smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCC[N@H+](CC(=O)N(C)C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775656342 579269603 /nfs/dbraw/zinc/26/96/03/579269603.db2.gz FATSRMLHBUIENQ-UHFFFAOYSA-N 2 1 348.491 0.975 20 10 ECCDMP COCC[N@@H+](CC(=O)N(C)C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775656342 579269605 /nfs/dbraw/zinc/26/96/05/579269605.db2.gz FATSRMLHBUIENQ-UHFFFAOYSA-N 2 1 348.491 0.975 20 10 ECCDMP COc1c(O)c(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)ccc1[N+](=O)[O-] ZINC000843121177 589051438 /nfs/dbraw/zinc/05/14/38/589051438.db2.gz GEBKQULYQJUWMU-ZDUSSCGKSA-N 2 1 336.392 0.789 20 10 ECCDMP COC(=O)[C@H]1C[C@@H](O)C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000843433639 589066993 /nfs/dbraw/zinc/06/69/93/589066993.db2.gz BQAZSXZXTIFJDP-FUHWJXTLSA-N 2 1 347.459 0.794 20 10 ECCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)cc2)CC1 ZINC000843120559 589051346 /nfs/dbraw/zinc/05/13/46/589051346.db2.gz ACDCCXXEHULMRD-HXUWFJFHSA-N 3 1 343.519 0.918 20 10 ECCDMP CN1CCN(c2ccc(C[N@@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)cc2)CC1 ZINC000843120559 589051348 /nfs/dbraw/zinc/05/13/48/589051348.db2.gz ACDCCXXEHULMRD-HXUWFJFHSA-N 2 1 343.519 0.918 20 10 ECCDMP CN1CCN(c2ccc(C[N@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)cc2)CC1 ZINC000843120559 589051350 /nfs/dbraw/zinc/05/13/50/589051350.db2.gz ACDCCXXEHULMRD-HXUWFJFHSA-N 2 1 343.519 0.918 20 10 ECCDMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000843122826 589051777 /nfs/dbraw/zinc/05/17/77/589051777.db2.gz VNQHJYBXHGSQQA-CYBMUJFWSA-N 2 1 335.404 0.940 20 10 ECCDMP CN1C(=O)[C@H]2C[N@@H+](Cc3ccc(N4CC[NH+](C)CC4)cc3)C[C@H]2C1=O ZINC000877720710 590479474 /nfs/dbraw/zinc/47/94/74/590479474.db2.gz VDXYRDBFUBIUBM-CALCHBBNSA-N 2 1 342.443 0.485 20 10 ECCDMP CN1CCO[C@H]2C[N@@H+](Cc3ccc(N4CC[NH+](C)CC4)cc3)C[C@H]21 ZINC000775716804 579270364 /nfs/dbraw/zinc/27/03/64/579270364.db2.gz GYZDBCFULJLZIP-MOPGFXCFSA-N 2 1 330.476 0.953 20 10 ECCDMP COc1ccc(N2CC[NH+](CCNC(=O)N3CC[C@@H]([NH3+])C3)CC2)cc1 ZINC000841750602 588999968 /nfs/dbraw/zinc/99/99/68/588999968.db2.gz SNOSFFXHLOSLRC-OAHLLOKOSA-N 2 1 347.463 0.560 20 10 ECCDMP [NH3+]Cc1cc(=O)[nH]c(C[NH2+]Cc2ccc(N3CCOCC3)cc2)n1 ZINC000863648808 590028891 /nfs/dbraw/zinc/02/88/91/590028891.db2.gz JYGBJWXVCXLWDL-UHFFFAOYSA-N 2 1 329.404 0.767 20 10 ECCDMP COc1ccc(N2CCN(C[C@H](O)C[NH+]3CCC([NH3+])CC3)CC2)cc1 ZINC000923277113 611223291 /nfs/dbraw/zinc/22/32/91/611223291.db2.gz JYDVIECWUUXAET-GOSISDBHSA-N 2 1 348.491 0.601 20 10 ECCDMP COc1ccc(N2CCN(C[C@H](O)C[N@H+]3CC[C@@H](C[NH3+])C3)CC2)cc1 ZINC000923280894 611224315 /nfs/dbraw/zinc/22/43/15/611224315.db2.gz JROJAHXJJPBXNM-WMZOPIPTSA-N 2 1 348.491 0.459 20 10 ECCDMP COc1ccc(N2CC[NH+](CCNC(=O)[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000269297718 436654716 /nfs/dbraw/zinc/65/47/16/436654716.db2.gz OVOHOXNMOMSBGX-INIZCTEOSA-N 2 1 346.475 0.933 20 10 ECCDMP C[C@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[N@H+]1CCO ZINC000779213725 579314252 /nfs/dbraw/zinc/31/42/52/579314252.db2.gz MWCHFYRMYGMOEK-KRWDZBQOSA-N 2 1 332.492 0.937 20 10 ECCDMP C[C@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCN1CCO ZINC000779213725 579314253 /nfs/dbraw/zinc/31/42/53/579314253.db2.gz MWCHFYRMYGMOEK-KRWDZBQOSA-N 2 1 332.492 0.937 20 10 ECCDMP C[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCN1CCO ZINC000779213725 579314254 /nfs/dbraw/zinc/31/42/54/579314254.db2.gz MWCHFYRMYGMOEK-KRWDZBQOSA-N 2 1 332.492 0.937 20 10 ECCDMP COc1ccc(N2CC[NH+](CCNC(=O)[C@H]3CC[NH2+][C@@H]3C)CC2)cc1 ZINC000829507020 588327544 /nfs/dbraw/zinc/32/75/44/588327544.db2.gz ZWFXMRQIFXRVEQ-QAPCUYQASA-N 2 1 346.475 0.931 20 10 ECCDMP COc1ccc(O)c(C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000872254712 590108237 /nfs/dbraw/zinc/10/82/37/590108237.db2.gz CBKGSSFSSRFNDH-BJJXKVORSA-N 2 1 333.388 0.768 20 10 ECCDMP COc1ccc(N2CC[NH+](CCNC(=O)[C@H](C)[C@@H](C)[NH3+])CC2)cc1 ZINC000276948883 437179930 /nfs/dbraw/zinc/17/99/30/437179930.db2.gz DLVZCIOSSBIPMA-HUUCEWRRSA-N 2 1 334.464 0.917 20 10 ECCDMP CCN(CC[NH3+])C(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000861567802 589864674 /nfs/dbraw/zinc/86/46/74/589864674.db2.gz OYJZTCRNVMQSNZ-UHFFFAOYSA-N 2 1 349.479 0.807 20 10 ECCDMP CCOC(=O)c1cnn2c1[nH]c(CN1C[C@@H]3C[N@H+](C)C[C@@H]3C1)cc2=O ZINC000193624079 437711497 /nfs/dbraw/zinc/71/14/97/437711497.db2.gz JRQZLXXDVYKMFJ-TXEJJXNPSA-N 2 1 345.403 0.605 20 10 ECCDMP CN1CCO[C@H]2C[N@@H+](Cc3ccc(N4CC[NH+](C)CC4)cc3)C[C@@H]21 ZINC000775716805 579270335 /nfs/dbraw/zinc/27/03/35/579270335.db2.gz GYZDBCFULJLZIP-OALUTQOASA-N 2 1 330.476 0.953 20 10 ECCDMP COc1ccc(N2CC[NH+](CCNC(=O)NC/C=C/C[NH3+])CC2)cc1 ZINC000841749251 588999890 /nfs/dbraw/zinc/99/98/90/588999890.db2.gz BVQPJNUIOUWMFA-NSCUHMNNSA-N 2 1 347.463 0.631 20 10 ECCDMP CN(C)c1ccc([C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)[NH+](C)C)cc1 ZINC000891254069 586156806 /nfs/dbraw/zinc/15/68/06/586156806.db2.gz VNJDMZZFTBRMNX-IAGOWNOFSA-N 2 1 334.464 0.802 20 10 ECCDMP CN(C)c1ccc([C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)[NH+](C)C)cc1 ZINC000891254069 586156807 /nfs/dbraw/zinc/15/68/07/586156807.db2.gz VNJDMZZFTBRMNX-IAGOWNOFSA-N 2 1 334.464 0.802 20 10 ECCDMP COC(=O)[C@@]1(O)CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000895703706 586199239 /nfs/dbraw/zinc/19/92/39/586199239.db2.gz NZYQZYIKGAVASU-GOSISDBHSA-N 2 1 333.432 0.548 20 10 ECCDMP C[NH2+][C@H](C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1cnn(C)c1 ZINC000832272964 588477698 /nfs/dbraw/zinc/47/76/98/588477698.db2.gz KQBQNICIFILCQF-CVEARBPZSA-N 2 1 330.436 0.563 20 10 ECCDMP COc1ccc(N2CC[NH+](CCNC(=O)CC3([NH3+])CC3)CC2)cc1 