK-CQSZACIVSA-N 1 1 298.408 0.517 50 0 CCAAMO COC(=O)CC[N@H+](Cc1cnn(C)c1)C[C@@H]1CCCO1 ZINC000079354496 388995310 /nfs/dbraw/zinc/99/53/10/388995310.db2.gz ZCSHQVIRDVWBHV-ZDUSSCGKSA-N 1 1 281.356 0.964 50 0 CCAAMO NC(=O)NC1CC[NH+](CC[S@@](=O)c2ccccc2)CC1 ZINC000079466540 388996880 /nfs/dbraw/zinc/99/68/80/388996880.db2.gz HFWVTWNHCYGATR-FQEVSTJZSA-N 1 1 295.408 0.927 50 0 CCAAMO C[C@@H](C(N)=O)[N@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000229433567 389155496 /nfs/dbraw/zinc/15/54/96/389155496.db2.gz SPZDGMWEMMYXPR-GXSJLCMTSA-N 1 1 253.346 0.098 50 0 CCAAMO O=C(NC[C@@H]1CCCC[N@@H+]1CCO)[C@H]1CCCOC1 ZINC000408519920 389373187 /nfs/dbraw/zinc/37/31/87/389373187.db2.gz RKBQXXZDCPWLGD-STQMWFEESA-N 1 1 270.373 0.376 50 0 CCAAMO C=CC(=O)NC1CC[NH+](CC(=O)NC(C)C)CC1 ZINC000408525867 389375369 /nfs/dbraw/zinc/37/53/69/389375369.db2.gz ASSGNOSNIGURLL-UHFFFAOYSA-N 1 1 253.346 0.278 50 0 CCAAMO C[N@@H+]1C[C@H]2CN(C(=O)c3ccnn3CC(F)F)C[C@H]2C1 ZINC000280096779 389598097 /nfs/dbraw/zinc/59/80/97/389598097.db2.gz MCDAXAUJVPSGQR-AOOOYVTPSA-N 1 1 284.310 0.782 50 0 CCAAMO COc1ncc(C(=O)N(C)[C@H]2CC[N@@H+](C)C2)cn1 ZINC000426493206 389669498 /nfs/dbraw/zinc/66/94/98/389669498.db2.gz OYYMXOGPMFTWPV-JTQLQIEISA-N 1 1 250.302 0.261 50 0 CCAAMO C[NH+]1CCC(C)(C(=O)NCCc2c[nH]nn2)CC1 ZINC000426739103 389678275 /nfs/dbraw/zinc/67/82/75/389678275.db2.gz TZDXDNCRTXFNNY-UHFFFAOYSA-N 1 1 251.334 0.195 50 0 CCAAMO C[NH+]1CCC(C)(C(=O)NCCc2cnn[nH]2)CC1 ZINC000426739103 389678276 /nfs/dbraw/zinc/67/82/76/389678276.db2.gz TZDXDNCRTXFNNY-UHFFFAOYSA-N 1 1 251.334 0.195 50 0 CCAAMO [NH3+]CCc1ccc(C(=O)NCCCc2nn[nH]n2)cc1 ZINC000392516023 389774870 /nfs/dbraw/zinc/77/48/70/389774870.db2.gz NBDXXKDCBGQRFU-UHFFFAOYSA-N 1 1 274.328 0.064 50 0 CCAAMO CC[N@@H+]1CC[C@@H]2[C@H](C1)OCCN2S(=O)(=O)C1CC1 ZINC000252485397 285381602 /nfs/dbraw/zinc/38/16/02/285381602.db2.gz GTXMWJVXHKIYMF-NEPJUHHUSA-N 1 1 274.386 0.274 50 0 CCAAMO CC[N@H+]1CC[C@@H]2[C@H](C1)OCCN2S(=O)(=O)C1CC1 ZINC000252485397 285381603 /nfs/dbraw/zinc/38/16/03/285381603.db2.gz GTXMWJVXHKIYMF-NEPJUHHUSA-N 1 1 274.386 0.274 50 0 CCAAMO COc1cccc(C[N@H+]2CCC[C@@H]2CS(N)(=O)=O)c1 ZINC000096483338 533477237 /nfs/dbraw/zinc/47/72/37/533477237.db2.gz NKNCKBSGAAOKHC-GFCCVEGCSA-N 1 1 284.381 0.948 50 0 CCAAMO CC(C)CC(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000078963976 397398426 /nfs/dbraw/zinc/39/84/26/397398426.db2.gz GGXHYRRVTYZCMY-ZDUSSCGKSA-N 1 1 258.362 0.232 50 0 CCAAMO C[C@@H](O)C[N@H+]1CCN(CCC(=O)N2CCCCC2)C[C@H]1C ZINC000071864504 287094812 /nfs/dbraw/zinc/09/48/12/287094812.db2.gz GLMAICMRZJPMNM-HUUCEWRRSA-N 1 1 297.443 0.776 50 0 CCAAMO C[C@@H](O)CN1CC[N@H+](CCC(=O)N2CCCCC2)C[C@H]1C ZINC000071864504 287094813 /nfs/dbraw/zinc/09/48/13/287094813.db2.gz GLMAICMRZJPMNM-HUUCEWRRSA-N 1 1 297.443 0.776 50 0 CCAAMO C[C@@H](O)CN1CC[N@@H+](CCC(=O)N2CCCCC2)C[C@H]1C ZINC000071864504 287094814 /nfs/dbraw/zinc/09/48/14/287094814.db2.gz GLMAICMRZJPMNM-HUUCEWRRSA-N 1 1 297.443 0.776 50 0 CCAAMO Cc1cccc(OCC(=O)NN2CC[NH+](C)CC2)c1 ZINC000004699962 170001544 /nfs/dbraw/zinc/00/15/44/170001544.db2.gz FUNWPTYTENVWMG-UHFFFAOYSA-N 1 1 263.341 0.652 50 0 CCAAMO CC[C@@H](C)[C@H](NC(=O)N1CC[NH+](C)CC1)C(=O)OC ZINC000005217370 170077209 /nfs/dbraw/zinc/07/72/09/170077209.db2.gz GAFHIJNMCBKCME-MNOVXSKESA-N 1 1 271.361 0.531 50 0 CCAAMO CC(C)[C@@](O)(C(=O)OC[C@@H]1CC[N@H+]2CCC[C@@H]12)[C@H](C)O ZINC000005223071 170077527 /nfs/dbraw/zinc/07/75/27/170077527.db2.gz BWQSLRZZOVFVHJ-ABHRYQDASA-N 1 1 285.384 0.782 50 0 CCAAMO CN(Cc1ccsc1)C(=O)CN1CC[NH+](CCO)CC1 ZINC000048581601 411661119 /nfs/dbraw/zinc/66/11/19/411661119.db2.gz QRLIEFPEGQHBKQ-UHFFFAOYSA-N 1 1 297.424 0.316 50 0 CCAAMO Cc1cccc(C)c1OCCC[N@@H+]1C[C@@H](O)C[C@H]1C(N)=O ZINC000108079338 411700234 /nfs/dbraw/zinc/70/02/34/411700234.db2.gz VIEVREYNGIHTBH-KBPBESRZSA-N 1 1 292.379 0.993 50 0 CCAAMO Cc1cccc(C)c1OCCC[N@H+]1C[C@@H](O)C[C@H]1C(N)=O ZINC000108079338 411700237 /nfs/dbraw/zinc/70/02/37/411700237.db2.gz VIEVREYNGIHTBH-KBPBESRZSA-N 1 1 292.379 0.993 50 0 CCAAMO CCOC(=O)N1CC[C@H]([NH2+]Cc2nnc(N)s2)C1 ZINC000534636590 411828908 /nfs/dbraw/zinc/82/89/08/411828908.db2.gz MKSUZGVRNKFTKS-ZETCQYMHSA-N 1 1 271.346 0.441 50 0 CCAAMO CC(=O)N[C@@H]1C2CN3CC1(Cc1ccccc1)C[N@@H+](C2)CC3 ZINC000022241873 171381844 /nfs/dbraw/zinc/38/18/44/171381844.db2.gz PWVNCBNUNMABHD-LXPRWKDFSA-N 1 1 299.418 0.981 50 0 CCAAMO OCCOCC[NH+]1CCN(Cc2cccc(F)c2)CC1 ZINC000022595536 171393801 /nfs/dbraw/zinc/39/38/01/171393801.db2.gz ZTGTYWHUCDXFRO-UHFFFAOYSA-N 1 1 282.359 0.952 50 0 CCAAMO Cc1cnc(C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)cn1 ZINC000022693471 171396393 /nfs/dbraw/zinc/39/63/93/171396393.db2.gz KGMODALKKNFOEP-ZDUSSCGKSA-N 1 1 292.383 0.872 50 0 CCAAMO O=C(C[N@H+]1CCC[C@H](O)C1)NC(=O)NC1CCCCC1 ZINC000039490626 174168379 /nfs/dbraw/zinc/16/83/79/174168379.db2.gz ABOBMUXURUIASC-LBPRGKRZSA-N 1 1 283.372 0.602 50 0 CCAAMO O=C(C[N@@H+]1CCC[C@H](O)C1)NC(=O)NC1CCCCC1 ZINC000039490626 174168380 /nfs/dbraw/zinc/16/83/80/174168380.db2.gz ABOBMUXURUIASC-LBPRGKRZSA-N 1 1 283.372 0.602 50 0 CCAAMO O=C(C[N@H+]1CCC[C@@H](O)C1)NC(=O)NC1CCCCC1 ZINC000039490627 174168432 /nfs/dbraw/zinc/16/84/32/174168432.db2.gz ABOBMUXURUIASC-GFCCVEGCSA-N 1 1 283.372 0.602 50 0 CCAAMO O=C(C[N@@H+]1CCC[C@@H](O)C1)NC(=O)NC1CCCCC1 ZINC000039490627 174168433 /nfs/dbraw/zinc/16/84/33/174168433.db2.gz ABOBMUXURUIASC-GFCCVEGCSA-N 1 1 283.372 0.602 50 0 CCAAMO CCOCC[NH+]1CCN(Cc2nnc(CC)o2)CC1 ZINC000069627416 175843517 /nfs/dbraw/zinc/84/35/17/175843517.db2.gz GNTVACBYPLUIDQ-UHFFFAOYSA-N 1 1 268.361 0.786 50 0 CCAAMO Cn1cc([C@@H]2CCC[N@@H+]2CC(=O)NC2CCOCC2)cn1 ZINC000071797129 176264897 /nfs/dbraw/zinc/26/48/97/176264897.db2.gz PGUPEPDOTVNWID-AWEZNQCLSA-N 1 1 292.383 0.852 50 0 CCAAMO Cn1cc([C@@H]2CCC[N@H+]2CC(=O)NC2CCOCC2)cn1 ZINC000071797129 176264898 /nfs/dbraw/zinc/26/48/98/176264898.db2.gz PGUPEPDOTVNWID-AWEZNQCLSA-N 1 1 292.383 0.852 50 0 CCAAMO NS(=O)(=O)CCC[N@H+]1CCCC[C@@H]1Cn1cccn1 ZINC000071875332 176285112 /nfs/dbraw/zinc/28/51/12/176285112.db2.gz NOAFJLNPULDNOL-GFCCVEGCSA-N 1 1 286.401 0.416 50 0 CCAAMO c1ncn(C[C@@H]2C[N@H+](CCc3ccncc3)CCO2)n1 ZINC000072267551 176352363 /nfs/dbraw/zinc/35/23/63/176352363.db2.gz UACBNUWVVFWQEL-AWEZNQCLSA-N 1 1 273.340 0.617 50 0 CCAAMO c1ncn(C[C@@H]2C[N@@H+](CCc3ccncc3)CCO2)n1 ZINC000072267551 176352364 /nfs/dbraw/zinc/35/23/64/176352364.db2.gz UACBNUWVVFWQEL-AWEZNQCLSA-N 1 1 273.340 0.617 50 0 CCAAMO O=C(C[N@@H+]1CCc2ccccc2C1)N1CCOC[C@@H](O)C1 ZINC000077516242 177277039 /nfs/dbraw/zinc/27/70/39/177277039.db2.gz ACGOACISUFTDSB-HNNXBMFYSA-N 1 1 290.363 0.264 50 0 CCAAMO O=C(C[N@H+]1CCc2ccccc2C1)N1CCOC[C@@H](O)C1 ZINC000077516242 177277041 /nfs/dbraw/zinc/27/70/41/177277041.db2.gz ACGOACISUFTDSB-HNNXBMFYSA-N 1 1 290.363 0.264 50 0 CCAAMO CC[C@H]1CN(C(=O)C2=COCC2)C[C@@H]1[NH+]1CCOCC1 ZINC000084735676 544493862 /nfs/dbraw/zinc/49/38/62/544493862.db2.gz RVHBBAVQUDBSHL-JSGCOSHPSA-N 1 1 280.368 0.860 50 0 CCAAMO O=C(C[N@@H+]1CCC[C@H]1c1cccs1)N1CCNC(=O)C1 ZINC000024232377 260127060 /nfs/dbraw/zinc/12/70/60/260127060.db2.gz DCMLNFJZLSOUOJ-NSHDSACASA-N 1 1 293.392 0.843 50 0 CCAAMO O=C(C[N@H+]1CCC[C@H]1c1cccs1)N1CCNC(=O)C1 ZINC000024232377 260127061 /nfs/dbraw/zinc/12/70/61/260127061.db2.gz DCMLNFJZLSOUOJ-NSHDSACASA-N 1 1 293.392 0.843 50 0 CCAAMO COCC[N@@H+](Cc1nc2c(cnn2C)c(=O)[nH]1)CC(C)C ZINC000065427503 260242822 /nfs/dbraw/zinc/24/28/22/260242822.db2.gz FBOZWWJQWPMHLX-UHFFFAOYSA-N 1 1 293.371 0.761 50 0 CCAAMO 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BMOCRQNYMCTTLB-HNNXBMFYSA-N 1 1 294.399 0.489 50 0 CCAAMO C[N@H+]1CCN(C(=O)N2CCCC2)C[C@@]12CCNC(=O)CC2 ZINC000095370860 349604043 /nfs/dbraw/zinc/60/40/43/349604043.db2.gz BMOCRQNYMCTTLB-OAHLLOKOSA-N 1 1 294.399 0.489 50 0 CCAAMO CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2cccnc2C)C1 ZINC000097051613 349625024 /nfs/dbraw/zinc/62/50/24/349625024.db2.gz KGUMDLJQGVYXQO-CYBMUJFWSA-N 1 1 283.397 0.904 50 0 CCAAMO CCNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cccnc2C)C1 ZINC000097051613 349625028 /nfs/dbraw/zinc/62/50/28/349625028.db2.gz KGUMDLJQGVYXQO-CYBMUJFWSA-N 1 1 283.397 0.904 50 0 CCAAMO CC(C)c1[nH+]ccn1CC(=O)N[C@H](C)C(=O)N(C)C ZINC000097053363 349625325 /nfs/dbraw/zinc/62/53/25/349625325.db2.gz FQKSUOBPDPHCLE-SNVBAGLBSA-N 1 1 266.345 0.599 50 0 CCAAMO CCc1[nH+]ccn1CC(=O)N1Cc2nnc(C)n2[C@H](C)C1 ZINC000097137828 349629675 /nfs/dbraw/zinc/62/96/75/349629675.db2.gz JLQMECLECFANLX-SNVBAGLBSA-N 1 1 288.355 0.949 50 0 CCAAMO NC(=O)C[C@@H]([NH3+])C(=O)N1CCc2c(F)ccc(F)c2C1 ZINC000097229281 349635367 /nfs/dbraw/zinc/63/53/67/349635367.db2.gz GXYUSAAEIZLGQD-LLVKDONJSA-N 1 1 283.278 0.052 50 0 CCAAMO C[N@@H+](CCO)C[C@H]1COCCN1C(=O)Cc1cccs1 ZINC000085470043 179075378 /nfs/dbraw/zinc/07/53/78/179075378.db2.gz GROWXJNNJVGBPH-LBPRGKRZSA-N 1 1 298.408 0.442 50 0 CCAAMO Cc1cc(NCCC[NH+]2CCOCC2)c2nncn2n1 ZINC000019933220 348073728 /nfs/dbraw/zinc/07/37/28/348073728.db2.gz LEAUXUOZYSSEEN-UHFFFAOYSA-N 1 1 276.344 0.567 50 0 CCAAMO O=C(CCc1ccccc1)N1CC[NH+](CCO)CC1 ZINC000020058629 348076854 /nfs/dbraw/zinc/07/68/54/348076854.db2.gz IBOVCHGCNINPDW-UHFFFAOYSA-N 1 1 262.353 0.756 50 0 aggregator CCAAMO C[NH+]1CCN(CC(=O)Nc2cccc3nonc32)CC1 ZINC000032578588 348135490 /nfs/dbraw/zinc/13/54/90/348135490.db2.gz XBZPNCLABICQHY-UHFFFAOYSA-N 1 1 275.312 0.409 50 0 CCAAMO NC(=O)NC(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000033040084 348144040 /nfs/dbraw/zinc/14/40/40/348144040.db2.gz FHWXOUVWUJWMHW-LBPRGKRZSA-N 1 1 277.324 0.379 50 0 CCAAMO COc1ccc(S(=O)(=O)N2CC[NH2+]CC2)cc1Cl ZINC000034650916 348151454 /nfs/dbraw/zinc/15/14/54/348151454.db2.gz VPTNXXJYSREAMT-UHFFFAOYSA-N 1 1 290.772 0.943 50 0 CCAAMO Cc1cc(=O)n(CC[NH+]2CC(c3ccccn3)C2)c(=O)[nH]1 ZINC000253537033 352537411 /nfs/dbraw/zinc/53/74/11/352537411.db2.gz UQRRDDWGKCYBCM-UHFFFAOYSA-N 1 1 286.335 0.752 50 0 CCAAMO Cc1cc(=O)n(CC[N@@H+]2CCOC3(CCCC3)C2)c(=O)[nH]1 ZINC000253537336 352537551 /nfs/dbraw/zinc/53/75/51/352537551.db2.gz OHYUJPUMCJPBOH-UHFFFAOYSA-N 1 1 293.367 0.902 50 0 CCAAMO Cc1cc(=O)n(CC[N@H+]2CCOC3(CCCC3)C2)c(=O)[nH]1 ZINC000253537336 352537553 /nfs/dbraw/zinc/53/75/53/352537553.db2.gz OHYUJPUMCJPBOH-UHFFFAOYSA-N 1 1 293.367 0.902 50 0 CCAAMO Cn1c(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)cc(=O)n(C)c1=O ZINC000040555462 348237694 /nfs/dbraw/zinc/23/76/94/348237694.db2.gz YKSNCYFDAXAVQS-QWHCGFSZSA-N 1 1 293.367 0.227 50 0 CCAAMO Cn1c(C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)cc(=O)n(C)c1=O ZINC000040555462 348237697 /nfs/dbraw/zinc/23/76/97/348237697.db2.gz YKSNCYFDAXAVQS-QWHCGFSZSA-N 1 1 293.367 0.227 50 0 CCAAMO C[C@H](O)C(=O)N1CCN(CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000346171486 137270847 /nfs/dbraw/zinc/27/08/47/137270847.db2.gz RYSWHCOWNGJKKR-UONOGXRCSA-N 1 1 283.416 0.386 50 0 CCAAMO C[C@@H]1C[N@@H+](CCNC(=O)CCc2cnn(C)c2)C[C@H](C)O1 ZINC000054842302 348564451 /nfs/dbraw/zinc/56/44/51/348564451.db2.gz MOZMDPMWAACBGJ-BETUJISGSA-N 1 1 294.399 0.578 50 0 CCAAMO C[C@@H]1C[N@H+](CCNC(=O)CCc2cnn(C)c2)C[C@H](C)O1 ZINC000054842302 348564453 /nfs/dbraw/zinc/56/44/53/348564453.db2.gz MOZMDPMWAACBGJ-BETUJISGSA-N 1 1 294.399 0.578 50 0 CCAAMO C[C@H]1C[NH+](CCNC(=O)CCc2cnn(C)c2)C[C@H](C)O1 ZINC000054842305 348564625 /nfs/dbraw/zinc/56/46/25/348564625.db2.gz MOZMDPMWAACBGJ-STQMWFEESA-N 1 1 294.399 0.578 50 0 CCAAMO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2ccccc2c1=O ZINC000055231330 348573682 /nfs/dbraw/zinc/57/36/82/348573682.db2.gz UGBIXTOGFCYYFF-UHFFFAOYSA-N 1 1 286.335 0.321 50 0 CCAAMO COc1ccc([C@@H]2CC[N@@H+](CC(=O)NC(N)=O)C2)cc1 ZINC000058201129 348622398 /nfs/dbraw/zinc/62/23/98/348622398.db2.gz FBFXEWPWRHZWPL-LLVKDONJSA-N 1 1 277.324 0.679 50 0 CCAAMO CCC/C=C/C[N@@H+]1CCN2C(=O)CN(C)C(=O)[C@@H]2C1 ZINC000065393751 348712303 /nfs/dbraw/zinc/71/23/03/348712303.db2.gz IFCUZUKZCLBXCS-FYJFLYSWSA-N 1 1 265.357 0.328 50 0 CCAAMO CCC/C=C/C[N@H+]1CCN2C(=O)CN(C)C(=O)[C@@H]2C1 ZINC000065393751 348712306 /nfs/dbraw/zinc/71/23/06/348712306.db2.gz IFCUZUKZCLBXCS-FYJFLYSWSA-N 1 1 265.357 0.328 50 0 CCAAMO C[N@H+]1CCCN(CC(=O)NCCCc2cccnc2)CC1 ZINC000065425757 348715144 /nfs/dbraw/zinc/71/51/44/348715144.db2.gz VNEVIAUNCTUQPP-UHFFFAOYSA-N 1 1 290.411 0.768 50 0 CCAAMO CCS(=O)(=O)N1CCC[C@@H]1C[N@@H+](C)CCOC ZINC000065626776 348725027 /nfs/dbraw/zinc/72/50/27/348725027.db2.gz UJUAKPHXPXAPHN-LLVKDONJSA-N 1 1 264.391 0.379 50 0 CCAAMO C[NH+]1CCN(c2nc(C(=O)N3CCOCC3)cs2)CC1 ZINC000064542789 348701730 /nfs/dbraw/zinc/70/17/30/348701730.db2.gz VZMRMWOUKXUAIZ-UHFFFAOYSA-N 1 1 296.396 0.367 50 0 CCAAMO Cc1nc(-c2cn(CC[NH3+])nn2)n(-c2ccnc(C)c2)n1 ZINC000067770498 348784214 /nfs/dbraw/zinc/78/42/14/348784214.db2.gz GEVMSPUGTYRVMF-UHFFFAOYSA-N 1 1 284.327 0.496 50 0 CCAAMO CC(=O)N1CCC[C@H]1c1nc(CN2CC[NH+](C)CC2)no1 ZINC000067789563 348784814 /nfs/dbraw/zinc/78/48/14/348784814.db2.gz OYACNADQBUGLIZ-LBPRGKRZSA-N 1 1 293.371 0.500 50 0 CCAAMO CCOC(=O)C[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000067804095 348785139 /nfs/dbraw/zinc/78/51/39/348785139.db2.gz RADGXJAUUGGHCK-LBPRGKRZSA-N 1 1 268.357 0.884 50 0 CCAAMO CCOC(=O)C[N@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000067804095 348785142 /nfs/dbraw/zinc/78/51/42/348785142.db2.gz RADGXJAUUGGHCK-LBPRGKRZSA-N 1 1 268.357 0.884 50 0 CCAAMO CC(C)n1cc(C(=O)NCC[C@H]2C[N@H+](C)CCO2)cn1 ZINC000067973958 348792390 /nfs/dbraw/zinc/79/23/90/348792390.db2.gz KELLRCWIEUPMSO-ZDUSSCGKSA-N 1 1 280.372 0.915 50 0 CCAAMO CC(C)n1cc(C(=O)NCC[C@H]2C[N@@H+](C)CCO2)cn1 ZINC000067973958 348792394 /nfs/dbraw/zinc/79/23/94/348792394.db2.gz KELLRCWIEUPMSO-ZDUSSCGKSA-N 1 1 280.372 0.915 50 0 CCAAMO CCS(=O)(=O)CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1C ZINC000069487772 348847888 /nfs/dbraw/zinc/84/78/88/348847888.db2.gz DTWRJANMRHNEPF-NWDGAFQWSA-N 1 1 288.413 0.506 50 0 CCAAMO CCS(=O)(=O)CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1C ZINC000069487772 348847892 /nfs/dbraw/zinc/84/78/92/348847892.db2.gz DTWRJANMRHNEPF-NWDGAFQWSA-N 1 1 288.413 0.506 50 0 CCAAMO NC(=O)COc1cccc(C[N@H+]2CCCC[C@@H]2CO)c1 ZINC000069193539 348836554 /nfs/dbraw/zinc/83/65/54/348836554.db2.gz SZGLYAUVNXXMRW-CYBMUJFWSA-N 1 1 278.352 0.898 50 0 CCAAMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)c1cccc(-n2cnnn2)c1 ZINC000069452750 348845883 /nfs/dbraw/zinc/84/58/83/348845883.db2.gz VIKIOFYHFOYTSU-LBPRGKRZSA-N 1 1 298.350 0.629 50 0 CCAAMO Cc1cc(NCC(C)(C)[NH+]2CCOCC2)n2ncnc2n1 ZINC000069573082 348852206 /nfs/dbraw/zinc/85/22/06/348852206.db2.gz FIAOOVPRJCRIJP-UHFFFAOYSA-N 1 1 290.371 0.955 50 0 CCAAMO C[N@@H+]1CCO[C@@H](CNCc2cnn(-c3ccccc3)n2)C1 ZINC000069570274 348852280 /nfs/dbraw/zinc/85/22/80/348852280.db2.gz ZPARWJMRTBCRSO-HNNXBMFYSA-N 1 1 287.367 0.688 50 0 CCAAMO C[N@H+]1CCO[C@@H](CNCc2cnn(-c3ccccc3)n2)C1 ZINC000069570274 348852282 /nfs/dbraw/zinc/85/22/82/348852282.db2.gz ZPARWJMRTBCRSO-HNNXBMFYSA-N 1 1 287.367 0.688 50 0 CCAAMO CN1CCO[C@@H](C[NH2+]Cc2cnn(-c3ccccc3)n2)C1 ZINC000069570274 348852285 /nfs/dbraw/zinc/85/22/85/348852285.db2.gz ZPARWJMRTBCRSO-HNNXBMFYSA-N 1 1 287.367 0.688 50 0 CCAAMO C[N@@H+]1CCO[C@H](CNCc2noc(C3CC3)n2)C1 ZINC000069590267 348853102 /nfs/dbraw/zinc/85/31/02/348853102.db2.gz KMYPIEVIRGWDEH-SNVBAGLBSA-N 1 1 252.318 0.367 50 0 CCAAMO C[N@H+]1CCO[C@H](CNCc2noc(C3CC3)n2)C1 ZINC000069590267 348853103 /nfs/dbraw/zinc/85/31/03/348853103.db2.gz KMYPIEVIRGWDEH-SNVBAGLBSA-N 1 1 252.318 0.367 50 0 CCAAMO CCOCC[N@H+]1CCN(CC(=O)NC2CC2)C[C@@H]1CC ZINC000069817641 348862205 /nfs/dbraw/zinc/86/22/05/348862205.db2.gz QMZCWWOXPOYPES-AWEZNQCLSA-N 1 1 283.416 0.698 50 0 CCAAMO Cc1cc(C)n(C2C[NH+](C[C@H](O)Cn3cccn3)C2)n1 ZINC000069899172 348865667 /nfs/dbraw/zinc/86/56/67/348865667.db2.gz WPNFQOJKRLBXGE-AWEZNQCLSA-N 1 1 275.356 0.614 50 0 CCAAMO CC[C@@H](O)C[NH+]1CCN(C(=O)C[C@@H](C)OC)CC1 ZINC000069950952 348867977 /nfs/dbraw/zinc/86/79/77/348867977.db2.gz DGTTYMBHYWSJSS-VXGBXAGGSA-N 1 1 258.362 0.327 50 0 CCAAMO O=C(c1ccoc1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000072269142 348917638 /nfs/dbraw/zinc/91/76/38/348917638.db2.gz JWODAVPFBABCBL-CHWSQXEVSA-N 1 1 264.325 0.951 50 0 CCAAMO Cc1cc(N2CCN(C[C@@H](C)O)[C@H](C)C2)nc(N)[nH+]1 ZINC000072276325 348919023 /nfs/dbraw/zinc/91/90/23/348919023.db2.gz QUDNCGHELYKGNV-GHMZBOCLSA-N 1 1 265.361 0.259 50 0 CCAAMO COCC[N@@H+](CC(=O)NCc1ccco1)C(C)(C)CO ZINC000075094051 349021746 /nfs/dbraw/zinc/02/17/46/349021746.db2.gz UIAMZTZDCXGDAT-UHFFFAOYSA-N 1 1 284.356 0.615 50 0 CCAAMO Cc1cnn(CC(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)c1 ZINC000076052525 349066199 /nfs/dbraw/zinc/06/61/99/349066199.db2.gz KSJDPOCEGVEUJY-UONOGXRCSA-N 1 1 292.383 0.371 50 0 CCAAMO CC(=O)N1CCN([C@H]2C[N@@H+](Cc3ccon3)C[C@@H]2C)CC1 ZINC000076055729 349066369 /nfs/dbraw/zinc/06/63/69/349066369.db2.gz WQERPINFKDEQJT-WFASDCNBSA-N 1 1 292.383 0.659 50 0 CCAAMO CC(=O)N1CCN([C@H]2C[N@H+](Cc3ccon3)C[C@@H]2C)CC1 ZINC000076055729 349066372 /nfs/dbraw/zinc/06/63/72/349066372.db2.gz WQERPINFKDEQJT-WFASDCNBSA-N 1 1 292.383 0.659 50 0 CCAAMO CC(=O)N1CC[NH+]([C@H]2CN(Cc3ccon3)C[C@@H]2C)CC1 ZINC000076055729 349066376 /nfs/dbraw/zinc/06/63/76/349066376.db2.gz WQERPINFKDEQJT-WFASDCNBSA-N 1 1 292.383 0.659 50 0 CCAAMO C[C@]1([C@H]2CCC[N@@H+](Cc3ccccn3)C2)NC(=O)NC1=O ZINC000076059153 349067100 /nfs/dbraw/zinc/06/71/00/349067100.db2.gz ATHPUBASIANEFK-XHDPSFHLSA-N 1 1 288.351 0.892 50 0 CCAAMO CC(C)(C)NC(=O)CC[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000078876613 349157150 /nfs/dbraw/zinc/15/71/50/349157150.db2.gz JBBSKRLKXKTRKB-AWEZNQCLSA-N 1 1 297.443 0.945 50 0 CCAAMO CCn1cc(S(=O)(=O)N[C@H]2C[N@@H+](C)C[C@@H]2C)cn1 ZINC000078899084 349158763 /nfs/dbraw/zinc/15/87/63/349158763.db2.gz DLJBKOOUONMJSS-ONGXEEELSA-N 1 1 272.374 0.131 50 0 CCAAMO CCOCC[N@H+]1C[C@@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 ZINC000078895959 349158812 /nfs/dbraw/zinc/15/88/12/349158812.db2.gz IRXACTSQYVDPOE-UKRRQHHQSA-N 1 1 283.416 0.507 50 0 CCAAMO COC(=O)c1ccc(CC[N@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000079073168 349166658 /nfs/dbraw/zinc/16/66/58/349166658.db2.gz UGHKWXZLDSXMNN-CYBMUJFWSA-N 1 1 276.336 0.965 50 0 CCAAMO Cn1ccnc1[C@@H]1CCC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC000082091847 349291115 /nfs/dbraw/zinc/29/11/15/349291115.db2.gz IIHJKTYHTHMVJN-CYBMUJFWSA-N 1 1 292.383 0.458 50 0 CCAAMO CNC(=O)c1ccc(S(=O)(=O)N2CC[NH2+][C@H](C)C2)cc1 ZINC000088059548 349355608 /nfs/dbraw/zinc/35/56/08/349355608.db2.gz YOFADLFYZDRNQX-SNVBAGLBSA-N 1 1 297.380 0.029 50 0 CCAAMO CNC(=O)c1ccc(S(=O)(=O)N2CC[NH2+][C@@H](C)C2)cc1 ZINC000088059549 349355739 /nfs/dbraw/zinc/35/57/39/349355739.db2.gz YOFADLFYZDRNQX-JTQLQIEISA-N 1 1 297.380 0.029 50 0 CCAAMO CNC(=O)[C@@H]1CCCC[N@H+]1CCOC[C@@H]1CCCO1 ZINC000083881798 349312603 /nfs/dbraw/zinc/31/26/03/349312603.db2.gz PPKICXSRXFNDGX-STQMWFEESA-N 1 1 270.373 0.783 50 0 CCAAMO OCC[NH+]1CCN(Cc2cn(-c3ccccc3)nn2)CC1 ZINC000084576704 349323036 /nfs/dbraw/zinc/32/30/36/349323036.db2.gz CKQMLVDOTNRHKC-UHFFFAOYSA-N 1 1 287.367 0.377 50 0 CCAAMO CC(C)N1C(=O)N[C@@]2(CC[N@@H+](CC3CCOCC3)C2)C1=O ZINC000084597335 349323872 /nfs/dbraw/zinc/32/38/72/349323872.db2.gz NWTHJJZIZCPXBA-OAHLLOKOSA-N 1 1 295.383 0.818 50 0 CCAAMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)[C@@H]2CCOC2)C1 ZINC000084714559 349325712 /nfs/dbraw/zinc/32/57/12/349325712.db2.gz HOZIVPJBZDRDDL-UTUOFQBUSA-N 1 1 276.402 0.423 50 0 CCAAMO Cn1cc(C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cn1 ZINC000089755202 349406219 /nfs/dbraw/zinc/40/62/19/349406219.db2.gz VNABALGDGCCKKK-OLZOCXBDSA-N 1 1 278.356 0.091 50 0 CCAAMO O=C([C@H]1COCC[NH2+]1)N1CCN(c2ccccc2F)CC1 ZINC000088370053 349361638 /nfs/dbraw/zinc/36/16/38/349361638.db2.gz JJFNNKXIEHXNLN-CYBMUJFWSA-N 1 1 293.342 0.463 50 0 CCAAMO C[C@H]1C[N@H+](C)CCN1C(=O)NCCCN1CCCC1=O ZINC000089938139 349415002 /nfs/dbraw/zinc/41/50/02/349415002.db2.gz BMAQEKRTEQKVHW-LBPRGKRZSA-N 1 1 282.388 0.344 50 0 CCAAMO C[C@H]1C[N@@H+](C)CCN1C(=O)NCCCN1CCCC1=O ZINC000089938139 