ZINC000852872114 589520537 /nfs/dbraw/zinc/52/05/37/589520537.db2.gz BMDRXOCMBOQVFB-UHFFFAOYSA-N 2 1 332.448 0.815 20 10 ECCDMP COc1ccc(N2CC[NH+](CCNC(=O)[C@H]([NH3+])C(C)C)CC2)cc1 ZINC000269238642 437473116 /nfs/dbraw/zinc/47/31/16/437473116.db2.gz AKWIIKHHBKMILF-QGZVFWFLSA-N 2 1 334.464 0.917 20 10 ECCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCN4CCOC[C@@H]4C3)cc2)CC1 ZINC000757930577 579465833 /nfs/dbraw/zinc/46/58/33/579465833.db2.gz PJMNWLVDXHFEAC-IBGZPJMESA-N 2 1 330.476 0.955 20 10 ECCDMP COc1ccc(N2CC[NH+](CCNC(=O)[C@@H]3CC[N@H+](C)C3)CC2)cc1 ZINC000729921681 578300041 /nfs/dbraw/zinc/30/00/41/578300041.db2.gz SBVPMKMLGLZFMY-MRXNPFEDSA-N 2 1 346.475 0.885 20 10 ECCDMP COc1ccc(N2CC[NH+](CCNC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)cc1 ZINC000729921681 578300043 /nfs/dbraw/zinc/30/00/43/578300043.db2.gz SBVPMKMLGLZFMY-MRXNPFEDSA-N 2 1 346.475 0.885 20 10 ECCDMP C[NH+]1CCN(c2ccc(C[NH+]3CCC([NH2+]CCO)CC3)cc2)CC1 ZINC000873218058 590186918 /nfs/dbraw/zinc/18/69/18/590186918.db2.gz XXFVNYWXLZZTTH-UHFFFAOYSA-N 3 1 332.492 0.985 20 10 ECCDMP COc1ccc(N2CC[NH+](CCNC(=O)C3CC[NH2+]CC3)CC2)cc1 ZINC000272454141 436716169 /nfs/dbraw/zinc/71/61/69/436716169.db2.gz MZJCDAWEPKSUGA-UHFFFAOYSA-N 2 1 346.475 0.933 20 10 ECCDMP COc1c(O)c(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)ccc1[N+](=O)[O-] ZINC000843121174 589051520 /nfs/dbraw/zinc/05/15/20/589051520.db2.gz GEBKQULYQJUWMU-CYBMUJFWSA-N 2 1 336.392 0.789 20 10 ECCDMP C[C@H](C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)N1CC[NH+](C)CC1 ZINC000843297016 589060019 /nfs/dbraw/zinc/06/00/19/589060019.db2.gz DZESQMQYKJVPLG-RHSMWYFYSA-N 2 1 333.480 0.505 20 10 ECCDMP C[NH2+][C@H](C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1cnn(C)c1 ZINC000832272965 588477646 /nfs/dbraw/zinc/47/76/46/588477646.db2.gz KQBQNICIFILCQF-HOTGVXAUSA-N 2 1 330.436 0.563 20 10 ECCDMP C[NH2+][C@@H](C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1cnn(C)c1 ZINC000832272967 588477682 /nfs/dbraw/zinc/47/76/82/588477682.db2.gz KQBQNICIFILCQF-JKSUJKDBSA-N 2 1 330.436 0.563 20 10 ECCDMP CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)[NH+](C)C)cc1 ZINC000891254086 586156858 /nfs/dbraw/zinc/15/68/58/586156858.db2.gz VNJDMZZFTBRMNX-SJORKVTESA-N 2 1 334.464 0.802 20 10 ECCDMP CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)[NH+](C)C)cc1 ZINC000891254086 586156859 /nfs/dbraw/zinc/15/68/59/586156859.db2.gz VNJDMZZFTBRMNX-SJORKVTESA-N 2 1 334.464 0.802 20 10 ECCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCO[C@@H](CC(N)=O)C3)cc2)CC1 ZINC000862535696 589942473 /nfs/dbraw/zinc/94/24/73/589942473.db2.gz WNHFGRQBRYWCNT-KRWDZBQOSA-N 2 1 332.448 0.515 20 10 ECCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCO[C@@H](CC(N)=O)C3)cc2)CC1 ZINC000862535696 589942474 /nfs/dbraw/zinc/94/24/74/589942474.db2.gz WNHFGRQBRYWCNT-KRWDZBQOSA-N 2 1 332.448 0.515 20 10 ECCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@@H]4CS(=O)(=O)C[C@@H]4C3)cc2)CC1 ZINC000897618224 586352008 /nfs/dbraw/zinc/35/20/08/586352008.db2.gz BFZVFHDXDULZLN-CALCHBBNSA-N 2 1 349.500 0.915 20 10 ECCDMP CCN1CC[NH+](CCC(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)CC1 ZINC000844163320 589097037 /nfs/dbraw/zinc/09/70/37/589097037.db2.gz YTVMGFBZYWZIKE-SFHVURJKSA-N 2 1 347.507 0.896 20 10 ECCDMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000843053314 589048132 /nfs/dbraw/zinc/04/81/32/589048132.db2.gz VJULKICTLXMTLU-UHFFFAOYSA-N 2 1 336.455 0.999 20 10 ECCDMP COc1ccc(N2CC[NH+](CCNC(=O)C3=CC[C@@H]([NH3+])C3)CC2)cc1 ZINC000876781525 590414156 /nfs/dbraw/zinc/41/41/56/590414156.db2.gz HVXBAYRVKGOCRI-MRXNPFEDSA-N 2 1 344.459 0.981 20 10 ECCDMP COc1ccc(N2CC[NH+](CCC(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000244164106 545934748 /nfs/dbraw/zinc/93/47/48/545934748.db2.gz UZRGKDKSCPHXHJ-UHFFFAOYSA-N 2 1 346.475 0.981 20 10 ECCDMP CNC(=O)[C@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCO1 ZINC000781925523 578716732 /nfs/dbraw/zinc/71/67/32/578716732.db2.gz GKAZXLUSNSOOKD-QGZVFWFLSA-N 2 1 332.448 0.385 20 10 ECCDMP CNC(=O)[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCO1 ZINC000781925523 578716733 /nfs/dbraw/zinc/71/67/33/578716733.db2.gz GKAZXLUSNSOOKD-QGZVFWFLSA-N 2 1 332.448 0.385 20 10 ECCDMP COc1ccc(N2CC[NH+](CCNC(=O)NC/C=C\C[NH3+])CC2)cc1 ZINC000841749250 588999746 /nfs/dbraw/zinc/99/97/46/588999746.db2.gz BVQPJNUIOUWMFA-IHWYPQMZSA-N 2 1 347.463 0.631 20 10 ECCDMP COc1ccc(N2CCN(C(=O)C[N@@H+]3CC[C@H](C[NH3+])C3)CC2)cc1 ZINC000844219578 589103770 /nfs/dbraw/zinc/10/37/70/589103770.db2.gz LDWZFUQSAXDAMS-OAHLLOKOSA-N 2 1 332.448 0.624 20 10 ECCDMP COc1ccc(N2CCN(C(=O)C[N@H+]3CC[C@H](C[NH3+])C3)CC2)cc1 ZINC000844219578 589103771 /nfs/dbraw/zinc/10/37/71/589103771.db2.gz LDWZFUQSAXDAMS-OAHLLOKOSA-N 2 1 332.448 0.624 20 10 ECCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H]4OCC(=O)N[C@H]4C3)cc2)CC1 ZINC000835055986 611306891 /nfs/dbraw/zinc/30/68/91/611306891.db2.gz CTGWXAIACMWHHS-ROUUACIJSA-N 2 1 344.459 0.528 20 10 ECCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCN4CCOC[C@H]4C3)cc2)CC1 ZINC000757930578 579465854 /nfs/dbraw/zinc/46/58/54/579465854.db2.gz PJMNWLVDXHFEAC-LJQANCHMSA-N 2 1 330.476 0.955 20 10 ECCDMP CNC(=O)[C@@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCO1 ZINC000781925522 578716723 /nfs/dbraw/zinc/71/67/23/578716723.db2.gz GKAZXLUSNSOOKD-KRWDZBQOSA-N 2 1 332.448 0.385 20 10 ECCDMP CNC(=O)[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCO1 ZINC000781925522 578716724 /nfs/dbraw/zinc/71/67/24/578716724.db2.gz GKAZXLUSNSOOKD-KRWDZBQOSA-N 2 1 332.448 0.385 20 10 ECCDMP C[NH+]1CCN(c2ccc(CN3CCN([C@@H]4CC[NH2+]C4)CC3)cc2)CC1 