349415003 /nfs/dbraw/zinc/41/50/03/349415003.db2.gz BMAQEKRTEQKVHW-LBPRGKRZSA-N 1 1 282.388 0.344 50 0 CCAAMO Cc1[nH]ccc1C(=O)N[C@H]1C[N@@H+](CCO)C[C@@H]1C1CC1 ZINC000091943772 180290159 /nfs/dbraw/zinc/29/01/59/180290159.db2.gz OMUCUXFBHCAQIL-KGLIPLIRSA-N 1 1 277.368 0.756 50 0 CCAAMO CC(C)[N@@H+](C)CC(=O)N[C@H](C(N)=O)c1ccc(F)cc1 ZINC000137108143 350432536 /nfs/dbraw/zinc/43/25/36/350432536.db2.gz BLFLRZLVVBWYMX-ZDUSSCGKSA-N 1 1 281.331 0.809 50 0 CCAAMO C[C@H]1C[N@@H+](Cc2cc(=O)n3ccccc3n2)C[C@H]1O ZINC000108153125 186206596 /nfs/dbraw/zinc/20/65/96/186206596.db2.gz QXMZIUGDCFQYFD-CMPLNLGQSA-N 1 1 259.309 0.507 50 0 CCAAMO COC(=O)CC[N@@H+]1CCN(Cc2csnn2)[C@@H](C)C1 ZINC000154745352 350597709 /nfs/dbraw/zinc/59/77/09/350597709.db2.gz BNWYCCOALGXALF-JTQLQIEISA-N 1 1 284.385 0.607 50 0 CCAAMO COC(=O)CC[N@H+]1CCN(Cc2csnn2)[C@@H](C)C1 ZINC000154745352 350597711 /nfs/dbraw/zinc/59/77/11/350597711.db2.gz BNWYCCOALGXALF-JTQLQIEISA-N 1 1 284.385 0.607 50 0 CCAAMO C[N@@H+](CC(=O)N1CCOCC2(CCOCC2)C1)C1CC1 ZINC000170594329 350846897 /nfs/dbraw/zinc/84/68/97/350846897.db2.gz GXNZTCZIAQVOPL-UHFFFAOYSA-N 1 1 282.384 0.736 50 0 CCAAMO CN(C)c1nc(N)nc(C[N@@H+]2CCC3(CCC3)C2)n1 ZINC000170662465 350851987 /nfs/dbraw/zinc/85/19/87/350851987.db2.gz SJYSQAVLOWMWNV-UHFFFAOYSA-N 1 1 262.361 0.896 50 0 CCAAMO CN(C)c1nc(N)nc(C[N@H+]2CCC3(CCC3)C2)n1 ZINC000170662465 350851991 /nfs/dbraw/zinc/85/19/91/350851991.db2.gz SJYSQAVLOWMWNV-UHFFFAOYSA-N 1 1 262.361 0.896 50 0 CCAAMO COC[C@@H](O)C[N@H+]1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000182901546 351371280 /nfs/dbraw/zinc/37/12/80/351371280.db2.gz FLOHYDCWSPRKIA-CABCVRRESA-N 1 1 285.432 0.096 50 0 CCAAMO Cc1nnnn1C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000193416146 351827766 /nfs/dbraw/zinc/82/77/66/351827766.db2.gz NOGKGPSBFMQPCU-AWEZNQCLSA-N 1 1 273.340 0.401 50 0 CCAAMO O=C(NN1CCCCC1=O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000195543381 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288.355 0.666 50 0 CCAAMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cnccc1N ZINC000128138345 187353901 /nfs/dbraw/zinc/35/39/01/187353901.db2.gz KUDNTFRVEMTLIV-WDEREUQCSA-N 1 1 260.341 0.973 50 0 CCAAMO Cc1cc(N2CCC(CS(N)(=O)=O)CC2)nc(C)[nH+]1 ZINC000098016028 136523629 /nfs/dbraw/zinc/52/36/29/136523629.db2.gz PRNPUMYRRIWEDU-UHFFFAOYSA-N 1 1 284.385 0.598 50 0 CCAAMO CCN(CC)c1nc(NCCO)[nH+]c(N(CC)CC)n1 ZINC000005795046 348003209 /nfs/dbraw/zinc/00/32/09/348003209.db2.gz BTCOJYIDWATWPX-UHFFFAOYSA-N 1 1 282.392 0.968 50 0 CCAAMO Cc1ccc(C(=O)NC2CC[NH+](CC(N)=O)CC2)cc1 ZINC000012898150 348023435 /nfs/dbraw/zinc/02/34/35/348023435.db2.gz POBUZIBMYJLAIL-UHFFFAOYSA-N 1 1 275.352 0.675 50 0 CCAAMO CN1CC[NH+](C[C@@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000019790682 348070117 /nfs/dbraw/zinc/07/01/17/348070117.db2.gz YPORIHHIIUWXLW-GFCCVEGCSA-N 1 1 294.351 0.402 50 0 CCAAMO O=C(C1CC[NH+]([C@H]2CC(=O)NC2=O)CC1)N1CCCCC1 ZINC000018198376 348057381 /nfs/dbraw/zinc/05/73/81/348057381.db2.gz CSXDMJLTRAAJLN-LBPRGKRZSA-N 1 1 293.367 0.126 50 0 CCAAMO CC[C@](C)(CNC(=O)c1ccc(=O)[nH]n1)[NH+]1CCOCC1 ZINC000031931627 348128762 /nfs/dbraw/zinc/12/87/62/348128762.db2.gz AEDBRCZWMHYLLN-CQSZACIVSA-N 1 1 294.355 0.413 50 0 CCAAMO CCc1ccccc1NC(=O)C[C@@H]([NH2+]CC[NH3+])C(=O)[O-] ZINC000032559944 348135020 /nfs/dbraw/zinc/13/50/20/348135020.db2.gz NMWKZAMVPFUPEA-GFCCVEGCSA-N 1 1 279.340 0.579 50 0 CCAAMO N[C@H](C[NH+]1CCCC1)[C@H](O)c1ccc2c(c1)OCCO2 ZINC000034498509 348150490 /nfs/dbraw/zinc/15/04/90/348150490.db2.gz MPRDYMIZJFVAAH-IUODEOHRSA-N 1 1 278.352 0.914 50 0 CCAAMO COc1ccc(S(=O)(=O)N2CC[NH2+]CC2)cc1OC ZINC000034858942 348152251 /nfs/dbraw/zinc/15/22/51/348152251.db2.gz FFTNIOVRBBMUEN-UHFFFAOYSA-N 1 1 286.353 0.298 50 0 CCAAMO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2c[nH]c(=O)[nH]c2=O)C1 ZINC000253537036 352537348 /nfs/dbraw/zinc/53/73/48/352537348.db2.gz UZTKUSANVYDBIL-VIFPVBQESA-N 1 1 294.355 0.738 50 0 CCAAMO C[C@H](C(=O)NC1CCC(C)CC1)N1CC[NH+](CCO)CC1 ZINC000042287375 348272866 /nfs/dbraw/zinc/27/28/66/348272866.db2.gz OORAVTGFKNAXFH-SHARSMKWSA-N 1 1 297.443 0.680 50 0 CCAAMO O=C(C[NH+](CC(=O)NC1CC1)C1CCCC1)NC1CC1 ZINC000047550241 348380398 /nfs/dbraw/zinc/38/03/98/348380398.db2.gz FCIBBSLRLIYBER-UHFFFAOYSA-N 1 1 279.384 0.788 50 0 CCAAMO C[C@H]1C[N@H+](Cc2cccc(CNS(C)(=O)=O)c2)CCO1 ZINC000049051150 348437234 /nfs/dbraw/zinc/43/72/34/348437234.db2.gz CRSYVMASUIEWLV-LBPRGKRZSA-N 1 1 298.408 0.957 50 0 CCAAMO C[C@H]1C[N@@H+](Cc2cccc(CNS(C)(=O)=O)c2)CCO1 ZINC000049051150 348437239 /nfs/dbraw/zinc/43/72/39/348437239.db2.gz CRSYVMASUIEWLV-LBPRGKRZSA-N 1 1 298.408 0.957 50 0 CCAAMO C[C@@H](C(=O)NCC[N@H+]1CCC[C@@H](C)C1)n1cncn1 ZINC000060524437 348646036 /nfs/dbraw/zinc/64/60/36/348646036.db2.gz XPHIHSRGOBNVIZ-NEPJUHHUSA-N 1 1 265.361 0.687 50 0 CCAAMO COCC[N@H+]1CC[C@@H](C(=O)NCc2ccccn2)C1 ZINC000065370784 348711993 /nfs/dbraw/zinc/71/19/93/348711993.db2.gz QYTKOTSFOQYSMC-GFCCVEGCSA-N 1 1 263.341 0.666 50 0 CCAAMO COC(=O)CN1CCC(N[C@@H]2CC[NH2+]C2(C)C)CC1 ZINC000067688783 348781194 /nfs/dbraw/zinc/78/11/94/348781194.db2.gz XORZRHGAPANURI-GFCCVEGCSA-N 1 1 269.389 0.354 50 0 CCAAMO N[C@H]1C[NH2+][C@H](C(=O)N2CCc3c4ccccc4[nH]c3C2)C1 ZINC000067821715 348786099 /nfs/dbraw/zinc/78/60/99/348786099.db2.gz KWVXGDQMJGXDJJ-YGRLFVJLSA-N 1 1 284.363 0.742 50 0 CCAAMO OCC[N@H+]1CCCN(c2nccc(C(F)(F)F)n2)CC1 ZINC000069587282 348853076 /nfs/dbraw/zinc/85/30/76/348853076.db2.gz FAFINURNENHFTJ-UHFFFAOYSA-N 1 1 290.289 1.000 50 0 CCAAMO COCCNC(=O)C[N@H+]1CCC[C@H]1[C@H]1CCCN1C(C)=O ZINC000069738770 348859334 /nfs/dbraw/zinc/85/93/34/348859334.db2.gz BURNCEMTUVQYIB-UONOGXRCSA-N 1 1 297.399 0.224 50 0 CCAAMO Cc1cc(C)n(C2C[NH+](C[C@@H](O)Cn3cccn3)C2)n1 ZINC000069899175 348865155 /nfs/dbraw/zinc/86/51/55/348865155.db2.gz WPNFQOJKRLBXGE-CQSZACIVSA-N 1 1 275.356 0.614 50 0 CCAAMO COCCc1noc(CN2CC[N@@H+](CCOC)[C@@H](C)C2)n1 ZINC000069973132 348867701 /nfs/dbraw/zinc/86/77/01/348867701.db2.gz ALESUSYQEDNOMD-LBPRGKRZSA-N 1 1 298.387 0.411 50 0 CCAAMO COCCc1noc(CN2CC[N@H+](CCOC)[C@@H](C)C2)n1 ZINC000069973132 348867703 /nfs/dbraw/zinc/86/77/03/348867703.db2.gz ALESUSYQEDNOMD-LBPRGKRZSA-N 1 1 298.387 0.411 50 0 CCAAMO Cc1cnn(C[C@H]2CCC[N@H+]2CCCS(N)(=O)=O)c1 ZINC000069951895 348868290 /nfs/dbraw/zinc/86/82/90/348868290.db2.gz USALRGQGNCWXGJ-GFCCVEGCSA-N 1 1 286.401 0.335 50 0 CCAAMO C[C@@H](O)C[NH+]1CCN(C(=O)CCCc2ccccn2)CC1 ZINC000070040060 348869577 /nfs/dbraw/zinc/86/95/77/348869577.db2.gz ZAKRVBMXQXYIEC-CQSZACIVSA-N 1 1 291.395 0.929 50 0 CCAAMO C[C@@H]([NH2+]Cc1nnnn1C1CC1)[C@H](C)n1cccn1 ZINC000071882105 348913164 /nfs/dbraw/zinc/91/31/64/348913164.db2.gz HJIOMGXIXLFZSQ-ZJUUUORDSA-N 1 1 261.333 0.944 50 0 CCAAMO CNC(=O)C[NH+]1CCC(NC(=O)CCC(F)(F)F)CC1 ZINC000079523212 349182230 /nfs/dbraw/zinc/18/22/30/349182230.db2.gz JZPYAUCZTXUZIT-UHFFFAOYSA-N 1 1 295.305 0.656 50 0 CCAAMO C[C@H](C(=O)[O-])[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000084461827 349322164 /nfs/dbraw/zinc/32/21/64/349322164.db2.gz HLTUEEAZQAAGHP-SNVBAGLBSA-N 1 1 279.344 0.138 50 0 CCAAMO CCn1cnnc1CNC(=O)NC[C@H]1CC[N@@H+](CC)C1 ZINC000089310149 349382247 /nfs/dbraw/zinc/38/22/47/349382247.db2.gz WMTLEZLXVNXCAZ-LLVKDONJSA-N 1 1 280.376 0.439 50 0 CCAAMO CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1[NH2+]Cc1c[nH]cn1 ZINC000089949145 349415739 /nfs/dbraw/zinc/41/57/39/349415739.db2.gz OHQDQSNFBKQDAM-PWSUYJOCSA-N 1 1 286.401 0.559 50 0 CCAAMO OCc1ccc(C[C@H]2CC[N@H+](C(CO)CO)C2)cc1 ZINC000091440251 180156482 /nfs/dbraw/zinc/15/64/82/180156482.db2.gz WVGSTJLUNZOJPE-CQSZACIVSA-N 1 1 265.353 0.397 50 0 CCAAMO COCc1nc(CNc2nc(N)[nH+]cc2C)no1 ZINC000091620412 180208593 /nfs/dbraw/zinc/20/85/93/180208593.db2.gz IWRIWLMADBHIIU-UHFFFAOYSA-N 1 1 250.262 0.509 50 0 CCAAMO C[NH+](C)C[C@@H]1CN(C(=O)c2[nH]ncc2Cl)C[C@@H]1CO ZINC000091616785 180208606 /nfs/dbraw/zinc/20/86/06/180208606.db2.gz HAXNNKDYRFNFJL-RKDXNWHRSA-N 1 1 286.763 0.305 50 0 CCAAMO Cc1nnc(CNC(=O)[C@@H]2CCCCC[N@@H+]2C)[nH]1 ZINC000091695433 180229454 /nfs/dbraw/zinc/22/94/54/180229454.db2.gz RLAKJKWRZBJERH-JTQLQIEISA-N 1 1 251.334 0.604 50 0 CCAAMO Cc1n[nH]c(CCC(=O)N2C[C@H]([NH3+])[C@@H](C(C)C)C2)n1 ZINC000091914571 180285698 /nfs/dbraw/zinc/28/56/98/180285698.db2.gz CFTWGLICNGDOGE-MNOVXSKESA-N 1 1 265.361 0.487 50 0 CCAAMO CCc1c[nH+]c(N)nc1NCCSc1nc[nH]n1 ZINC000091997667 180302789 /nfs/dbraw/zinc/30/27/89/180302789.db2.gz BZWROUWWCAUOQY-UHFFFAOYSA-N 1 1 265.346 0.944 50 0 CCAAMO C[C@H](O)C[N@H+]1CCN(CC(=O)NCc2ccco2)C[C@@H]1C ZINC000106868002 186144223 /nfs/dbraw/zinc/14/42/23/186144223.db2.gz QLPLLPJEVCLDEY-STQMWFEESA-N 1 1 295.383 0.283 50 0 CCAAMO CNC(=O)[C@@H]1C[N@@H+](Cc2ccoc2)C[C@H]1c1nc(C)no1 ZINC000169791157 350840393 /nfs/dbraw/zinc/84/03/93/350840393.db2.gz UOGWBCJPYHZYPJ-VXGBXAGGSA-N 1 1 290.323 0.933 50 0 CCAAMO C[NH+]1CCN([C@H]2CCN(Cc3cccnc3)C2=O)CC1 ZINC000169793242 350840648 /nfs/dbraw/zinc/84/06/48/350840648.db2.gz LFLFDZNVPFISJF-AWEZNQCLSA-N 1 1 274.368 0.430 50 0 CCAAMO C[C@H]1COCCN1CC[N@@H+](C)C1(CO)CCOCC1 ZINC000192821660 351799780 /nfs/dbraw/zinc/79/97/80/351799780.db2.gz KGPCGOXMIRDJST-ZDUSSCGKSA-N 1 1 272.389 0.180 50 0 CCAAMO COC[C@@H](O)C[N@@H+](C)C[C@@H](O)c1ccc(F)cc1F ZINC000195530856 351918516 /nfs/dbraw/zinc/91/85/16/351918516.db2.gz SAFQJGCMSSDLMR-GXFFZTMASA-N 1 1 275.295 0.937 50 0 CCAAMO Cc1nnc(CCNC(=O)[C@@H]([NH3+])c2c(C)n[nH]c2C)s1 ZINC000215595429 351937054 /nfs/dbraw/zinc/93/70/54/351937054.db2.gz DZYWDHWABIPYAA-NSHDSACASA-N 1 1 294.384 0.545 50 0 CCAAMO CCCn1ncc(C[N@H+]2CC[C@](O)(CO)C2)c1C ZINC000215877009 351938423 /nfs/dbraw/zinc/93/84/23/351938423.db2.gz SYJDAJZEEKKNTJ-CYBMUJFWSA-N 1 1 253.346 0.531 50 0 CCAAMO CN(CCCn1cccn1)C(=O)C[N@H+]1CCC[C@H](O)C1 ZINC000219307084 351966587 /nfs/dbraw/zinc/96/65/87/351966587.db2.gz AOXQYSPXPDKUIT-ZDUSSCGKSA-N 1 1 280.372 0.188 50 0 CCAAMO CCO[C@H]1C[N@@H+](C)C[C@@H]1NC(=O)c1c(C)cc(C)[nH]c1=O ZINC000219304184 351966619 /nfs/dbraw/zinc/96/66/19/351966619.db2.gz GPNPIMARAOUSRD-RYUDHWBXSA-N 1 1 293.367 0.441 50 0 CCAAMO Cc1nnsc1CNC(=O)CN1CCC[N@H+](C)CC1 ZINC000220690020 351974616 /nfs/dbraw/zinc/97/46/16/351974616.db2.gz ORVUITKDASMUQH-UHFFFAOYSA-N 1 1 283.401 0.100 50 0 CCAAMO C[N@H+]1CCC[C@@H](C(=O)NCCCn2ccnn2)C1 ZINC000223841096 351991076 /nfs/dbraw/zinc/99/10/76/351991076.db2.gz CEJVJWQQQASJPO-LLVKDONJSA-N 1 1 251.334 0.126 50 0 CCAAMO CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000229785686 352096344 /nfs/dbraw/zinc/09/63/44/352096344.db2.gz SUGWMSIEYPCKIV-GHMZBOCLSA-N 1 1 299.371 0.306 50 0 CCAAMO C[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)c1nccnc1N ZINC000248087540 352431558 /nfs/dbraw/zinc/43/15/58/352431558.db2.gz BPDZCVYHKYEVAC-GHMZBOCLSA-N 1 1 275.356 0.758 50 0 CCAAMO CC[C@@H]1CN([C@H]2CCOC2=O)CC[N@H+]1C[C@H](C)O ZINC000247218144 352405220 /nfs/dbraw/zinc/40/52/20/352405220.db2.gz QHNXOWWQDGHQHP-TUAOUCFPSA-N 1 1 256.346 0.079 50 0 CCAAMO Cn1cc[nH+]c1N1CCN(C(=O)c2ccccn2)CC1 ZINC000265762743 352662627 /nfs/dbraw/zinc/66/26/27/352662627.db2.gz MGDLNEYUSULVLC-UHFFFAOYSA-N 1 1 271.324 0.778 50 0 CCAAMO O=C(NC[C@H](O)c1ccccc1F)[C@@H]1CSC[NH2+]1 ZINC000153565592 188090558 /nfs/dbraw/zinc/09/05/58/188090558.db2.gz OOVOLVKNGWVGRM-QWRGUYRKSA-N 1 1 270.329 0.638 50 0 CCAAMO Cc1cc(CC(=O)NCC[N@H+]2CCC[C@@H](CO)C2)on1 ZINC000299777588 354050361 /nfs/dbraw/zinc/05/03/61/354050361.db2.gz NFHQSFUKXHHWBE-GFCCVEGCSA-N 1 1 281.356 0.346 50 0 CCAAMO C[C@@H](O)[C@H]([NH3+])C(=O)NCCCc1nc2ccc(F)cc2[nH]1 ZINC000299779441 354050653 /nfs/dbraw/zinc/05/06/53/354050653.db2.gz RTRDMILGAGEEHS-OQPBUACISA-N 1 1 294.330 0.459 50 0 CCAAMO COCC[N@H+]1CCC[C@@H](CNC(=O)c2cnc[nH]2)C1 ZINC000299798977 354054459 /nfs/dbraw/zinc/05/44/59/354054459.db2.gz PSABQBXFRVNRAX-NSHDSACASA-N 1 1 266.345 0.498 50 0 CCAAMO C[C@@H](C(=O)N(C)CC[N@@H+](C)C1CC1)N1CCOCC1 ZINC000328592814 354232220 /nfs/dbraw/zinc/23/22/20/354232220.db2.gz CAKWVHTYZITVSF-LBPRGKRZSA-N 1 1 269.389 0.260 50 0 CCAAMO CN1CCN(C(=O)CC[N@@H+]2CCC(=O)CC23CCC3)CC1 ZINC000328598531 354233225 /nfs/dbraw/zinc/23/32/25/354233225.db2.gz MRDPWQRHCFUYLX-UHFFFAOYSA-N 1 1 293.411 0.738 50 0 CCAAMO CN1CCN(C(=O)CC[N@H+]2CCC(=O)CC23CCC3)CC1 ZINC000328598531 354233229 /nfs/dbraw/zinc/23/32/29/354233229.db2.gz MRDPWQRHCFUYLX-UHFFFAOYSA-N 1 1 293.411 0.738 50 0 CCAAMO CC(C)[N@@H+]1CCCN(C(=O)[C@@H](C)CN2CCOCC2)CC1 ZINC000341630562 355708128 /nfs/dbraw/zinc/70/81/28/355708128.db2.gz FQPVTXONBIPUQC-HNNXBMFYSA-N 1 1 297.443 0.897 50 0 CCAAMO CC(C)[N@H+]1CCCN(C(=O)[C@@H](C)CN2CCOCC2)CC1 ZINC000341630562 355708129 /nfs/dbraw/zinc/70/81/29/355708129.db2.gz FQPVTXONBIPUQC-HNNXBMFYSA-N 1 1 297.443 0.897 50 0 CCAAMO COC(=O)[C@H](C)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000390835515 357744562 /nfs/dbraw/zinc/74/45/62/357744562.db2.gz PAXOKTLYVCNNLU-NSHDSACASA-N 1 1 258.362 0.591 50 0 CCAAMO COC(=O)[C@H](C)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000390835515 357744567 /nfs/dbraw/zinc/74/45/67/357744567.db2.gz PAXOKTLYVCNNLU-NSHDSACASA-N 1 1 258.362 0.591 50 0 CCAAMO Cc1n[nH]c(CCC(=O)NC[C@H]2C[N@H+](C)CCN2C)c1C ZINC000584893520 359233830 /nfs/dbraw/zinc/23/38/30/359233830.db2.gz ZAAWSKPXVGJLRR-ZDUSSCGKSA-N 1 1 293.415 0.321 50 0 CCAAMO COCC[N@H+]1CC[C@@H](C(=O)N2CCc3nocc3C2)C1 ZINC000584897526 359238428 /nfs/dbraw/zinc/23/84/28/359238428.db2.gz XYPABVPQPZGGAG-LLVKDONJSA-N 1 1 279.340 0.528 50 0 CCAAMO CC1(C)CC[C@H](CO)[N@@H+](C[C@H](O)Cn2cccn2)C1 ZINC000621377852 366755564 /nfs/dbraw/zinc/75/55/64/366755564.db2.gz HXYCLJIDBUCMBV-OLZOCXBDSA-N 1 1 267.373 0.727 50 0 CCAAMO CCO[C@H]1C[C@](CO)([NH2+]Cc2cn(C)nn2)C1(C)C ZINC000331746694 204117597 /nfs/dbraw/zinc/11/75/97/204117597.db2.gz DBAZONRFAOJUTD-WCQYABFASA-N 1 1 268.361 0.471 50 0 CCAAMO C[NH+](C)[C@@H](CNS(C)(=O)=O)c1ccc2c(c1)OCO2 ZINC000012196477 388779511 /nfs/dbraw/zinc/77/95/11/388779511.db2.gz UEXYZDPDSYVJIP-JTQLQIEISA-N 1 1 286.353 0.567 50 0 CCAAMO CN1CCC[C@]2(CCC[N@H+](CCCn3cnnn3)C2)C1 ZINC000019147943 388791612 /nfs/dbraw/zinc/79/16/12/388791612.db2.gz CMEUUNOBZSHVJY-AWEZNQCLSA-N 1 1 278.404 0.871 50 0 CCAAMO CN1CCC[C@]2(CCC[N@@H+](CCCn3cnnn3)C2)C1 ZINC000019147943 388791617 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286.383 0.923 50 0 CCAAMO C[C@@H](CN1CCc2ccccc2C1)[NH2+]Cc1nc(N)n[nH]1 ZINC000534575989 411827615 /nfs/dbraw/zinc/82/76/15/411827615.db2.gz GJDZMBCPUGDTKP-NSHDSACASA-N 1 1 286.383 0.923 50 0 CCAAMO Cc1cccc(C[N@H+]2C[C@H](O)[C@@H](N3CCOCC3)C2)n1 ZINC000020998073 171284233 /nfs/dbraw/zinc/28/42/33/171284233.db2.gz FUHRVSKQHXGJCD-GJZGRUSLSA-N 1 1 277.368 0.267 50 0 CCAAMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2cnccn2)C1 ZINC000022693469 171396093 /nfs/dbraw/zinc/39/60/93/171396093.db2.gz GZFJXXGQPUCJCL-GFCCVEGCSA-N 1 1 278.356 0.563 50 0 CCAAMO O=S(=O)(c1ccc(Cl)cc1)N1CC[NH2+]CC1 ZINC000035585416 172284594 /nfs/dbraw/zinc/28/45/94/172284594.db2.gz CKVKEBVACPUEIB-UHFFFAOYSA-N 1 1 260.746 0.934 50 0 CCAAMO CN(C[C@@H]1CCC[N@H+](Cc2ccno2)C1)S(C)(=O)=O ZINC000285680183 196363968 /nfs/dbraw/zinc/36/39/68/196363968.db2.gz QYTYPDSIIYBDGP-NSHDSACASA-N 1 1 287.385 0.778 50 0 CCAAMO CN(C[C@@H]1CCC[N@@H+](Cc2ccno2)C1)S(C)(=O)=O ZINC000285680183 196363969 /nfs/dbraw/zinc/36/39/69/196363969.db2.gz 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CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cn(C)cn1 ZINC000072300173 176364391 /nfs/dbraw/zinc/36/43/91/176364391.db2.gz FPWBCXRTGQPYRU-VXGBXAGGSA-N 1 1 298.412 0.667 50 0 CCAAMO c1cn(CC[NH+]2CCCC2)c(-c2cc3n(n2)CCNC3)n1 ZINC000072408936 176398353 /nfs/dbraw/zinc/39/83/53/176398353.db2.gz TXKDAPHCEUHDNK-UHFFFAOYSA-N 1 1 286.383 0.946 50 0 CCAAMO Cn1ccnc1SCCNC[C@]1(O)CCC[NH2+]C1 ZINC000077505283 177276326 /nfs/dbraw/zinc/27/63/26/177276326.db2.gz HCYNJHJETUWMHB-LBPRGKRZSA-N 1 1 270.402 0.216 50 0 CCAAMO COC[C@H]1CCC[N@H+]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000085859358 544496694 /nfs/dbraw/zinc/49/66/94/544496694.db2.gz BLXFIKLWEHCXBV-QWHCGFSZSA-N 1 1 290.429 0.769 50 0 CCAAMO CN(CCCC[NH+]1CCOCC1)C(=O)c1ccc(N)nc1 ZINC000214998025 262338275 /nfs/dbraw/zinc/33/82/75/262338275.db2.gz FFONFWLNBCFTPE-UHFFFAOYSA-N 1 1 292.383 0.848 50 0 CCAAMO CC[N@H+]1CCCC[C@H]1C(=O)NCCc1c[nH]cn1 ZINC000097610268 276159295 /nfs/dbraw/zinc/15/92/95/276159295.db2.gz SZDZKMIJISFIFR-LBPRGKRZSA-N 1 1 250.346 0.943 50 0 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/nfs/dbraw/zinc/45/42/68/292454268.db2.gz WHLINNLGZKSEAB-CYBMUJFWSA-N 1 1 265.357 0.519 50 0 CCAAMO CCOc1ccc(C(=O)NN2CC[NH+](C)CC2)cc1 ZINC000004719207 170004633 /nfs/dbraw/zinc/00/46/33/170004633.db2.gz SZLGJUAZQOLHSK-UHFFFAOYSA-N 1 1 263.341 0.978 50 0 CCAAMO CC(C)N(C)S(=O)(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000048275518 411655916 /nfs/dbraw/zinc/65/59/16/411655916.db2.gz KDYDEFQTULQMAP-VXGBXAGGSA-N 1 1 275.418 0.788 50 0 CCAAMO Nc1nc(NCCc2ccncc2)cc([C@H]2CCOC2)[nH+]1 ZINC000426698529 411818674 /nfs/dbraw/zinc/81/86/74/411818674.db2.gz ZGNYCLKMAOSIBY-LBPRGKRZSA-N 1 1 285.351 1.034 50 0 CCAAMO CC(C)[C@H](O)C[N@H+]1CCC[C@H]1c1nc(=N)n(C)[nH]1 ZINC000660470193 414345302 /nfs/dbraw/zinc/34/53/02/414345302.db2.gz MXOFWIYNGQSPSI-VHSXEESVSA-N 1 1 253.350 0.381 50 0 CCAAMO CS(=O)(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000046071442 175391217 /nfs/dbraw/zinc/39/12/17/175391217.db2.gz MGGWLGOZYZNNRZ-UHFFFAOYSA-N 1 1 268.382 0.984 50 0 CCAAMO CCOCCN1CC[NH+](CCCN2CCCC2=O)CC1 ZINC000069698063 175847845 /nfs/dbraw/zinc/84/78/45/175847845.db2.gz YNMVOONIPNGKPW-UHFFFAOYSA-N 1 1 283.416 0.653 50 0 CCAAMO CC(C)(O)C[NH+]1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC000071381605 176145592 /nfs/dbraw/zinc/14/55/92/176145592.db2.gz OCEVYTKTMJCPJS-UHFFFAOYSA-N 1 1 278.352 0.921 50 0 CCAAMO COCCc1noc(CN2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)n1 ZINC000071864639 176281094 /nfs/dbraw/zinc/28/10/94/176281094.db2.gz AXPSOBBUXGFSPC-VXGBXAGGSA-N 1 1 298.387 0.145 50 0 CCAAMO C[C@@H](O)C[N@H+]1CCN(CC(=O)Nc2cccnc2)C[C@@H]1C ZINC000071864633 176281178 /nfs/dbraw/zinc/28/11/78/176281178.db2.gz HUORSKQOEYUPBQ-QWHCGFSZSA-N 1 1 292.383 0.407 50 0 CCAAMO C[C@@H](O)C[NH+]1CCN(C(=O)c2n[nH]c3c2CCC3)CC1 ZINC000071871277 176283657 /nfs/dbraw/zinc/28/36/57/176283657.db2.gz NZJSWEXZVSIOJS-SNVBAGLBSA-N 1 1 278.356 0.037 50 0 CCAAMO CS(=O)(=O)CCC[N@@H+]1CCCC[C@@H]1Cn1cncn1 ZINC000071876462 176285555 /nfs/dbraw/zinc/28/55/55/176285555.db2.gz ZACNGUYGGUCLHV-GFCCVEGCSA-N 1 1 286.401 0.567 50 0 CCAAMO CS(=O)(=O)CCC[N@H+]1CCCC[C@@H]1Cn1cncn1 ZINC000071876462 176285556 /nfs/dbraw/zinc/28/55/56/176285556.db2.gz ZACNGUYGGUCLHV-GFCCVEGCSA-N 1 1 286.401 0.567 50 0 CCAAMO CC[C@@H](O)C[NH+]1CCN(C(=O)CC(F)(F)F)CC1 ZINC000071880890 176287702 /nfs/dbraw/zinc/28/77/02/176287702.db2.gz OBIHICXEVQALHY-SECBINFHSA-N 1 1 268.279 0.854 50 0 CCAAMO CC(C)c1nccc(C[N@@H+]2CC[C@H](CO)[C@H](O)C2)n1 ZINC000072124110 176320169 /nfs/dbraw/zinc/32/01/69/176320169.db2.gz OBUNHTNRBKOZJV-DGCLKSJQSA-N 1 1 265.357 0.775 50 0 CCAAMO CC(C)c1nccc(C[N@H+]2CC[C@H](CO)[C@H](O)C2)n1 ZINC000072124110 176320170 /nfs/dbraw/zinc/32/01/70/176320170.db2.gz OBUNHTNRBKOZJV-DGCLKSJQSA-N 1 1 265.357 0.775 50 0 CCAAMO CCCc1cc(C(=O)NCCC[NH+]2CCOCC2)n(C)n1 ZINC000072170521 176333005 /nfs/dbraw/zinc/33/30/05/176333005.db2.gz CJDIDEJMGALTRD-UHFFFAOYSA-N 1 1 294.399 0.825 50 0 CCAAMO NC(=O)COc1coc(C[NH+]2CCCCC2)cc1=O ZINC000072401709 176397189 /nfs/dbraw/zinc/39/71/89/176397189.db2.gz JMORFIVZQGQTDR-UHFFFAOYSA-N 1 1 266.297 0.490 50 0 CCAAMO Cc1csc(CCCNC[C@]2(O)CC[NH2+]C2)n1 ZINC000077318901 177252110 /nfs/dbraw/zinc/25/21/10/177252110.db2.gz ZPXIZGZVNCPMRP-GFCCVEGCSA-N 1 1 255.387 0.698 50 0 CCAAMO O=C(c1ccncc1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000084615049 544491600 /nfs/dbraw/zinc/49/16/00/544491600.db2.gz SXJIEHSJBUMPBH-KGLIPLIRSA-N 1 1 275.352 0.753 50 0 CCAAMO COCC(=O)N[C@H]1C[C@@H](CO)[N@H+](Cc2ccc(C)o2)C1 ZINC000075403540 544462253 /nfs/dbraw/zinc/46/22/53/544462253.db2.gz OQIIZBDZCQMTRN-RYUDHWBXSA-N 1 1 282.340 0.286 50 0 CCAAMO COCC(=O)N[C@H]1C[C@@H](CO)[N@@H+](Cc2ccc(C)o2)C1 ZINC000075403540 544462257 /nfs/dbraw/zinc/46/22/57/544462257.db2.gz OQIIZBDZCQMTRN-RYUDHWBXSA-N 1 1 282.340 0.286 50 0 CCAAMO COCCC[N@H+]1CC[C@@H](N(Cc2noc(C)n2)C(C)=O)C1 ZINC000084281183 544489758 /nfs/dbraw/zinc/48/97/58/544489758.db2.gz SJRGRTFPNFTDBQ-CYBMUJFWSA-N 1 1 296.371 0.837 50 0 CCAAMO CN(CCCC[NH+]1CCOCC1)C(=O)c1cnco1 ZINC000222532964 544821103 /nfs/dbraw/zinc/82/11/03/544821103.db2.gz INNRPNGSTRHGNV-UHFFFAOYSA-N 1 1 267.329 0.859 50 0 CCAAMO CC1(C)NC(=O)N(CC[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)C1=O ZINC000044975610 276154418 /nfs/dbraw/zinc/15/44/18/276154418.db2.gz XIFFUCMBKDUPEF-NWDGAFQWSA-N 1 1 295.383 0.960 50 0 CCAAMO CC1(C)NC(=O)N(CC[N@H+]2CCO[C@@H]3CCCC[C@@H]32)C1=O ZINC000044975610 276154419 /nfs/dbraw/zinc/15/44/19/276154419.db2.gz XIFFUCMBKDUPEF-NWDGAFQWSA-N 1 1 295.383 0.960 50 0 CCAAMO CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000249051095 276179697 /nfs/dbraw/zinc/17/96/97/276179697.db2.gz FYXURWJCLNMXEB-MELADBBJSA-N 1 1 291.395 0.621 50 0 CCAAMO CC[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)CC1 ZINC000020018201 276189782 /nfs/dbraw/zinc/18/97/82/276189782.db2.gz OKQGTJIJDFHBHT-GFCCVEGCSA-N 1 1 281.400 0.798 50 0 CCAAMO C[N@H+]1CCC[C@@H]1C(=O)N1CCCN(c2cccnn2)CC1 ZINC000071871677 277055631 /nfs/dbraw/zinc/05/56/31/277055631.db2.gz CZBBHKYGODLKSG-CYBMUJFWSA-N 1 1 289.383 0.610 50 0 CCAAMO CC(=O)Nc1ccc(S(=O)(=O)N2CC[NH2+]CC2)cc1 ZINC000036089809 277081082 /nfs/dbraw/zinc/08/10/82/277081082.db2.gz HMBMCJNYWPOZKR-UHFFFAOYSA-N 1 1 283.353 0.239 50 0 CCAAMO COC(=O)[C@@]12CCC[C@H]1C[N@@H+](CC(=O)NC1CC1)C2 ZINC000097082987 277114959 /nfs/dbraw/zinc/11/49/59/277114959.db2.gz OJARMSNEUAHLQN-IINYFYTJSA-N 1 1 266.341 0.540 50 0 CCAAMO CC(C)(CNC(=O)CO)[N@H+]1CCc2ccccc2C1 ZINC000095451469 277300110 /nfs/dbraw/zinc/30/01/10/277300110.db2.gz PGYJHJNIORSHTM-UHFFFAOYSA-N 1 1 262.353 0.932 50 0 CCAAMO CC(C)(C)CN1CCC[C@@](O)(C[NH+]2CCOCC2)C1=O ZINC000020168249 278324549 /nfs/dbraw/zinc/32/45/49/278324549.db2.gz RGPMILKHGLSYOW-OAHLLOKOSA-N 1 1 284.400 0.718 50 0 CCAAMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCC2(C1)CCOCC2 ZINC000261895771 278517095 /nfs/dbraw/zinc/51/70/95/278517095.db2.gz HDBBJZBVRPBWLZ-NEPJUHHUSA-N 1 1 268.357 0.392 50 0 CCAAMO Cc1cnc(C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@H]32)cn1 ZINC000332212555 279008324 /nfs/dbraw/zinc/00/83/24/279008324.db2.gz JJVCGAYKDYCVRD-CHWSQXEVSA-N 1 1 276.340 0.330 50 0 CCAAMO C[C@H]([NH2+]C[C@@H](O)CN1CCN(C)CC1)[C@H](C)n1cccn1 ZINC000106790673 289963332 /nfs/dbraw/zinc/96/33/32/289963332.db2.gz NQVSQZYDAMLVTG-SOUVJXGZSA-N 1 1 295.431 0.031 50 0 CCAAMO CC(C)(C)NC(=O)CCN1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC000534642718 328329098 /nfs/dbraw/zinc/32/90/98/328329098.db2.gz RXDGXLXFSGFOSL-PTEHBNRSSA-N 1 1 253.390 0.960 50 0 CCAAMO CO[C@H]1C[N@@H+](C)C[C@@H]1NC(=O)CCCN1CCCCC1=O ZINC000534632422 328332141 /nfs/dbraw/zinc/33/21/41/328332141.db2.gz RHZSZAZZQOXYES-STQMWFEESA-N 1 1 297.399 0.224 50 0 CCAAMO CC[N@H+]1C[C@H](NC(=O)c2ccc(N(C)C)nc2)[C@@H](OC)C1 ZINC000534634159 328332864 /nfs/dbraw/zinc/33/28/64/328332864.db2.gz BKSTZJFZJRWXAC-STQMWFEESA-N 1 1 292.383 0.597 50 0 CCAAMO CCCn1nccc1S(=O)(=O)N1CC[NH2+]C[C@@H]1C ZINC000534635595 328333532 /nfs/dbraw/zinc/33/35/32/328333532.db2.gz FQMZCEMHRVAMHF-JTQLQIEISA-N 1 1 272.374 0.276 50 0 CCAAMO Cc1[nH+]ccn1CC(=O)N[C@H](c1ncnn1C)C(C)C ZINC000534656055 328339836 /nfs/dbraw/zinc/33/98/36/328339836.db2.gz ITRAYGGWHPWGTE-LBPRGKRZSA-N 1 1 276.344 0.834 50 0 CCAAMO CO[C@H]1C[N@@H+](C)C[C@@H]1NC(=O)c1cnc2ccnn2c1C ZINC000534663430 328351081 /nfs/dbraw/zinc/35/10/81/328351081.db2.gz BRCMEPOPFNJHLP-RYUDHWBXSA-N 1 1 289.339 0.097 50 0 CCAAMO COCCCNC(=O)CN(C)c1cc(C)cc[nH+]1 ZINC000195539152 336056015 /nfs/dbraw/zinc/05/60/15/336056015.db2.gz JGYJURALXBGBJC-UHFFFAOYSA-N 1 1 251.330 0.979 50 0 CCAAMO C[NH+]1CCN(C(=O)c2cc3c([nH]c2=O)CCCC3)CC1 ZINC000049551771 523880899 /nfs/dbraw/zinc/88/08/99/523880899.db2.gz AXDUCWQALLQRBX-UHFFFAOYSA-N 1 1 275.352 0.641 50 0 CCAAMO Cn1cc[nH+]c1N1CCN(C(=O)[C@H]2CCCOC2)CC1 ZINC000096436900 534791956 /nfs/dbraw/zinc/79/19/56/534791956.db2.gz OFERWNRFSWISJF-LBPRGKRZSA-N 1 1 278.356 0.495 50 0 CCAAMO O=C(CN1CCCC1)NC1CC[NH+](C2CCOCC2)CC1 ZINC000670450779 545235938 /nfs/dbraw/zinc/23/59/38/545235938.db2.gz YYXYBMCODIOUPG-UHFFFAOYSA-N 1 1 295.427 0.842 50 0 CCAAMO COCC[N@H+](C)CC(=O)NC[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000670458550 545236406 /nfs/dbraw/zinc/23/64/06/545236406.db2.gz ASENIYNHOLSBOK-LBPRGKRZSA-N 1 1 299.415 0.328 50 0 CCAAMO COCC[N@@H+](C)CC(=O)NC[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000670458550 545236407 /nfs/dbraw/zinc/23/64/07/545236407.db2.gz ASENIYNHOLSBOK-LBPRGKRZSA-N 1 1 299.415 0.328 50 0 CCAAMO CC[N@H+]1CCCC[C@H]1C(=O)NCc1nc(COC)no1 ZINC000670457644 545236479 /nfs/dbraw/zinc/23/64/79/545236479.db2.gz GQOCPLVCGGTQBP-JTQLQIEISA-N 1 1 282.344 0.707 50 0 CCAAMO CNC(=O)C[C@H]1CC[N@@H+](Cc2cnc(N)s2)C1 ZINC000670466072 545236890 /nfs/dbraw/zinc/23/68/90/545236890.db2.gz PFSZMVFNARMEQX-MRVPVSSYSA-N 1 1 254.359 0.683 50 0 CCAAMO CN1CC[NH+]([C@H]2CCN(C(=O)Cc3cccnc3)C2)CC1 ZINC000299796414 625665429 /nfs/dbraw/zinc/66/54/29/625665429.db2.gz OCXRECGFRHOGTE-HNNXBMFYSA-N 1 1 288.395 0.472 50 0 CCAAMO N[C@H](c1cccc(OC(F)(F)F)c1)C1(O)C[NH2+]C1 ZINC000958528349 631404990 /nfs/dbraw/zinc/40/49/90/631404990.db2.gz QDKUYPIWVYHDRE-SECBINFHSA-N 1 1 262.231 0.919 50 0 CCAAMO O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2CC[NH2+]C[C@H]12 ZINC000025416247 631574126 /nfs/dbraw/zinc/57/41/26/631574126.db2.gz GSPZEZGPRNSKMO-UONOGXRCSA-N 1 1 298.346 0.009 50 0 CCAAMO O[C@@H](CN1CCOCC1)C[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000195512789 649601831 /nfs/dbraw/zinc/60/18/31/649601831.db2.gz BIUNLOZCDUWLEG-CQSZACIVSA-N 1 1 294.399 0.282 50 0 CCAAMO Cc1nn(CCO)cc1CN(C)C[C@]1(C)CC[N@@H+](C)C1 ZINC000952983872 649614658 /nfs/dbraw/zinc/61/46/58/649614658.db2.gz YGECQTNXZSAVQY-OAHLLOKOSA-N 1 1 280.416 0.957 50 0 CCAAMO Cc1cc(N2CCC[N@@H+](CC(=O)N(C)C)CC2)ncn1 ZINC000952992945 649615348 /nfs/dbraw/zinc/61/53/48/649615348.db2.gz MVMMFYPIGIIRSI-UHFFFAOYSA-N 1 1 277.372 0.385 50 0 CCAAMO Cc1cc(N2CCC[N@H+](CC(=O)N(C)C)CC2)ncn1 ZINC000952992945 649615352 /nfs/dbraw/zinc/61/53/52/649615352.db2.gz MVMMFYPIGIIRSI-UHFFFAOYSA-N 1 1 277.372 0.385 50 0 CCAAMO CCCN(C)C(=O)[C@@H]1Cc2nc[nH]c2C2(CCOCC2)[NH2+]1 ZINC000675014100 811834397 /nfs/dbraw/zinc/83/43/97/811834397.db2.gz LUNCYQOOFLOBEU-LBPRGKRZSA-N 1 1 292.383 0.798 50 0 CCAAMO C[N@H+]1CCCC[C@@H]1CC(=O)NCCc1ncc[nH]1 ZINC000426705661 812984540 /nfs/dbraw/zinc/98/45/40/812984540.db2.gz JDYCKWUSIROOCX-LLVKDONJSA-N 1 1 250.346 0.943 50 0 CCAAMO C[C@@H](C[NH+]1CCCCC1)c1nc(CC(N)=O)n[nH]1 ZINC000822182800 821475675 /nfs/dbraw/zinc/47/56/75/821475675.db2.gz YJACJAXCNGQZQP-VIFPVBQESA-N 1 1 251.334 0.422 50 0 CCAAMO CCC(=O)N1CCC(C(=O)N2CCC[N@@H+](C)CC2)CC1 ZINC000822529705 821487256 /nfs/dbraw/zinc/48/72/56/821487256.db2.gz PUBHZYDTBMYUDV-UHFFFAOYSA-N 1 1 281.400 0.799 50 0 CCAAMO CN(C)S(=O)(=O)NC[C@@H]1Cc2ccccc2C[N@@H+]1C ZINC000823806217 821538101 /nfs/dbraw/zinc/53/81/01/821538101.db2.gz DHMRMQFTJXXRGA-ZDUSSCGKSA-N 1 1 283.397 0.439 50 0 CCAAMO CN(C)S(=O)(=O)NC[C@@H]1Cc2ccccc2C[N@H+]1C ZINC000823806217 821538107 /nfs/dbraw/zinc/53/81/07/821538107.db2.gz DHMRMQFTJXXRGA-ZDUSSCGKSA-N 1 1 283.397 0.439 50 0 CCAAMO Cc1ccc(C(=O)NCCC[N@H+]2CCC[C@@H](O)C2)c(=O)[nH]1 ZINC000828627460 821791169 /nfs/dbraw/zinc/79/11/69/821791169.db2.gz YJAKGJYKSBJKIS-GFCCVEGCSA-N 1 1 293.367 0.672 50 0 CCAAMO NC(=O)c1ccc(NCC[N@H+]2CCC[C@H](CO)C2)nc1 ZINC000828711137 821813263 /nfs/dbraw/zinc/81/32/63/821813263.db2.gz JAPCRUHWGUJVBL-NSHDSACASA-N 1 1 278.356 0.297 50 0 CCAAMO C[N@H+]1CCC[C@H]1C(=O)N1CCC2(CC1)CC(=O)NC(=O)C2 ZINC000952863040 841571633 /nfs/dbraw/zinc/57/16/33/841571633.db2.gz APOODNSKDUVDJP-NSHDSACASA-N 1 1 293.367 0.126 50 0 CCAAMO CC(C)[C@@H]1C=CCN1C(=O)[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC000952869478 841573838 /nfs/dbraw/zinc/57/38/38/841573838.db2.gz LJSJMRORFIPRHS-OLZOCXBDSA-N 1 1 279.384 0.607 50 0 CCAAMO Cc1nn(C)cc1C(=O)N1CCN(c2[nH+]ccn2C)CC1 ZINC000096436906 230372229 /nfs/dbraw/zinc/37/22/29/230372229.db2.gz JLHZPAYCULSPMA-UHFFFAOYSA-N 1 1 288.355 0.424 50 0 CCAAMO CS(=O)(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccn1)C2 ZINC000091706738 349472923 /nfs/dbraw/zinc/47/29/23/349472923.db2.gz DJUZNQUBIQKYEI-GXTWGEPZSA-N 1 1 295.408 0.937 50 0 CCAAMO CS(=O)(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccccn1)C2 ZINC000091706738 349472925 /nfs/dbraw/zinc/47/29/25/349472925.db2.gz DJUZNQUBIQKYEI-GXTWGEPZSA-N 1 1 295.408 0.937 50 0 CCAAMO CCC[N@H+]1CC[C@@H](CNc2cncc(C(N)=O)n2)C1 ZINC000092621909 349501106 /nfs/dbraw/zinc/50/11/06/349501106.db2.gz IZRWFMHNVCGEBG-JTQLQIEISA-N 1 1 263.345 0.719 50 0 CCAAMO NC(=O)C[NH+]1CCC(c2nc(-c3ccncc3)no2)CC1 ZINC000096130655 185103901 /nfs/dbraw/zinc/10/39/01/185103901.db2.gz CFOFMFOXSBSBER-UHFFFAOYSA-N 1 1 287.323 0.796 50 0 CCAAMO CC(C)c1cc(N[C@@H]2C[C@@H](CO)[N@H+](C)C2)nc(N)n1 ZINC000095356605 349601850 /nfs/dbraw/zinc/60/18/50/349601850.db2.gz IQWQJJBFHLMIAZ-ZJUUUORDSA-N 1 1 265.361 0.659 50 0 CCAAMO CC(C)c1cc(N[C@@H]2C[C@@H](CO)[N@@H+](C)C2)nc(N)n1 ZINC000095356605 349601853 /nfs/dbraw/zinc/60/18/53/349601853.db2.gz IQWQJJBFHLMIAZ-ZJUUUORDSA-N 1 1 265.361 0.659 50 0 CCAAMO CCC[N@@H+]1CCN(CCn2cc[nH+]c2C)C[C@H](C(=O)[O-])C1 ZINC000097468198 349641593 /nfs/dbraw/zinc/64/15/93/349641593.db2.gz NYXXUWUJGYFSTC-CQSZACIVSA-N 1 1 294.399 0.920 50 0 CCAAMO CCC[N@H+]1CCN(CCn2cc[nH+]c2C)C[C@H](C(=O)[O-])C1 ZINC000097468198 349641597 /nfs/dbraw/zinc/64/15/97/349641597.db2.gz 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CRSIITYJKHHGGJ-CYBMUJFWSA-N 1 1 292.379 0.972 50 0 CCAAMO CC[NH+]1CCN(C(=O)c2cc(C)nc(OC)n2)CC1 ZINC000072240436 176348437 /nfs/dbraw/zinc/34/84/37/176348437.db2.gz XDYYKUDMSSVGIX-UHFFFAOYSA-N 1 1 264.329 0.571 50 0 CCAAMO O=S(=O)(c1cncc(F)c1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000072277722 176356903 /nfs/dbraw/zinc/35/69/03/176356903.db2.gz WQGHNPIQKYMHTL-LLVKDONJSA-N 1 1 285.344 0.689 50 0 CCAAMO CC[C@@H]1CN(Cc2noc(C)n2)CC[N@H+]1C[C@@H](C)O ZINC000072279732 176358355 /nfs/dbraw/zinc/35/83/55/176358355.db2.gz UPSACEMCCUXQBC-ZYHUDNBSSA-N 1 1 268.361 0.655 50 0 CCAAMO O=C(CCN1Cc2ccccc2C1)N[C@@H]1CC[NH2+]C[C@H]1O ZINC000077488644 177274333 /nfs/dbraw/zinc/27/43/33/177274333.db2.gz DNVCUSJXSCXBLD-HUUCEWRRSA-N 1 1 289.379 0.231 50 0 CCAAMO O[C@]1(C[NH2+]CCSc2ccccn2)CNCCOC1 ZINC000077504885 177276030 /nfs/dbraw/zinc/27/60/30/177276030.db2.gz JVOVDDHMIVUWGS-ZDUSSCGKSA-N 1 1 283.397 0.114 50 0 CCAAMO Cc1cc(C)n(CCC[N@H+](C)C[C@@]2(O)CNCCOC2)n1 ZINC000077518695 177277645 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/nfs/dbraw/zinc/63/01/05/821630105.db2.gz LBUYUQKBPKLBHF-SECBINFHSA-N 1 1 284.385 0.423 50 0 CCAAMO O[C@H]1CN(C2CSCCSC2)C[C@@H]1[NH+]1CCCC1 ZINC000828896753 821846586 /nfs/dbraw/zinc/84/65/86/821846586.db2.gz MGVVAKMGRPAMPY-STQMWFEESA-N 1 1 288.482 0.976 50 0 CCAAMO O[C@H]1C[N@H+](C2CSCCSC2)C[C@@H]1N1CCCC1 ZINC000828896753 821846575 /nfs/dbraw/zinc/84/65/75/821846575.db2.gz MGVVAKMGRPAMPY-STQMWFEESA-N 1 1 288.482 0.976 50 0 CCAAMO NC(=O)c1ccnc(NCC[N@H+]2CCC[C@H](CO)C2)c1 ZINC000952871967 841577063 /nfs/dbraw/zinc/57/70/63/841577063.db2.gz FEXRMYXPKTXHLF-NSHDSACASA-N 1 1 278.356 0.297 50 0 CCAAMO CS(=O)(=O)N1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000055487303 897972367 /nfs/dbraw/zinc/97/23/67/897972367.db2.gz YACWPFGBWOAOOK-UHFFFAOYSA-N 1 1 280.393 0.731 50 0 CCAAMO CC(C)c1[nH+]ccn1[C@H](C)C(=O)N(C)CC(N)=O ZINC000095509516 185001556 /nfs/dbraw/zinc/00/15/56/185001556.db2.gz OEIRKZSDDQLVSH-SECBINFHSA-N 1 1 252.318 0.511 50 0 CCAAMO CSCCC[N@H+]1C[C@H](NC(=O)CO)[C@@H](C2CC2)C1 ZINC000091416480 349461996 /nfs/dbraw/zinc/46/19/96/349461996.db2.gz MWXJKLOKAHPDHG-NEPJUHHUSA-N 1 1 272.414 0.558 50 0 CCAAMO C[N@H+]1CCN(Cc2ncc[nH]2)C[C@]12CCNC(=O)CC2 ZINC000095381412 349604857 /nfs/dbraw/zinc/60/48/57/349604857.db2.gz YJUFZLVYSMEDKN-AWEZNQCLSA-N 1 1 277.372 0.196 50 0 CCAAMO CC[NH+]1CCC(CC(=O)N[C@H](C)c2nn[nH]n2)CC1 ZINC000095368920 349604190 /nfs/dbraw/zinc/60/41/90/349604190.db2.gz QHJBFGGYNUAHFP-SECBINFHSA-N 1 1 266.349 0.499 50 0 CCAAMO CS[C@H]1CCCC[N@@H+](CCNS(C)(=O)=O)C1 ZINC000095432363 349609925 /nfs/dbraw/zinc/60/99/25/349609925.db2.gz OVFHWMPZQVRHHZ-JTQLQIEISA-N 1 1 266.432 0.753 50 0 CCAAMO CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2cccn2C)C1 ZINC000097051785 349625303 /nfs/dbraw/zinc/62/53/03/349625303.db2.gz VWXDDGPXHMNZGP-GFCCVEGCSA-N 1 1 271.386 0.539 50 0 CCAAMO CCNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cccn2C)C1 ZINC000097051785 349625306 /nfs/dbraw/zinc/62/53/06/349625306.db2.gz VWXDDGPXHMNZGP-GFCCVEGCSA-N 1 1 271.386 0.539 50 0 CCAAMO Cn1cc(C[NH2+]Cc2cccnc2N2CCOCC2)cn1 ZINC000097197980 349632674 /nfs/dbraw/zinc/63/26/74/349632674.db2.gz KCEXGAIQHBKIPY-UHFFFAOYSA-N 1 1 287.367 0.942 50 0 CCAAMO CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)[C@@H](C)COC ZINC000097165421 349631245 /nfs/dbraw/zinc/63/12/45/349631245.db2.gz YQMSCPBIVBPPSB-WDEREUQCSA-N 1 1 264.391 0.425 50 0 CCAAMO COCCC[N@H+]1CC[C@@H](CNC(=O)c2cc(C)nn2C)C1 ZINC000097425387 349640937 /nfs/dbraw/zinc/64/09/37/349640937.db2.gz JYGRWLJBOVCAEW-ZDUSSCGKSA-N 1 1 294.399 0.817 50 0 CCAAMO Cc1n[nH]c(C[N@@H+]2C[C@@H]3C[C@@H](O)[C@@H](O)C[C@@H]3C2)c1Cl ZINC000097759192 349647706 /nfs/dbraw/zinc/64/77/06/349647706.db2.gz PUMLGMUEFVKLGJ-CDJYRKNRSA-N 1 1 285.775 0.935 50 0 CCAAMO CCS(=O)(=O)CCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000097527193 349643600 /nfs/dbraw/zinc/64/36/00/349643600.db2.gz RVPFYYFZDRBKCW-UHFFFAOYSA-N 1 1 298.408 0.913 50 0 CCAAMO C[N@H+](CC(=O)NC(=O)NC1CCCCC1)C1CC(O)C1 ZINC000097376381 282351121 /nfs/dbraw/zinc/35/11/21/282351121.db2.gz LRNKCISIHMMVTN-UHFFFAOYSA-N 1 1 283.372 0.600 50 0 CCAAMO 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O=C([C@@H]1CSC[NH2+]1)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000178154083 296063373 /nfs/dbraw/zinc/06/33/73/296063373.db2.gz SZUPCXLRFHENES-XPUUQOCRSA-N 1 1 270.276 0.175 50 0 CCAAMO Cc1cc(C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)no1 ZINC000225626860 189760184 /nfs/dbraw/zinc/76/01/84/189760184.db2.gz HZWWJCFHAZDFDD-GFCCVEGCSA-N 1 1 279.340 0.654 50 0 CCAAMO CCO[C@@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CC2)[C@@H]1OC ZINC000333019487 335055391 /nfs/dbraw/zinc/05/53/91/335055391.db2.gz XESHLEKGNVPFNI-DGAVXFQQSA-N 1 1 282.384 0.922 50 0 CCAAMO O=S(=O)(CC[N@@H+]1CCC[C@H](O)C1)Oc1ccccc1 ZINC000024094093 388806843 /nfs/dbraw/zinc/80/68/43/388806843.db2.gz UJZFNMMBMUZVEM-LBPRGKRZSA-N 1 1 285.365 0.852 50 0 CCAAMO COc1cccc(C[N@@H+](C)CCC(=O)NC(N)=O)c1OC ZINC000011222754 388770655 /nfs/dbraw/zinc/77/06/55/388770655.db2.gz NEOFUMWSWDCSEO-UHFFFAOYSA-N 1 1 295.339 0.721 50 0 CCAAMO NC(=O)[C@@H](c1ccccc1)[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000025316618 388814544 /nfs/dbraw/zinc/81/45/44/388814544.db2.gz 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CCOC[C@@H](O)C[N@H+]1CCN(C(C)=O)CC1(C)C ZINC000096492506 389062241 /nfs/dbraw/zinc/06/22/41/389062241.db2.gz FGOGPGDNSCIZSM-LBPRGKRZSA-N 1 1 258.362 0.327 50 0 CCAAMO Cc1nc(CC(=O)NCC[N@H+]2CCCC[C@H]2CO)cs1 ZINC000096138076 389045387 /nfs/dbraw/zinc/04/53/87/389045387.db2.gz HZNSQHXWYHRXAT-ZDUSSCGKSA-N 1 1 297.424 0.957 50 0 CCAAMO CCCCn1nc(CC(N)=O)nc1Cn1c[nH+]c(C)c1C ZINC000096151771 389045997 /nfs/dbraw/zinc/04/59/97/389045997.db2.gz AYQORBFDBROLPP-UHFFFAOYSA-N 1 1 290.371 0.968 50 0 CCAAMO COC(=O)CNC(=O)CC[N@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000230208228 389158477 /nfs/dbraw/zinc/15/84/77/389158477.db2.gz LUHLDCGYGQPPIW-NEPJUHHUSA-N 1 1 284.356 0.309 50 0 CCAAMO C[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2)C[C@H](CO)O1 ZINC000248878634 389250661 /nfs/dbraw/zinc/25/06/61/389250661.db2.gz WLOFNQGLIRLDRB-MRVWCRGKSA-N 1 1 251.326 0.802 50 0 CCAAMO C[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2)C[C@H](CO)O1 ZINC000248878634 389250665 /nfs/dbraw/zinc/25/06/65/389250665.db2.gz WLOFNQGLIRLDRB-MRVWCRGKSA-N 1 1 251.326 0.802 50 0 CCAAMO COCC[N@H+]1CCC[C@@H](NC(=O)c2cccnc2)C1 ZINC000408512851 389371684 /nfs/dbraw/zinc/37/16/84/389371684.db2.gz HRWYPTNNIHBILS-CYBMUJFWSA-N 1 1 263.341 0.922 50 0 CCAAMO CN(CC[N@@H+](C)C1CC1)C(=O)[C@@H]1CC[C@H]1C(N)=O ZINC000408518001 389372952 /nfs/dbraw/zinc/37/29/52/389372952.db2.gz RKADSLSAPPMMDQ-GHMZBOCLSA-N 1 1 253.346 0.051 50 0 CCAAMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)Cc1ccsc1 ZINC000264700759 389346833 /nfs/dbraw/zinc/34/68/33/389346833.db2.gz CYPJMLLEQJJPDI-GFCCVEGCSA-N 1 1 267.398 0.653 50 0 CCAAMO C[C@H]1CN(c2ncccn2)CC[N@H+]1CC(C)(C)O ZINC000275593978 389513276 /nfs/dbraw/zinc/51/32/76/389513276.db2.gz RNNDJKWSVUIILJ-NSHDSACASA-N 1 1 250.346 0.758 50 0 CCAAMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)Cn2ccnn2)C1 ZINC000426405160 389665395 /nfs/dbraw/zinc/66/53/95/389665395.db2.gz OLLGRVIBXNULKI-LBPRGKRZSA-N 1 1 265.361 0.515 50 0 CCAAMO Cc1nc([C@H](C)NC(=O)C[N@H+](C)CCO)cs1 ZINC000426435447 389667510 /nfs/dbraw/zinc/66/75/10/389667510.db2.gz SJIQGYSURHODRV-QMMMGPOBSA-N 1 1 257.359 0.553 50 0 CCAAMO Cc1nc([C@H](C)NC(=O)C[N@@H+](C)CCO)cs1 ZINC000426435447 389667515 /nfs/dbraw/zinc/66/75/15/389667515.db2.gz SJIQGYSURHODRV-QMMMGPOBSA-N 1 1 257.359 0.553 50 0 CCAAMO C[C@@H]1C[NH2+]CCN1S(=O)(=O)CCOc1ccccc1 ZINC000426534547 389671952 /nfs/dbraw/zinc/67/19/52/389671952.db2.gz XPHQRZKYKFNXGG-GFCCVEGCSA-N 1 1 284.381 0.689 50 0 CCAAMO CC[N@H+]1CCC[C@@H](CN(C)C(=O)Cn2ccnn2)C1 ZINC000426527703 389672126 /nfs/dbraw/zinc/67/21/26/389672126.db2.gz GUJDODBJZPWNML-LBPRGKRZSA-N 1 1 265.361 0.468 50 0 CCAAMO CC1CCC(N(C)C(=O)C[N@H+]2C[C@H](O)C[C@]2(C)CO)CC1 ZINC000583650906 390303233 /nfs/dbraw/zinc/30/32/33/390303233.db2.gz BHGZGHZCPGUCHR-UWTIDYAISA-N 1 1 298.427 0.841 50 0 CCAAMO Cn1cc[nH+]c1N1CCN(c2ncc(F)cn2)CC1 ZINC000269440035 132171313 /nfs/dbraw/zinc/17/13/13/132171313.db2.gz AWQNCPKSAIFQRT-UHFFFAOYSA-N 1 1 262.292 0.676 50 0 CCAAMO COCC[N@@H+]1CCN([C@H](C)C(=O)N2CCCC2)C[C@@H]1C ZINC000106786624 411699176 /nfs/dbraw/zinc/69/91/76/411699176.db2.gz GYTGFTDAFIYKHN-UONOGXRCSA-N 1 1 283.416 0.650 50 0 CCAAMO COCC[N@H+]1CCN([C@H](C)C(=O)N2CCCC2)C[C@@H]1C ZINC000106786624 411699181 /nfs/dbraw/zinc/69/91/81/411699181.db2.gz GYTGFTDAFIYKHN-UONOGXRCSA-N 1 1 283.416 0.650 50 0 CCAAMO CNC(=O)[C@H](C)C[N@@H+](C)[C@H](C)C(=O)NCC(F)(F)F ZINC000108124013 411700630 /nfs/dbraw/zinc/70/06/30/411700630.db2.gz BBEAQNFQBMDESV-HTQZYQBOSA-N 1 1 283.294 0.367 50 0 CCAAMO Nc1nc(N2CCSCC2)cc([C@H]2CCOC2)[nH+]1 ZINC000426421008 411819245 /nfs/dbraw/zinc/81/92/45/411819245.db2.gz AYXLOKUFPAQPPO-VIFPVBQESA-N 1 1 266.370 1.116 50 0 CCAAMO Cn1ccnc1CNc1cc([C@H]2CCOC2)[nH+]c(N)n1 ZINC000426498533 411819541 /nfs/dbraw/zinc/81/95/41/411819541.db2.gz KJNHJZZLPVFHBK-VIFPVBQESA-N 1 1 274.328 0.330 50 0 CCAAMO CCN1C[C@H](CNc2[nH+]cnc3[nH]ccc32)CC1=O ZINC000651422431 411866448 /nfs/dbraw/zinc/86/64/48/411866448.db2.gz ZRMNOKWNWHPCDD-VIFPVBQESA-N 1 1 259.313 0.660 50 0 CCAAMO CCOC(=O)N1CC[C@@H]([NH2+]Cc2csc(N)n2)C1 ZINC000584894946 411833794 /nfs/dbraw/zinc/83/37/94/411833794.db2.gz LZKRHVQASQBTLG-MRVPVSSYSA-N 1 1 270.358 1.046 50 0 CCAAMO COc1cc(NC(=N)NC(N)=[NH2+])cc(OC)c1OC ZINC000020286646 171133394 /nfs/dbraw/zinc/13/33/94/171133394.db2.gz RIVSLRYFRNAXTI-UHFFFAOYSA-N 1 1 267.289 0.542 50 0 CCAAMO Cc1c(C)n(CCN2CCOCC2)c2nc[nH+]c(N)c12 ZINC000020573448 171256026 /nfs/dbraw/zinc/25/60/26/171256026.db2.gz FJWKFDWILVJCLY-UHFFFAOYSA-N 1 1 275.356 0.963 50 0 CCAAMO Cc1c(C)n(CC[NH+]2CCOCC2)c2ncnc(N)c12 ZINC000020573448 171256028 /nfs/dbraw/zinc/25/60/28/171256028.db2.gz FJWKFDWILVJCLY-UHFFFAOYSA-N 1 1 275.356 0.963 50 0 CCAAMO O=C(NCc1ccccc1)N1CC[NH+](CCO)CC1 ZINC000020653674 171269629 /nfs/dbraw/zinc/26/96/29/171269629.db2.gz FQFDKBAIDHOSEC-UHFFFAOYSA-N 1 1 263.341 0.506 50 0 CCAAMO CN1CC[NH+](CCCNC(=O)c2ccco2)CC1 