ZINC000843124453 589051899 /nfs/dbraw/zinc/05/18/99/589051899.db2.gz AZKIHGKMAQXKJO-HXUWFJFHSA-N 2 1 343.519 0.918 20 10 ECCDMP C[NH2+]C[C@@H](C)C(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000269239788 437472398 /nfs/dbraw/zinc/47/23/98/437472398.db2.gz ARTDEFZRJCPYEA-OAHLLOKOSA-N 2 1 334.464 0.789 20 10 ECCDMP COc1ccc(N2CC[NH+](CCNC(=O)N(C)[C@@H](C)C[NH3+])CC2)cc1 ZINC000841750526 588999706 /nfs/dbraw/zinc/99/97/06/588999706.db2.gz RQTXAPGXRGSQCV-HNNXBMFYSA-N 2 1 349.479 0.806 20 10 ECCDMP CC[C@H]([NH3+])CNC(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000841749344 588999980 /nfs/dbraw/zinc/99/99/80/588999980.db2.gz CUBBBSNAASESDS-HNNXBMFYSA-N 2 1 349.479 0.854 20 10 ECCDMP C[C@@H](C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)N1CC[NH+](C)CC1 ZINC000843297022 589060069 /nfs/dbraw/zinc/06/00/69/589060069.db2.gz DZESQMQYKJVPLG-YOEHRIQHSA-N 2 1 333.480 0.505 20 10 ECCDMP COc1ccc(N2CC[NH+](CCNC(=O)N[C@H](C)[C@H](C)[NH3+])CC2)cc1 ZINC000841749743 588999962 /nfs/dbraw/zinc/99/99/62/588999962.db2.gz IEAPKWIBLWJFPF-LSDHHAIUSA-N 2 1 349.479 0.852 20 10 ECCDMP COc1ccc(N2CC[NH+](CCNC(=O)N(C)C[C@H](C)[NH3+])CC2)cc1 ZINC000861567844 589864634 /nfs/dbraw/zinc/86/46/34/589864634.db2.gz QFNUSOXBHPRIDD-HNNXBMFYSA-N 2 1 349.479 0.806 20 10 ECCDMP CC[N@@H+]1CCO[C@H](C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000881851034 590480621 /nfs/dbraw/zinc/48/06/21/590480621.db2.gz NLCCUVIQWRBGSI-SFHVURJKSA-N 2 1 346.475 0.775 20 10 ECCDMP CC[N@H+]1CCO[C@H](C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000881851034 590480622 /nfs/dbraw/zinc/48/06/22/590480622.db2.gz NLCCUVIQWRBGSI-SFHVURJKSA-N 2 1 346.475 0.775 20 10 ECCDMP COc1ccc(N2CC[NH+](CCNC(=O)[C@H](C)[C@H](C)[NH3+])CC2)cc1 ZINC000276948876 437179958 /nfs/dbraw/zinc/17/99/58/437179958.db2.gz DLVZCIOSSBIPMA-CABCVRRESA-N 2 1 334.464 0.917 20 10 ECCDMP CC[NH2+]CCNC(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000841751361 588999711 /nfs/dbraw/zinc/99/97/11/588999711.db2.gz XASUOKXVSXOQKO-UHFFFAOYSA-N 2 1 349.479 0.726 20 10 ECCDMP COc1ccc(N2CC[NH+](CCNC(=O)C[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000829505121 588327481 /nfs/dbraw/zinc/32/74/81/588327481.db2.gz KVQHRRCIVANNCZ-INIZCTEOSA-N 2 1 346.475 0.933 20 10 ECCDMP COc1ccc(N2CC[NH+](CCNC(=O)C(C)(C)C[NH3+])CC2)cc1 ZINC000829504543 588327536 /nfs/dbraw/zinc/32/75/36/588327536.db2.gz FGJOJBCAOGUEJV-UHFFFAOYSA-N 2 1 334.464 0.918 20 10 ECCDMP COc1ccc(N2CC[NH+](CCNC(=O)N(C)C[C@@H](C)[NH3+])CC2)cc1 ZINC000861567845 589864732 /nfs/dbraw/zinc/86/47/32/589864732.db2.gz QFNUSOXBHPRIDD-OAHLLOKOSA-N 2 1 349.479 0.806 20 10 ECCDMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000918829662 610019506 /nfs/dbraw/zinc/01/95/06/610019506.db2.gz DWNYJPAJTHECTH-IEBWSBKVSA-N 2 1 346.475 0.510 20 10 ECCDMP COc1ccc(N2CC[NH+](CCNC(=O)[C@]3(C)CC[NH2+]C3)CC2)cc1 ZINC000269241293 437472640 /nfs/dbraw/zinc/47/26/40/437472640.db2.gz BKAPWCMKNVUIEI-LJQANCHMSA-N 2 1 346.475 0.933 20 10 ECCDMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000843052466 589048109 /nfs/dbraw/zinc/04/81/09/589048109.db2.gz LVIGRCKXPIGGAK-UHFFFAOYSA-N 3 1 331.508 0.775 20 10 ECCDMP CN1CCN(c2ccc(C[N@H+](C)CCN3CC[NH2+]CC3)cc2)CC1 ZINC000843052466 589048110 /nfs/dbraw/zinc/04/81/10/589048110.db2.gz LVIGRCKXPIGGAK-UHFFFAOYSA-N 2 1 331.508 0.775 20 10 ECCDMP CN1CCN(c2ccc(C[N@@H+](C)CCN3CC[NH2+]CC3)cc2)CC1 ZINC000843052466 589048111 /nfs/dbraw/zinc/04/81/11/589048111.db2.gz LVIGRCKXPIGGAK-UHFFFAOYSA-N 2 1 331.508 0.775 20 10 ECCDMP CN(C)c1ccc(CNC(=O)C[N@H+](C)CCN2CC[NH2+]CC2)cc1 ZINC000844219597 589103763 /nfs/dbraw/zinc/10/37/63/589103763.db2.gz LVBWSMNUUIURMO-UHFFFAOYSA-N 2 1 333.480 0.206 20 10 ECCDMP CN(C)c1ccc(CNC(=O)C[N@@H+](C)CCN2CC[NH2+]CC2)cc1 ZINC000844219597 589103765 /nfs/dbraw/zinc/10/37/65/589103765.db2.gz LVBWSMNUUIURMO-UHFFFAOYSA-N 2 1 333.480 0.206 20 10 ECCDMP Oc1cc(O)c(CCNc2nc(N3CC[NH2+]CC3)cc[nH+]2)cc1O ZINC001168009449 745738111 /nfs/dbraw/zinc/73/81/11/745738111.db2.gz INJPEMUEBTVPMW-UHFFFAOYSA-N 2 1 331.376 0.658 20 10 ECCDMP COc1ccc(N2CC[NH+](CCNC(=O)NC[C@@H](C)[NH3+])CC2)cc1 ZINC000841751477 588999801 /nfs/dbraw/zinc/99/98/01/588999801.db2.gz ZHWUPQMKFGUBIF-CQSZACIVSA-N 2 1 335.452 0.464 20 10 ECCDMP COc1ccc(N2CCN(C[C@@H](O)C[N@H+]3CC[C@@H](C[NH3+])C3)CC2)cc1 ZINC000923280890 611224013 /nfs/dbraw/zinc/22/40/13/611224013.db2.gz JROJAHXJJPBXNM-FUHWJXTLSA-N 2 1 348.491 0.459 20 10 ECCDMP C[NH+]1CCN(c2ccc(C[NH+]3CCN(CC(N)=O)CC3)cc2)CC1 ZINC000775644669 579269411 /nfs/dbraw/zinc/26/94/11/579269411.db2.gz NBXTXSGGKOTZME-UHFFFAOYSA-N 2 1 331.464 0.041 20 10 ECCDMP COc1ccc(N2CC[NH+](CCNC(=O)[C@@H]3CC[NH2+][C@@H]3C)CC2)cc1 ZINC000829507018 588327594 /nfs/dbraw/zinc/32/75/94/588327594.db2.gz ZWFXMRQIFXRVEQ-CRAIPNDOSA-N 2 1 346.475 0.931 20 10 ECCDMP COc1ccc(N2CC[NH+](CCNC(=O)N[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000841751033 588999946 /nfs/dbraw/zinc/99/99/46/588999946.db2.gz VKEUMLZXUNFSPU-HNNXBMFYSA-N 2 1 347.463 0.478 20 10 ECCDMP COc1ccc(N2CC[NH+](CCNC(=O)C[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000829505123 588327505 /nfs/dbraw/zinc/32/75/05/588327505.db2.gz KVQHRRCIVANNCZ-MRXNPFEDSA-N 2 1 346.475 0.933 20 10 ECCDMP COc1ccc(N2CC[NH+](CCNC(=O)[C@H]3C[C@H]([NH3+])C3)CC2)cc1 ZINC000852872417 589520452 /nfs/dbraw/zinc/52/04/52/589520452.db2.gz GXBIIDZBBSYIHD-SHTZXODSSA-N 2 1 332.448 0.671 20 10 ECCDMP CC[N@@H+]1CCO[C@@H](C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000881851032 590480587 /nfs/dbraw/zinc/48/05/87/590480587.db2.gz NLCCUVIQWRBGSI-GOSISDBHSA-N 2 1 346.475 0.775 20 10 ECCDMP CC[N@H+]1CCO[C@@H](C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000881851032 590480589 /nfs/dbraw/zinc/48/05/89/590480589.db2.gz NLCCUVIQWRBGSI-GOSISDBHSA-N 2 1 346.475 0.775 20 10 ECCDMP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000918829664 610019754 /nfs/dbraw/zinc/01/97/54/610019754.db2.gz DWNYJPAJTHECTH-PKOBYXMFSA-N 2 1 346.475 0.510 20 10 ECCDMP COCC[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@H](C)C(N)=O ZINC000775680519 579269647 /nfs/dbraw/zinc/26/96/47/579269647.db2.gz FWAMRHCSZFGACP-OAHLLOKOSA-N 2 1 334.464 0.761 20 10 ECCDMP COCC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@H](C)C(N)=O ZINC000775680519 579269649 /nfs/dbraw/zinc/26/96/49/579269649.db2.gz FWAMRHCSZFGACP-OAHLLOKOSA-N 2 1 334.464 0.761 20 10 ECCDMP COc1ccc(N2CC[NH+](CCNC(=O)NCC[NH+](C)C)CC2)cc1 ZINC000762423105 579541535 /nfs/dbraw/zinc/54/15/35/579541535.db2.gz GGRYAQUOIPMGTG-UHFFFAOYSA-N 2 1 349.479 0.678 20 10 ECCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H](N4CC[NH2+]CC4)C3)cc2)CC1 ZINC000843120557 589051607 /nfs/dbraw/zinc/05/16/07/589051607.db2.gz ACDCCXXEHULMRD-FQEVSTJZSA-N 3 1 343.519 0.918 20 10 ECCDMP CN1CCN(c2ccc(C[N@@H+]3CC[C@H](N4CC[NH2+]CC4)C3)cc2)CC1 ZINC000843120557 589051609 /nfs/dbraw/zinc/05/16/09/589051609.db2.gz ACDCCXXEHULMRD-FQEVSTJZSA-N 2 1 343.519 0.918 20 10 ECCDMP CN1CCN(c2ccc(C[N@H+]3CC[C@H](N4CC[NH2+]CC4)C3)cc2)CC1 ZINC000843120557 589051611 /nfs/dbraw/zinc/05/16/11/589051611.db2.gz ACDCCXXEHULMRD-FQEVSTJZSA-N 2 1 343.519 0.918 20 10 ECCDMP C[N@@H+](CCC(=O)N1CC[NH2+]CC1)Cc1ccc(N2CCOCC2)cc1 ZINC000844221089 589103748 /nfs/dbraw/zinc/10/37/48/589103748.db2.gz UEEHBKGSZJASPY-UHFFFAOYSA-N 2 1 346.475 0.777 20 10 ECCDMP C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3C[N@H+](C)CCO3)cc2)CC1 ZINC000881850843 590480737 /nfs/dbraw/zinc/48/07/37/590480737.db2.gz HXSNGZIVPNILBR-KRWDZBQOSA-N 2 1 332.448 0.385 20 10 ECCDMP C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)cc2)CC1 ZINC000881850843 590480739 /nfs/dbraw/zinc/48/07/39/590480739.db2.gz HXSNGZIVPNILBR-KRWDZBQOSA-N 2 1 332.448 0.385 20 10 ECCDMP C[C@@H](C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)N1CC[NH+](C)CC1 ZINC000843297019 589059878 /nfs/dbraw/zinc/05/98/78/589059878.db2.gz DZESQMQYKJVPLG-WMLDXEAASA-N 2 1 333.480 0.505 20 10 ECCDMP COc1cccc(O)c1C[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872255216 590108665 /nfs/dbraw/zinc/10/86/65/590108665.db2.gz RLCNIGSSEIFLCF-KFNAQCHYSA-N 2 1 333.388 0.768 20 10 ECCDMP COc1ccc(N2CC[NH+](CCNC(=O)[C@@H](C)[C@@H](C)[NH3+])CC2)cc1 ZINC000276948887 437180144 /nfs/dbraw/zinc/18/01/44/437180144.db2.gz DLVZCIOSSBIPMA-LSDHHAIUSA-N 2 1 334.464 0.917 20 10 ECCDMP O=C([C@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1)N1CC[NH2+]CC1 ZINC000843047538 589047867 /nfs/dbraw/zinc/04/78/67/589047867.db2.gz VIRDCBUCWQRLAU-ZDUSSCGKSA-N 2 1 347.415 0.765 20 10 ECCDMP C[C@@H]1C[N@@H+](CCO)CCN1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000825336872 587933492 /nfs/dbraw/zinc/93/34/92/587933492.db2.gz AEOQEVIGVQQKOB-QGZVFWFLSA-N 2 1 332.492 0.937 20 10 ECCDMP C[C@@H]1CN(CCO)CC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000825336872 587933493 /nfs/dbraw/zinc/93/34/93/587933493.db2.gz AEOQEVIGVQQKOB-QGZVFWFLSA-N 2 1 332.492 0.937 20 10 ECCDMP C[C@@H]1CN(CCO)CC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000825336872 587933494 /nfs/dbraw/zinc/93/34/94/587933494.db2.gz AEOQEVIGVQQKOB-QGZVFWFLSA-N 2 1 332.492 0.937 20 10 ECCDMP COc1ccc(N2CCN(C[C@@H](O)C[N@H+](C)C3CC([NH3+])C3)CC2)cc1 ZINC000923363316 611233834 /nfs/dbraw/zinc/23/38/34/611233834.db2.gz RRYYMXAZEAATCU-VJFUWPCTSA-N 2 1 348.491 0.600 20 10 ECCDMP COc1ccc(N2CCN(C[C@@H](O)C[N@@H+](C)C3CC([NH3+])C3)CC2)cc1 ZINC000923363316 611233835 /nfs/dbraw/zinc/23/38/35/611233835.db2.gz RRYYMXAZEAATCU-VJFUWPCTSA-N 2 1 348.491 0.600 20 10 ECCDMP COc1ccc(N2CC[NH+](CCNC(=O)N[C@@H](C)C[NH3+])CC2)cc1 ZINC000841750391 588999638 /nfs/dbraw/zinc/99/96/38/588999638.db2.gz PRAKSTTXIATYMI-AWEZNQCLSA-N 2 1 335.452 0.464 20 10 ECCDMP COc1cccc(C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1O ZINC000872255238 590108400 /nfs/dbraw/zinc/10/84/00/590108400.db2.gz SATASOJTSZBFRK-GUTXKFCHSA-N 2 1 333.388 0.768 20 10 ECCDMP C[N@H+]1CC[C@H]1CNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000924007527 611382220 /nfs/dbraw/zinc/38/22/20/611382220.db2.gz NVSKNPHFGVJMSK-KRWDZBQOSA-N 2 1 331.464 0.942 20 10 ECCDMP COc1cc(O)c(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1OC ZINC000843048093 589047887 /nfs/dbraw/zinc/04/78/87/589047887.db2.gz MSACJGSWVDYNLQ-GFCCVEGCSA-N 2 1 337.420 0.696 20 10 ECCDMP COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000843433640 589066896 /nfs/dbraw/zinc/06/68/96/589066896.db2.gz BQAZSXZXTIFJDP-SJLPKXTDSA-N 2 1 347.459 0.794 20 10 ECCDMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1cc3c(cc1O)OCO3)C2 ZINC000903978966 586828683 /nfs/dbraw/zinc/82/86/83/586828683.db2.gz PXDIUYOKRQOHQM-JKDFXYPNSA-N 2 1 334.372 0.833 20 10 ECCDMP COc1ccc(N2CC[NH+](CCNC(=O)[C@H]3C[C@@H]([NH3+])C3)CC2)cc1 ZINC000844190315 589101679 /nfs/dbraw/zinc/10/16/79/589101679.db2.gz GXBIIDZBBSYIHD-GASCZTMLSA-N 2 1 332.448 0.671 20 10 ECCDMP CN(C)c1ccc(CNC(=O)C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000844225809 589104111 /nfs/dbraw/zinc/10/41/11/589104111.db2.gz VNPVSWRABYHDIJ-GOSISDBHSA-N 2 1 345.491 0.348 20 10 ECCDMP COc1ccc(O)c(C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000872254719 590108368 /nfs/dbraw/zinc/10/83/68/590108368.db2.gz CBKGSSFSSRFNDH-XPKDYRNWSA-N 2 1 333.388 0.768 20 10 ECCDMP C[NH+]1CCN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000889674669 591070216 /nfs/dbraw/zinc/07/02/16/591070216.db2.gz RFKDOFJPPLXNDU-UHFFFAOYSA-N 2 1 331.464 0.895 20 10 ECCDMP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000918829577 