ZINC000020726878 171270928 /nfs/dbraw/zinc/27/09/28/171270928.db2.gz YVWQHSARKDRVLS-UHFFFAOYSA-N 1 1 251.330 0.647 50 0 CCAAMO OCC[NH+]1CCN(Cc2nc(-c3ccccn3)no2)CC1 ZINC000020997438 171284134 /nfs/dbraw/zinc/28/41/34/171284134.db2.gz JVSCLQINCUEGCM-UHFFFAOYSA-N 1 1 289.339 0.242 50 0 CCAAMO O=C(C[NH+]1CCC(O)CC1)NC(=O)NCc1cccs1 ZINC000021671797 171319074 /nfs/dbraw/zinc/31/90/74/171319074.db2.gz ITPXSSIQPDHEGQ-UHFFFAOYSA-N 1 1 297.380 0.531 50 0 CCAAMO COc1cccc(OC)c1OCCOCC[NH2+]CCN ZINC000022079141 171352690 /nfs/dbraw/zinc/35/26/90/171352690.db2.gz XGDDXOYKGVJEGX-UHFFFAOYSA-N 1 1 284.356 0.648 50 0 CCAAMO C[NH+]1CCN(CCC(=O)NCc2ccccc2)CC1 ZINC000022590980 171393507 /nfs/dbraw/zinc/39/35/07/171393507.db2.gz JFIFOZZHMXSOAZ-UHFFFAOYSA-N 1 1 261.369 0.940 50 0 CCAAMO CCNC(=O)C[C@@H]1CCCC[N@@H+]1Cc1nccc(N)n1 ZINC000284995691 196173292 /nfs/dbraw/zinc/17/32/92/196173292.db2.gz YPHVOTUDHAIFAE-NSHDSACASA-N 1 1 277.372 0.940 50 0 CCAAMO CCNC(=O)C[C@@H]1CCCC[N@H+]1Cc1nccc(N)n1 ZINC000284995691 196173294 /nfs/dbraw/zinc/17/32/94/196173294.db2.gz YPHVOTUDHAIFAE-NSHDSACASA-N 1 1 277.372 0.940 50 0 CCAAMO c1nc2n(n1)C[C@@H]([NH2+]Cc1cnn(-c3ccccc3)n1)CC2 ZINC000069596039 175842290 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C[C@@H](O)C[N@H+]1CCN(CCC(=O)NC(C)(C)C)C[C@@H]1C ZINC000072279678 348919538 /nfs/dbraw/zinc/91/95/38/348919538.db2.gz MEOZEFQDBVZOIU-QWHCGFSZSA-N 1 1 285.432 0.678 50 0 CCAAMO C[C@@H](O)CN1CC[N@H+](CCC(=O)NC(C)(C)C)C[C@@H]1C ZINC000072279678 348919540 /nfs/dbraw/zinc/91/95/40/348919540.db2.gz MEOZEFQDBVZOIU-QWHCGFSZSA-N 1 1 285.432 0.678 50 0 CCAAMO C[C@@H](O)CN1CC[N@@H+](CCC(=O)NC(C)(C)C)C[C@@H]1C ZINC000072279678 348919543 /nfs/dbraw/zinc/91/95/43/348919543.db2.gz MEOZEFQDBVZOIU-QWHCGFSZSA-N 1 1 285.432 0.678 50 0 CCAAMO Cc1cccc(C(=O)N2CC[NH+](C[C@H](C)O)CC2)n1 ZINC000075602883 349040660 /nfs/dbraw/zinc/04/06/60/349040660.db2.gz HHSHNBRWNZXHMT-LBPRGKRZSA-N 1 1 263.341 0.529 50 0 CCAAMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC(Nc2cccnn2)CC1 ZINC000075603327 349040684 /nfs/dbraw/zinc/04/06/84/349040684.db2.gz WZOSQVCAINZPMN-CYBMUJFWSA-N 1 1 289.383 0.974 50 0 CCAAMO CCc1nc(CN(C)[C@H]2CC[N@H+](CC(=O)N(C)C)C2)no1 ZINC000076047385 349065123 /nfs/dbraw/zinc/06/51/23/349065123.db2.gz 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ZINC000089448574 349387612 /nfs/dbraw/zinc/38/76/12/349387612.db2.gz GTBNAPOYCSGVAN-NEPJUHHUSA-N 1 1 292.383 0.937 50 0 CCAAMO COCC[N@H+](C)CC(=O)N1CCC[C@@](CO)(CC2CC2)C1 ZINC000091644346 180215068 /nfs/dbraw/zinc/21/50/68/180215068.db2.gz REUVDZNTKUBSHQ-MRXNPFEDSA-N 1 1 298.427 0.966 50 0 CCAAMO COCC[N@@H+](C)CC(=O)N1CCC[C@@](CO)(CC2CC2)C1 ZINC000091644346 180215070 /nfs/dbraw/zinc/21/50/70/180215070.db2.gz REUVDZNTKUBSHQ-MRXNPFEDSA-N 1 1 298.427 0.966 50 0 CCAAMO O=C(NC[C@H]1C[NH2+]CCO1)c1n[nH]c2ccccc21 ZINC000134252208 350358442 /nfs/dbraw/zinc/35/84/42/350358442.db2.gz PCZLJGHHPPCFMC-SECBINFHSA-N 1 1 260.297 0.281 50 0 CCAAMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)[C@H]1CCS(=O)(=O)C1 ZINC000106079186 186101919 /nfs/dbraw/zinc/10/19/19/186101919.db2.gz ZTDOFYWIYYORKQ-QJPTWQEYSA-N 1 1 286.397 0.164 50 0 CCAAMO C[C@H](CNC(=O)c1nccnc1N)[N@H+]1CCC[C@@H](C)C1 ZINC000106574901 186126787 /nfs/dbraw/zinc/12/67/87/186126787.db2.gz WITCSNBIPQVPPR-GHMZBOCLSA-N 1 1 277.372 0.909 50 0 CCAAMO CC(C)[N@H+]1C[C@@H](C)[C@H](NS(=O)(=O)Cc2ccon2)C1 ZINC000107059091 186157728 /nfs/dbraw/zinc/15/77/28/186157728.db2.gz DYXTVJKUROANRI-ZYHUDNBSSA-N 1 1 287.385 0.823 50 0 CCAAMO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2cn[nH]n2)C1 ZINC000161963914 350733058 /nfs/dbraw/zinc/73/30/58/350733058.db2.gz KBYPRWXSRZIJPY-SNVBAGLBSA-N 1 1 251.334 0.512 50 0 CCAAMO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cnn[nH]2)C1 ZINC000161963914 350733060 /nfs/dbraw/zinc/73/30/60/350733060.db2.gz KBYPRWXSRZIJPY-SNVBAGLBSA-N 1 1 251.334 0.512 50 0 CCAAMO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2cnn[nH]2)C1 ZINC000161963914 350733062 /nfs/dbraw/zinc/73/30/62/350733062.db2.gz KBYPRWXSRZIJPY-SNVBAGLBSA-N 1 1 251.334 0.512 50 0 CCAAMO COC(CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)OC ZINC000162079979 350735522 /nfs/dbraw/zinc/73/55/22/350735522.db2.gz KDYNOMPBOMPVHB-YIONKMFJSA-N 1 1 297.443 0.848 50 0 CCAAMO COC[C@@H](O)C[N@@H+](C)C[C@@H](O)c1cccc(F)c1 ZINC000195530858 351918201 /nfs/dbraw/zinc/91/82/01/351918201.db2.gz QYRDPUZFLMJLPS-QWHCGFSZSA-N 1 1 257.305 0.798 50 0 CCAAMO Cc1nc([C@H](C)NC(=O)CC[NH+]2CCCC2)n[nH]1 ZINC000216307780 351941209 /nfs/dbraw/zinc/94/12/09/351941209.db2.gz FJQAAVDRTLJLNR-VIFPVBQESA-N 1 1 251.334 0.776 50 0 CCAAMO Cc1[nH+]cn(CC(=O)N2CCn3nc(CO)cc3C2)c1C ZINC000219259560 351965817 /nfs/dbraw/zinc/96/58/17/351965817.db2.gz OVPJMXGABVCIBD-UHFFFAOYSA-N 1 1 289.339 0.231 50 0 CCAAMO CCN(Cc1noc(C)n1)C(=O)C[N@@H+]1CCC[C@@H](O)C1 ZINC000220353366 351972790 /nfs/dbraw/zinc/97/27/90/351972790.db2.gz SEUINSWIZGXVPH-LLVKDONJSA-N 1 1 282.344 0.183 50 0 CCAAMO CCN(Cc1noc(C)n1)C(=O)C[N@H+]1CCC[C@@H](O)C1 ZINC000220353366 351972791 /nfs/dbraw/zinc/97/27/91/351972791.db2.gz SEUINSWIZGXVPH-LLVKDONJSA-N 1 1 282.344 0.183 50 0 CCAAMO Cc1n[nH]c(C)c1[C@@H]([NH3+])C(=O)NCCCc1ncc[nH]1 ZINC000220487512 351973206 /nfs/dbraw/zinc/97/32/06/351973206.db2.gz DQMBFYFGABQZOM-GFCCVEGCSA-N 1 1 276.344 0.498 50 0 CCAAMO CN(C)C1(CNC(=O)c2ccc[nH]2)CC[NH+](C)CC1 ZINC000220687620 351974575 /nfs/dbraw/zinc/97/45/75/351974575.db2.gz GZCBNWSNTUGABA-UHFFFAOYSA-N 1 1 264.373 0.771 50 0 CCAAMO C[C@H](C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)n1cncn1 ZINC000229387328 352090964 /nfs/dbraw/zinc/09/09/64/352090964.db2.gz HTTKAWHYGRECSY-UTUOFQBUSA-N 1 1 263.345 0.582 50 0 CCAAMO CCN1CC[C@H]([N@H+](C)CCn2cncn2)[C@@H](C)C1 ZINC000229859189 352097380 /nfs/dbraw/zinc/09/73/80/352097380.db2.gz VINIXQAKHNTVQY-STQMWFEESA-N 1 1 251.378 0.940 50 0 CCAAMO CCN1CC[C@H]([N@@H+](C)CCn2cncn2)[C@@H](C)C1 ZINC000229859189 352097381 /nfs/dbraw/zinc/09/73/81/352097381.db2.gz VINIXQAKHNTVQY-STQMWFEESA-N 1 1 251.378 0.940 50 0 CCAAMO CC[N@@H+]1CC[C@H](N(C)CCn2cncn2)[C@@H](C)C1 ZINC000229859189 352097384 /nfs/dbraw/zinc/09/73/84/352097384.db2.gz VINIXQAKHNTVQY-STQMWFEESA-N 1 1 251.378 0.940 50 0 CCAAMO CC[N@H+]1CC[C@H](N(C)CCn2cncn2)[C@@H](C)C1 ZINC000229859189 352097386 /nfs/dbraw/zinc/09/73/86/352097386.db2.gz VINIXQAKHNTVQY-STQMWFEESA-N 1 1 251.378 0.940 50 0 CCAAMO O[C@@H](Cn1cccn1)C[N@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000230198425 352107650 /nfs/dbraw/zinc/10/76/50/352107650.db2.gz AWOHLRJBHMHKEK-MGPQQGTHSA-N 1 1 265.357 0.887 50 0 CCAAMO O=C(NCCOc1ncccc1Cl)[C@H]1COCC[NH2+]1 ZINC000237681304 352279118 /nfs/dbraw/zinc/27/91/18/352279118.db2.gz SDIZVKJVCXCKDN-SNVBAGLBSA-N 1 1 285.731 0.218 50 0 CCAAMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)N[C@H]2CCOC2)C1 ZINC000246042076 352345465 /nfs/dbraw/zinc/34/54/65/352345465.db2.gz XFRRJZDQAIFTJH-RWMBFGLXSA-N 1 1 267.373 0.901 50 0 CCAAMO c1ccc(N2CC[NH+](C[C@@H]3COCCO3)CC2)nc1 ZINC000252481531 352515976 /nfs/dbraw/zinc/51/59/76/352515976.db2.gz CNOLHWZODIMSMI-CYBMUJFWSA-N 1 1 263.341 0.619 50 0 CCAAMO COc1cc(NC(=O)CC[NH+]2CC(O)C2)cc(OC)c1 ZINC000252484926 352516396 /nfs/dbraw/zinc/51/63/96/352516396.db2.gz GKNOYYUQYIZGFU-UHFFFAOYSA-N 1 1 280.324 0.709 50 0 CCAAMO OC[C@@H]1CCC[N@H+]1C[C@H]1CCCN1C[C@@H](O)C(F)(F)F ZINC000253370478 352532190 /nfs/dbraw/zinc/53/21/90/352532190.db2.gz RHFGWICGQBWPCV-GRYCIOLGSA-N 1 1 296.333 0.831 50 0 CCAAMO OC[C@@H]1CCC[N@H+]1C[C@H]1CCCN1C[C@H](O)C(F)(F)F ZINC000253370479 352532376 /nfs/dbraw/zinc/53/23/76/352532376.db2.gz RHFGWICGQBWPCV-WOPDTQHZSA-N 1 1 296.333 0.831 50 0 CCAAMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1Cn1cccn1 ZINC000257365628 352553896 /nfs/dbraw/zinc/55/38/96/352553896.db2.gz BDCQWHFLPYGNGG-QWHCGFSZSA-N 1 1 262.357 0.968 50 0 CCAAMO Cc1nonc1CC(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000328598568 354233084 /nfs/dbraw/zinc/23/30/84/354233084.db2.gz NGYMPQPAPIVLHS-UHFFFAOYSA-N 1 1 252.318 0.473 50 0 CCAAMO C[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H](C2CC2)O1 ZINC000329902312 354271355 /nfs/dbraw/zinc/27/13/55/354271355.db2.gz PHEOMHKFQPRMKA-KWCYVHTRSA-N 1 1 265.357 0.743 50 0 CCAAMO O=C(NCC[N@@H+]1CCC[C@@H](CO)C1)c1c(O)cccc1O ZINC000584887576 359226918 /nfs/dbraw/zinc/22/69/18/359226918.db2.gz GHNHONGJIYWIAR-LLVKDONJSA-N 1 1 294.351 0.532 50 0 CCAAMO CN(CCC[NH+]1CCOCC1)C(=O)C[C@@H]1CCCOC1 ZINC000584888125 359227655 /nfs/dbraw/zinc/22/76/55/359227655.db2.gz NIRNYOMBRGMZJZ-AWEZNQCLSA-N 1 1 284.400 0.984 50 0 CCAAMO C[N@H+]1CCOC[C@@H](CNC(=O)c2cncc(O)c2)C1 ZINC000584892195 359231543 /nfs/dbraw/zinc/23/15/43/359231543.db2.gz CQXGNZKRQGXPJY-JTQLQIEISA-N 1 1 265.313 0.095 50 0 CCAAMO CC(C)[N@H+]1CCCN(C(=O)CN2CCC[C@@H](O)C2)CC1 ZINC000584893524 359234357 /nfs/dbraw/zinc/23/43/57/359234357.db2.gz CARAAGDBMNDVNG-CQSZACIVSA-N 1 1 283.416 0.386 50 0 CCAAMO CC[N@@H+]1[C@H](C)CN(C(=O)c2ccn(C)n2)C[C@@H]1C ZINC000585140505 359252787 /nfs/dbraw/zinc/25/27/87/359252787.db2.gz GHMYYEBCXMVDRZ-PHIMTYICSA-N 1 1 250.346 0.975 50 0 CCAAMO Cc1ccc([C@H](C(=O)N2CCCNC(=O)C2)[NH+](C)C)cc1 ZINC000584885325 359224907 /nfs/dbraw/zinc/22/49/07/359224907.db2.gz QMJNJJOCPZAFRU-OAHLLOKOSA-N 1 1 289.379 0.946 50 0 CCAAMO C[N@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)CO)C1 ZINC000330477792 202873112 /nfs/dbraw/zinc/87/31/12/202873112.db2.gz MUWXSAJAJRUASV-CYBMUJFWSA-N 1 1 263.341 0.354 50 0 CCAAMO Cn1ccc(C[NH+]2CCC([C@]3(C)NC(=O)NC3=O)CC2)n1 ZINC000331930426 204305993 /nfs/dbraw/zinc/30/59/93/204305993.db2.gz NQNVPCOGBFECPN-AWEZNQCLSA-N 1 1 291.355 0.230 50 0 CCAAMO CC(=O)NC[C@]1(NC(C)=O)CC[N@@H+](Cc2ccccc2)C1 ZINC000515238080 249125351 /nfs/dbraw/zinc/12/53/51/249125351.db2.gz KIWSIWHBXBPCIP-MRXNPFEDSA-N 1 1 289.379 0.903 50 0 CCAAMO CC[NH+]1CCN(C(=O)[C@@H]2CCCCC(=O)N2)CC1 ZINC000193663066 285300060 /nfs/dbraw/zinc/30/00/60/285300060.db2.gz BMXGTZQWDFONEY-NSHDSACASA-N 1 1 253.346 0.209 50 0 CCAAMO C[C@@H]1CCC[C@@H]1OC[C@@H](O)CN1CC[NH+](CCO)CC1 ZINC000022917810 388798569 /nfs/dbraw/zinc/79/85/69/388798569.db2.gz CYSUXZOTEMFZIJ-ILXRZTDVSA-N 1 1 286.416 0.162 50 0 CCAAMO C[NH+]1CCN(C(=O)CNC(=O)c2cccs2)CC1 ZINC000023409037 388804205 /nfs/dbraw/zinc/80/42/05/388804205.db2.gz GNBUXADBLMBDAQ-UHFFFAOYSA-N 1 1 267.354 0.252 50 0 CCAAMO O=C(C[N@@H+]1CCC[C@H]1c1ccsc1)N1CCNC(=O)C1 ZINC000048367330 388891587 /nfs/dbraw/zinc/89/15/87/388891587.db2.gz BVUASCXPWQPLSN-LBPRGKRZSA-N 1 1 293.392 0.843 50 0 CCAAMO O=C(C[N@H+]1CCC[C@H]1c1ccsc1)N1CCNC(=O)C1 ZINC000048367330 388891592 /nfs/dbraw/zinc/89/15/92/388891592.db2.gz BVUASCXPWQPLSN-LBPRGKRZSA-N 1 1 293.392 0.843 50 0 CCAAMO CCN1C[C@@H](C(=O)NCC[N@H+]2CCCC[C@@H]2C)CC1=O ZINC000046860449 388876816 /nfs/dbraw/zinc/87/68/16/388876816.db2.gz KWUAOYYOHFRLKX-STQMWFEESA-N 1 1 281.400 0.845 50 0 CCAAMO C[C@H](C(=O)NCC[N@H+]1CCCC[C@H]1C)n1cncn1 ZINC000046861114 388877078 /nfs/dbraw/zinc/87/70/78/388877078.db2.gz YRGIZULIYCBQPC-VXGBXAGGSA-N 1 1 265.361 0.830 50 0 CCAAMO NC(=O)NC(=O)CC[N@@H+](C[C@H]1CCCO1)C[C@@H]1CCCO1 ZINC000052850233 388927318 /nfs/dbraw/zinc/92/73/18/388927318.db2.gz RDGBHVYQSZMCQF-TXEJJXNPSA-N 1 1 299.371 0.231 50 0 CCAAMO CC1(C)C(C(=O)NC[C@H]2CC[N@H+](C(CO)CO)C2)C1(C)C ZINC000067695408 388947642 /nfs/dbraw/zinc/94/76/42/388947642.db2.gz NVGCJJPIBVKAJB-LLVKDONJSA-N 1 1 298.427 0.460 50 0 CCAAMO CC(=O)Nc1ccc(C[N@@H+]2C[C@H]3NC(=O)CO[C@H]3C2)cc1 ZINC000067897032 388947652 /nfs/dbraw/zinc/94/76/52/388947652.db2.gz YVTFFPUZEBGHEO-KGLIPLIRSA-N 1 1 289.335 0.344 50 0 biogenic,in-vitro CCAAMO CC(=O)Nc1ccc(C[N@H+]2C[C@H]3NC(=O)CO[C@H]3C2)cc1 ZINC000067897032 388947653 /nfs/dbraw/zinc/94/76/53/388947653.db2.gz YVTFFPUZEBGHEO-KGLIPLIRSA-N 1 1 289.335 0.344 50 0 biogenic,in-vitro CCAAMO CCOC(=O)CC[NH+]1CCN(Cc2nc(C)no2)CC1 ZINC000096415691 389060408 /nfs/dbraw/zinc/06/04/08/389060408.db2.gz HHNHYCDREIQCIX-UHFFFAOYSA-N 1 1 282.344 0.449 50 0 CCAAMO CC(C)[N@@H+](C)CCNC(=O)C(=O)Nc1cccnc1 ZINC000096410747 389060518 /nfs/dbraw/zinc/06/05/18/389060518.db2.gz LCPOGFFOCXDFDQ-UHFFFAOYSA-N 1 1 264.329 0.477 50 0 CCAAMO CN(C)c1cccc(C[N@@H+](C)CCN2C(=O)CNC2=O)c1 ZINC000095442004 389042300 /nfs/dbraw/zinc/04/23/00/389042300.db2.gz RRFCDOFIZWYLTC-UHFFFAOYSA-N 1 1 290.367 0.736 50 0 CCAAMO CN(CC[N@H+](C)C1CC1)C(=O)[C@H]1CCCS(=O)(=O)C1 ZINC000328592829 389128503 /nfs/dbraw/zinc/12/85/03/389128503.db2.gz FNXVAKDNFXMQFL-NSHDSACASA-N 1 1 288.413 0.364 50 0 CCAAMO CN(CC[N@@H+](C)C1CC1)C(=O)[C@H]1CCCS(=O)(=O)C1 ZINC000328592829 389128506 /nfs/dbraw/zinc/12/85/06/389128506.db2.gz FNXVAKDNFXMQFL-NSHDSACASA-N 1 1 288.413 0.364 50 0 CCAAMO C[NH+]1CCN(C(=O)N2CC(Oc3cccnc3)C2)CC1 ZINC000238848996 389200652 /nfs/dbraw/zinc/20/06/52/389200652.db2.gz JAACOKIKTRTPBA-UHFFFAOYSA-N 1 1 276.340 0.512 50 0 CCAAMO COC[C@H](O)CN1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000245343872 389204901 /nfs/dbraw/zinc/20/49/01/389204901.db2.gz WFRGQZLJJAJBRL-MQYQWHSLSA-N 1 1 254.374 0.410 50 0 CCAAMO COC[C@H](O)CN1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000245343872 389204906 /nfs/dbraw/zinc/20/49/06/389204906.db2.gz WFRGQZLJJAJBRL-MQYQWHSLSA-N 1 1 254.374 0.410 50 0 CCAAMO CC1CC[NH+](CC(=O)NC(C(N)=O)C(N)=O)CC1 ZINC000331028183 389288298 /nfs/dbraw/zinc/28/82/98/389288298.db2.gz QQBDWHOQMALNRX-UHFFFAOYSA-N 1 1 256.306 0.274 50 0 CCAAMO CCOC(=O)[C@H](CC(=O)N(C)CC[N@@H+](C)C1CC1)C(C)=O ZINC000408518013 389372823 /nfs/dbraw/zinc/37/28/23/389372823.db2.gz RQZFLKGSZHDXAV-CYBMUJFWSA-N 1 1 298.383 0.697 50 0 CCAAMO CN(CC[N@@H+](C)C1CC1)C(=O)COCc1nccn1C ZINC000408517948 389373123 /nfs/dbraw/zinc/37/31/23/389373123.db2.gz QGTKFIZPUNBYTE-UHFFFAOYSA-N 1 1 280.372 0.489 50 0 CCAAMO C1C[C@H]([N@H+]2CCC[C@@H](N3CCOCC3)CC2)CO1 ZINC000408522768 389373576 /nfs/dbraw/zinc/37/35/76/389373576.db2.gz DDMJGNVFLIKMMP-KGLIPLIRSA-N 1 1 254.374 0.962 50 0 CCAAMO C1C[C@@H]([N@H+]2CCC[C@H](N3CCOCC3)CC2)CO1 ZINC000408522769 389373728 /nfs/dbraw/zinc/37/37/28/389373728.db2.gz DDMJGNVFLIKMMP-UONOGXRCSA-N 1 1 254.374 0.962 50 0 CCAAMO C[N@H+]1CCN(C(=O)[C@@H]2CCCCC(=O)N2)CC1(C)C ZINC000408524114 389374343 /nfs/dbraw/zinc/37/43/43/389374343.db2.gz XYBDIRSIENOFLO-NSHDSACASA-N 1 1 267.373 0.598 50 0 CCAAMO CC[N@H+]1CCC[C@H](CN(C)C(=O)Cn2ccnn2)C1 ZINC000426527700 389672166 /nfs/dbraw/zinc/67/21/66/389672166.db2.gz GUJDODBJZPWNML-GFCCVEGCSA-N 1 1 265.361 0.468 50 0 CCAAMO COCC[N@H+]1CCC[C@H](NC(=O)c2ccn(C)c(=O)c2)C1 ZINC000398982813 389787732 /nfs/dbraw/zinc/78/77/32/389787732.db2.gz BZAYTLKWRZNUEH-ZDUSSCGKSA-N 1 1 293.367 0.226 50 0 CCAAMO Cc1nc(N)cc(N2CCC(N3CCOC3=O)CC2)[nH+]1 ZINC000091725332 135073180 /nfs/dbraw/zinc/07/31/80/135073180.db2.gz NUADPHHMMFLXAD-UHFFFAOYSA-N 1 1 277.328 0.788 50 0 CCAAMO Cc1cnn(CC[N@H+]2CCC[C@@H](n3cc(CO)nn3)C2)c1 ZINC000549832559 286101005 /nfs/dbraw/zinc/10/10/05/286101005.db2.gz JCYRYAQRBJVQKY-CQSZACIVSA-N 1 1 290.371 0.612 50 0 CCAAMO CC[C@@H](O)C[NH+]1CCN(C(=O)[C@@H](C)SC)CC1 ZINC000070006448 286941641 /nfs/dbraw/zinc/94/16/41/286941641.db2.gz MSWQLMSKLCKFAP-GHMZBOCLSA-N 1 1 260.403 0.653 50 0 CCAAMO CC[C@H](C)[C@H](NC(=O)N1CC[NH+](C)CC1)C(=O)OC ZINC000006168481 170180249 /nfs/dbraw/zinc/18/02/49/170180249.db2.gz GAFHIJNMCBKCME-QWRGUYRKSA-N 1 1 271.361 0.531 50 0 CCAAMO CCc1ccc(NC(=O)C(=O)NN2CC[NH+](C)CC2)cc1 ZINC000009993409 170392882 /nfs/dbraw/zinc/39/28/82/170392882.db2.gz LASVIMUQHKVESO-UHFFFAOYSA-N 1 1 290.367 0.466 50 0 CCAAMO C[C@@H](CNC(=O)CCn1cncn1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000047494790 411648744 /nfs/dbraw/zinc/64/87/44/411648744.db2.gz ZJUJSSNDXWHVQN-YNEHKIRRSA-N 1 1 295.387 0.282 50 0 CCAAMO Cc1ccc(CC(=O)N2CC[NH+](CCO)CC2)cc1C ZINC000048150174 411652226 /nfs/dbraw/zinc/65/22/26/411652226.db2.gz GOEXWJBGQWWBCH-UHFFFAOYSA-N 1 1 276.380 0.982 50 0 CCAAMO C[N@H+](CC(=O)N[C@@H]1CCCCNC1=O)Cc1ccccc1 ZINC000048009244 411652384 /nfs/dbraw/zinc/65/23/84/411652384.db2.gz PVPFDRBFWIDVLG-CQSZACIVSA-N 1 1 289.379 0.903 50 0 CCAAMO C[N@@H+](CC(=O)N[C@@H]1CCCCNC1=O)Cc1ccccc1 ZINC000048009244 411652388 /nfs/dbraw/zinc/65/23/88/411652388.db2.gz PVPFDRBFWIDVLG-CQSZACIVSA-N 1 1 289.379 0.903 50 0 CCAAMO CC[C@H]1CCCC[N@H+]1CC(=O)N1CCC(C(N)=O)CC1 ZINC000048418964 411658854 /nfs/dbraw/zinc/65/88/54/411658854.db2.gz HUAPLHCFCXZACY-ZDUSSCGKSA-N 1 1 281.400 0.975 50 0 CCAAMO NC(=O)C[N@@H+]1CCCN(c2ncnc3sccc32)CC1 ZINC000049321098 411673174 /nfs/dbraw/zinc/67/31/74/411673174.db2.gz YFWHEBZSKHBFSP-UHFFFAOYSA-N 1 1 291.380 0.689 50 0 CCAAMO NC(=O)C[N@H+]1CCCN(c2ncnc3sccc32)CC1 ZINC000049321098 411673177 /nfs/dbraw/zinc/67/31/77/411673177.db2.gz YFWHEBZSKHBFSP-UHFFFAOYSA-N 1 1 291.380 0.689 50 0 CCAAMO Nc1nc(N2CCC(CO)CC2)cc([C@@H]2CCOC2)[nH+]1 ZINC000426428410 411819459 /nfs/dbraw/zinc/81/94/59/411819459.db2.gz VHDXGTKXVDHJFE-LLVKDONJSA-N 1 1 278.356 0.771 50 0 CCAAMO CNc1nc(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2OC)cs1 ZINC000584896371 411834861 /nfs/dbraw/zinc/83/48/61/411834861.db2.gz BMUNYLOCTXQMIU-ONGXEEELSA-N 1 1 298.412 1.022 50 0 CCAAMO OCC[C@@H]1C[N@@H+](CCO)CCN1Cc1ccc(F)cc1 ZINC000020538980 171241639 /nfs/dbraw/zinc/24/16/39/171241639.db2.gz WSMBXLXLBSGIPB-OAHLLOKOSA-N 1 1 282.359 0.687 50 0 CCAAMO CCC(C)(C)OC[C@@H](O)C[NH+]1CCN(CCO)CC1 ZINC000020819682 171273546 /nfs/dbraw/zinc/27/35/46/171273546.db2.gz ASMNSGPPNDPFAZ-ZDUSSCGKSA-N 1 1 274.405 0.162 50 0 CCAAMO CCC(C)(C)OC[C@@H](O)CN1CC[NH+](CCO)CC1 ZINC000020819682 171273547 /nfs/dbraw/zinc/27/35/47/171273547.db2.gz ASMNSGPPNDPFAZ-ZDUSSCGKSA-N 1 1 274.405 0.162 50 0 CCAAMO C[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)CC1 ZINC000021351455 171303419 /nfs/dbraw/zinc/30/34/19/171303419.db2.gz MGPUDQDRLZIOIV-GFCCVEGCSA-N 1 1 279.384 0.552 50 0 CCAAMO CN1CC[NH+](C[C@H](O)COc2ccc(F)cc2)CC1 ZINC000022467737 171388986 /nfs/dbraw/zinc/38/89/86/171388986.db2.gz JIKWHLHWBFHJBK-ZDUSSCGKSA-N 1 1 268.332 0.813 50 0 CCAAMO Cc1ccc(C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2O)cc1 ZINC000037487518 173230356 /nfs/dbraw/zinc/23/03/56/173230356.db2.gz UILSQYPDTMFHGA-NEPJUHHUSA-N 1 1 255.339 0.243 50 0 CCAAMO CN(C)[C@H]1C[N@H+](CCOCc2ccccc2)C[C@@H]1O ZINC000660588507 414403799 /nfs/dbraw/zinc/40/37/99/414403799.db2.gz ADJRBFLBOHUJMO-GJZGRUSLSA-N 1 1 264.369 0.810 50 0 CCAAMO CN(C)[C@H]1C[N@@H+](CCOCc2ccccc2)C[C@@H]1O ZINC000660588507 414403806 /nfs/dbraw/zinc/40/38/06/414403806.db2.gz ADJRBFLBOHUJMO-GJZGRUSLSA-N 1 1 264.369 0.810 50 0 CCAAMO Nc1nc(Cl)cc(NCCC[NH+]2CCOCC2)n1 ZINC000040497755 174295452 /nfs/dbraw/zinc/29/54/52/174295452.db2.gz DLUHZBONNOSEPH-UHFFFAOYSA-N 1 1 271.752 0.846 50 0 CCAAMO CCOC[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2C[C@@H]2C)CC1 ZINC000071881979 176288478 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ZINC000044975091 348331077 /nfs/dbraw/zinc/33/10/77/348331077.db2.gz TWRQJRMAFTWASC-AWEZNQCLSA-N 1 1 290.367 0.655 50 0 CCAAMO COc1c(C[NH2+]CC(=O)NCc2ccco2)c(C)nn1C ZINC000058442160 348627723 /nfs/dbraw/zinc/62/77/23/348627723.db2.gz NWWAUGRZWDGYDJ-UHFFFAOYSA-N 1 1 292.339 0.736 50 0 CCAAMO CC[N@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)C1CCCC1 ZINC000059038313 348637290 /nfs/dbraw/zinc/63/72/90/348637290.db2.gz SKJVRISNMIBDHX-LLVKDONJSA-N 1 1 288.413 0.554 50 0 CCAAMO CC[N@@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)C1CCCC1 ZINC000059038313 348637295 /nfs/dbraw/zinc/63/72/95/348637295.db2.gz SKJVRISNMIBDHX-LLVKDONJSA-N 1 1 288.413 0.554 50 0 CCAAMO CC[N@@H+](C)CCNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000065414398 348714274 /nfs/dbraw/zinc/71/42/74/348714274.db2.gz QWOCVRHTOZMZGX-LBPRGKRZSA-N 1 1 293.367 0.696 50 0 CCAAMO Cc1cc(C)n(CCCC(=O)N[C@@H]2C[C@@H](CO)[N@@H+](C)C2)n1 ZINC000065426558 348715115 /nfs/dbraw/zinc/71/51/15/348715115.db2.gz XJVRACFCBNXKFJ-KGLIPLIRSA-N 1 1 294.399 0.461 50 0 CCAAMO 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LTSGIXRJTRXFNV-NWDGAFQWSA-N 1 1 255.362 0.947 50 0 CCAAMO CC[N@@H+](C)C(C)(C)CNC(=O)c1nnc2nc(C)ccn21 ZINC000426383151 389664751 /nfs/dbraw/zinc/66/47/51/389664751.db2.gz SECVNZNDDCLCDB-UHFFFAOYSA-N 1 1 290.371 0.893 50 0 CCAAMO Cc1nc([C@@H](C)NC(=O)C[N@H+](C)CCO)cs1 ZINC000426435446 389667250 /nfs/dbraw/zinc/66/72/50/389667250.db2.gz SJIQGYSURHODRV-MRVPVSSYSA-N 1 1 257.359 0.553 50 0 CCAAMO Cc1nc([C@@H](C)NC(=O)C[N@@H+](C)CCO)cs1 ZINC000426435446 389667253 /nfs/dbraw/zinc/66/72/53/389667253.db2.gz SJIQGYSURHODRV-MRVPVSSYSA-N 1 1 257.359 0.553 50 0 CCAAMO COc1ncc(C(=O)NCC[N@H+]2CCCC[C@H]2CO)cn1 ZINC000426489736 389669412 /nfs/dbraw/zinc/66/94/12/389669412.db2.gz YECKVHSIDQCTQH-LBPRGKRZSA-N 1 1 294.355 0.062 50 0 CCAAMO [NH3+]CC[C@H]1C[N@H+](Cc2cccc(C(=O)[O-])c2)CCO1 ZINC000426545007 389672740 /nfs/dbraw/zinc/67/27/40/389672740.db2.gz ICISXYSYWORZSZ-ZDUSSCGKSA-N 1 1 264.325 0.934 50 0 CCAAMO [NH3+]CC[C@H]1C[N@@H+](Cc2cccc(C(=O)[O-])c2)CCO1 ZINC000426545007 389672742 /nfs/dbraw/zinc/67/27/42/389672742.db2.gz ICISXYSYWORZSZ-ZDUSSCGKSA-N 1 1 264.325 0.934 50 0 CCAAMO Cc1[nH+]ccn1[C@H](C)C(=O)NC1(C(N)=O)CCCC1 ZINC000426642886 389675434 /nfs/dbraw/zinc/67/54/34/389675434.db2.gz LPYHGSWNPZETTL-SECBINFHSA-N 1 1 264.329 0.667 50 0 CCAAMO C[N@H+]1CCCC[C@H]1CC(=O)NCCc1cn[nH]n1 ZINC000426667702 389676354 /nfs/dbraw/zinc/67/63/54/389676354.db2.gz XYDNYWAFRRXBBE-NSHDSACASA-N 1 1 251.334 0.338 50 0 CCAAMO C[N@@H+]1CCCC[C@H]1CC(=O)NCCc1c[nH]nn1 ZINC000426667702 389676356 /nfs/dbraw/zinc/67/63/56/389676356.db2.gz XYDNYWAFRRXBBE-NSHDSACASA-N 1 1 251.334 0.338 50 0 CCAAMO C[N@H+]1CCCC[C@H]1CC(=O)NCCc1c[nH]nn1 ZINC000426667702 389676357 /nfs/dbraw/zinc/67/63/57/389676357.db2.gz XYDNYWAFRRXBBE-NSHDSACASA-N 1 1 251.334 0.338 50 0 CCAAMO C[N@@H+]1CCCC[C@H]1CC(=O)NCCc1cnn[nH]1 ZINC000426667702 389676359 /nfs/dbraw/zinc/67/63/59/389676359.db2.gz XYDNYWAFRRXBBE-NSHDSACASA-N 1 1 251.334 0.338 50 0 CCAAMO C[N@H+]1CCCC[C@H]1CC(=O)NCCc1cnn[nH]1 ZINC000426667702 389676361 /nfs/dbraw/zinc/67/63/61/389676361.db2.gz XYDNYWAFRRXBBE-NSHDSACASA-N 1 1 251.334 0.338 50 0 CCAAMO CC1(C)C[C@H](O)CCN(C(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000585132212 390358486 /nfs/dbraw/zinc/35/84/86/390358486.db2.gz QOIYZLJWSYZBGQ-MCIONIFRSA-N 1 1 296.411 0.859 50 0 CCAAMO O=C(NC[C@H](O)c1ccc(Cl)cc1)[C@@H]1COCC[NH2+]1 ZINC000262635118 131245133 /nfs/dbraw/zinc/24/51/33/131245133.db2.gz OACFSOHMEVXXCR-RYUDHWBXSA-N 1 1 284.743 0.478 50 0 CCAAMO CC1(C)CC(NC(=O)c2ncn[nH]2)CC(C)(C)[NH2+]1 ZINC000005686076 170128838 /nfs/dbraw/zinc/12/88/38/170128838.db2.gz HBSSOBNVXPLHGW-UHFFFAOYSA-N 1 1 251.334 0.844 50 0 CCAAMO CC1(C)CC(NC(=O)c2nc[nH]n2)CC(C)(C)[NH2+]1 ZINC000005686076 170128840 /nfs/dbraw/zinc/12/88/40/170128840.db2.gz HBSSOBNVXPLHGW-UHFFFAOYSA-N 1 1 251.334 0.844 50 0 CCAAMO C[C@@H](CNC(=O)Cn1cccn1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000048264849 411656681 /nfs/dbraw/zinc/65/66/81/411656681.db2.gz PHHCVSHZNKVPAV-RWMBFGLXSA-N 1 1 280.372 0.497 50 0 CCAAMO C[C@@H](CNC(=O)Cn1cccn1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000048264849 411656684 /nfs/dbraw/zinc/65/66/84/411656684.db2.gz PHHCVSHZNKVPAV-RWMBFGLXSA-N 1 1 280.372 0.497 50 0 CCAAMO CC[C@](C)(CNC(=O)Cn1cccn1)[NH+]1CCOCC1 ZINC000048355673 411657841 /nfs/dbraw/zinc/65/78/41/411657841.db2.gz AZRZVYKLNPEWOZ-CQSZACIVSA-N 1 1 280.372 0.500 50 0 CCAAMO COc1ccc(-c2cc(NCCO)nc(N)[nH+]2)cc1F ZINC000426547500 411818202 /nfs/dbraw/zinc/81/82/02/411818202.db2.gz AYPVVPORMVQLRK-UHFFFAOYSA-N 1 1 278.287 0.700 50 0 CCAAMO Nc1nc(NCCc2ccncc2)cc([C@@H]2CCOC2)[nH+]1 ZINC000426698528 411818532 /nfs/dbraw/zinc/81/85/32/411818532.db2.gz ZGNYCLKMAOSIBY-GFCCVEGCSA-N 1 1 285.351 1.034 50 0 CCAAMO CN1CCN(CCOc2ccccc2CO)CC1 ZINC000020639461 171269065 /nfs/dbraw/zinc/26/90/65/171269065.db2.gz QIVXJCGMKJGDAL-UHFFFAOYSA-N 1 1 250.342 0.805 50 0 CCAAMO CN1CC[NH+](CCOc2ccccc2CO)CC1 ZINC000020639461 171269066 /nfs/dbraw/zinc/26/90/66/171269066.db2.gz QIVXJCGMKJGDAL-UHFFFAOYSA-N 1 1 250.342 0.805 50 0 CCAAMO COC[C@H](O)C[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000022016213 171349833 /nfs/dbraw/zinc/34/98/33/171349833.db2.gz OYWQZHQKGYDOOF-LLVKDONJSA-N 1 1 274.361 0.546 50 0 CCAAMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC000022693297 171396285 /nfs/dbraw/zinc/39/62/85/171396285.db2.gz WTJSYMZYXMLVTR-NSHDSACASA-N 1 1 294.355 0.269 50 0 CCAAMO CCCNC(=O)[C@@H](C)NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000035485330 172222504 /nfs/dbraw/zinc/22/25/04/172222504.db2.gz RRURAGJGXDTZRO-RISCZKNCSA-N 1 1 289.379 0.732 50 0 CCAAMO CCN(CC)S(=O)(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000044937617 175281599 /nfs/dbraw/zinc/28/15/99/175281599.db2.gz FLYRKAXMEUXKSY-NWDGAFQWSA-N 1 1 275.418 0.789 50 0 CCAAMO CNC(=O)C[NH+]1CCC(NC(=O)c2ccc(C)o2)CC1 ZINC000046448621 175396654 /nfs/dbraw/zinc/39/66/54/175396654.db2.gz DOYDOQMVQODZJE-UHFFFAOYSA-N 1 1 279.340 0.528 50 0 CCAAMO Cc1ccc(OCC[N@H+](C)C[C@@H](O)CO)c(C)c1 ZINC000055042448 175567936 /nfs/dbraw/zinc/56/79/36/175567936.db2.gz ZHSNBZCCDQRLML-CYBMUJFWSA-N 1 1 253.342 0.967 50 0 CCAAMO CC(C)OC[C@H](O)C[NH+]1CCN(Cc2ccccn2)CC1 ZINC000071281555 176108612 /nfs/dbraw/zinc/10/86/12/176108612.db2.gz ZOVJGKQPACZUMQ-MRXNPFEDSA-N 1 1 293.411 0.985 50 0 CCAAMO CCN(C[C@H]1CC[N@@H+](C)C1)C(=O)C1(C(=O)OC)CC1 ZINC000071712141 176249114 /nfs/dbraw/zinc/24/91/14/176249114.db2.gz ZFKWIQRYLOOFNM-NSHDSACASA-N 1 1 268.357 0.740 50 0 CCAAMO COCc1nnc(C(=O)N(C)C[C@H]2CCCC[N@H+]2C)o1 ZINC000071760105 176261428 /nfs/dbraw/zinc/26/14/28/176261428.db2.gz GBXYNOIWVLHEHN-SNVBAGLBSA-N 1 1 282.344 0.772 50 0 CCAAMO NC(=O)C[N@@H+]1CCCN(c2cnc3ccccc3n2)CC1 ZINC000071817080 176269313 /nfs/dbraw/zinc/26/93/13/176269313.db2.gz RLHFGQNUJXKZDL-UHFFFAOYSA-N 1 1 285.351 0.627 50 0 CCAAMO NC(=O)C[N@H+]1CCCN(c2cnc3ccccc3n2)CC1 ZINC000071817080 176269315 /nfs/dbraw/zinc/26/93/15/176269315.db2.gz RLHFGQNUJXKZDL-UHFFFAOYSA-N 1 1 285.351 0.627 50 0 CCAAMO CC[C@@H](O)C[NH+]1CCN(C(=O)c2ccnc(C)n2)CC1 ZINC000071881142 176287956 /nfs/dbraw/zinc/28/79/56/176287956.db2.gz AYVVNNPVQTTXRK-GFCCVEGCSA-N 1 1 278.356 0.314 50 0 CCAAMO OC[C@@]1(O)CCC[N@@H+](Cc2cccc3nonc32)CC1 ZINC000072167121 176331844 /nfs/dbraw/zinc/33/18/44/176331844.db2.gz CBKCNDQYIWCZGS-CQSZACIVSA-N 1 1 277.324 0.932 50 0 CCAAMO C[C@@H](CC[NH+]1CCOCC1)NC(=O)Cc1cccnc1 ZINC000072287485 176360337 /nfs/dbraw/zinc/36/03/37/176360337.db2.gz CZDPSXVPZARYOE-ZDUSSCGKSA-N 1 1 277.368 0.851 50 0 CCAAMO CC[C@H]1CN(C(=O)c2cc(=O)[nH]c(=O)[nH]2)CC[N@H+]1C(C)C ZINC000077298266 177250239 /nfs/dbraw/zinc/25/02/39/177250239.db2.gz BLLCRAUTMRWAQN-JTQLQIEISA-N 1 1 294.355 0.420 50 0 CCAAMO CCc1[nH+]ccn1CCC(=O)N1CCOC[C@@H](O)C1 ZINC000077472569 177272610 /nfs/dbraw/zinc/27/26/10/177272610.db2.gz YWZLAMPSCRJHMS-NSHDSACASA-N 1 1 267.329 0.055 50 0 CCAAMO COc1cc(N2CC[NH+](C[C@H]3CCCO3)CC2)ncn1 ZINC000178799877 544747549 /nfs/dbraw/zinc/74/75/49/544747549.db2.gz RIITXZJTMLYXJZ-GFCCVEGCSA-N 1 1 278.356 0.786 50 0 CCAAMO C[N@@H+](CC(=O)N[C@@H]1CCOC[C@H]1O)C1CCCC1 ZINC000222698023 544823378 /nfs/dbraw/zinc/82/33/78/544823378.db2.gz WUPGGLHQVNBWHI-VXGBXAGGSA-N 1 1 256.346 0.127 50 0 CCAAMO COC(=O)c1cnc(N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)nc1 ZINC000408028946 274008306 /nfs/dbraw/zinc/00/83/06/274008306.db2.gz VJGYULXRJZTMKO-CMPLNLGQSA-N 1 1 276.340 0.794 50 0 CCAAMO C[C@H](O)C[NH+]1CCN(C(=O)C[C@H]2CCCO2)CC1 ZINC000069901879 290093169 /nfs/dbraw/zinc/09/31/69/290093169.db2.gz KFWBTWDCEDQTSN-NWDGAFQWSA-N 1 1 256.346 0.081 50 0 CCAAMO C[C@H](CCNC(=O)CCc1cn[nH]c1)N1CC[NH+](C)CC1 ZINC000534592221 328318665 /nfs/dbraw/zinc/31/86/65/328318665.db2.gz LXKNNBXDHDYKRC-CYBMUJFWSA-N 1 1 293.415 0.485 50 0 CCAAMO CCn1nc(C)cc1S(=O)(=O)N1CC[NH2+]C[C@@H]1C ZINC000534659093 328341853 /nfs/dbraw/zinc/34/18/53/328341853.db2.gz HRLUTMXDYNBJKX-JTQLQIEISA-N 1 1 272.374 0.194 50 0 CCAAMO Cn1cc[nH+]c1N1CCN(C(=O)[C@@H]2CCCOC2)CC1 ZINC000096436898 534792561 /nfs/dbraw/zinc/79/25/61/534792561.db2.gz OFERWNRFSWISJF-GFCCVEGCSA-N 1 1 278.356 0.495 50 0 CCAAMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(OC)no2)C1 ZINC000096502625 527751625 /nfs/dbraw/zinc/75/16/25/527751625.db2.gz YUCPZBPRUOMYLL-SECBINFHSA-N 1 1 253.302 0.849 50 0 CCAAMO CCCN1CCN(CCc2[nH+]ccn2C)CC1=O ZINC000670451831 545236152 /nfs/dbraw/zinc/23/61/52/545236152.db2.gz JTTXWGPEAWDTCL-UHFFFAOYSA-N 1 1 250.346 0.517 50 0 CCAAMO CC(C)[N@H+]1CC[C@H](CN(C)S(=O)(=O)c2cn[nH]c2)C1 ZINC000670459197 545236439 /nfs/dbraw/zinc/23/64/39/545236439.db2.gz TUZGNIAPQKLFQS-LLVKDONJSA-N 1 1 286.401 0.761 50 0 CCAAMO CC(=O)N1CC[N@H+](C2CSCCSC2)C[C@@H](O)C1 ZINC000670455235 545236466 /nfs/dbraw/zinc/23/64/66/545236466.db2.gz QDFLEYWZFYWZRP-LBPRGKRZSA-N 1 1 290.454 0.360 50 0 CCAAMO OC[C@H]1CCCC[N@H+]1CCCNc1ncnc2nc[nH]c21 ZINC000670469790 545237312 /nfs/dbraw/zinc/23/73/12/545237312.db2.gz LPUWKPQTLLMWHA-LLVKDONJSA-N 1 1 290.371 0.953 50 0 CCAAMO OC[C@H]1CCCC[N@@H+]1CCCNc1ncnc2[nH]cnc21 ZINC000670469790 545237313 /nfs/dbraw/zinc/23/73/13/545237313.db2.gz LPUWKPQTLLMWHA-LLVKDONJSA-N 1 1 290.371 0.953 50 0 CCAAMO OC[C@H]1CCCC[N@H+]1CCCNc1ncnc2[nH]cnc21 ZINC000670469790 545237314 /nfs/dbraw/zinc/23/73/14/545237314.db2.gz LPUWKPQTLLMWHA-LLVKDONJSA-N 1 1 290.371 0.953 50 0 CCAAMO CN(C)C[C@@H]1COCC[N@H+](CCCn2cccn2)C1 ZINC000670470546 545237321 /nfs/dbraw/zinc/23/73/21/545237321.db2.gz RBVJGLAVZOJKRZ-AWEZNQCLSA-N 1 1 266.389 0.783 50 0 CCAAMO CN(C)C[C@@H]1COCC[N@@H+](CCCn2cccn2)C1 ZINC000670470546 545237322 /nfs/dbraw/zinc/23/73/22/545237322.db2.gz RBVJGLAVZOJKRZ-AWEZNQCLSA-N 1 1 266.389 0.783 50 0 CCAAMO COc1cc(NCC[N@H+]2CCC[C@H](CO)C2)nc(N)n1 ZINC000952974482 617207267 /nfs/dbraw/zinc/20/72/67/617207267.db2.gz IUYFATPBCRBZEO-JTQLQIEISA-N 1 1 281.360 0.184 50 0 CCAAMO CN(C)c1ncc(CNCC[N@@H+]2CCC[C@H](CO)C2)cn1 ZINC000952973308 616036186 /nfs/dbraw/zinc/03/61/86/616036186.db2.gz YFLKZOGNAKGNQA-ZDUSSCGKSA-N 1 1 293.415 0.337 50 0 CCAAMO CN(C)c1ncc(CNCC[N@H+]2CCC[C@H](CO)C2)cn1 ZINC000952973308 616036187 /nfs/dbraw/zinc/03/61/87/616036187.db2.gz YFLKZOGNAKGNQA-ZDUSSCGKSA-N 1 1 293.415 0.337 50 0 CCAAMO Cn1ncnc1-c1ccnc(N2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000023544158 623504820 /nfs/dbraw/zinc/50/48/20/623504820.db2.gz NIZRGAQZXIJKKT-LLVKDONJSA-N 1 1 285.355 0.557 50 0 CCAAMO COCCN1C[C@@H](C[N@H+]2CCc3n[nH]cc3C2)CC1=O ZINC000299761007 625661970 /nfs/dbraw/zinc/66/19/70/625661970.db2.gz QGYMFJCPFFDSEZ-LLVKDONJSA-N 1 1 278.356 0.263 50 0 CCAAMO Cc1n[nH]c(C)c1CNC(=O)C[C@@H]1CN(C)CC[N@H+]1C ZINC000299788015 625663324 /nfs/dbraw/zinc/66/33/24/625663324.db2.gz QUKSGTZWZQQSKF-GFCCVEGCSA-N 1 1 279.388 0.279 50 0 CCAAMO Cc1n[nH]c(C)c1CNC(=O)C[C@@H]1C[N@@H+](C)CCN1C ZINC000299788015 625663326 /nfs/dbraw/zinc/66/33/26/625663326.db2.gz QUKSGTZWZQQSKF-GFCCVEGCSA-N 1 1 279.388 0.279 50 0 CCAAMO Cc1n[nH]c(C)c1CNC(=O)C[C@@H]1C[N@H+](C)CCN1C ZINC000299788015 625663332 /nfs/dbraw/zinc/66/33/32/625663332.db2.gz QUKSGTZWZQQSKF-GFCCVEGCSA-N 1 1 279.388 0.279 50 0 CCAAMO [NH3+][C@@H](c1nccs1)C1(O)C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000958528708 631405545 /nfs/dbraw/zinc/40/55/45/631405545.db2.gz 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821683048 /nfs/dbraw/zinc/68/30/48/821683048.db2.gz STYGVCKVQQEVJU-UHFFFAOYSA-N 1 1 274.328 0.611 50 0 CCAAMO COC(C)(C)C(=O)NCCC[N@H+]1CCCC[C@@H]1CO ZINC000828710765 821810860 /nfs/dbraw/zinc/81/08/60/821810860.db2.gz CJUGQQIIRIGXOS-GFCCVEGCSA-N 1 1 272.389 0.765 50 0 CCAAMO O=C(NCCC[N@@H+]1CCCC[C@@H]1CO)[C@H]1CC[C@@H](O)CC1 ZINC000828710833 821811570 /nfs/dbraw/zinc/81/15/70/821811570.db2.gz MASPJPYDPUWXHH-KFWWJZLASA-N 1 1 298.427 0.891 50 0 CCAAMO CC[N@@H+]1[C@H](C)CN(C(=O)[C@@]2(C)CCC(=O)NC2)C[C@@H]1C ZINC000585127115 839615112 /nfs/dbraw/zinc/61/51/12/839615112.db2.gz QHLYIOVGKKVREW-ZOWXZIJZSA-N 1 1 281.400 0.844 50 0 CCAAMO NC(=O)c1ccnc(NCC[N@H+]2CCC[C@@H](CO)C2)c1 ZINC000952871966 841578219 /nfs/dbraw/zinc/57/82/19/841578219.db2.gz FEXRMYXPKTXHLF-LLVKDONJSA-N 1 1 278.356 0.297 50 0 CCAAMO CN(CC[N@@H+](C)C1CCCC1)C(=O)c1ncc[nH]c1=O ZINC001506397095 894841568 /nfs/dbraw/zinc/84/15/68/894841568.db2.gz PIHXYMQBQWWMOD-UHFFFAOYSA-N 1 1 278.356 0.716 50 0 CCAAMO O[C@@H](Cn1cnnc1)C[N@H+]1CCc2ccccc2C1 ZINC000096484676 230381076 /nfs/dbraw/zinc/38/10/76/230381076.db2.gz NQEHBTVJKZILNJ-CQSZACIVSA-N 1 1 258.325 0.697 50 0 CCAAMO COCc1noc(C[NH2+][C@@H]2CCCC[C@H]2CO)n1 ZINC000124848822 187158103 /nfs/dbraw/zinc/15/81/03/187158103.db2.gz SRENMDNWPYTWEZ-VHSXEESVSA-N 1 1 255.318 0.857 50 0 CCAAMO CN(CC1CCC1)C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000095395177 349607295 /nfs/dbraw/zinc/60/72/95/349607295.db2.gz DGQSTMXCCFMRQM-ZDUSSCGKSA-N 1 1 296.415 0.768 50 0 CCAAMO Cc1ccccc1[C@H](C(=O)NC(CO)CO)[NH+](C)C ZINC000095377131 349605513 /nfs/dbraw/zinc/60/55/13/349605513.db2.gz QIEKCOVSRJNSOK-CYBMUJFWSA-N 1 1 266.341 0.067 50 0 CCAAMO CCOC(C[N@H+]1C[C@H]2OCCN(C)[C@@H]2C1)OCC ZINC000097161672 349631248 /nfs/dbraw/zinc/63/12/48/349631248.db2.gz ASAGKKBKOXBURC-VXGBXAGGSA-N 1 1 258.362 0.400 50 0 CCAAMO CC[N@H+]1CCC[C@H](Nc2ncnc3c2cnn3CCO)C1 ZINC000097200372 349633532 /nfs/dbraw/zinc/63/35/32/349633532.db2.gz ZPMNPGRIRKAMHS-NSHDSACASA-N 1 1 290.371 0.715 50 0 CCAAMO CC[NH+]1CCN([C@H]2CC(=O)N(c3ccccc3)C2=O)CC1 ZINC000100060710 349655200 /nfs/dbraw/zinc/65/52/00/349655200.db2.gz VJYPVBPDHWHTOV-AWEZNQCLSA-N 1 1 287.363 0.956 50 0 CCAAMO C[NH+]1CCN([C@H]2CC(=O)N(c3ccccc3F)C2=O)CC1 ZINC000100571157 349658718 /nfs/dbraw/zinc/65/87/18/349658718.db2.gz CPCPOWFFVADGEB-ZDUSSCGKSA-N 1 1 291.326 0.705 50 0 CCAAMO O=C(C[C@@H]1[NH2+][C@H]2CCCC[C@@H]2NC1=O)NC1CC1 ZINC000102133119 349676002 /nfs/dbraw/zinc/67/60/02/349676002.db2.gz NJUAPHDAYSTOMW-DCAQKATOSA-N 1 1 251.330 0.054 50 0 CCAAMO CN1CCN(C(=O)C[N@H+]2CC[C@@]3(O)CCCC[C@H]3C2)CC1 ZINC000250362846 137001068 /nfs/dbraw/zinc/00/10/68/137001068.db2.gz DKTHRJHOSJVNSZ-HOCLYGCPSA-N 1 1 295.427 0.387 50 0 CCAAMO CC[N@@H+](C)CCNS(=O)(=O)CC[C@@H](C)CCOC ZINC000253429243 352535619 /nfs/dbraw/zinc/53/56/19/352535619.db2.gz MKUHYOPOQUXXHT-LBPRGKRZSA-N 1 1 280.434 0.920 50 0 CCAAMO CC(C)[NH+]1CCN(c2nc3c(ncnc3N)[nH]2)CC1 ZINC000000227258 347942390 /nfs/dbraw/zinc/94/23/90/347942390.db2.gz FCSJSETWIGBAEJ-UHFFFAOYSA-N 1 1 261.333 0.466 50 0 biogenic CCAAMO C[C@H](CCn1cccn1)NC(=O)[C@@H]1C[N@@H+](C)CC[C@H]1O ZINC000019841970 348071655 /nfs/dbraw/zinc/07/16/55/348071655.db2.gz NNAWZUUCYWWRDY-JHJVBQTASA-N 1 1 280.372 0.091 50 0 CCAAMO O=C(C[NH2+][C@@H]1CCS(=O)(=O)C1)Nc1ccccc1 ZINC000020038628 348075893 /nfs/dbraw/zinc/07/58/93/348075893.db2.gz NVSOOAHGROOGDP-LLVKDONJSA-N 1 1 268.338 0.402 50 0 CCAAMO CN1CCC[C@@](O)(C[N@H+](C)Cc2nccs2)C1=O ZINC000014957683 348037832 /nfs/dbraw/zinc/03/78/32/348037832.db2.gz AZHKATKTYITDAG-GFCCVEGCSA-N 1 1 269.370 0.558 50 0 CCAAMO CN1CCC[C@@](O)(C[N@@H+](C)Cc2nccs2)C1=O ZINC000014957683 348037833 /nfs/dbraw/zinc/03/78/33/348037833.db2.gz AZHKATKTYITDAG-GFCCVEGCSA-N 1 1 269.370 0.558 50 0 CCAAMO CCCCCCNC(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC000032809212 348139728 /nfs/dbraw/zinc/13/97/28/348139728.db2.gz QGAYTNXBEXEERC-UHFFFAOYSA-N 1 1 284.404 0.816 50 0 CCAAMO O=S1(=O)C[C@@H](O)[C@H]([NH2+]Cc2cccc(F)c2)C1 ZINC000037692750 348198530 /nfs/dbraw/zinc/19/85/30/348198530.db2.gz VXFKOMXQJQZCMW-GHMZBOCLSA-N 1 1 259.302 0.073 50 0 CCAAMO Cc1noc(C2CC[NH+](CC(=O)N3CCOCC3)CC2)n1 ZINC000053641557 348532377 /nfs/dbraw/zinc/53/23/77/348532377.db2.gz REPJTAHFJJHORJ-UHFFFAOYSA-N 1 1 294.355 0.416 50 0 CCAAMO CCn1nc(C)c(C[N@@H+](CC)C[C@H](O)CO)c1C ZINC000055183254 348571989 /nfs/dbraw/zinc/57/19/89/348571989.db2.gz KVKBUIMJLHLAGT-LBPRGKRZSA-N 1 1 255.362 0.695 50 0 CCAAMO C[C@@H](O)C[NH+]1CCN(C(=O)CCc2ccncc2)CC1 ZINC000057574381 348612443 /nfs/dbraw/zinc/61/24/43/348612443.db2.gz WTCZLAOSJWYLFK-CYBMUJFWSA-N 1 1 277.368 0.539 50 0 CCAAMO CN(Cc1ccccc1)C[C@@H](O)C[N@H+]1CCC[C@H](O)C1 ZINC000058159296 348621956 /nfs/dbraw/zinc/62/19/56/348621956.db2.gz IRFGNEMDWWWVJJ-JKSUJKDBSA-N 1 1 278.396 0.936 50 0 CCAAMO C[N@@H+](Cc1ccccc1)C[C@@H](O)CN1CCC[C@H](O)C1 ZINC000058159296 348621959 /nfs/dbraw/zinc/62/19/59/348621959.db2.gz IRFGNEMDWWWVJJ-JKSUJKDBSA-N 1 1 278.396 0.936 50 0 CCAAMO C[N@H+](Cc1ccccc1)C[C@@H](O)CN1CCC[C@H](O)C1 ZINC000058159296 348621962 /nfs/dbraw/zinc/62/19/62/348621962.db2.gz IRFGNEMDWWWVJJ-JKSUJKDBSA-N 1 1 278.396 0.936 50 0 CCAAMO Cc1nnc(NC(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)s1 ZINC000058195734 348622320 /nfs/dbraw/zinc/62/23/20/348622320.db2.gz DIGSFBBZWDVKBF-NXEZZACHSA-N 1 1 297.384 0.831 50 0 CCAAMO CCOC(=O)CCNc1nc(N2CCC[C@@H](O)C2)cc[nH+]1 ZINC000065399191 348713375 /nfs/dbraw/zinc/71/33/75/348713375.db2.gz AFGCZAUTCIIXAH-LLVKDONJSA-N 1 1 294.355 0.803 50 0 CCAAMO CCNc1cc[nH+]c(N(C)C[C@@H]2COCCO2)n1 ZINC000065496331 348719307 /nfs/dbraw/zinc/71/93/07/348719307.db2.gz DTOFAOSFEUJSPD-SNVBAGLBSA-N 1 1 252.318 0.760 50 0 CCAAMO CCOC(=O)C1=C(C[N@@H+](CC2CC2)C2CC2)NC(=O)NC1 ZINC000065541549 348720938 /nfs/dbraw/zinc/72/09/38/348720938.db2.gz FVISMNVEBHFKOM-UHFFFAOYSA-N 1 1 293.367 0.991 50 0 CCAAMO O=C1NCCCC[C@@H]1NC[C@]1(O)CCC[N@H+]2CCCC[C@@H]21 ZINC000063856683 348694350 /nfs/dbraw/zinc/69/43/50/348694350.db2.gz CCZYFSQNMAOOQP-SQWLQELKSA-N 1 1 295.427 0.624 50 0 CCAAMO CNc1nc(N2CCC(O)(CO)CC2)[nH+]c2c1CCC2 ZINC000067713749 348782665 /nfs/dbraw/zinc/78/26/65/348782665.db2.gz MDGGEWXJKRCDRJ-UHFFFAOYSA-N 1 1 278.356 0.331 50 0 CCAAMO NC(=O)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2F)C1 ZINC000067739998 348783121 /nfs/dbraw/zinc/78/31/21/348783121.db2.gz ZTGPEHVOVMTDCX-SNVBAGLBSA-N 1 1 279.315 0.249 50 0 CCAAMO CCOC(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000067804097 348784834 /nfs/dbraw/zinc/78/48/34/348784834.db2.gz RADGXJAUUGGHCK-GFCCVEGCSA-N 1 1 268.357 0.884 50 0 CCAAMO CCOC(=O)C[N@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000067804097 348784838 /nfs/dbraw/zinc/78/48/38/348784838.db2.gz RADGXJAUUGGHCK-GFCCVEGCSA-N 1 1 268.357 0.884 50 0 CCAAMO CCN(CC)S(=O)(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000069418994 348844907 /nfs/dbraw/zinc/84/49/07/348844907.db2.gz JNVLCGFMXIZIFK-LBPRGKRZSA-N 1 1 277.434 0.895 50 0 CCAAMO c1cnn(CC[N@@H+]2CCO[C@H](Cn3cccn3)C2)c1 ZINC000069415292 348844939 /nfs/dbraw/zinc/84/49/39/348844939.db2.gz VYCDJDUOWKUXHR-ZDUSSCGKSA-N 1 1 261.329 0.481 50 0 CCAAMO c1cnn(CC[N@H+]2CCO[C@H](Cn3cccn3)C2)c1 ZINC000069415292 348844943 /nfs/dbraw/zinc/84/49/43/348844943.db2.gz VYCDJDUOWKUXHR-ZDUSSCGKSA-N 1 1 261.329 0.481 50 0 CCAAMO Cn1ccnc1CN1CC[NH+](CCN2CCCC2=O)CC1 ZINC000069452859 348845641 /nfs/dbraw/zinc/84/56/41/348845641.db2.gz LJWHRCAPIMQIII-UHFFFAOYSA-N 1 1 291.399 0.160 50 0 CCAAMO O=C([O-])CC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000069592398 348854824 /nfs/dbraw/zinc/85/48/24/348854824.db2.gz FWKQVPXQHAVUFN-GFCCVEGCSA-N 1 1 256.346 0.694 50 0 CCAAMO CC(C)c1nnc2n1CCN(C(=O)C[N@@H+](C)C1CC1)C2 ZINC000069772149 348860606 /nfs/dbraw/zinc/86/06/06/348860606.db2.gz HCAIJLJWGHWUNX-UHFFFAOYSA-N 1 1 277.372 0.838 50 0 CCAAMO C[C@@H](O)C[NH+]1CCN(C(=O)CCc2nccs2)CC1 ZINC000069844248 348863392 /nfs/dbraw/zinc/86/33/92/348863392.db2.gz JDCWHBYMXJEVKA-LLVKDONJSA-N 1 1 283.397 0.601 50 0 CCAAMO CC[C@@H]1CN(CCN2CCCC2=O)CC[N@H+]1CCOC ZINC000069840639 348863514 /nfs/dbraw/zinc/86/35/14/348863514.db2.gz RWAASFFVVORXTC-CQSZACIVSA-N 1 1 283.416 0.651 50 0 CCAAMO COCCc1noc(CN2CC[N@@H+](CCOC)[C@H](C)C2)n1 ZINC000069973129 348868317 /nfs/dbraw/zinc/86/83/17/348868317.db2.gz ALESUSYQEDNOMD-GFCCVEGCSA-N 1 1 298.387 0.411 50 0 CCAAMO COCCc1noc(CN2CC[N@H+](CCOC)[C@H](C)C2)n1 ZINC000069973129 348868320 /nfs/dbraw/zinc/86/83/20/348868320.db2.gz ALESUSYQEDNOMD-GFCCVEGCSA-N 1 1 298.387 0.411 50 0 CCAAMO COCC[N@@H+](CCNC(=O)N1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000071796311 348911776 /nfs/dbraw/zinc/91/17/76/348911776.db2.gz WOBYOLQLHIFABK-BETUJISGSA-N 1 1 299.415 0.916 50 0 CCAAMO Cc1nnc([C@@H]2CN(C(=O)C[N@H+](C)C3CC3)CCO2)[nH]1 ZINC000072300375 348920274 /nfs/dbraw/zinc/92/02/74/348920274.db2.gz ATXINCWCEIJOAO-NSHDSACASA-N 1 1 279.344 0.107 50 0 CCAAMO Cc1nc([C@@H]2CN(C(=O)C[N@@H+](C)C3CC3)CCO2)n[nH]1 ZINC000072300375 348920278 /nfs/dbraw/zinc/92/02/78/348920278.db2.gz ATXINCWCEIJOAO-NSHDSACASA-N 1 1 279.344 0.107 50 0 CCAAMO