610020014 /nfs/dbraw/zinc/02/00/14/610020014.db2.gz DWNYJPAJTHECTH-HKUYNNGSSA-N 2 1 346.475 0.510 20 10 ECCDMP CC[C@@H]([NH3+])CNC(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000841749345 588999869 /nfs/dbraw/zinc/99/98/69/588999869.db2.gz CUBBBSNAASESDS-OAHLLOKOSA-N 2 1 349.479 0.854 20 10 ECCDMP COc1ccc(N2CCN(C(=O)C[N@H+]3C[C@@H](C[NH3+])[C@H](C)C3)CC2)cc1 ZINC000866673718 589756512 /nfs/dbraw/zinc/75/65/12/589756512.db2.gz GTZXICZEFUDHFL-HZPDHXFCSA-N 2 1 346.475 0.870 20 10 ECCDMP COc1ccc(N2CCN(C(=O)C[N@@H+]3C[C@@H](C[NH3+])[C@H](C)C3)CC2)cc1 ZINC000866673718 589756514 /nfs/dbraw/zinc/75/65/14/589756514.db2.gz GTZXICZEFUDHFL-HZPDHXFCSA-N 2 1 346.475 0.870 20 10 ECCDMP COc1ccc(N2CC[NH+](CCNC(=O)[C@@H]([NH3+])C(C)C)CC2)cc1 ZINC000269238640 437472314 /nfs/dbraw/zinc/47/23/14/437472314.db2.gz AKWIIKHHBKMILF-KRWDZBQOSA-N 2 1 334.464 0.917 20 10 ECCDMP COc1ccc(N2CC[NH+](CCNC(=O)NC[C@H](C)C[NH3+])CC2)cc1 ZINC000841751066 588999777 /nfs/dbraw/zinc/99/97/77/588999777.db2.gz WBYMBYSTOJQDIT-OAHLLOKOSA-N 2 1 349.479 0.711 20 10 ECCDMP CN(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)CC2([NH+](C)C)CC2)cc1 ZINC000866757515 589769759 /nfs/dbraw/zinc/76/97/59/589769759.db2.gz WZONPZGEZZKCSX-HNNXBMFYSA-N 2 1 340.493 0.766 20 10 ECCDMP COC(=O)[C@]1(O)CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000895703713 586199721 /nfs/dbraw/zinc/19/97/21/586199721.db2.gz NZYQZYIKGAVASU-SFHVURJKSA-N 2 1 333.432 0.548 20 10 ECCDMP COc1ccc(N(C)CC[N@@H+](C)CCC(=O)N2CC[NH2+]CC2)cc1 ZINC000846225582 589191898 /nfs/dbraw/zinc/19/18/98/589191898.db2.gz PJINHNXWYRRMSE-UHFFFAOYSA-N 2 1 334.464 0.885 20 10 ECCDMP CN(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)CC2([NH+](C)C)CC2)cc1 ZINC000866757516 589769750 /nfs/dbraw/zinc/76/97/50/589769750.db2.gz WZONPZGEZZKCSX-OAHLLOKOSA-N 2 1 340.493 0.766 20 10 ECCDMP COc1ccc(N2CCN(C[C@@H](O)C[NH+]3CCC([NH3+])CC3)CC2)cc1 ZINC000923277114 611223435 /nfs/dbraw/zinc/22/34/35/611223435.db2.gz JYDVIECWUUXAET-SFHVURJKSA-N 2 1 348.491 0.601 20 10 ECCDMP COc1ccc(N2CCN(C[C@@H](O)C[N@H+]3CC[C@H](C[NH3+])C3)CC2)cc1 ZINC000923280892 611224003 /nfs/dbraw/zinc/22/40/03/611224003.db2.gz JROJAHXJJPBXNM-SJLPKXTDSA-N 2 1 348.491 0.459 20 10 ECCDMP COc1ccc(N2CC[NH+](CCNC(=O)[C@@H](C)[C@H](C)[NH3+])CC2)cc1 ZINC000276948879 437179786 /nfs/dbraw/zinc/17/97/86/437179786.db2.gz DLVZCIOSSBIPMA-GJZGRUSLSA-N 2 1 334.464 0.917 20 10 ECCDMP COc1ccc(N2CC[NH+](CCNC(=O)N[C@@H](C)[C@H](C)[NH3+])CC2)cc1 ZINC000841749741 588999790 /nfs/dbraw/zinc/99/97/90/588999790.db2.gz IEAPKWIBLWJFPF-GJZGRUSLSA-N 2 1 349.479 0.852 20 10 ECCDMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000843047925 589047745 /nfs/dbraw/zinc/04/77/45/589047745.db2.gz BXBYGWKQGOQVKW-KRWDZBQOSA-N 2 1 346.475 0.810 20 10 ECCDMP COC(=O)[C@@H]1C[C@H](O)C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000843433638 589066925 /nfs/dbraw/zinc/06/69/25/589066925.db2.gz BQAZSXZXTIFJDP-AEFFLSMTSA-N 2 1 347.459 0.794 20 10 ECCDMP COc1ccc(N2CC[NH+](CCNC(=O)[C@@H]3CC[NH2+][C@H]3C)CC2)cc1 ZINC000829507019 588327620 /nfs/dbraw/zinc/32/76/20/588327620.db2.gz ZWFXMRQIFXRVEQ-MAUKXSAKSA-N 2 1 346.475 0.931 20 10 ECCDMP C[NH+]1CCN(c2ccc(CN3CC([N@H+]4CC[C@@H](O)C4)C3)cc2)CC1 ZINC000846067484 589183620 /nfs/dbraw/zinc/18/36/20/589183620.db2.gz GITZVWIZLMMKAS-LJQANCHMSA-N 2 1 330.476 0.689 20 10 ECCDMP COc1ccc(N2CC[NH+](CCNC(=O)[C@@H]3OCC[C@@H]3[NH3+])CC2)cc1 ZINC000876781997 590414647 /nfs/dbraw/zinc/41/46/47/590414647.db2.gz KWAGLOVSKYCPHN-DLBZAZTESA-N 2 1 348.447 0.050 20 10 ECCDMP COc1ccc(N2CC[NH+](CCNC(=O)[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000269299537 436657187 /nfs/dbraw/zinc/65/71/87/436657187.db2.gz PXEWYDPSIDHHJZ-HNNXBMFYSA-N 2 1 332.448 0.543 20 10 ECCDMP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccc(N2CCOCC2)cc1 ZINC000843047422 589047891 /nfs/dbraw/zinc/04/78/91/589047891.db2.gz UVOVQSYGCQBNIS-UHFFFAOYSA-N 2 1 332.448 0.387 20 10 ECCDMP COc1ccc(N2CC[NH+](CCNC(=O)C3(C)C[NH2+]C3)CC2)cc1 ZINC000829500960 588327258 /nfs/dbraw/zinc/32/72/58/588327258.db2.gz VGBQLHCESQLZHH-UHFFFAOYSA-N 2 1 332.448 0.543 20 10 ECCDMP COc1ccc(N2CCN(C[C@@H](O)C[N@@H+](C)CCC[NH3+])CC2)cc1 ZINC000923290757 611225493 /nfs/dbraw/zinc/22/54/93/611225493.db2.gz KTTPHXPGBYMUJJ-KRWDZBQOSA-N 2 1 336.480 0.459 20 10 ECCDMP COc1ccc(N2CC[NH+](C[C@@H](O)CN(C)CCC[NH3+])CC2)cc1 ZINC000923290757 611225495 /nfs/dbraw/zinc/22/54/95/611225495.db2.gz KTTPHXPGBYMUJJ-KRWDZBQOSA-N 2 1 336.480 0.459 20 10 ECCDMP C[NH+]1CCN(c2ccc(CNC(=O)CC[NH+]3CCOCC3)cc2)CC1 ZINC000881852028 590481342 /nfs/dbraw/zinc/48/13/42/590481342.db2.gz VOKNFGVDZJBXAE-UHFFFAOYSA-N 2 1 346.475 0.777 20 10 ECCDMP COc1ccc(N2CC[NH+](CCNC(=O)N[C@H](C)[C@@H](C)[NH3+])CC2)cc1 ZINC000841749742 588999806 /nfs/dbraw/zinc/99/98/06/588999806.db2.gz IEAPKWIBLWJFPF-HUUCEWRRSA-N 2 1 349.479 0.852 20 10 ECCDMP COc1ccc(N2CC[NH+](CCNC(=O)N(C)CC[NH3+])CC2)cc1 ZINC000841749688 588999885 /nfs/dbraw/zinc/99/98/85/588999885.db2.gz GXDGVTDUOXBSJK-UHFFFAOYSA-N 2 1 335.452 0.417 20 10 ECCDMP COc1ccc(N2CC[NH+](CCNC(=O)N[C@H](C)CC[NH3+])CC2)cc1 ZINC000841751408 588999938 /nfs/dbraw/zinc/99/99/38/588999938.db2.gz YDSKKUZZTVWYPD-OAHLLOKOSA-N 2 1 349.479 0.854 20 10 ECCDMP CN1CCN(c2ccc(C[NH2+]CCCN3CC[NH2+]CC3)cc2)CC1 ZINC000841029932 586350217 /nfs/dbraw/zinc/35/02/17/586350217.db2.gz PCMYKTJKWXTATN-UHFFFAOYSA-N 2 1 331.508 0.823 20 10 ECCDMP C[C@@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[N@H+]1CCO ZINC000779213727 579314229 /nfs/dbraw/zinc/31/42/29/579314229.db2.gz MWCHFYRMYGMOEK-QGZVFWFLSA-N 2 1 332.492 0.937 20 10 ECCDMP C[C@@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCN1CCO ZINC000779213727 579314230 /nfs/dbraw/zinc/31/42/30/579314230.db2.gz