Cc1nc([C@@H]2CN(C(=O)C[N@H+](C)C3CC3)CCO2)n[nH]1 ZINC000072300375 348920281 /nfs/dbraw/zinc/92/02/81/348920281.db2.gz ATXINCWCEIJOAO-NSHDSACASA-N 1 1 279.344 0.107 50 0 CCAAMO O=C(CCc1ccsc1)N1CC[NH+](CCO)CC1 ZINC000075568269 349037789 /nfs/dbraw/zinc/03/77/89/349037789.db2.gz IYCVKKZUVMQIFU-UHFFFAOYSA-N 1 1 268.382 0.817 50 0 CCAAMO Cc1cccc(S(=O)(=O)N2CC[NH2+][C@@H](C)C2)c1 ZINC000084594389 349323109 /nfs/dbraw/zinc/32/31/09/349323109.db2.gz VJHKFFXVDADZCD-NSHDSACASA-N 1 1 254.355 0.977 50 0 CCAAMO Cc1nc(C)c(CC(=O)N2CC[N@@H+](C)C[C@@H]2C)c(=O)[nH]1 ZINC000089499549 349391936 /nfs/dbraw/zinc/39/19/36/349391936.db2.gz RGNLSHZHBHIESN-VIFPVBQESA-N 1 1 278.356 0.092 50 0 CCAAMO Cc1nc(C)c(CC(=O)N2CC[N@H+](C)C[C@@H]2C)c(=O)[nH]1 ZINC000089499549 349391939 /nfs/dbraw/zinc/39/19/39/349391939.db2.gz RGNLSHZHBHIESN-VIFPVBQESA-N 1 1 278.356 0.092 50 0 CCAAMO O=C(CN1CCSC1=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000089598182 349395779 /nfs/dbraw/zinc/39/57/79/349395779.db2.gz IGJJRSPVFQPSPH-JTQLQIEISA-N 1 1 283.397 0.756 50 0 CCAAMO CC(C)n1cncc1CN1CC[NH+](CCO)CC1 ZINC000090237118 349429685 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Cc1[nH+]ccn1[C@@H](C)C(=O)NCc1csc(N)n1 ZINC000584896424 411834211 /nfs/dbraw/zinc/83/42/11/411834211.db2.gz VLVZBSHRRZJRNP-ZETCQYMHSA-N 1 1 265.342 1.108 50 0 CCAAMO CN(C[C@@H]1CCCC[N@H+]1C)C(=O)c1ccc[n+]([O-])c1 ZINC000020997534 171284275 /nfs/dbraw/zinc/28/42/75/171284275.db2.gz HLLRMMQIGFBCIN-ZDUSSCGKSA-N 1 1 263.341 0.876 50 0 CCAAMO CC(=O)N[C@H]1C2CN3CC1(Cc1ccccc1)C[N@@H+](C2)CC3 ZINC000022241875 171382072 /nfs/dbraw/zinc/38/20/72/171382072.db2.gz PWVNCBNUNMABHD-ADKAHSJRSA-N 1 1 299.418 0.981 50 0 CCAAMO O=C(C[N@@H+](C[C@@H]1CCOC1)C1CC1)NC(=O)NC1CC1 ZINC000040528300 174315717 /nfs/dbraw/zinc/31/57/17/174315717.db2.gz NCGCNHMMIZYBIF-JTQLQIEISA-N 1 1 281.356 0.476 50 0 CCAAMO C[C@@H](O)CN1CC[NH+](C[C@H](O)COCc2ccco2)CC1 ZINC000071847292 176275811 /nfs/dbraw/zinc/27/58/11/176275811.db2.gz HKJSFHJOHDDRBS-KGLIPLIRSA-N 1 1 298.383 0.156 50 0 CCAAMO CCc1nc(CC(=O)N2CC[NH+](C[C@H](C)O)CC2)cs1 ZINC000071871358 176283764 /nfs/dbraw/zinc/28/37/64/176283764.db2.gz OIHGZWUNKDUROQ-NSHDSACASA-N 1 1 297.424 0.773 50 0 CCAAMO CCNc1cc2c(nn1)CCN(C(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC000071871672 176283843 /nfs/dbraw/zinc/28/38/43/176283843.db2.gz VFXJZUNJOLPVIG-ZDUSSCGKSA-N 1 1 289.383 0.887 50 0 CCAAMO C[C@@H](O)C[NH+]1CCN(C(=O)CC[C@H]2CCCO2)CC1 ZINC000071871223 176283912 /nfs/dbraw/zinc/28/39/12/176283912.db2.gz NNKRZHRAHIVTLV-CHWSQXEVSA-N 1 1 270.373 0.471 50 0 CCAAMO Cc1cnn(C[C@@H]2CCC[N@H+]2CCN2C(=O)CNC2=O)c1 ZINC000071875884 176285601 /nfs/dbraw/zinc/28/56/01/176285601.db2.gz WURWBORDYMNHJW-LBPRGKRZSA-N 1 1 291.355 0.208 50 0 CCAAMO O=C(C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1)NC1CCOCC1 ZINC000072235920 176345723 /nfs/dbraw/zinc/34/57/23/176345723.db2.gz DNPDGXITQFXANH-LBPRGKRZSA-N 1 1 292.383 0.884 50 0 CCAAMO O=C(C[N@H+]1CCC[C@H](c2cc[nH]n2)C1)NC1CCOCC1 ZINC000072235920 176345724 /nfs/dbraw/zinc/34/57/24/176345724.db2.gz DNPDGXITQFXANH-LBPRGKRZSA-N 1 1 292.383 0.884 50 0 CCAAMO CC(C)n1cc(C(=O)NC[C@H]2COCC[N@@H+](C)C2)cn1 ZINC000077337306 177254123 /nfs/dbraw/zinc/25/41/23/177254123.db2.gz WGTJOMVHAFJDNS-GFCCVEGCSA-N 1 1 280.372 0.772 50 0 CCAAMO O=C(CC[N@@H+]1CCOC[C@H](O)C1)NCc1ccc(F)cc1 ZINC000077406419 177264251 /nfs/dbraw/zinc/26/42/51/177264251.db2.gz GTHJVAYZHCZYMW-CQSZACIVSA-N 1 1 296.342 0.525 50 0 CCAAMO CCOCC[N@H+]1CCC[C@H]([C@@]2(C)NC(=O)NC2=O)C1 ZINC000084801338 544492914 /nfs/dbraw/zinc/49/29/14/544492914.db2.gz GHTZVIWEPYKAJB-GXFFZTMASA-N 1 1 269.345 0.333 50 0 CCAAMO COC[C@@H]1CCC[N@H+]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000085859355 544495698 /nfs/dbraw/zinc/49/56/98/544495698.db2.gz BLXFIKLWEHCXBV-STQMWFEESA-N 1 1 290.429 0.769 50 0 CCAAMO CCO[C@@H](C)C(=O)N1CC[NH+](C[C@H](O)CC)CC1 ZINC000071881036 276465296 /nfs/dbraw/zinc/46/52/96/276465296.db2.gz XWEFAFOMZHHLQD-NWDGAFQWSA-N 1 1 258.362 0.327 50 0 CCAAMO CNS(=O)(=O)c1cccnc1N1CC[NH+](C(C)C)CC1 ZINC000000481382 277037820 /nfs/dbraw/zinc/03/78/20/277037820.db2.gz CKOHFYDNMXWLOH-UHFFFAOYSA-N 1 1 298.412 0.520 50 0 CCAAMO C[C@H]1NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCN2C1=O ZINC000014754764 280043218 /nfs/dbraw/zinc/04/32/18/280043218.db2.gz ZPQHNSWCOIKLCE-DGCLKSJQSA-N 1 1 273.336 0.218 50 0 CCAAMO C[C@H]1NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCN2C1=O ZINC000014754764 280043219 /nfs/dbraw/zinc/04/32/19/280043219.db2.gz ZPQHNSWCOIKLCE-DGCLKSJQSA-N 1 1 273.336 0.218 50 0 CCAAMO CC[C@@H](O)C[NH+]1CCN(C(=O)CC[C@H]2CCCO2)CC1 ZINC000069951564 280203683 /nfs/dbraw/zinc/20/36/83/280203683.db2.gz WGXOZHYJGOWNBO-ZIAGYGMSSA-N 1 1 284.400 0.861 50 0 CCAAMO C[NH+]1CCN(C[C@@H]2CCC[N@@H+](CCC(=O)[O-])C2)CC1 ZINC000069521254 290045330 /nfs/dbraw/zinc/04/53/30/290045330.db2.gz OJEMNDBZTGZVOR-CYBMUJFWSA-N 1 1 269.389 0.421 50 0 CCAAMO COCC[N@H+]1CC[C@H](C(=O)NCC2(CO)CCCC2)C1 ZINC000534589124 328317303 /nfs/dbraw/zinc/31/73/03/328317303.db2.gz HQIVPNPRUCLCBW-ZDUSSCGKSA-N 1 1 284.400 0.624 50 0 CCAAMO COCC[N@H+]1CC[C@@H](C(=O)NCC2(CO)CCCC2)C1 ZINC000534589119 328317377 /nfs/dbraw/zinc/31/73/77/328317377.db2.gz HQIVPNPRUCLCBW-CYBMUJFWSA-N 1 1 284.400 0.624 50 0 CCAAMO O=C(N[C@H]1C[NH2+]CC[C@H]1O)c1n[nH]c2ccccc21 ZINC000534660308 328342588 /nfs/dbraw/zinc/34/25/88/328342588.db2.gz RUMYUDGBLXINPL-WDEREUQCSA-N 1 1 260.297 0.016 50 0 CCAAMO Cc1ocnc1C(=O)NCC[C@H](C)N1CC[NH+](C)CC1 ZINC000534647229 328342753 /nfs/dbraw/zinc/34/27/53/328342753.db2.gz AJILGERWIAGTAP-NSHDSACASA-N 1 1 280.372 0.739 50 0 CCAAMO O=C(NC1(C[NH+]2CCCC2)CCCCC1)[C@H]1CNCCO1 ZINC000534664637 328344767 /nfs/dbraw/zinc/34/47/67/328344767.db2.gz SYIRENBZRBUUPQ-CQSZACIVSA-N 1 1 295.427 0.890 50 0 CCAAMO Cc1ccc(OCCS(=O)(=O)N2CC[NH2+][C@@H](C)C2)cc1 ZINC000534669267 328346614 /nfs/dbraw/zinc/34/66/14/328346614.db2.gz HATJZBVZRJOQID-ZDUSSCGKSA-N 1 1 298.408 0.997 50 0 CCAAMO CC(C)[C@H](CNC(=O)NCc1cc[nH]n1)[NH+]1CCOCC1 ZINC000089791363 327173309 /nfs/dbraw/zinc/17/33/09/327173309.db2.gz BURFYBVOTPWFGC-ZDUSSCGKSA-N 1 1 295.387 0.566 50 0 CCAAMO CC[N@H+]1CCC[C@H](CNS(=O)(=O)[C@@H]2CCO[C@@H]2C)C1 ZINC000195574498 336056656 /nfs/dbraw/zinc/05/66/56/336056656.db2.gz XRMKHVZCRKINII-JHJVBQTASA-N 1 1 290.429 0.815 50 0 CCAAMO C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)CN1CSCC1=O ZINC000069536408 523826746 /nfs/dbraw/zinc/82/67/46/523826746.db2.gz MCYADWASOYUBAP-NEPJUHHUSA-N 1 1 297.424 0.605 50 0 CCAAMO C[N@H+](CCS(C)(=O)=O)C[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000670438593 545235224 /nfs/dbraw/zinc/23/52/24/545235224.db2.gz WESNAYCJJZOKAF-LLVKDONJSA-N 1 1 290.429 0.610 50 0 CCAAMO C[N@@H+](CCS(C)(=O)=O)C[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000670438593 545235225 /nfs/dbraw/zinc/23/52/25/545235225.db2.gz WESNAYCJJZOKAF-LLVKDONJSA-N 1 1 290.429 0.610 50 0 CCAAMO CSCC(=O)NCCC[N@H+]1CCCC[C@@H]1CO ZINC000670443011 545235314 /nfs/dbraw/zinc/23/53/14/545235314.db2.gz OELPWBDSOXCUJB-LLVKDONJSA-N 1 1 260.403 0.703 50 0 CCAAMO CO[C@H]1C[N@H+](Cc2ccc3nsnc3c2)C[C@@H]1O ZINC000670451998 545236122 /nfs/dbraw/zinc/23/61/22/545236122.db2.gz SWGZEZJFWUAAMU-RYUDHWBXSA-N 1 1 265.338 0.883 50 0 CCAAMO CO[C@H]1C[N@@H+](Cc2ccc3nsnc3c2)C[C@@H]1O ZINC000670451998 545236123 /nfs/dbraw/zinc/23/61/23/545236123.db2.gz SWGZEZJFWUAAMU-RYUDHWBXSA-N 1 1 265.338 0.883 50 0 CCAAMO CC[N@H+]1CCCC[C@@H]1C(=O)NCc1nc(COC)no1 ZINC000670457645 545236357 /nfs/dbraw/zinc/23/63/57/545236357.db2.gz GQOCPLVCGGTQBP-SNVBAGLBSA-N 1 1 282.344 0.707 50 0 CCAAMO CCc1[nH+]ccn1CCC(=O)N1C[C@@H](O)[C@H](F)C1 ZINC000952976634 615777210 /nfs/dbraw/zinc/77/72/10/615777210.db2.gz SEMHJOGIPJOBIB-NXEZZACHSA-N 1 1 255.293 0.377 50 0 CCAAMO CC(C)C[N@H+]1CCNC(=O)[C@@H]1CC(=O)NCCOC(C)C ZINC000012442997 639612516 /nfs/dbraw/zinc/61/25/16/639612516.db2.gz QEMNRLQSIDELSB-ZDUSSCGKSA-N 1 1 299.415 0.374 50 0 CCAAMO C[C@@H](CS(C)(=O)=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000426388098 812766276 /nfs/dbraw/zinc/76/62/76/812766276.db2.gz ALYINELCFRBTHS-NSHDSACASA-N 1 1 260.403 0.495 50 0 CCAAMO C[N@H+]1CCC[C@@H](CNc2nc(N)nc3n[nH]cc32)C1 ZINC000032592885 816381082 /nfs/dbraw/zinc/38/10/82/816381082.db2.gz PHFPAAUYKYJQFP-QMMMGPOBSA-N 1 1 261.333 0.689 50 0 CCAAMO C[C@H](CS(C)(=O)=O)[N@@H+](C)CCCn1cccn1 ZINC000823647179 821526093 /nfs/dbraw/zinc/52/60/93/821526093.db2.gz GDYLVSWXUNOZNF-LLVKDONJSA-N 1 1 259.375 0.638 50 0 CCAAMO C[N@H+]1CCCCC[C@H]1C(=O)NCCCN1CCCC1=O ZINC000823778701 821537332 /nfs/dbraw/zinc/53/73/32/821537332.db2.gz ZOUOIYDFWYGCJQ-ZDUSSCGKSA-N 1 1 281.400 0.990 50 0 CCAAMO CN1CCCN(CCN2CCOCC2)CC12CC[NH2+]CC2 ZINC000823778359 821537671 /nfs/dbraw/zinc/53/76/71/821537671.db2.gz LABZBNKJHOMLJE-UHFFFAOYSA-N 1 1 296.459 0.078 50 0 CCAAMO COCCC[N@H+]1CC[C@@H](CNC(=O)c2ncc[nH]2)C1 ZINC000824390236 821627557 /nfs/dbraw/zinc/62/75/57/821627557.db2.gz XSCRBTLTCPVRCP-NSHDSACASA-N 1 1 266.345 0.498 50 0 CCAAMO COCC[N@H+]1CCC[C@H](CNC(=O)c2cccc(=O)[nH]2)C1 ZINC000824413125 821629824 /nfs/dbraw/zinc/62/98/24/821629824.db2.gz DWWBAKZPLXYJGA-GFCCVEGCSA-N 1 1 293.367 0.875 50 0 CCAAMO COCCN1C[C@@H](CNc2[nH+]cnc3[nH]ccc32)CC1=O ZINC000824412287 821630309 /nfs/dbraw/zinc/63/03/09/821630309.db2.gz ADESCJNHKMXXNE-SNVBAGLBSA-N 1 1 289.339 0.865 50 0 CCAAMO NC(=O)NCC(=O)NCC[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000827838692 821699885 /nfs/dbraw/zinc/69/98/85/821699885.db2.gz CFWOVPLCJKAMTI-ZDUSSCGKSA-N 1 1 296.415 0.958 50 0 CCAAMO O=C(NCC[N@@H+]1CCCC[C@@H]1CO)c1cncc(O)c1 ZINC000828710807 821811642 /nfs/dbraw/zinc/81/16/42/821811642.db2.gz HTOIDEKKRWLMPZ-GFCCVEGCSA-N 1 1 279.340 0.364 50 0 CCAAMO Cc1nc2c(c(N3CC[C@@H](CO)C3)n1)CC[N@@H+](C)CC2 ZINC000065382566 822217382 /nfs/dbraw/zinc/21/73/82/822217382.db2.gz SWBNPJRAURCOLT-GFCCVEGCSA-N 1 1 276.384 0.634 50 0 CCAAMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](C[C@@H](O)[C@@H](C)O)C1 ZINC000585117321 839607888 /nfs/dbraw/zinc/60/78/88/839607888.db2.gz YINZXNCJXOKTGB-REWJHTLYSA-N 1 1 286.416 0.745 50 0 CCAAMO C[N@H+]1CCC[C@@H]1C(=O)NC1(CO)CCSCC1 ZINC000585121344 839609701 /nfs/dbraw/zinc/60/97/01/839609701.db2.gz MQMDKCMIIPOAFF-SNVBAGLBSA-N 1 1 258.387 0.455 50 0 CCAAMO Nc1nc(NCCc2ccn[nH]2)cc([C@H]2C[C@@H]([NH3+])C2)n1 ZINC000219875118 230397026 /nfs/dbraw/zinc/39/70/26/230397026.db2.gz OUNZOFTYNBJLFI-KYZUINATSA-N 1 1 273.344 0.641 50 0 CCAAMO CC(C)N1CCC[C@@H]([N@@H+](C)CC(C)(CO)CO)C1=O ZINC000095975889 185050627 /nfs/dbraw/zinc/05/06/27/185050627.db2.gz JTSFHIZTAVUTAZ-GFCCVEGCSA-N 1 1 272.389 0.309 50 0 CCAAMO CC[N@H+]1CCC[C@H]1Cn1ncc(N(C)C)cc1=O ZINC000095355698 349601693 /nfs/dbraw/zinc/60/16/93/349601693.db2.gz MODMODOKSZBHSC-NSHDSACASA-N 1 1 250.346 0.794 50 0 CCAAMO Cc1[nH+]ccn1CCCN1C(=O)NC(C)(C)C1=O ZINC000095350385 349602003 /nfs/dbraw/zinc/60/20/03/349602003.db2.gz QSCKCDYSLFOSLV-UHFFFAOYSA-N 1 1 250.302 0.912 50 0 CCAAMO CCc1ncc(C(=O)NCCC[N@H+]2CCC[C@H](O)C2)cn1 ZINC000095392266 349607218 /nfs/dbraw/zinc/60/72/18/349607218.db2.gz WGAQTDBXKKZNGM-ZDUSSCGKSA-N 1 1 292.383 0.616 50 0 CCAAMO C[C@@H](Cn1cc(Br)cn1)[NH2+]Cc1nncn1C ZINC000095420204 349609978 /nfs/dbraw/zinc/60/99/78/349609978.db2.gz XORVPNUFPIEWLO-QMMMGPOBSA-N 1 1 299.176 0.952 50 0 CCAAMO COCCNC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000095452818 349612033 /nfs/dbraw/zinc/61/20/33/349612033.db2.gz LSCDNVFQFQNEMG-VXGBXAGGSA-N 1 1 255.362 0.759 50 0 CCAAMO CC(C)[C@H](CNC(=O)NC[C@H](C)O)[NH+]1CCOCC1 ZINC000097101361 349628191 /nfs/dbraw/zinc/62/81/91/349628191.db2.gz RVPRCTYUMBQYTI-RYUDHWBXSA-N 1 1 273.377 0.023 50 0 CCAAMO Cc1cc(C(=O)N2CC[NH+](C[C@@H](O)C3CC3)CC2)no1 ZINC000085436692 179062621 /nfs/dbraw/zinc/06/26/21/179062621.db2.gz CMYCADHQHNFCNY-CYBMUJFWSA-N 1 1 279.340 0.512 50 0 CCAAMO C[C@H](O)C[NH+]1CCN(C(=O)NCc2cccs2)CC1 ZINC000085466886 179072401 /nfs/dbraw/zinc/07/24/01/179072401.db2.gz HTRRRIJMENJGOG-NSHDSACASA-N 1 1 283.397 0.956 50 0 CCAAMO C[N@@H+](CCO)C[C@H]1COCCN1C(=O)C1CCCCC1 ZINC000085469761 179075177 /nfs/dbraw/zinc/07/51/77/179075177.db2.gz LGQSHENRCLMMHT-AWEZNQCLSA-N 1 1 284.400 0.718 50 0 CCAAMO Cc1cccc(C)c1NC(=O)C[NH2+]CC(=O)N(C)C ZINC000002653486 347970412 /nfs/dbraw/zinc/97/04/12/347970412.db2.gz GWAWNRNQGDUICU-UHFFFAOYSA-N 1 1 263.341 0.920 50 0 CCAAMO CCCN1C[C@H](C(=O)N2CC[NH+](C)CC2)CC1=O ZINC000033359501 348145520 /nfs/dbraw/zinc/14/55/20/348145520.db2.gz AHZNODPIGXTLRN-LLVKDONJSA-N 1 1 253.346 0.019 50 0 CCAAMO O=C(CCc1ccc(F)cc1)N1CC[NH+](CCO)CC1 ZINC000035116022 348156973 /nfs/dbraw/zinc/15/69/73/348156973.db2.gz QBZUOUIHNOWKFD-UHFFFAOYSA-N 1 1 280.343 0.895 50 0 CCAAMO Cc1cc(N2CCN(C(=O)N(C)C)CC2)nc(C)[nH+]1 ZINC000040520133 348236942 /nfs/dbraw/zinc/23/69/42/348236942.db2.gz YFWPXOMHMWEULX-UHFFFAOYSA-N 1 1 263.345 0.897 50 0 CCAAMO OC[C@@H]1CC[C@H]2CN(c3ncc(F)cn3)CC[N@H+]2C1 ZINC000044124328 348316816 /nfs/dbraw/zinc/31/68/16/348316816.db2.gz XRKCPDJKDFJNRF-PWSUYJOCSA-N 1 1 266.320 0.509 50 0 CCAAMO COc1ccc(CC[NH+]2CCN([C@@H](C)C(N)=O)CC2)cc1 ZINC000058175324 348622276 /nfs/dbraw/zinc/62/22/76/348622276.db2.gz REDJPFDUXNQPJN-ZDUSSCGKSA-N 1 1 291.395 0.729 50 0 CCAAMO Cn1cc(CCC(=O)NCC[N@@H+](C)C2CC2)cn1 ZINC000063116529 348677141 /nfs/dbraw/zinc/67/71/41/348677141.db2.gz MTTSCCHAHJZXEG-UHFFFAOYSA-N 1 1 250.346 0.563 50 0 CCAAMO OC[C@@H](O)C[N@@H+](CCCn1ccnc1)Cc1ccncc1 ZINC000063870929 348694990 /nfs/dbraw/zinc/69/49/90/348694990.db2.gz DWQVZDGMLQVRDO-HNNXBMFYSA-N 1 1 290.367 0.524 50 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COCC(=O)Nc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1F ZINC000170086121 350842101 /nfs/dbraw/zinc/84/21/01/350842101.db2.gz MAEYAPFPDYRXIA-LLVKDONJSA-N 1 1 282.315 0.977 50 0 CCAAMO COCCCNC(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000176483877 351176043 /nfs/dbraw/zinc/17/60/43/351176043.db2.gz YLKQREVUDCHEPB-WDEREUQCSA-N 1 1 255.362 0.947 50 0 CCAAMO C[C@@H]1COCCN1CC[N@@H+](C)C1(CO)CCOCC1 ZINC000192821645 351799769 /nfs/dbraw/zinc/79/97/69/351799769.db2.gz KGPCGOXMIRDJST-CYBMUJFWSA-N 1 1 272.389 0.180 50 0 CCAAMO c1cc2nonc2c(C[NH+]2CC(N3CCOCC3)C2)c1 ZINC000216306423 351941196 /nfs/dbraw/zinc/94/11/96/351941196.db2.gz GAHSOPIGFJRKLB-UHFFFAOYSA-N 1 1 274.324 0.739 50 0 CCAAMO CN(C)C(=O)CN1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195301478 351908580 /nfs/dbraw/zinc/90/85/80/351908580.db2.gz RZIBWDVUICADBR-HNNXBMFYSA-N 1 1 290.411 0.924 50 0 CCAAMO CN(C)C(=O)C[N@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000195301478 351908582 /nfs/dbraw/zinc/90/85/82/351908582.db2.gz RZIBWDVUICADBR-HNNXBMFYSA-N 1 1 290.411 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C[N@@H+](C[C@H](O)Cn1nc(C(F)(F)F)ccc1=O)C1CC1 ZINC000290735284 353746032 /nfs/dbraw/zinc/74/60/32/353746032.db2.gz GKDXYWVOKAOLRR-VIFPVBQESA-N 1 1 291.273 0.717 50 0 CCAAMO CO[C@H]1C[N@H+](C(C)C)C[C@@H]1NC(=O)CCn1ccnc1C ZINC000299757890 354047101 /nfs/dbraw/zinc/04/71/01/354047101.db2.gz IFWPMWWSOXEQTN-KBPBESRZSA-N 1 1 294.399 0.805 50 0 CCAAMO c1nc(C[N@@H+]2CC[C@H]3OCc4cnnn4[C@H]3C2)c[nH]1 ZINC000299776372 354050442 /nfs/dbraw/zinc/05/04/42/354050442.db2.gz KCXZSJAFBBHRRQ-NWDGAFQWSA-N 1 1 260.301 0.347 50 0 CCAAMO c1nc(C[N@H+]2CC[C@H]3OCc4cnnn4[C@H]3C2)c[nH]1 ZINC000299776372 354050444 /nfs/dbraw/zinc/05/04/44/354050444.db2.gz KCXZSJAFBBHRRQ-NWDGAFQWSA-N 1 1 260.301 0.347 50 0 CCAAMO COCC[N@H+]1CC[C@@H](CNC(=O)c2ccc(O)cn2)C1 ZINC000299777184 354050706 /nfs/dbraw/zinc/05/07/06/354050706.db2.gz PGJNYUCOEYSKDZ-NSHDSACASA-N 1 1 279.340 0.485 50 0 CCAAMO C[N@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)CO)C1 ZINC000330477793 354374113 /nfs/dbraw/zinc/37/41/13/354374113.db2.gz MUWXSAJAJRUASV-ZDUSSCGKSA-N 1 1 263.341 0.354 50 0 CCAAMO O=C(NCC[N@@H+]1CCC[C@@H](CO)C1)c1cncc(O)c1 ZINC000584886697 359227029 /nfs/dbraw/zinc/22/70/29/359227029.db2.gz MPUMINXZSPNXBJ-LLVKDONJSA-N 1 1 279.340 0.221 50 0 CCAAMO C[N@H+]1CCCC[C@@H]1CCC(=O)NCCc1cn[nH]n1 ZINC000584892281 359231850 /nfs/dbraw/zinc/23/18/50/359231850.db2.gz PNCICAMWHJWDOI-GFCCVEGCSA-N 1 1 265.361 0.728 50 0 CCAAMO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCCc1c[nH]nn1 ZINC000584892281 359231853 /nfs/dbraw/zinc/23/18/53/359231853.db2.gz PNCICAMWHJWDOI-GFCCVEGCSA-N 1 1 265.361 0.728 50 0 CCAAMO C[N@H+]1CCCC[C@@H]1CCC(=O)NCCc1c[nH]nn1 ZINC000584892281 359231856 /nfs/dbraw/zinc/23/18/56/359231856.db2.gz PNCICAMWHJWDOI-GFCCVEGCSA-N 1 1 265.361 0.728 50 0 CCAAMO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCCc1cnn[nH]1 ZINC000584892281 359231859 /nfs/dbraw/zinc/23/18/59/359231859.db2.gz PNCICAMWHJWDOI-GFCCVEGCSA-N 1 1 265.361 0.728 50 0 CCAAMO C[N@H+]1CCCC[C@@H]1CCC(=O)NCCc1cnn[nH]1 ZINC000584892281 359231860 /nfs/dbraw/zinc/23/18/60/359231860.db2.gz PNCICAMWHJWDOI-GFCCVEGCSA-N 1 1 265.361 0.728 50 0 CCAAMO COCCn1ccnc1C[N@H+](C)C[C@@H]1CCOC1 ZINC000584894807 359235884 /nfs/dbraw/zinc/23/58/84/359235884.db2.gz FYLGUKQFXQUHAK-LBPRGKRZSA-N 1 1 253.346 0.998 50 0 CCAAMO COCCn1ccnc1C[N@@H+](C)C[C@@H]1CCOC1 ZINC000584894807 359235888 /nfs/dbraw/zinc/23/58/88/359235888.db2.gz FYLGUKQFXQUHAK-LBPRGKRZSA-N 1 1 253.346 0.998 50 0 CCAAMO CC[C@H](NC(=O)CN1CCC[N@@H+](C)CC1)c1nc(C)c[nH]1 ZINC000584899312 359239022 /nfs/dbraw/zinc/23/90/22/359239022.db2.gz QTMCFIOFCXHQKE-ZDUSSCGKSA-N 1 1 293.415 0.923 50 0 CCAAMO CN(CCCn1cccn1)C(=O)CN1CCC[N@@H+](C)CC1 ZINC000584899931 359240532 /nfs/dbraw/zinc/24/05/32/359240532.db2.gz QEKNHZMSLMWXGN-UHFFFAOYSA-N 1 1 293.415 0.369 50 0 CCAAMO O=C([C@@H]1[NH2+]CCc2nc[nH]c21)N1CCC2(CCCO2)CC1 ZINC000584903854 359243844 /nfs/dbraw/zinc/24/38/44/359243844.db2.gz CYESVMYREYQGHO-CYBMUJFWSA-N 1 1 290.367 0.768 50 0 CCAAMO CCO[C@H]1C[N@@H+](C)C[C@@H]1NC(=O)c1cncc(F)c1 ZINC000584903834 359243933 /nfs/dbraw/zinc/24/39/33/359243933.db2.gz FVOGMOZMVQXJKB-RYUDHWBXSA-N 1 1 267.304 0.670 50 0 CCAAMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)O[C@H]1CNOC1 ZINC000585137078 359252007 /nfs/dbraw/zinc/25/20/07/359252007.db2.gz HFLXCKPLCABXRM-KBPBESRZSA-N 1 1 291.351 0.891 50 0 CCAAMO C[C@@H]1C[N@H+](CCCNC(=O)c2cn(C)cn2)C[C@H](C)O1 ZINC000178177628 189095512 /nfs/dbraw/zinc/09/55/12/189095512.db2.gz FVEIDDGRTJHOTG-TXEJJXNPSA-N 1 1 280.372 0.649 50 0 CCAAMO O=C(C[C@H]1COCC[NH2+]1)N1CCNC[C@H]1c1ccccc1 ZINC000333616841 283872360 /nfs/dbraw/zinc/87/23/60/283872360.db2.gz RENIAIGZPDUPOD-GJZGRUSLSA-N 1 1 289.379 0.538 50 0 CCAAMO C[C@@H]1C(=O)NCCN1C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000336482082 213353430 /nfs/dbraw/zinc/35/34/30/213353430.db2.gz NSUCAXNJVKTWOH-NEPJUHHUSA-N 1 1 296.415 0.637 50 0 CCAAMO C[C@@H](C1CC1)[N@@H+](C[C@H](O)CN1CCOCC1)C1CC1 ZINC000044950126 388872844 /nfs/dbraw/zinc/87/28/44/388872844.db2.gz WEOWVDHYEFNROC-SWLSCSKDSA-N 1 1 268.401 0.942 50 0 CCAAMO C[NH+]1CCN(C(=O)CN2CCCCCCC2=O)CC1 ZINC000047704440 388882472 /nfs/dbraw/zinc/88/24/72/388882472.db2.gz IIEHWMKPLADCRL-UHFFFAOYSA-N 1 1 267.373 0.553 50 0 CCAAMO COC(=O)CN1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000048342283 388889653 /nfs/dbraw/zinc/88/96/53/388889653.db2.gz BQGMQCJMNQYCIQ-UHFFFAOYSA-N 1 1 278.352 0.986 50 0 CCAAMO COCC[N@@H+](C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000049236665 388918012 /nfs/dbraw/zinc/91/80/12/388918012.db2.gz YMBQKXQZCCVEFJ-UHFFFAOYSA-N 1 1 288.369 0.291 50 0 CCAAMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cn(C)cn1 ZINC000072282378 388960855 /nfs/dbraw/zinc/96/08/55/388960855.db2.gz GFLSSWNRQNSKKK-WDEREUQCSA-N 1 1 284.385 0.277 50 0 CCAAMO C[N@H+]1CCCN(C(=O)NCCn2ccnc2)CC1 ZINC000065437113 388943468 /nfs/dbraw/zinc/94/34/68/388943468.db2.gz KTPFVQZKBCCBAJ-UHFFFAOYSA-N 1 1 251.334 0.230 50 0 CCAAMO C[N@H+]1CCN2C[C@@H](NC(=O)c3nc4ccccc4[nH]3)C[C@H]2C1 ZINC000067840814 388947463 /nfs/dbraw/zinc/94/74/63/388947463.db2.gz YDEUSYAPRKLHOB-RYUDHWBXSA-N 1 1 299.378 0.681 50 0 CCAAMO CN1CC[N@@H+]2C[C@@H](NC(=O)c3nc4ccccc4[nH]3)C[C@H]2C1 ZINC000067840814 388947467 /nfs/dbraw/zinc/94/74/67/388947467.db2.gz YDEUSYAPRKLHOB-RYUDHWBXSA-N 1 1 299.378 0.681 50 0 CCAAMO CN1CC[N@H+]2C[C@@H](NC(=O)c3nc4ccccc4[nH]3)C[C@H]2C1 ZINC000067840814 388947471 /nfs/dbraw/zinc/94/74/71/388947471.db2.gz YDEUSYAPRKLHOB-RYUDHWBXSA-N 1 1 299.378 0.681 50 0 CCAAMO C[C@H]1C[N@H+](C)CCN1C(=O)c1cn2cccnc2n1 ZINC000089938760 389018556 /nfs/dbraw/zinc/01/85/56/389018556.db2.gz XZDCWFSMJOPHGN-JTQLQIEISA-N 1 1 259.313 0.505 50 0 CCAAMO C[C@H]1C[N@@H+](C)CCN1C(=O)c1cn2cccnc2n1 ZINC000089938760 389018559 /nfs/dbraw/zinc/01/85/59/389018559.db2.gz XZDCWFSMJOPHGN-JTQLQIEISA-N 1 1 259.313 0.505 50 0 CCAAMO Cc1cnn(C)c1C[N@@H+]1CC[C@@H]2OCc3cnnn3[C@H]2C1 ZINC000299779972 389042313 /nfs/dbraw/zinc/04/23/13/389042313.db2.gz SJTOOHAGACYHQR-KBPBESRZSA-N 1 1 288.355 0.666 50 0 CCAAMO Cc1cnn(C)c1C[N@H+]1CC[C@@H]2OCc3cnnn3[C@H]2C1 ZINC000299779972 389042318 /nfs/dbraw/zinc/04/23/18/389042318.db2.gz SJTOOHAGACYHQR-KBPBESRZSA-N 1 1 288.355 0.666 50 0 CCAAMO Nc1nc(N2CCCC2)cc(N2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000244626756 389203856 /nfs/dbraw/zinc/20/38/56/389203856.db2.gz FSFNMZCVIACDTB-LBPRGKRZSA-N 1 1 288.399 0.943 50 0 CCAAMO CN1CCO[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000245289809 389204863 /nfs/dbraw/zinc/20/48/63/389204863.db2.gz FGCACGOHKAUXST-FRRDWIJNSA-N 1 1 267.373 0.012 50 0 CCAAMO C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2C[C@H]2c2cccnc2)CC1 ZINC000248322431 389244534 /nfs/dbraw/zinc/24/45/34/389244534.db2.gz WGECLASMKSFQPB-QEJZJMRPSA-N 1 1 289.379 0.710 50 0 CCAAMO CCNC(=O)NC(=O)C[N@H+]1CCSCC[C@H]1C ZINC000170616732 389457503 /nfs/dbraw/zinc/45/75/03/389457503.db2.gz ORAFLMLBWHRWDZ-SECBINFHSA-N 1 1 259.375 0.660 50 0 CCAAMO CC(C)Nc1cc([C@H]2CCOC2)[nH+]c(NCCO)n1 ZINC000426563034 389672485 /nfs/dbraw/zinc/67/24/85/389672485.db2.gz AGHZRDUGJTZAMU-JTQLQIEISA-N 1 1 266.345 0.049 50 0 CCAAMO Cc1cc(CNC(=O)[C@H](C)N2CC[NH+](C)CC2)cnc1C ZINC000426606766 389674408 /nfs/dbraw/zinc/67/44/08/389674408.db2.gz QARCEYCSTQTIMS-AWEZNQCLSA-N 1 1 290.411 0.951 50 0 CCAAMO C[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)Cn1ccnn1 ZINC000426658476 389675808 /nfs/dbraw/zinc/67/58/08/389675808.db2.gz REJYNHZPZCSCHU-CQSZACIVSA-N 1 1 285.351 0.451 50 0 CCAAMO c1ccc2[nH+]c(NCc3nnc4n3CCOC4)[nH]c2c1 ZINC000375446790 389677838 /nfs/dbraw/zinc/67/78/38/389677838.db2.gz HHKHSXPYHIDXJX-UHFFFAOYSA-N 1 1 270.296 0.719 50 0 CCAAMO NC(=O)[C@H]1C[N@@H+](Cc2ccc(Cl)s2)C[C@H]1C(N)=O ZINC000585116579 390357704 /nfs/dbraw/zinc/35/77/04/390357704.db2.gz BNKZJZQJBGLOBX-OCAPTIKFSA-N 1 1 287.772 0.420 50 0 CCAAMO Cc1ccc([C@@H](O)CNC(=O)[C@H]2COCC[NH2+]2)cc1 ZINC000269219985 132135107 /nfs/dbraw/zinc/13/51/07/132135107.db2.gz IAIRAHRVYIJDGA-OLZOCXBDSA-N 1 1 264.325 0.133 50 0 CCAAMO COC(=O)c1ccccc1NC(=O)NN1CC[NH+](C)CC1 ZINC000005041826 170059965 /nfs/dbraw/zinc/05/99/65/170059965.db2.gz ICPIUIDUNFCMSO-UHFFFAOYSA-N 1 1 292.339 0.757 50 0 CCAAMO Cc1c(C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cnn1C ZINC000047638517 411648828 /nfs/dbraw/zinc/64/88/28/411648828.db2.gz XPQFXRGCTMSEHT-SDDRHHMPSA-N 1 1 294.399 0.956 50 0 CCAAMO Cc1c(C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cnn1C ZINC000047638517 411648834 /nfs/dbraw/zinc/64/88/34/411648834.db2.gz XPQFXRGCTMSEHT-SDDRHHMPSA-N 1 1 294.399 0.956 50 0 CCAAMO CCOCCCNc1cc([C@H]2CCOC2)[nH+]c(N)n1 ZINC000426414653 411817891 /nfs/dbraw/zinc/81/78/91/411817891.db2.gz ODMFZRDYXKQVIS-JTQLQIEISA-N 1 1 266.345 0.823 50 0 CCAAMO Nc1nc(N2CCOCC2)cc([C@@H]2CCOC2)[nH+]1 ZINC000426444940 411819320 /nfs/dbraw/zinc/81/93/20/411819320.db2.gz MFTRPYVWZXTKTQ-SECBINFHSA-N 1 1 250.302 0.399 50 0 CCAAMO Nc1nc(N2CCSCC2)cc([C@@H]2CCOC2)[nH+]1 ZINC000426421005 411819922 /nfs/dbraw/zinc/81/99/22/411819922.db2.gz AYXLOKUFPAQPPO-SECBINFHSA-N 1 1 266.370 1.116 50 0 CCAAMO CCCCOC[C@@H](O)C[NH+]1CCN(C(C)=O)CC1 ZINC000019812009 170879062 /nfs/dbraw/zinc/87/90/62/170879062.db2.gz AHGIYOMXVURRRU-ZDUSSCGKSA-N 1 1 258.362 0.328 50 0 CCAAMO C[NH+]1CCN(C(=O)COc2ccccc2F)CC1 ZINC000020149101 171037585 /nfs/dbraw/zinc/03/75/85/171037585.db2.gz KCKWIDWQMGXRMJ-UHFFFAOYSA-N 1 1 252.289 0.979 50 0 CCAAMO Cn1ncc(Cl)c1C(=O)NCCC[NH+]1CCOCC1 ZINC000020427454 171192488 /nfs/dbraw/zinc/19/24/88/171192488.db2.gz FPZIVLWQBHYQCZ-UHFFFAOYSA-N 1 1 286.763 0.526 50 0 CCAAMO Cc1cnc(C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)cn1 ZINC000022693474 171396368 /nfs/dbraw/zinc/39/63/68/171396368.db2.gz KGMODALKKNFOEP-CYBMUJFWSA-N 1 1 292.383 0.872 50 0 CCAAMO [NH3+]Cc1noc(C(=O)N[C@H]2CCc3ccccc32)n1 ZINC000034924905 171893419 /nfs/dbraw/zinc/89/34/19/171893419.db2.gz YNUGLWPGKMFROX-JTQLQIEISA-N 1 1 258.281 0.946 50 0 CCAAMO C[NH+](C)[C@H](CNS(C)(=O)=O)c1cccc(F)c1 ZINC000040468866 174277422 /nfs/dbraw/zinc/27/74/22/174277422.db2.gz RCSFLTMZHVLVIK-LLVKDONJSA-N 1 1 260.334 0.978 50 0 CCAAMO CC(C)C[C@@H]([NH3+])C(=O)NCc1n[nH]c2c1CCC2 ZINC000071416270 176160372 /nfs/dbraw/zinc/16/03/72/176160372.db2.gz HIDJJHGLVNUTPF-SNVBAGLBSA-N 1 1 250.346 0.888 50 0 CCAAMO COCc1nnc(C(=O)N(C)C[C@@]2(C)CC[N@@H+](C)C2)o1 ZINC000071758875 176260877 /nfs/dbraw/zinc/26/08/77/176260877.db2.gz VYWXGWKSQBTCPN-ZDUSSCGKSA-N 1 1 282.344 0.630 50 0 CCAAMO CCOC(=O)CN(C)C(=O)C[N@@H+](C)[C@@H](C)C1CC1 ZINC000071896991 176291948 /nfs/dbraw/zinc/29/19/48/176291948.db2.gz YTXOKUFJNWYOMK-JTQLQIEISA-N 1 1 256.346 0.738 50 0 CCAAMO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1CC(=O)N1CCC1 ZINC000069901994 544449026 /nfs/dbraw/zinc/44/90/26/544449026.db2.gz PATLQTQVRQIEFX-ZIAGYGMSSA-N 1 1 279.384 0.694 50 0 CCAAMO Cc1[nH+]cn(CC(=O)N2C[C@H]3CCC[C@@H](C2)NC3=O)c1C ZINC000221248022 544818221 /nfs/dbraw/zinc/81/82/21/544818221.db2.gz DTKZIZZULYLPQD-OLZOCXBDSA-N 1 1 290.367 0.627 50 0 CCAAMO C[C@@H]1CCC[N@@H+](Cn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000000533260 274291972 /nfs/dbraw/zinc/29/19/72/274291972.db2.gz HTGALOQGSDZBJO-SNVBAGLBSA-N 1 1 291.355 0.123 50 0 CCAAMO C[C@@H]1CCc2[nH]c(=O)c(C(=O)N3CC[NH+](C)CC3)cc2C1 ZINC000049551837 287813870 /nfs/dbraw/zinc/81/38/70/287813870.db2.gz 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Cc1nc(Cl)cc(N2CC[N@H+](C)C[C@@H]2CO)n1 ZINC000585117978 839607947 /nfs/dbraw/zinc/60/79/47/839607947.db2.gz LMBOSBPFGGVYSR-SECBINFHSA-N 1 1 256.737 0.551 50 0 CCAAMO CCc1nsc(N2CC[NH+](CCC(=O)NC)CC2)n1 ZINC000096441690 230372769 /nfs/dbraw/zinc/37/27/69/230372769.db2.gz HZGMREAEUJIBPW-UHFFFAOYSA-N 1 1 283.401 0.359 50 0 CCAAMO CCOC[C@H](O)C[N@H+]1CC[C@H](N(C)Cc2noc(C)n2)C1 ZINC000095402645 349608206 /nfs/dbraw/zinc/60/82/06/349608206.db2.gz KUPNMBZJRZGVQV-QWHCGFSZSA-N 1 1 298.387 0.282 50 0 CCAAMO CC(C)OC[C@H](O)CN1CCN(c2cc[nH+]cc2)CC1 ZINC000096473811 349618869 /nfs/dbraw/zinc/61/88/69/349618869.db2.gz PUXDRODJJKNGBN-OAHLLOKOSA-N 1 1 279.384 0.990 50 0 CCAAMO C[C@@H]1C[C@@H]1C(=O)N1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000096416567 349619504 /nfs/dbraw/zinc/61/95/04/349619504.db2.gz HFXDRVLHXNLRTC-NEPJUHHUSA-N 1 1 289.383 0.847 50 0 CCAAMO [NH3+][C@H](C(=O)N1CCN(C2CC2)C(=O)C1)c1ccccc1 ZINC000097019158 185153031 /nfs/dbraw/zinc/15/30/31/185153031.db2.gz PYLWGGKMEMOVIC-AWEZNQCLSA-N 1 1 273.336 0.520 50 0 CCAAMO C[NH+](C)CC(=O)N[C@H](C(N)=O)c1ccc(F)cc1 ZINC000097095557 349627775 /nfs/dbraw/zinc/62/77/75/349627775.db2.gz BXCVXSNVIDTZQA-NSHDSACASA-N 1 1 253.277 0.030 50 0 CCAAMO C[N@H+]1CCCC[C@@H]1CC(=O)NCCn1ccnn1 ZINC000426491420 530051780 /nfs/dbraw/zinc/05/17/80/530051780.db2.gz KSGNUQDFQAQLMB-LLVKDONJSA-N 1 1 251.334 0.269 50 0 CCAAMO O[C@@H](COCc1ccccc1)C[NH+]1CCOCC1 ZINC000019537387 348065138 /nfs/dbraw/zinc/06/51/38/348065138.db2.gz AFOBAUYOOAMFMF-CQSZACIVSA-N 1 1 251.326 0.896 50 0 CCAAMO CCNC(=S)N[C@@H]1C2CN3CC1(C)C[N@@H+](C2)CC3 ZINC000020058143 348077176 /nfs/dbraw/zinc/07/71/76/348077176.db2.gz KCQGMHPAIPKXEY-QWKFWESOSA-N 1 1 268.430 0.106 50 0 CCAAMO O=C(CC[NH+]1CCN(CCO)CC1)Nc1cccc(F)c1 ZINC000019293958 348059617 /nfs/dbraw/zinc/05/96/17/348059617.db2.gz KVBCHVKAFGXKAK-UHFFFAOYSA-N 1 1 295.358 0.764 50 0 CCAAMO O[C@@H]1COC[C@H]1[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000032918437 348141012 /nfs/dbraw/zinc/14/10/12/348141012.db2.gz XPOIHAAJBOHFLR-ZIAGYGMSSA-N 1 1 266.316 0.707 50 0 CCAAMO O=S(=O)(c1ccc(F)c(F)c1)N1CC[NH2+]CC1 ZINC000034854072 348152339 /nfs/dbraw/zinc/15/23/39/348152339.db2.gz XKGBMSVWWYWNRI-UHFFFAOYSA-N 1 1 262.281 0.559 50 0 CCAAMO C[C@@H](C(=O)NCCC[NH+]1CCOCC1)n1cccn1 ZINC000042377496 348276868 /nfs/dbraw/zinc/27/68/68/348276868.db2.gz XGRHVMOPTXBCIM-LBPRGKRZSA-N 1 1 266.345 0.283 50 0 CCAAMO NC(=O)C[NH+]1CCC(NC(=O)Cc2ccc(F)cc2)CC1 ZINC000043121476 348305184 /nfs/dbraw/zinc/30/51/84/348305184.db2.gz WDKJNLXTVCIDON-UHFFFAOYSA-N 1 1 293.342 0.434 50 0 CCAAMO C[C@H]1CCc2[nH]c(=O)c(C(=O)N3CC[NH+](C)CC3)cc2C1 ZINC000049551839 348456454 /nfs/dbraw/zinc/45/64/54/348456454.db2.gz OIMZBODHMQQGNW-NSHDSACASA-N 1 1 289.379 0.887 50 0 CCAAMO COCC[NH+]1CCN(CC(=O)N(C)Cc2ccco2)CC1 ZINC000054187835 348544494 /nfs/dbraw/zinc/54/44/94/348544494.db2.gz ZAMSEFBMCHXZOO-UHFFFAOYSA-N 1 1 295.383 0.502 50 0 CCAAMO c1cnc(NCC[NH+]2CCN(c3ncccn3)CC2)nc1 ZINC000052433712 348509571 /nfs/dbraw/zinc/50/95/71/348509571.db2.gz HODOCHFHVGWMDS-UHFFFAOYSA-N 1 1 285.355 0.501 50 0 CCAAMO CCc1ccccc1OCC[N@@H+](C)C[C@H](O)CO ZINC000055120617 348571245 /nfs/dbraw/zinc/57/12/45/348571245.db2.gz MQZQKYPCCNYASW-ZDUSSCGKSA-N 1 1 253.342 0.913 50 0 CCAAMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccccn1 ZINC000058268335 348623947 /nfs/dbraw/zinc/62/39/47/348623947.db2.gz ROZUEPKSVFPYDU-NEPJUHHUSA-N 1 1 261.325 0.675 50 0 CCAAMO Cn1cnnc1CCNC(=O)[C@H]1CCCCC[N@H+]1C ZINC000065403276 348713742 /nfs/dbraw/zinc/71/37/42/348713742.db2.gz GCYZQSBZHWZVSJ-LLVKDONJSA-N 1 1 265.361 0.348 50 0 CCAAMO O=C(NCc1ccccn1)c1cc2n(n1)CC[NH2+]C2 ZINC000067774799 348784848 /nfs/dbraw/zinc/78/48/48/348784848.db2.gz SUFWLJSOMFVBDH-UHFFFAOYSA-N 1 1 257.297 0.311 50 0 CCAAMO COc1ccc2[nH]c(CNC(=O)[C@@H]3C[C@@H](N)C[NH2+]3)cc2c1 ZINC000067805600 348785792 /nfs/dbraw/zinc/78/57/92/348785792.db2.gz XGXDZGXKBZHABU-YGRLFVJLSA-N 1 1 288.351 0.482 50 0 CCAAMO CC[N@H+]1CCC[C@@H](CNC(=O)c2cccc(=O)[nH]2)C1 ZINC000067855076 348787456 /nfs/dbraw/zinc/78/74/56/348787456.db2.gz ABXCDZZWBYYGQX-NSHDSACASA-N 1 1 263.341 0.837 50 0 CCAAMO COCCN(Cc1cccs1)C(=O)[C@@H]1C[C@@H](N)C[NH2+]1 ZINC000067921139 348790385 /nfs/dbraw/zinc/79/03/85/348790385.db2.gz AIIIUIIUGNCXDA-PWSUYJOCSA-N 1 1 283.397 0.412 50 0 CCAAMO COCC[N@H+]1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000066892573 348759309 /nfs/dbraw/zinc/75/93/09/348759309.db2.gz FWMUEALWSRDUNP-GFCCVEGCSA-N 1 1 256.346 0.346 50 0 CCAAMO COCC[N@H+]1CC[C@@H](CNC(=O)c2cccnc2)C1 ZINC000068493098 348813115 /nfs/dbraw/zinc/81/31/15/348813115.db2.gz RAAXUJVBCNRLMK-LBPRGKRZSA-N 1 1 263.341 0.780 50 0 CCAAMO Cc1[nH+]ccn1-c1cc(CNC(=O)[C@@H]2CCC(=O)N2)ccn1 ZINC000069391548 348843470 /nfs/dbraw/zinc/84/34/70/348843470.db2.gz VRQLCKVGSPAKFU-LBPRGKRZSA-N 1 1 299.334 0.471 50 0 CCAAMO O=C(CN1CSCC1=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000069438398 348846015 /nfs/dbraw/zinc/84/60/15/348846015.db2.gz SLMFAOJFNOVTTG-JTQLQIEISA-N 1 1 283.397 0.120 50 0 CCAAMO O=C(C[N@@H+]1CCC[C@H]1Cn1cncn1)Nc1cccnc1 ZINC000069621700 348855980 /nfs/dbraw/zinc/85/59/80/348855980.db2.gz ILMZUMPSYASFNM-ZDUSSCGKSA-N 1 1 286.339 0.776 50 0 CCAAMO O=C(C[N@H+]1CCC[C@H]1Cn1cncn1)Nc1cccnc1 ZINC000069621700 348855984 /nfs/dbraw/zinc/85/59/84/348855984.db2.gz ILMZUMPSYASFNM-ZDUSSCGKSA-N 1 1 286.339 0.776 50 0 CCAAMO CCOCC[NH+]1CCN(CC(=O)Nc2nncs2)CC1 ZINC000069655621 348857322 /nfs/dbraw/zinc/85/73/22/348857322.db2.gz FHMUABFLOYEYAL-UHFFFAOYSA-N 1 1 299.400 0.131 50 0 CCAAMO C[C@@H](O)C[NH+]1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 ZINC000069814185 348862712 /nfs/dbraw/zinc/86/27/12/348862712.db2.gz XUZRUTSGVOVKAH-SECBINFHSA-N 1 1 271.748 0.807 50 0 CCAAMO CC[C@@H](O)C[NH+]1CCN(C(=O)c2ccc(OC)nc2)CC1 ZINC000069969068 348867636 /nfs/dbraw/zinc/86/76/36/348867636.db2.gz QTMMGCZKBLFQCF-CYBMUJFWSA-N 1 1 293.367 0.619 50 0 CCAAMO C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2C[C@@H]2c2cnn(C)c2)CC1 ZINC000070038124 348870012 /nfs/dbraw/zinc/87/00/12/348870012.db2.gz TZSHOUKSGKGLKB-IACUBPJLSA-N 1 1 292.383 0.049 50 0 CCAAMO CCNC(=O)NC(=O)COC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC000072294127 348920475 /nfs/dbraw/zinc/92/04/75/348920475.db2.gz JVJXOCWAPQZBBI-GFCCVEGCSA-N 1 1 299.371 0.496 50 0 CCAAMO CCNC(=O)NC(=O)C[N@@H+](C)[C@H]1C[C@@](C)(OC)C1(C)C ZINC000076152426 349071918 /nfs/dbraw/zinc/07/19/18/349071918.db2.gz YPUUVQHSAWHPFF-IINYFYTJSA-N 1 1 285.388 0.968 50 0 CCAAMO C[C@@H]1CN(C(=O)C2=COCC2)C[C@H]1[NH+]1CCOCC1 ZINC000076056118 349066634 /nfs/dbraw/zinc/06/66/34/349066634.db2.gz NPDWNYOZIAZJQU-DGCLKSJQSA-N 1 1 266.341 0.470 50 0 CCAAMO c1cnnc(NC[C@@H]2C[N@@H+](C[C@@H]3CCOC3)CCO2)c1 ZINC000078893471 349158718 /nfs/dbraw/zinc/15/87/18/349158718.db2.gz JUJWGPRFHCYFFI-QWHCGFSZSA-N 1 1 278.356 0.626 50 0 CCAAMO O=S1(=O)CC[C@H](Nc2[nH+]cnc3[nH]ccc32)C1 ZINC000082359021 349299060 /nfs/dbraw/zinc/29/90/60/349299060.db2.gz LYQNWRPWUHIGIV-ZETCQYMHSA-N 1 1 252.299 0.557 50 0 CCAAMO O=C(C[N@H+]1CCC[C@H]1CO)NCC(=O)c1ccccc1 ZINC000081671336 349279427 /nfs/dbraw/zinc/27/94/27/349279427.db2.gz GBUHQHKOCLTNTO-ZDUSSCGKSA-N 1 1 276.336 0.442 50 0 CCAAMO O=C(C[N@@H+]1CCC[C@H]1CO)NCC(=O)c1ccccc1 ZINC000081671336 349279431 /nfs/dbraw/zinc/27/94/31/349279431.db2.gz GBUHQHKOCLTNTO-ZDUSSCGKSA-N 1 1 276.336 0.442 50 0 CCAAMO C[C@@H]1CN(S(=O)(=O)c2c[nH]c3ncccc23)CC[NH2+]1 ZINC000088059496 349355895 /nfs/dbraw/zinc/35/58/95/349355895.db2.gz SYDQTGZEIILFOH-SECBINFHSA-N 1 1 280.353 0.545 50 0 CCAAMO OCC[NH+]1CCN(Cc2cccc3c2OCO3)CC1 ZINC000089774321 349406809 /nfs/dbraw/zinc/40/68/09/349406809.db2.gz NORWAKRHMYMPEI-UHFFFAOYSA-N 1 1 264.325 0.525 50 0 CCAAMO CC[N@H+]1CC[C@@H](CNC(=O)N[C@@H](C)Cn2cccn2)C1 ZINC000089977178 349417741 /nfs/dbraw/zinc/41/77/41/349417741.db2.gz VQVYIFYZEBCVFV-STQMWFEESA-N 1 1 279.388 0.913 50 0 CCAAMO CC[C@H]1CN(C(=O)c2csc(C[NH3+])n2)CCO1 ZINC000090930243 180064218 /nfs/dbraw/zinc/06/42/18/180064218.db2.gz HKXMAYWZEBOQIF-QMMMGPOBSA-N 1 1 255.343 0.853 50 0 CCAAMO COCc1noc(C[N@@H+]2CC[C@]3(C2)CCCN(C)C3=O)n1 ZINC000091270605 180117805 /nfs/dbraw/zinc/11/78/05/180117805.db2.gz XSZQOHYMQKDBPA-AWEZNQCLSA-N 1 1 294.355 0.660 50 0 CCAAMO COCc1noc(C[N@H+]2CC[C@]3(C2)CCCN(C)C3=O)n1 ZINC000091270605 180117807 /nfs/dbraw/zinc/11/78/07/180117807.db2.gz XSZQOHYMQKDBPA-AWEZNQCLSA-N 1 1 294.355 0.660 50 0 CCAAMO Nc1ncccc1C[N@H+]1CC[C@@]2(C1)CCCNC2=O ZINC000091620837 180208821 /nfs/dbraw/zinc/20/88/21/180208821.db2.gz OEYDZBMJRKDVCP-CQSZACIVSA-N 1 1 260.341 0.766 50 0 CCAAMO C[N@@H+](CCO)C[C@@H]1CN(Cc2cccc(F)c2)C[C@@H]1CO ZINC000091793556 180257521 /nfs/dbraw/zinc/25/75/21/180257521.db2.gz GYODHWHZXJMNTJ-HUUCEWRRSA-N 1 1 296.386 0.790 50 0 CCAAMO COCc1noc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C(N)=O)n1 ZINC000131089177 350261427 /nfs/dbraw/zinc/26/14/27/350261427.db2.gz QTKBYEMQKUSUCP-LPEHRKFASA-N 1 1 282.344 0.911 50 0 CCAAMO Cc1ccc(C[N@H+]2C[C@H](CO)[C@H](CN(C)CCO)C2)cc1 ZINC000091907175 180284195 /nfs/dbraw/zinc/28/41/95/180284195.db2.gz CCHMDNXNNZTSJP-IAGOWNOFSA-N 1 1 292.423 0.959 50 0 CCAAMO Cc1ccc(CN2C[C@H](CO)[C@H](C[N@H+](C)CCO)C2)cc1 ZINC000091907175 180284205 /nfs/dbraw/zinc/28/42/05/180284205.db2.gz CCHMDNXNNZTSJP-IAGOWNOFSA-N 1 1 292.423 0.959 50 0 CCAAMO Cc1ccc(CN2C[C@H](CO)[C@H](C[N@@H+](C)CCO)C2)cc1 ZINC000091907175 180284208 /nfs/dbraw/zinc/28/42/08/180284208.db2.gz CCHMDNXNNZTSJP-IAGOWNOFSA-N 1 1 292.423 0.959 50 0 CCAAMO C[C@H](CNC(=O)CCn1cncn1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000106560037 186127015 /nfs/dbraw/zinc/12/70/15/186127015.db2.gz ZJUJSSNDXWHVQN-JHJVBQTASA-N 1 1 295.387 0.282 50 0 CCAAMO CC[C@@H]1CN(Cc2nnnn2C2CC2)CC[N@H+]1C[C@H](C)O ZINC000106906794 186150002 /nfs/dbraw/zinc/15/00/02/186150002.db2.gz HALMXEZRHVYZOL-NWDGAFQWSA-N 1 1 294.403 0.285 50 0 CCAAMO Cc1nc(S(=O)(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cn1C ZINC000106911718 186150210 /nfs/dbraw/zinc/15/02/10/186150210.db2.gz HGSYRPHAVLMIDV-ZYHUDNBSSA-N 1 1 298.412 0.586 50 0 CCAAMO NC(=O)CN1CC[N@H+](Cc2cccs2)[C@H](CCO)C1 ZINC000106944162 186154538 /nfs/dbraw/zinc/15/45/38/186154538.db2.gz OTKBWHYVJIJABH-LLVKDONJSA-N 1 1 283.397 0.102 50 0 CCAAMO NC(=O)CN1CC[N@@H+](Cc2cccs2)[C@H](CCO)C1 ZINC000106944162 186154540 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349646314 /nfs/dbraw/zinc/64/63/14/349646314.db2.gz GWRJOASBHOSVRO-ZDUSSCGKSA-N 1 1 261.325 0.862 50 0 CCAAMO C[N@H+](Cc1cc(-c2ccccc2)n[nH]1)C[C@H](O)CO ZINC000097694845 349646315 /nfs/dbraw/zinc/64/63/15/349646315.db2.gz GWRJOASBHOSVRO-ZDUSSCGKSA-N 1 1 261.325 0.862 50 0 CCAAMO CCNS(=O)(=O)c1ccc(N2CC[NH+](C)CC2)nc1 ZINC000003045456 136393749 /nfs/dbraw/zinc/39/37/49/136393749.db2.gz VKSFPOXEASNWNQ-UHFFFAOYSA-N 1 1 284.385 0.132 50 0 CCAAMO Cc1ccc(NCCCNC(=O)[C@H]2CCC(=O)N2)[nH+]c1 ZINC000085383073 179045826 /nfs/dbraw/zinc/04/58/26/179045826.db2.gz GWXWUPWLXIHFLL-LLVKDONJSA-N 1 1 276.340 0.587 50 0 CCAAMO COC(=O)c1sccc1S(=O)(=O)N1CC[NH2+]CC1 ZINC000012651965 348020415 /nfs/dbraw/zinc/02/04/15/348020415.db2.gz OXJRZGREVONVSQ-UHFFFAOYSA-N 1 1 290.366 0.129 50 0 CCAAMO C[N@H+]1CCCN([C@@H]2CC(=O)N(c3ccccc3)C2=O)CC1 ZINC000019830968 348070786 /nfs/dbraw/zinc/07/07/86/348070786.db2.gz NGANAPMADUZCKP-CQSZACIVSA-N 1 1 287.363 0.956 50 0 CCAAMO C[C@@H]1CCC[N@@H+](CC(=O)N2CCC(C(N)=O)CC2)C1 ZINC000030921168 348121972 /nfs/dbraw/zinc/12/19/72/348121972.db2.gz RZEXAVIIVGBYAN-LLVKDONJSA-N 1 1 267.373 0.442 50 0 CCAAMO O=C(NCC[N@H+]1CCc2ccccc2C1)c1ccc(=O)[nH]n1 ZINC000031337257 348124575 /nfs/dbraw/zinc/12/45/75/348124575.db2.gz NAUAFBWPPPEMPH-UHFFFAOYSA-N 1 1 298.346 0.970 50 0 CCAAMO COc1ccc(CC(=O)N2CC[NH+](CCO)CC2)cc1F ZINC000035116045 348156923 /nfs/dbraw/zinc/15/69/23/348156923.db2.gz PWSKZWZNZBVPLP-UHFFFAOYSA-N 1 1 296.342 0.513 50 0 CCAAMO CS(=O)(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000040614261 348239609 /nfs/dbraw/zinc/23/96/09/348239609.db2.gz AGNVCYCSRGCOON-JTQLQIEISA-N 1 1 258.343 0.966 50 0 CCAAMO Cc1cc(CN2CC[N@H+](C(C)C)[C@H](CCO)C2)[nH]n1 ZINC000039455179 348229652 /nfs/dbraw/zinc/22/96/52/348229652.db2.gz XXCOHFAVFDAFDF-CQSZACIVSA-N 1 1 266.389 0.995 50 0 CCAAMO Cc1cc(CN2CC[N@@H+](C(C)C)[C@H](CCO)C2)n[nH]1 ZINC000039455179 348229654 /nfs/dbraw/zinc/22/96/54/348229654.db2.gz XXCOHFAVFDAFDF-CQSZACIVSA-N 1 1 266.389 0.995 50 0 CCAAMO Cc1cc(CN2CC[N@H+](C(C)C)[C@H](CCO)C2)n[nH]1 ZINC000039455179 348229656 /nfs/dbraw/zinc/22/96/56/348229656.db2.gz XXCOHFAVFDAFDF-CQSZACIVSA-N 1 1 266.389 0.995 50 0 CCAAMO C[N@H+](CCOc1cccc(F)c1)CC(=O)N1CCNC1=O ZINC000053186208 348522424 /nfs/dbraw/zinc/52/24/24/348522424.db2.gz MFSKHLUWGCJQEM-UHFFFAOYSA-N 1 1 295.314 0.688 50 0 CCAAMO C[N@@H+](CCOc1cccc(F)c1)CC(=O)N1CCNC1=O ZINC000053186208 348522425 /nfs/dbraw/zinc/52/24/25/348522425.db2.gz MFSKHLUWGCJQEM-UHFFFAOYSA-N 1 1 295.314 0.688 50 0 CCAAMO Cc1noc(C)c1-n1c(=O)[nH]nc1[C@@H]1CCC[N@@H+](C)C1 ZINC000065417760 348715239 /nfs/dbraw/zinc/71/52/39/348715239.db2.gz KYUNPNNCCMKSEQ-SNVBAGLBSA-N 1 1 277.328 0.975 50 0 CCAAMO Cc1noc(C)c1-n1c(=O)[nH]nc1[C@@H]1CCC[N@H+](C)C1 ZINC000065417760 348715241 /nfs/dbraw/zinc/71/52/41/348715241.db2.gz KYUNPNNCCMKSEQ-SNVBAGLBSA-N 1 1 277.328 0.975 50 0 CCAAMO Cc1c[nH+]c(NCCCc2nn[nH]n2)nc1N(C)C ZINC000065508062 348719728 /nfs/dbraw/zinc/71/97/28/348719728.db2.gz JLWFVVWVAIBVNA-UHFFFAOYSA-N 1 1 262.321 0.409 50 0 CCAAMO C[N@H+](Cc1ccccc1-n1cccn1)C[C@@H](O)CO ZINC000065491466 348719839 /nfs/dbraw/zinc/71/98/39/348719839.db2.gz GHQWSHZJUHRJBJ-CYBMUJFWSA-N 1 1 261.325 0.657 50 0 CCAAMO c1nc2c([nH]1)[C@H](c1cnc(N3CCOCC3)nc1)[NH2+]CC2 ZINC000067934986 348791521 /nfs/dbraw/zinc/79/15/21/348791521.db2.gz DURDPCMHAYSHKK-LBPRGKRZSA-N 1 1 286.339 0.271 50 0 CCAAMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)c2cc[nH]c2)C1 ZINC000068333338 348807276 /nfs/dbraw/zinc/80/72/76/348807276.db2.gz PPYQUYYXAALQNX-GFCCVEGCSA-N 1 1 278.356 0.332 50 0 CCAAMO c1ccc(-n2nnnc2CCC[NH+]2CCOCC2)cc1 ZINC000069370790 348842632 /nfs/dbraw/zinc/84/26/32/348842632.db2.gz VNZYKCHSQSOHFD-UHFFFAOYSA-N 1 1 273.340 0.927 50 0 CCAAMO