MWCHFYRMYGMOEK-QGZVFWFLSA-N 2 1 332.492 0.937 20 10 ECCDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCN1CCO ZINC000779213727 579314231 /nfs/dbraw/zinc/31/42/31/579314231.db2.gz MWCHFYRMYGMOEK-QGZVFWFLSA-N 2 1 332.492 0.937 20 10 ECCDMP COc1ccc(N2CC[NH+](CCNC(=O)N[C@@H](C)[C@@H](C)[NH3+])CC2)cc1 ZINC000841749740 588999903 /nfs/dbraw/zinc/99/99/03/588999903.db2.gz IEAPKWIBLWJFPF-CABCVRRESA-N 2 1 349.479 0.852 20 10 ECCDMP CN(C)c1ccc([C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)[NH+](C)C)cc1 ZINC000891254080 586156754 /nfs/dbraw/zinc/15/67/54/586156754.db2.gz VNJDMZZFTBRMNX-IRXDYDNUSA-N 2 1 334.464 0.802 20 10 ECCDMP CN(C)c1ccc([C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)[NH+](C)C)cc1 ZINC000891254080 586156756 /nfs/dbraw/zinc/15/67/56/586156756.db2.gz VNJDMZZFTBRMNX-IRXDYDNUSA-N 2 1 334.464 0.802 20 10 ECCDMP C[NH+]1CCN(c2ccc(CN3CC[N@H+]4C[C@H](O)C[C@H]4C3)cc2)CC1 ZINC000848926204 589315893 /nfs/dbraw/zinc/31/58/93/589315893.db2.gz MZDFPVZGIKGVPE-RBUKOAKNSA-N 2 1 330.476 0.689 20 10 ECCDMP C[N@H+]1CC[C@@H]1CNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000924007530 611382129 /nfs/dbraw/zinc/38/21/29/611382129.db2.gz NVSKNPHFGVJMSK-QGZVFWFLSA-N 2 1 331.464 0.942 20 10 ECCDMP COc1ccc(N2CC[NH+](CCNC(=O)N[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000841751035 588999932 /nfs/dbraw/zinc/99/99/32/588999932.db2.gz VKEUMLZXUNFSPU-OAHLLOKOSA-N 2 1 347.463 0.478 20 10 ECCDMP C[NH2+]CCCNC(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000841750156 588999975 /nfs/dbraw/zinc/99/99/75/588999975.db2.gz MNSWKAKZWRDLBD-UHFFFAOYSA-N 2 1 349.479 0.726 20 10 ECCDMP CN(C)c1ccc([C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)[NH+](C)C)cc1 ZINC000891254060 586156723 /nfs/dbraw/zinc/15/67/23/586156723.db2.gz VNJDMZZFTBRMNX-DLBZAZTESA-N 2 1 334.464 0.802 20 10 ECCDMP CN(C)c1ccc([C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)[NH+](C)C)cc1 ZINC000891254060 586156725 /nfs/dbraw/zinc/15/67/25/586156725.db2.gz VNJDMZZFTBRMNX-DLBZAZTESA-N 2 1 334.464 0.802 20 10 ECCDMP COc1ccc(N2CC[NH+](CCNC(=O)[C@H]3CC[N@H+](C)C3)CC2)cc1 ZINC000729921680 578300066 /nfs/dbraw/zinc/30/00/66/578300066.db2.gz SBVPMKMLGLZFMY-INIZCTEOSA-N 2 1 346.475 0.885 20 10 ECCDMP COc1ccc(N2CC[NH+](CCNC(=O)[C@H]3CC[N@@H+](C)C3)CC2)cc1 ZINC000729921680 578300067 /nfs/dbraw/zinc/30/00/67/578300067.db2.gz SBVPMKMLGLZFMY-INIZCTEOSA-N 2 1 346.475 0.885 20 10 ECCDMP COCC[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H](C)C(N)=O ZINC000775680517 579269752 /nfs/dbraw/zinc/26/97/52/579269752.db2.gz FWAMRHCSZFGACP-HNNXBMFYSA-N 2 1 334.464 0.761 20 10 ECCDMP COCC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H](C)C(N)=O ZINC000775680517 579269753 /nfs/dbraw/zinc/26/97/53/579269753.db2.gz FWAMRHCSZFGACP-HNNXBMFYSA-N 2 1 334.464 0.761 20 10 ECCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCN4C(=O)NC[C@H]4C3)cc2)CC1 ZINC000775736758 579270611 /nfs/dbraw/zinc/27/06/11/579270611.db2.gz JOILOJUUAPCXMS-KRWDZBQOSA-N 2 1 329.448 0.648 20 10 ECCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCN4C(=O)NC[C@H]4C3)cc2)CC1 ZINC000775736758 579270613 /nfs/dbraw/zinc/27/06/13/579270613.db2.gz JOILOJUUAPCXMS-KRWDZBQOSA-N 2 1 329.448 0.648 20 10 ECCDMP C[NH2+]CCNC(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000841749129 588999842 /nfs/dbraw/zinc/99/98/42/588999842.db2.gz AKBMQXRBIQDDOX-UHFFFAOYSA-N 2 1 335.452 0.336 20 10 ECCDMP C[C@H]1C[N@@H+](CCO)CCN1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000825336870 587933512 /nfs/dbraw/zinc/93/35/12/587933512.db2.gz AEOQEVIGVQQKOB-KRWDZBQOSA-N 2 1 332.492 0.937 20 10 ECCDMP C[C@H]1CN(CCO)CC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000825336870 587933513 /nfs/dbraw/zinc/93/35/13/587933513.db2.gz AEOQEVIGVQQKOB-KRWDZBQOSA-N 2 1 332.492 0.937 20 10 ECCDMP C[C@H]1CN(CCO)CC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000825336870 587933514 /nfs/dbraw/zinc/93/35/14/587933514.db2.gz AEOQEVIGVQQKOB-KRWDZBQOSA-N 2 1 332.492 0.937 20 10 ECCDMP C[N@H+](CC(=O)N1CCOCC1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775647379 579269362 /nfs/dbraw/zinc/26/93/62/579269362.db2.gz WATCSHSKECKABS-UHFFFAOYSA-N 2 1 346.475 0.729 20 10 ECCDMP C[N@@H+](CC(=O)N1CCOCC1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775647379 579269363 /nfs/dbraw/zinc/26/93/63/579269363.db2.gz WATCSHSKECKABS-UHFFFAOYSA-N 2 1 346.475 0.729 20 10 ECCDMP COc1ccc(N2CC[NH+](CCNC(=O)N3CC[C@H]([NH3+])C3)CC2)cc1 ZINC000841750600 588999733 /nfs/dbraw/zinc/99/97/33/588999733.db2.gz SNOSFFXHLOSLRC-HNNXBMFYSA-N 2 1 347.463 0.560 20 10 ECCDMP COc1ccc(N2CC[NH+](CCNC(=O)NC[C@H](C)[NH3+])CC2)cc1 ZINC000841751475 588999982 /nfs/dbraw/zinc/99/99/82/588999982.db2.gz ZHWUPQMKFGUBIF-AWEZNQCLSA-N 2 1 335.452 0.464 20 10 ECCDMP C[C@H](C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)N1CC[NH+](C)CC1 ZINC000843297013 589059942 /nfs/dbraw/zinc/05/99/42/589059942.db2.gz DZESQMQYKJVPLG-PBHICJAKSA-N 2 1 333.480 0.505 20 10 ECCDMP C[N@H+](CCS(N)(=O)=O)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000877827485 590483684 /nfs/dbraw/zinc/48/36/84/590483684.db2.gz XLCSKZBDTTXAPH-UHFFFAOYSA-N 2 1 326.466 0.159 20 10 ECCDMP C[N@@H+](CCS(N)(=O)=O)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000877827485 590483686 /nfs/dbraw/zinc/48/36/86/590483686.db2.gz XLCSKZBDTTXAPH-UHFFFAOYSA-N 2 1 326.466 0.159 20 10 ECCDMP COc1ccc(N2CC[NH+](CCN3CC[NH2+]CC3)CC2)c(OC)c1 ZINC000866697583 589759033 /nfs/dbraw/zinc/75/90/33/589759033.db2.gz SMVWKHHKHWIFPR-UHFFFAOYSA-N 2 1 334.464 0.731 20 10 ECCDMP O=C([C@@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1)N1CC[NH2+]CC1 ZINC000843047537 589047780 /nfs/dbraw/zinc/04/77/80/589047780.db2.gz