Cc1[nH+]ccn1-c1cc(CNC(=O)[C@H]2CCC(=O)N2)ccn1 ZINC000069391554 348843700 /nfs/dbraw/zinc/84/37/00/348843700.db2.gz VRQLCKVGSPAKFU-GFCCVEGCSA-N 1 1 299.334 0.471 50 0 CCAAMO CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](C2OCCO2)C1 ZINC000069421085 348844918 /nfs/dbraw/zinc/84/49/18/348844918.db2.gz SUGWMSIEYPCKIV-QWRGUYRKSA-N 1 1 299.371 0.306 50 0 CCAAMO CCCCn1nnnc1C[NH2+][C@@H]1CCc2ncnn2C1 ZINC000069620751 348855165 /nfs/dbraw/zinc/85/51/65/348855165.db2.gz ASOJSFVTNIJISG-SNVBAGLBSA-N 1 1 276.348 0.169 50 0 CCAAMO NS(=O)(=O)NC[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000069652720 348856590 /nfs/dbraw/zinc/85/65/90/348856590.db2.gz YFHDDTUBSPGPJW-AWEZNQCLSA-N 1 1 297.424 0.734 50 0 CCAAMO O=C(CN1CC[NH+](CCO)CC1)NCCc1ccsc1 ZINC000069666937 348857398 /nfs/dbraw/zinc/85/73/98/348857398.db2.gz ZKUVIUYVKAKBLW-UHFFFAOYSA-N 1 1 297.424 0.017 50 0 CCAAMO C[C@@H](C(=O)NC(N)=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000069660472 348857490 /nfs/dbraw/zinc/85/74/90/348857490.db2.gz GRBNOIOIHHTJFJ-NSHDSACASA-N 1 1 282.388 0.378 50 0 CCAAMO Cn1cc(C[N@H+]2CCC[C@H](Cn3cncn3)C2)cn1 ZINC000069662640 348857766 /nfs/dbraw/zinc/85/77/66/348857766.db2.gz MXBOIXQSQRTCQQ-LBPRGKRZSA-N 1 1 260.345 0.924 50 0 CCAAMO CCOCC[N@H+]1CCN([C@@H]2CCOC2=O)C[C@H]1CC ZINC000069819209 348862519 /nfs/dbraw/zinc/86/25/19/348862519.db2.gz WQVPUQWRHAFZTK-CHWSQXEVSA-N 1 1 270.373 0.735 50 0 CCAAMO C[C@@H]1C[N@@H+](CCCO)CCN1Cc1nccn1C ZINC000072267411 348917496 /nfs/dbraw/zinc/91/74/96/348917496.db2.gz NASPXJICANGURO-GFCCVEGCSA-N 1 1 252.362 0.309 50 0 CCAAMO C[C@@H]1C[C@@H](NS(N)(=O)=O)CC[N@H+]1Cc1ccccc1 ZINC000080275879 349206967 /nfs/dbraw/zinc/20/69/67/349206967.db2.gz UDNYGHPUBAXJLE-YPMHNXCESA-N 1 1 283.397 0.833 50 0 CCAAMO CC(C)N1C(=O)N[C@@]2(CC[N@@H+](CCn3cccn3)C2)C1=O ZINC000084597383 349323715 /nfs/dbraw/zinc/32/37/15/349323715.db2.gz LFJJPPZQLZDQOU-CQSZACIVSA-N 1 1 291.355 0.288 50 0 CCAAMO COCCS(=O)(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000084714563 349325583 /nfs/dbraw/zinc/32/55/83/349325583.db2.gz OIIJCDALQUOXND-QWRGUYRKSA-N 1 1 264.391 0.281 50 0 CCAAMO COCc1ccc(CNC(=O)C[N@H+]2CC[C@@H](CO)C2)cc1 ZINC000089420329 349386287 /nfs/dbraw/zinc/38/62/87/349386287.db2.gz BYYJDUPJQUIQQW-OAHLLOKOSA-N 1 1 292.379 0.763 50 0 CCAAMO CCc1[nH+]ccn1CCNC(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC000091468421 180164823 /nfs/dbraw/zinc/16/48/23/180164823.db2.gz MHKRAQFVWPGRCA-NSHDSACASA-N 1 1 290.367 0.573 50 0 CCAAMO Cc1cccc([C@@H](C(=O)NCC(=O)NC2CC2)[NH+](C)C)c1 ZINC000091650540 180216160 /nfs/dbraw/zinc/21/61/60/180216160.db2.gz DOTSFRUSQIMULI-HNNXBMFYSA-N 1 1 289.379 0.993 50 0 CCAAMO O=C(NCCC[NH+]1CCOCC1)c1ccncc1F ZINC000130611006 350242181 /nfs/dbraw/zinc/24/21/81/350242181.db2.gz GSRQFEOZGQCKIM-UHFFFAOYSA-N 1 1 267.304 0.673 50 0 CCAAMO COc1ccc(C(=O)CNC(=O)C[NH+](C)C)cc1 ZINC000131777980 350287004 /nfs/dbraw/zinc/28/70/04/350287004.db2.gz SQJQDQUPAJWCEX-UHFFFAOYSA-N 1 1 250.298 0.556 50 0 CCAAMO CC(=O)N1CC[N@H+](Cc2ncccc2C)C[C@H](O)C1 ZINC000092045584 180310853 /nfs/dbraw/zinc/31/08/53/180310853.db2.gz XFOCSXWWKRIEIO-ZDUSSCGKSA-N 1 1 263.341 0.415 50 0 CCAAMO CC(=O)N1CC[N@@H+](Cc2ncccc2C)C[C@H](O)C1 ZINC000092045584 180310854 /nfs/dbraw/zinc/31/08/54/180310854.db2.gz XFOCSXWWKRIEIO-ZDUSSCGKSA-N 1 1 263.341 0.415 50 0 CCAAMO CNC(=O)C[N@H+]1CCC[C@@](CO)(CCCOC)C1 ZINC000092077235 180317799 /nfs/dbraw/zinc/31/77/99/180317799.db2.gz OTNFPJJCCYYPEI-CYBMUJFWSA-N 1 1 258.362 0.234 50 0 CCAAMO Cc1nonc1C[N@H+]1CC[C@]2(C1)CCCNC2=O ZINC000092080857 180319771 /nfs/dbraw/zinc/31/97/71/180319771.db2.gz LMTXPCXSFQZZAA-LBPRGKRZSA-N 1 1 250.302 0.480 50 0 CCAAMO CCOC(=O)[C@H]1CCC[N@@H+]([C@H](C)C(=O)NC(=O)NC)C1 ZINC000110519196 186301156 /nfs/dbraw/zinc/30/11/56/186301156.db2.gz JNAGOTPMBOYJTN-ZJUUUORDSA-N 1 1 285.344 0.106 50 0 CCAAMO CCOC(=O)[C@H]1CCC[N@H+]([C@H](C)C(=O)NC(=O)NC)C1 ZINC000110519196 186301158 /nfs/dbraw/zinc/30/11/58/186301158.db2.gz JNAGOTPMBOYJTN-ZJUUUORDSA-N 1 1 285.344 0.106 50 0 CCAAMO C[C@@H](C(=O)NCc1cccs1)[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000186486524 351498526 /nfs/dbraw/zinc/49/85/26/351498526.db2.gz RGMVLDCTMIIDBH-DCAQKATOSA-N 1 1 284.381 0.180 50 0 CCAAMO C[C@@H](C(=O)NCc1cccs1)[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000186486524 351498527 /nfs/dbraw/zinc/49/85/27/351498527.db2.gz RGMVLDCTMIIDBH-DCAQKATOSA-N 1 1 284.381 0.180 50 0 CCAAMO COc1ccsc1S(=O)(=O)N1CC[NH2+]C[C@H]1C ZINC000193356887 351824971 /nfs/dbraw/zinc/82/49/71/351824971.db2.gz JWLVHTAZDTVGCG-MRVPVSSYSA-N 1 1 276.383 0.739 50 0 CCAAMO C[C@H]1C[C@@H](CNS(N)(=O)=O)C[N@H+]1Cc1ccccc1 ZINC000122115341 187016012 /nfs/dbraw/zinc/01/60/12/187016012.db2.gz PMPPOLPUODHVJS-AAEUAGOBSA-N 1 1 283.397 0.690 50 0 CCAAMO CN(C)c1ccc(C[N@@H+](C)C[C@@H]2COCCO2)cn1 ZINC000215761805 351937997 /nfs/dbraw/zinc/93/79/97/351937997.db2.gz PGEAWPRGVLRIFA-CYBMUJFWSA-N 1 1 265.357 0.995 50 0 CCAAMO CCOCC[C@H](O)C[NH+]1CCN(C[C@@H](O)CC)CC1 ZINC000225530087 352008085 /nfs/dbraw/zinc/00/80/85/352008085.db2.gz QGYFNUCDPODDMJ-KBPBESRZSA-N 1 1 274.405 0.162 50 0 CCAAMO CCc1ccccc1NC(=O)C[N@@H+]1CC[C@](O)(C(N)=O)C1 ZINC000225572602 352009188 /nfs/dbraw/zinc/00/91/88/352009188.db2.gz FPBDRWBEPFSBHA-OAHLLOKOSA-N 1 1 291.351 0.110 50 0 CCAAMO CCc1ccccc1NC(=O)C[N@H+]1CC[C@](O)(C(N)=O)C1 ZINC000225572602 352009192 /nfs/dbraw/zinc/00/91/92/352009192.db2.gz FPBDRWBEPFSBHA-OAHLLOKOSA-N 1 1 291.351 0.110 50 0 CCAAMO C[NH+](C)[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)C(=O)c1ccco1 ZINC000220182774 351971232 /nfs/dbraw/zinc/97/12/32/351971232.db2.gz CZQWUDZDDSADBH-IHXVIFPJSA-N 1 1 278.308 0.296 50 0 CCAAMO CCOCC(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1O ZINC000244900167 352315448 /nfs/dbraw/zinc/31/54/48/352315448.db2.gz ZXIZYSACXQLVSE-ZIAGYGMSSA-N 1 1 293.367 0.170 50 0 CCAAMO CCOCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1O ZINC000244900167 352315451 /nfs/dbraw/zinc/31/54/51/352315451.db2.gz ZXIZYSACXQLVSE-ZIAGYGMSSA-N 1 1 293.367 0.170 50 0 CCAAMO CC[N@H+](CCOC)[C@@H](C)C(=O)Nc1nncs1 ZINC000244899910 352315655 /nfs/dbraw/zinc/31/56/55/352315655.db2.gz ZSQZOWVKRWPZKW-QMMMGPOBSA-N 1 1 258.347 0.833 50 0 CCAAMO CC[N@@H+](CCOC)[C@@H](C)C(=O)Nc1nncs1 ZINC000244899910 352315658 /nfs/dbraw/zinc/31/56/58/352315658.db2.gz ZSQZOWVKRWPZKW-QMMMGPOBSA-N 1 1 258.347 0.833 50 0 CCAAMO CCOC[C@H](O)C[N@H+]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000241961398 352306347 /nfs/dbraw/zinc/30/63/47/352306347.db2.gz 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/nfs/dbraw/zinc/42/61/15/352426115.db2.gz ZNYVFGSXNQNIIN-QLFBSQMISA-N 1 1 277.412 0.929 50 0 CCAAMO CC(=O)N1CCN([C@@H]2C[N@@H+](Cc3ccon3)C[C@H]2C)CC1 ZINC000257366407 352553722 /nfs/dbraw/zinc/55/37/22/352553722.db2.gz WQERPINFKDEQJT-IUODEOHRSA-N 1 1 292.383 0.659 50 0 CCAAMO CC(=O)N1CCN([C@@H]2C[N@H+](Cc3ccon3)C[C@H]2C)CC1 ZINC000257366407 352553725 /nfs/dbraw/zinc/55/37/25/352553725.db2.gz WQERPINFKDEQJT-IUODEOHRSA-N 1 1 292.383 0.659 50 0 CCAAMO CC(=O)N1CC[NH+]([C@@H]2CN(Cc3ccon3)C[C@H]2C)CC1 ZINC000257366407 352553727 /nfs/dbraw/zinc/55/37/27/352553727.db2.gz WQERPINFKDEQJT-IUODEOHRSA-N 1 1 292.383 0.659 50 0 CCAAMO C[NH+](C)CCNC(=O)C1(S(=O)(=O)c2ccccc2)CC1 ZINC000299763764 354048831 /nfs/dbraw/zinc/04/88/31/354048831.db2.gz RHXIWRNAPKGMBC-UHFFFAOYSA-N 1 1 296.392 0.671 50 0 CCAAMO CC(C)(C)c1cc(CNC(=O)C[N@@H+]2CCC[C@H](O)C2)[nH]n1 ZINC000299765525 354048858 /nfs/dbraw/zinc/04/88/58/354048858.db2.gz HSYIVGDQVHDELZ-LBPRGKRZSA-N 1 1 294.399 0.780 50 0 CCAAMO CC(C)(C)c1cc(CNC(=O)C[N@H+]2CCC[C@H](O)C2)[nH]n1 ZINC000299765525 354048861 /nfs/dbraw/zinc/04/88/61/354048861.db2.gz HSYIVGDQVHDELZ-LBPRGKRZSA-N 1 1 294.399 0.780 50 0 CCAAMO O=C(CC[N@H+]1CC[C@H]2OCc3cnnn3[C@H]2C1)NC1CC1 ZINC000299792307 354053443 /nfs/dbraw/zinc/05/34/43/354053443.db2.gz DOQZJSXCMXLLNZ-QWHCGFSZSA-N 1 1 291.355 0.092 50 0 CCAAMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NS(=O)(=O)N1CCCCC1 ZINC000330122951 354296729 /nfs/dbraw/zinc/29/67/29/354296729.db2.gz BZDPFQXJFVHRJM-WCQYABFASA-N 1 1 287.429 0.789 50 0 CCAAMO C[N@@H+]1CC[C@@]23c4c5c(O)ccc4C(=O)[C@@H]1[C@@H]2C=C[C@H](O)[C@@H]3O5 ZINC000022065588 283108015 /nfs/dbraw/zinc/10/80/15/283108015.db2.gz HNJBQZPKNKFLFM-CBEJNMEVSA-N 1 1 299.326 0.838 50 0 CCAAMO C[N@H+]1CC[C@@]23c4c5c(O)ccc4C(=O)[C@@H]1[C@@H]2C=C[C@H](O)[C@@H]3O5 ZINC000022065588 283108017 /nfs/dbraw/zinc/10/80/17/283108017.db2.gz HNJBQZPKNKFLFM-CBEJNMEVSA-N 1 1 299.326 0.838 50 0 CCAAMO C[N@@H+]1CCN(C(=O)C2(Cn3ccnc3)CC2)C[C@@H]1CCO ZINC000584890281 359230607 /nfs/dbraw/zinc/23/06/07/359230607.db2.gz UZRAKKATQLKWQK-ZDUSSCGKSA-N 1 1 292.383 0.188 50 0 CCAAMO C[N@H+]1CCN(C(=O)C2(Cn3ccnc3)CC2)C[C@@H]1CCO ZINC000584890281 359230610 /nfs/dbraw/zinc/23/06/10/359230610.db2.gz UZRAKKATQLKWQK-ZDUSSCGKSA-N 1 1 292.383 0.188 50 0 CCAAMO C[N@H+]1CCC[C@H](CCNc2cncc(C(N)=O)n2)C1 ZINC000584893736 359234014 /nfs/dbraw/zinc/23/40/14/359234014.db2.gz YSYWESKRJKBKRH-SNVBAGLBSA-N 1 1 263.345 0.719 50 0 CCAAMO CN(C)C1(CNC(=O)c2cn[nH]c2)CC[NH+](C)CC1 ZINC000584894301 359234116 /nfs/dbraw/zinc/23/41/16/359234116.db2.gz KKSWGTFLWDYNCS-UHFFFAOYSA-N 1 1 265.361 0.166 50 0 CCAAMO CN(C[C@@H]1CCC[N@@H+](CCO)C1)C(=O)c1cncnc1 ZINC000584893733 359234188 /nfs/dbraw/zinc/23/41/88/359234188.db2.gz JEVQKPKWLNHDLZ-LBPRGKRZSA-N 1 1 278.356 0.253 50 0 CCAAMO CC[N@H+]1CCCN(C(=O)[C@@H]2CSC(C)(C)C(=O)N2)CC1 ZINC000584897666 359238503 /nfs/dbraw/zinc/23/85/03/359238503.db2.gz FTTZPRHSHBJUFH-NSHDSACASA-N 1 1 299.440 0.551 50 0 CCAAMO CN(C[C@H]1CCC[N@H+](CCO)C1)C(=O)CN1CCCC1 ZINC000584898265 359239120 /nfs/dbraw/zinc/23/91/20/359239120.db2.gz QKEZQTXWDVRPKX-CQSZACIVSA-N 1 1 283.416 0.245 50 0 CCAAMO CN(C[C@H]1CCC[N@@H+](CCO)C1)C(=O)CN1CCCC1 ZINC000584898265 359239124 /nfs/dbraw/zinc/23/91/24/359239124.db2.gz QKEZQTXWDVRPKX-CQSZACIVSA-N 1 1 283.416 0.245 50 0 CCAAMO CC(C)[N@H+]1CC[C@@H](CNC(=O)CCS(C)(=O)=O)C1 ZINC000623485644 367573617 /nfs/dbraw/zinc/57/36/17/367573617.db2.gz QWXJBVJVGZWAOH-NSHDSACASA-N 1 1 276.402 0.268 50 0 CCAAMO O=C(N[C@H]1CCOc2ccccc21)[C@@H]1COCC[NH2+]1 ZINC000088358878 284215887 /nfs/dbraw/zinc/21/58/87/284215887.db2.gz OKXXBHLFJMQAPC-RYUDHWBXSA-N 1 1 262.309 0.615 50 0 CCAAMO Cc1[nH+]ccn1CCCN1CCN(S(C)(=O)=O)CC1 ZINC000244602046 189907600 /nfs/dbraw/zinc/90/76/00/189907600.db2.gz DWTDAUYMOCXXHH-UHFFFAOYSA-N 1 1 286.401 0.159 50 0 CCAAMO O[C@@H](Cn1cccn1)C[N@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000247751305 285308194 /nfs/dbraw/zinc/30/81/94/285308194.db2.gz AWOHLRJBHMHKEK-MCIONIFRSA-N 1 1 265.357 0.887 50 0 CCAAMO CC(C)(C)n1nnnc1CN1CC[N@H+]2CCC[C@@H]2C1 ZINC000020098546 388794452 /nfs/dbraw/zinc/79/44/52/388794452.db2.gz DJRGZYISUAXTOK-LLVKDONJSA-N 1 1 264.377 0.708 50 0 CCAAMO CCn1ncc(CN2CC[N@@H+](C)[C@@H](CCO)C2)c1C ZINC000023128641 388801320 /nfs/dbraw/zinc/80/13/20/388801320.db2.gz DWKRTDRQBMPCHZ-AWEZNQCLSA-N 1 1 266.389 0.710 50 0 CCAAMO CNC(=O)C[NH+]1CCC(NC(=O)c2cccs2)CC1 ZINC000025227485 388813046 /nfs/dbraw/zinc/81/30/46/388813046.db2.gz PIBYJXXXLRJGOQ-UHFFFAOYSA-N 1 1 281.381 0.688 50 0 CCAAMO CC[C@@]1(O)CCN(c2cc(N)[nH+]c(SC)n2)C[C@H]1O ZINC000072420104 388962721 /nfs/dbraw/zinc/96/27/21/388962721.db2.gz PEPFIJRARLBSHY-PRHODGIISA-N 1 1 284.385 0.493 50 0 CCAAMO CC[C@@]1(O)CCN(c2cc(N)nc(SC)[nH+]2)C[C@H]1O ZINC000072420104 388962722 /nfs/dbraw/zinc/96/27/22/388962722.db2.gz PEPFIJRARLBSHY-PRHODGIISA-N 1 1 284.385 0.493 50 0 CCAAMO O=C(NC[C@H]1CC[N@H+](C(CO)CO)C1)NC1CCCCC1 ZINC000067675829 388947262 /nfs/dbraw/zinc/94/72/62/388947262.db2.gz CDBDPWVERVEBBW-GFCCVEGCSA-N 1 1 299.415 0.293 50 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298.350 0.583 50 0 CCAAMO CSC[C@@H](C)[N@@H+](C)CCN1CCCS1(=O)=O ZINC000095431393 389041853 /nfs/dbraw/zinc/04/18/53/389041853.db2.gz QOZGFZOAAQKAKU-SNVBAGLBSA-N 1 1 266.432 0.705 50 0 CCAAMO Cc1n[nH]c(C)c1CC[N@H+](C)[C@@H](C)C(=O)N(C)C ZINC000299775534 389042909 /nfs/dbraw/zinc/04/29/09/389042909.db2.gz JXWVUDZXMNKCJU-NSHDSACASA-N 1 1 252.362 0.978 50 0 CCAAMO CNC(=O)CC[N@H+]1CCO[C@@H]2CC[C@H](OC)C[C@H]21 ZINC000110693951 389101988 /nfs/dbraw/zinc/10/19/88/389101988.db2.gz WBFWSECKUOYFCO-QJPTWQEYSA-N 1 1 256.346 0.391 50 0 CCAAMO C[C@H](CO)[N@@H+](CCN1CCNC1=O)C1CCCC1 ZINC000329653217 389182709 /nfs/dbraw/zinc/18/27/09/389182709.db2.gz LJECIMIPMUTKBP-LLVKDONJSA-N 1 1 255.362 0.841 50 0 CCAAMO CCCC[C@@H](NC(N)=O)C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000239653723 389201231 /nfs/dbraw/zinc/20/12/31/389201231.db2.gz BKXQIFXVQUBXDU-GHMZBOCLSA-N 1 1 270.377 0.376 50 0 CCAAMO CCCC[C@@H](NC(N)=O)C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000239653723 389201233 /nfs/dbraw/zinc/20/12/33/389201233.db2.gz 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390843367 /nfs/dbraw/zinc/84/33/67/390843367.db2.gz JWJNSGZQJOFZEL-UHFFFAOYSA-N 1 1 276.300 0.108 50 0 CCAAMO N[C@@H]1CCC[NH2+][C@@H]1[C@@H]1CC[C@@H](C(F)(F)F)NC1 ZINC000757216168 581699091 /nfs/dbraw/zinc/69/90/91/581699091.db2.gz YFGVXXOHRSIJNX-DOLQZWNJSA-N 1 1 251.296 0.996 50 0 CCAAMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)[C@H](C)COC ZINC000247224467 287231069 /nfs/dbraw/zinc/23/10/69/287231069.db2.gz WLONJBREIFQYTG-UPJWGTAASA-N 1 1 290.429 0.910 50 0 CCAAMO Nc1nc(NCc2ccccn2)cc([C@@H]2CCOC2)[nH+]1 ZINC000426477161 411819135 /nfs/dbraw/zinc/81/91/35/411819135.db2.gz FSCGINYIVSKTOV-SNVBAGLBSA-N 1 1 271.324 0.992 50 0 CCAAMO CC[NH+]1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000020166904 171040869 /nfs/dbraw/zinc/04/08/69/171040869.db2.gz DCGYESKXJMGUGW-AWEZNQCLSA-N 1 1 276.336 0.991 50 0 CCAAMO CN(C[C@H]1CCCC[N@H+]1C)C(=O)c1cc[n+]([O-])cc1 ZINC000020785223 171272707 /nfs/dbraw/zinc/27/27/07/171272707.db2.gz KNNKIIGDCBWDJD-CYBMUJFWSA-N 1 1 263.341 0.876 50 0 CCAAMO O=C(C[N@@H+](C[C@H]1CCOC1)C1CC1)NC(=O)NC1CC1 ZINC000040528301 174315430 /nfs/dbraw/zinc/31/54/30/174315430.db2.gz NCGCNHMMIZYBIF-SNVBAGLBSA-N 1 1 281.356 0.476 50 0 CCAAMO NC(=O)C[NH+]1CCC(NC(=O)[C@H]2CC=CCC2)CC1 ZINC000044896783 175274227 /nfs/dbraw/zinc/27/42/27/175274227.db2.gz KYMCKPYYBVSGIK-NSHDSACASA-N 1 1 265.357 0.409 50 0 CCAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)Cn1ccccc1=O ZINC000046858223 175399550 /nfs/dbraw/zinc/39/95/50/175399550.db2.gz IWBVZZBSPZZNON-ZDUSSCGKSA-N 1 1 277.368 0.839 50 0 CCAAMO O=C(Cc1cccc(O)c1)NCCC[NH+]1CCOCC1 ZINC000048815999 175450356 /nfs/dbraw/zinc/45/03/56/175450356.db2.gz NDBAAJMKHFYILN-UHFFFAOYSA-N 1 1 278.352 0.773 50 0 CCAAMO C[C@H](O)C[NH+]1CCN(C(=O)c2cccnc2N(C)C)CC1 ZINC000069655590 175845164 /nfs/dbraw/zinc/84/51/64/175845164.db2.gz ZKNPBLOIUPCCGQ-LBPRGKRZSA-N 1 1 292.383 0.286 50 0 CCAAMO CC(C)OC[C@H](O)C[N@H+]1CCCN(c2ncccn2)CC1 ZINC000071282567 176109207 /nfs/dbraw/zinc/10/92/07/176109207.db2.gz CLRLSYZLHRAUED-CQSZACIVSA-N 1 1 294.399 0.775 50 0 CCAAMO C[C@H](C1CC1)N(C(=O)CN1CC[NH+](CCO)CC1)C1CC1 ZINC000071810497 176267743 /nfs/dbraw/zinc/26/77/43/176267743.db2.gz BRPMCFKGCMRQON-CYBMUJFWSA-N 1 1 295.427 0.386 50 0 CCAAMO C[C@H](O)C[NH+]1CCN(C(=O)CCOCC(F)(F)F)CC1 ZINC000071871192 176283427 /nfs/dbraw/zinc/28/34/27/176283427.db2.gz XTTSNCJUJMGAEZ-JTQLQIEISA-N 1 1 298.305 0.480 50 0 CCAAMO COC1CC[NH+](CC(=O)NCc2cccnc2)CC1 ZINC000071893056 176291621 /nfs/dbraw/zinc/29/16/21/176291621.db2.gz KRAQWRMVRYDVOO-UHFFFAOYSA-N 1 1 263.341 0.809 50 0 CCAAMO O=C(C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1)NC1CCOCC1 ZINC000072235919 176345650 /nfs/dbraw/zinc/34/56/50/176345650.db2.gz DNPDGXITQFXANH-GFCCVEGCSA-N 1 1 292.383 0.884 50 0 CCAAMO O=C(C[N@H+]1CCC[C@@H](c2cc[nH]n2)C1)NC1CCOCC1 ZINC000072235919 176345651 /nfs/dbraw/zinc/34/56/51/176345651.db2.gz DNPDGXITQFXANH-GFCCVEGCSA-N 1 1 292.383 0.884 50 0 CCAAMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)C[C@@H]1CCCO1 ZINC000072282351 176358753 /nfs/dbraw/zinc/35/87/53/176358753.db2.gz 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ZINC000825262135 821651263 /nfs/dbraw/zinc/65/12/63/821651263.db2.gz LEGAAJMYWGMVSB-NSHDSACASA-N 1 1 261.333 0.584 50 0 CCAAMO Cc1n[nH]c([C@H]2CCC[N@@H+](CCn3cnnc3)C2)n1 ZINC000825262135 821651265 /nfs/dbraw/zinc/65/12/65/821651265.db2.gz LEGAAJMYWGMVSB-NSHDSACASA-N 1 1 261.333 0.584 50 0 CCAAMO Cc1nc([C@H]2CCC[N@H+](CCn3cnnc3)C2)n[nH]1 ZINC000825262135 821651268 /nfs/dbraw/zinc/65/12/68/821651268.db2.gz LEGAAJMYWGMVSB-NSHDSACASA-N 1 1 261.333 0.584 50 0 CCAAMO Cc1nc([C@H]2CCC[N@@H+](CCn3cnnc3)C2)n[nH]1 ZINC000825262135 821651272 /nfs/dbraw/zinc/65/12/72/821651272.db2.gz LEGAAJMYWGMVSB-NSHDSACASA-N 1 1 261.333 0.584 50 0 CCAAMO CN(C)c1nccnc1NCC[N@H+]1CCC[C@H](CO)C1 ZINC000828711229 821812569 /nfs/dbraw/zinc/81/25/69/821812569.db2.gz SUJJZMGFVWNSFV-LBPRGKRZSA-N 1 1 279.388 0.659 50 0 CCAAMO O=C(NCC[N@@H+]1CCC[C@H](CO)C1)C1CC=CC1 ZINC000828711103 821813314 /nfs/dbraw/zinc/81/33/14/821813314.db2.gz DNSFLKYVVNGJRI-LBPRGKRZSA-N 1 1 252.358 0.773 50 0 CCAAMO 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0.309 50 0 CCAAMO C[NH+](C)C[C@]1(O)CCN(c2nc(N)nc3c2CCCC3)C1 ZINC000095366974 349604360 /nfs/dbraw/zinc/60/43/60/349604360.db2.gz QSWHUPVZHQCGMS-OAHLLOKOSA-N 1 1 291.399 0.440 50 0 CCAAMO CC(=O)N1CC[N@@H+](Cc2ccc(N(C)C)nc2)C[C@@H](O)C1 ZINC000097099087 349628196 /nfs/dbraw/zinc/62/81/96/349628196.db2.gz NQIQIFVERWCYJF-CQSZACIVSA-N 1 1 292.383 0.173 50 0 CCAAMO CC(=O)N1CC[N@H+](Cc2ccc(N(C)C)nc2)C[C@@H](O)C1 ZINC000097099087 349628198 /nfs/dbraw/zinc/62/81/98/349628198.db2.gz NQIQIFVERWCYJF-CQSZACIVSA-N 1 1 292.383 0.173 50 0 CCAAMO CC(C)C[N@H+]1CCN(Cc2cnc(N)nc2)C[C@H](O)C1 ZINC000097117748 349628814 /nfs/dbraw/zinc/62/88/14/349628814.db2.gz XPZBYCGLEZEIPI-CYBMUJFWSA-N 1 1 279.388 0.193 50 0 CCAAMO Cc1cc(N2CCN(C[C@@H](O)CO)CC2)cc(C)[nH+]1 ZINC000097515139 349642031 /nfs/dbraw/zinc/64/20/31/349642031.db2.gz OCFDMRMSAIWNTP-CQSZACIVSA-N 1 1 265.357 0.174 50 0 CCAAMO COC[C@H](O)C[N@@H+](C)[C@H](C)C(=O)N1CCC(C)CC1 ZINC000110621448 349761339 /nfs/dbraw/zinc/76/13/39/349761339.db2.gz 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O=S(=O)(c1cc(F)ccc1F)N1CC[NH2+]CC1 ZINC000034866164 348152065 /nfs/dbraw/zinc/15/20/65/348152065.db2.gz HNNLKHHDDQOFIX-UHFFFAOYSA-N 1 1 262.281 0.559 50 0 CCAAMO O=S(=O)(c1ccc(F)c(F)c1F)N1CC[NH2+]CC1 ZINC000036259535 348161808 /nfs/dbraw/zinc/16/18/08/348161808.db2.gz CQMUVUJEIQGXIW-UHFFFAOYSA-N 1 1 280.271 0.698 50 0 CCAAMO CC(=O)NCCNC(=O)C[N@@H+](C)CCCc1ccccc1 ZINC000036395428 348166720 /nfs/dbraw/zinc/16/67/20/348166720.db2.gz SLHJXUPFVYNLMG-UHFFFAOYSA-N 1 1 291.395 0.803 50 0 CCAAMO CCS(=O)(=O)N1CCC([NH2+]Cc2cn[nH]c2C)CC1 ZINC000036901693 348173688 /nfs/dbraw/zinc/17/36/88/348173688.db2.gz ZZIKWSZKTKJGBI-UHFFFAOYSA-N 1 1 286.401 0.622 50 0 CCAAMO C[N@@H+](CC[C@@H]1CCCCO1)CC(=O)N1CCOCC1 ZINC000347397326 137334603 /nfs/dbraw/zinc/33/46/03/137334603.db2.gz FQJLOTCJNHGWIB-ZDUSSCGKSA-N 1 1 270.373 0.736 50 0 CCAAMO CC(C)CN1CCO[C@@H](CNC(=O)C[N@H+](C)CC2CC2)C1 ZINC000052127968 348505598 /nfs/dbraw/zinc/50/55/98/348505598.db2.gz TYQFMDXYXYIHOU-HNNXBMFYSA-N 1 1 297.443 0.801 50 0 CCAAMO CC(C)CN1CCO[C@@H](CNC(=O)C[N@@H+](C)CC2CC2)C1 ZINC000052127968 348505601 /nfs/dbraw/zinc/50/56/01/348505601.db2.gz TYQFMDXYXYIHOU-HNNXBMFYSA-N 1 1 297.443 0.801 50 0 CCAAMO CCn1cc(C[N@@H+](CC(C)C)C[C@H](O)CO)cn1 ZINC000055182767 348571811 /nfs/dbraw/zinc/57/18/11/348571811.db2.gz ZYBNHYGMVPSGNT-ZDUSSCGKSA-N 1 1 255.362 0.714 50 0 CCAAMO CC(C)[C@@H](CNC(=O)Nc1cn[nH]c1)[NH+]1CCOCC1 ZINC000065423968 348715776 /nfs/dbraw/zinc/71/57/76/348715776.db2.gz OSTWVBNVEPUWKQ-GFCCVEGCSA-N 1 1 281.360 0.888 50 0 CCAAMO Cc1nn(C)c(N(C)C)c1C[NH2+][C@H]1CCS(=O)(=O)C1 ZINC000065512408 348719284 /nfs/dbraw/zinc/71/92/84/348719284.db2.gz RVHRKUGSGMSGEY-JTQLQIEISA-N 1 1 286.401 0.071 50 0 CCAAMO COc1cc(NCC[N@H+]2CCCC[C@H]2CO)ncn1 ZINC000065496439 348719382 /nfs/dbraw/zinc/71/93/82/348719382.db2.gz YZDKMYLRJFLAMQ-NSHDSACASA-N 1 1 266.345 0.744 50 0 CCAAMO Cc1ccc(C[N@H+]2CC[C@@H](CNC(=O)C(N)=O)C2)cc1C ZINC000067587599 348777320 /nfs/dbraw/zinc/77/73/20/348777320.db2.gz QLBVPXLFJWMZPQ-AWEZNQCLSA-N 1 1 289.379 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