VIRDCBUCWQRLAU-CYBMUJFWSA-N 2 1 347.415 0.765 20 10 ECCDMP COc1ccc(N2CC[NH+](CCNC(=O)NC[C@@H](C)C[NH3+])CC2)cc1 ZINC000841751065 588999662 /nfs/dbraw/zinc/99/96/62/588999662.db2.gz WBYMBYSTOJQDIT-HNNXBMFYSA-N 2 1 349.479 0.711 20 10 ECCDMP C[NH+]1CCN(c2ccc(CNC(=O)NCC(F)(F)C[NH3+])cc2)CC1 ZINC000892065345 586218921 /nfs/dbraw/zinc/21/89/21/586218921.db2.gz OYQCSOSHGUYIDE-UHFFFAOYSA-N 2 1 341.406 0.832 20 10 ECCDMP COc1ccc(N2CC[NH+](CCNC(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)CC2)cc1 ZINC000844190351 589101608 /nfs/dbraw/zinc/10/16/08/589101608.db2.gz JPBYJGPDLSQIIZ-PIIMJCKOSA-N 2 1 344.459 0.399 20 10 ECCDMP COc1ccc(N2CC[NH+](CCNC(=O)CCC3C[NH2+]C3)CC2)cc1 ZINC000876782471 590414425 /nfs/dbraw/zinc/41/44/25/590414425.db2.gz SIGIJQJDIFZZPH-UHFFFAOYSA-N 2 1 346.475 0.933 20 10 ECCDMP C[NH2+]CCN(C)C(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000841750142 588999703 /nfs/dbraw/zinc/99/97/03/588999703.db2.gz MDMSIUPBHQYGCX-UHFFFAOYSA-N 2 1 349.479 0.678 20 10 ECCDMP C[NH+]1CCN(CC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000881851667 590480495 /nfs/dbraw/zinc/48/04/95/590480495.db2.gz OFNGXEBPXBPHDE-UHFFFAOYSA-N 2 1 345.491 0.302 20 10 ECCDMP COc1ccc(N2CCN(C(=O)C[N@@H+]3CC[C@@H](C[NH3+])C3)CC2)cc1 ZINC000844219577 589103759 /nfs/dbraw/zinc/10/37/59/589103759.db2.gz LDWZFUQSAXDAMS-HNNXBMFYSA-N 2 1 332.448 0.624 20 10 ECCDMP COc1ccc(N2CCN(C(=O)C[N@H+]3CC[C@@H](C[NH3+])C3)CC2)cc1 ZINC000844219577 589103760 /nfs/dbraw/zinc/10/37/60/589103760.db2.gz LDWZFUQSAXDAMS-HNNXBMFYSA-N 2 1 332.448 0.624 20 10 ECCDMP CN1CCN(c2ccc(C[NH2+]CC3(O)CC[NH+](C)CC3)cc2)CC1 ZINC000771843656 579196709 /nfs/dbraw/zinc/19/67/09/579196709.db2.gz UMLNTXPXISBGRK-UHFFFAOYSA-N 2 1 332.492 0.985 20 10 ECCDMP COc1ccc(N2CC[NH+](CCNC(=O)N(C)CCC[NH3+])CC2)cc1 ZINC000841749895 588999632 /nfs/dbraw/zinc/99/96/32/588999632.db2.gz JKWARFBVOIKCCL-UHFFFAOYSA-N 2 1 349.479 0.807 20 10 ECCDMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000872255277 590108445 /nfs/dbraw/zinc/10/84/45/590108445.db2.gz UHIVBNRQXQIXAO-HSMVNMDESA-N 2 1 347.371 0.488 20 10 ECCDMP COc1cccc(O)c1C[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872255215 590108257 /nfs/dbraw/zinc/10/82/57/590108257.db2.gz RLCNIGSSEIFLCF-GHJWDPDVSA-N 2 1 333.388 0.768 20 10 ECCDMP COc1ccc(N2CC[NH+](CCNC(=O)C3([NH3+])CCC3)CC2)cc1 ZINC000829499618 588327168 /nfs/dbraw/zinc/32/71/68/588327168.db2.gz BLTBULVKGJBEPY-UHFFFAOYSA-N 2 1 332.448 0.815 20 10 ECCDMP CN(C)c1ccc(CN(C)C(=O)C[N@H+](C)CCN2CC[NH2+]CC2)cc1 ZINC000844218421 589103777 /nfs/dbraw/zinc/10/37/77/589103777.db2.gz ABVJNXBMKHXFKE-UHFFFAOYSA-N 2 1 347.507 0.548 20 10 ECCDMP CN(C)c1ccc(CN(C)C(=O)C[N@@H+](C)CCN2CC[NH2+]CC2)cc1 ZINC000844218421 589103778 /nfs/dbraw/zinc/10/37/78/589103778.db2.gz ABVJNXBMKHXFKE-UHFFFAOYSA-N 2 1 347.507 0.548 20 10 ECCDMP C[NH2+]C[C@H](C)NC(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000851656181 589410437 /nfs/dbraw/zinc/41/04/37/589410437.db2.gz ICMDNEBJXPBSOD-HNNXBMFYSA-N 2 1 349.479 0.724 20 10 ECCDMP C[NH2+]CCCC(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000269316161 254528793 /nfs/dbraw/zinc/52/87/93/254528793.db2.gz ZSVYHGGLPOWRQY-UHFFFAOYSA-N 2 1 334.464 0.933 20 10 ECCDMP COc1ccc(N2CC[NH+](CCNC(=O)[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000269297720 436654839 /nfs/dbraw/zinc/65/48/39/436654839.db2.gz OVOHOXNMOMSBGX-MRXNPFEDSA-N 2 1 346.475 0.933 20 10 ECCDMP COc1ccc(N2CC[NH+](CCNC(=O)NCC[C@H](C)[NH3+])CC2)cc1 ZINC000841749531 588999667 /nfs/dbraw/zinc/99/96/67/588999667.db2.gz FVXOUCPGOKBOHN-HNNXBMFYSA-N 2 1 349.479 0.854 20 10 ECCDMP COc1ccc(N2CC[NH+](CCNC(=O)N[C@H](C)C[NH3+])CC2)cc1 ZINC000841750393 588999942 /nfs/dbraw/zinc/99/99/42/588999942.db2.gz PRAKSTTXIATYMI-CQSZACIVSA-N 2 1 335.452 0.464 20 10 ECCDMP COc1ccc(N2CC[NH+](CCNC(=O)NCCC[NH3+])CC2)cc1 ZINC000841750550 588999831 /nfs/dbraw/zinc/99/98/31/588999831.db2.gz RXKNIGQVNXUFGM-UHFFFAOYSA-N 2 1 335.452 0.465 20 10 ECCDMP COc1cc(O)c(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1OC ZINC000843048094 589047846 /nfs/dbraw/zinc/04/78/46/589047846.db2.gz MSACJGSWVDYNLQ-LBPRGKRZSA-N 2 1 337.420 0.696 20 10 ECCDMP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000918829663 610019801 /nfs/dbraw/zinc/01/98/01/610019801.db2.gz DWNYJPAJTHECTH-MJGOQNOKSA-N 2 1 346.475 0.510 20 10 ECCDMP COc1ccc(N2CC[NH+](CCNC(=O)NC(C)(C)C[NH3+])CC2)cc1 ZINC000841749950 588999826 /nfs/dbraw/zinc/99/98/26/588999826.db2.gz KQJITUJJSHPVSM-UHFFFAOYSA-N 2 1 349.479 0.854 20 10 ECCDMP C[NH2+]C[C@@H](C)NC(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000851656182 589410533 /nfs/dbraw/zinc/41/05/33/589410533.db2.gz ICMDNEBJXPBSOD-OAHLLOKOSA-N 2 1 349.479 0.724 20 10 ECCDMP COc1ccc(N2CC[NH+](CCNC(=O)[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000269299539 436656534 /nfs/dbraw/zinc/65/65/34/436656534.db2.gz PXEWYDPSIDHHJZ-OAHLLOKOSA-N 2 1 332.448 0.543 20 10 ECCDMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000843122829 589051811 /nfs/dbraw/zinc/05/18/11/589051811.db2.gz VNQHJYBXHGSQQA-ZDUSSCGKSA-N 2 1 335.404 0.940 20 10 ECCDMP C[NH+]1CCN(c2ccc(CN3CCN([C@H]4CC[NH2+]C4)CC3)cc2)CC1 ZINC000843124451 589051932 /nfs/dbraw/zinc/05/19/32/589051932.db2.gz AZKIHGKMAQXKJO-FQEVSTJZSA-N 2 1 343.519 0.918 20 10 ECCDMP COC(=O)[C@H]1C[C@H](O)C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000843433641 589066648 /nfs/dbraw/zinc/06/66/48/589066648.db2.gz BQAZSXZXTIFJDP-WMZOPIPTSA-N 2 1 347.459 0.794 20 10 ECCDMP COc1ccc(N2CCN(C[C@H](O)C[N@@H+](C)CCC[NH3+])CC2)cc1 ZINC000923290759 611225395 /nfs/dbraw/zinc/22/53/95/611225395.db2.gz KTTPHXPGBYMUJJ-QGZVFWFLSA-N 2 1 336.480 0.459 20 10 ECCDMP COc1ccc(N2CC[NH+](C[C@H](O)CN(C)CCC[NH3+])CC2)cc1 ZINC000923290759 611225397 /nfs/dbraw/zinc/22/53/97/611225397.db2.gz KTTPHXPGBYMUJJ-QGZVFWFLSA-N 2 1 336.480 0.459 20 10 ECCDMP CN(C)c1ccc(CN(C)C(=O)CN2CC[NH2+]CC[NH2+]CC2)cc1 ZINC000923462587 611247079 /nfs/dbraw/zinc/24/70/79/611247079.db2.gz LPNSIZSBSIYTMJ-UHFFFAOYSA-N 2 1 333.480 0.206 20 10 ECCDMP COc1ccc(N2CC[NH+](CCNC(=O)N(C)[C@H](C)C[NH3+])CC2)cc1 ZINC000841750527 588999658 /nfs/dbraw/zinc/99/96/58/588999658.db2.gz RQTXAPGXRGSQCV-OAHLLOKOSA-N 2 1 349.479 0.806 20 10 ECCDMP CN(C)c1ccc([C@@H](CNC(=O)CN2CC[NH+](C)CC2)[NH+](C)C)cc1 ZINC000891254522 586156785 /nfs/dbraw/zinc/15/67/85/586156785.db2.gz YRYIJHVCQKGFDQ-GOSISDBHSA-N 2 1 347.507 0.719 20 10 ECCDMP C[NH2+][C@@H](C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1cnn(C)c1 ZINC000832272966 588477535 /nfs/dbraw/zinc/47/75/35/588477535.db2.gz KQBQNICIFILCQF-HZPDHXFCSA-N 2 1 330.436 0.563 20 10 ECCDMP CN(C)c1ccc(CNC(=O)C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000844225810 589103970 /nfs/dbraw/zinc/10/39/70/589103970.db2.gz VNPVSWRABYHDIJ-SFHVURJKSA-N 2 1 345.491 0.348 20 10 ECCDMP COc1cccc(C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1O ZINC000872255239 590108407 /nfs/dbraw/zinc/10/84/07/590108407.db2.gz SATASOJTSZBFRK-NFAWXSAZSA-N 2 1 333.388 0.768 20 10 ECCDMP C[NH2+]C[C@H](C)C(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000269239785 437472913 /nfs/dbraw/zinc/47/29/13/437472913.db2.gz ARTDEFZRJCPYEA-HNNXBMFYSA-N 2 1 334.464 0.789 20 10 ECCDMP COc1ccc(N2CC[NH+](CCNC(=O)N[C@@H](C)CC[NH3+])CC2)cc1 ZINC000841751407 588999896 /nfs/dbraw/zinc/99/98/96/588999896.db2.gz YDSKKUZZTVWYPD-HNNXBMFYSA-N 2 1 349.479 0.854 20 10 ECCDMP C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3C[N@H+](C)CCO3)cc2)CC1 ZINC000881850844 590480663 /nfs/dbraw/zinc/48/06/63/590480663.db2.gz HXSNGZIVPNILBR-QGZVFWFLSA-N 2 1 332.448 0.385 20 10 ECCDMP C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3C[N@@H+](C)CCO3)cc2)CC1 ZINC000881850844 590480668 /nfs/dbraw/zinc/48/06/68/590480668.db2.gz HXSNGZIVPNILBR-QGZVFWFLSA-N 2 1 332.448 0.385 20 10 ECCDMP COc1ccc(N2CC[NH+](CCNC(=O)[C@@]3(C)CC[NH2+]C3)CC2)cc1 ZINC000269241291 437472155 /nfs/dbraw/zinc/47/21/55/437472155.db2.gz BKAPWCMKNVUIEI-IBGZPJMESA-N 2 1 346.475 0.933 20 10 ECCDMP COc1ccc(N2CC[NH+](CCNC(=O)C3=CC[C@H]([NH3+])C3)CC2)cc1 ZINC000876781524 590414233 /nfs/dbraw/zinc/41/42/33/590414233.db2.gz HVXBAYRVKGOCRI-INIZCTEOSA-N 2 1 344.459 0.981 20 10 ECCDMP COc1ccc(N2CCN(C[C@H](O)C[N@H+](C)C3CC([NH3+])C3)CC2)cc1 ZINC000923363317 611233733 /nfs/dbraw/zinc/23/37/33/611233733.db2.gz RRYYMXAZEAATCU-VMWRSERWSA-N 2 1 348.491 0.600 20 10 ECCDMP COc1ccc(N2CCN(C[C@H](O)C[N@@H+](C)C3CC([NH3+])C3)CC2)cc1 ZINC000923363317 611233736 /nfs/dbraw/zinc/23/37/36/611233736.db2.gz RRYYMXAZEAATCU-VMWRSERWSA-N 2 1 348.491 0.600 20 10 ECCDMP COc1ccc(N2CC[NH+](CCNC(=O)NCC(C)(C)[NH3+])CC2)cc1 ZINC000841750989 588999794 /nfs/dbraw/zinc/99/97/94/588999794.db2.gz UTGVOMYQTYWRCK-UHFFFAOYSA-N 2 1 349.479 0.854 20 10 ECCDMP COc1ccc(N2CC[NH+](CCNC(=O)NCC3C[NH2+]C3)CC2)cc1 ZINC000841750137 588999853 /nfs/dbraw/zinc/99/98/53/588999853.db2.gz MBIPQTSFUUFHOO-UHFFFAOYSA-N 2 1 347.463 0.336 20 10 ECCDMP CN(C)c1ccc([C@H](CNC(=O)CN2CC[NH+](C)CC2)[NH+](C)C)cc1 ZINC000891254523 586156833 /nfs/dbraw/zinc/15/68/33/586156833.db2.gz YRYIJHVCQKGFDQ-SFHVURJKSA-N 2 1 347.507 0.719 20 10 ECCDMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000843047926 589047750 /nfs/dbraw/zinc/04/77/50/589047750.db2.gz BXBYGWKQGOQVKW-QGZVFWFLSA-N 2 1 346.475 0.810 20 10 ECCDMP COc1ccc(N2CC[NH+](CCNC(=O)[C@H]3CC[NH2+][C@H]3C)CC2)cc1 ZINC000829507021 588327427 /nfs/dbraw/zinc/32/74/27/588327427.db2.gz ZWFXMRQIFXRVEQ-YJBOKZPZSA-N 2 1 346.475 0.931 20 10 ECCDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H]4C(=O)NC(=O)[C@@H]4C3)cc2)CC1 ZINC000824893600 587901465 /nfs/dbraw/zinc/90/14/65/587901465.db2.gz WNHQIZKJTRBSOG-IYBDPMFKSA-N 2 1 328.416 0.143 20 10 ECCDMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000872255278 590108668 /nfs/dbraw/zinc/10/86/68/590108668.db2.gz UHIVBNRQXQIXAO-OZVIIMIRSA-N 2 1 347.371 0.488 20 10 ECCDMP COc1c(O)c(C[NH2+]CC2(O)CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000278487323 437316259 /nfs/dbraw/zinc/31/62/59/437316259.db2.gz KQMNNJUNAKBRNV-UHFFFAOYSA-N 2 1 325.365 0.855 20 10 ECCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCN4C(=O)NC[C@@H]4C3)cc2)CC1 ZINC000775736772 579270632 /nfs/dbraw/zinc/27/06/32/579270632.db2.gz JOILOJUUAPCXMS-QGZVFWFLSA-N 2 1 329.448 0.648 20 10 ECCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCN4C(=O)NC[C@@H]4C3)cc2)CC1 ZINC000775736772 579270633 /nfs/dbraw/zinc/27/06/33/579270633.db2.gz JOILOJUUAPCXMS-QGZVFWFLSA-N 2 1 329.448 0.648 20 10 ECCDMP CCN1CC[NH+](CCC(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)CC1 ZINC000844163319 589097079 /nfs/dbraw/zinc/09/70/79/589097079.db2.gz YTVMGFBZYWZIKE-GOSISDBHSA-N 2 1 347.507 0.896 20 10 ECCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCO[C@H](CC(N)=O)C3)cc2)CC1 ZINC000862535697 589942327 /nfs/dbraw/zinc/94/23/27/589942327.db2.gz WNHFGRQBRYWCNT-QGZVFWFLSA-N 2 1 332.448 0.515 20 10 ECCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCO[C@H](CC(N)=O)C3)cc2)CC1 ZINC000862535697 589942328 /nfs/dbraw/zinc/94/23/28/589942328.db2.gz WNHFGRQBRYWCNT-QGZVFWFLSA-N 2 1 332.448 0.515 20 10 ECCDMP CN(C)c1ccc(CNC(=O)C[NH+]2CCC(O)(C[NH+](C)C)CC2)cc1 ZINC000931484616 611545155 /nfs/dbraw/zinc/54/51/55/611545155.db2.gz OBQWUPONWCMVCH-UHFFFAOYSA-N 2 1 348.491 0.757 20 10 ECCDMP COc1ccc(N2CCN(C[C@H](O)C[N@H+]3CC[C@H](C[NH3+])C3)CC2)cc1 ZINC000923280887 611224038 /nfs/dbraw/zinc/22/40/38/611224038.db2.gz JROJAHXJJPBXNM-AEFFLSMTSA-N 2 1 348.491 0.459 20 10 ECCDMP