smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000556792763 302448241 /nfs/dbraw/zinc/44/82/41/302448241.db2.gz VLASWCXRJKZZEW-UHFFFAOYSA-N 2 1 331.336 0.717 20 5 ECBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000305087426 437161107 /nfs/dbraw/zinc/16/11/07/437161107.db2.gz OJDNTFBQTKBQLI-OAHLLOKOSA-N 2 1 332.364 0.369 20 5 ECBDMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000366127772 438023687 /nfs/dbraw/zinc/02/36/87/438023687.db2.gz PNZXHUIGMMMNFG-GFCCVEGCSA-N 2 1 333.392 0.888 20 5 ECBDMP [NH3+][C@H]1C[C@@H]2C[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000565238829 438935690 /nfs/dbraw/zinc/93/56/90/438935690.db2.gz IHIQQXIABPKGTO-NEPJUHHUSA-N 2 1 347.375 0.167 20 5 ECBDMP [NH3+][C@H]1C[C@@H]2C[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000565238829 438935695 /nfs/dbraw/zinc/93/56/95/438935695.db2.gz IHIQQXIABPKGTO-NEPJUHHUSA-N 2 1 347.375 0.167 20 5 ECBDMP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000592471971 439234790 /nfs/dbraw/zinc/23/47/90/439234790.db2.gz AKUAZTSYRBWGDH-ZDUSSCGKSA-N 2 1 335.408 0.759 20 5 ECBDMP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000592471971 439234797 /nfs/dbraw/zinc/23/47/97/439234797.db2.gz AKUAZTSYRBWGDH-ZDUSSCGKSA-N 2 1 335.408 0.759 20 5 ECBDMP O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000582063254 439286039 /nfs/dbraw/zinc/28/60/39/439286039.db2.gz VRXCMNVLPDRDKM-KBPBESRZSA-N 2 1 339.392 0.381 20 5 ECBDMP O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)cn1 ZINC000903724512 586802107 /nfs/dbraw/zinc/80/21/07/586802107.db2.gz OETXFIVXDRPSLO-WBVHZDCISA-N 2 1 347.419 0.880 20 5 ECBDMP C[NH+](C)/C=C/c1cc(N2CCN3CC[NH2+]C[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164406675 718838808 /nfs/dbraw/zinc/83/88/08/718838808.db2.gz UDTRAYUPIFFDQY-KQIUPUNMSA-N 2 1 332.408 0.616 20 5 ECBDMP CN1CCC([N@H+]2CC[C@@H](NC(=O)c3cc([N+](=O)[O-])cnc3N)C2)CC1 ZINC000363869552 300301411 /nfs/dbraw/zinc/30/14/11/300301411.db2.gz RISWRALBVJBVFF-LLVKDONJSA-N 2 1 348.407 0.470 20 5 ECBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)c1 ZINC000075766783 436176546 /nfs/dbraw/zinc/17/65/46/436176546.db2.gz HBBLLCSMWUJGHS-DTZQCDIJSA-N 2 1 335.408 0.568 20 5 ECBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)c1 ZINC000075766783 436176548 /nfs/dbraw/zinc/17/65/48/436176548.db2.gz HBBLLCSMWUJGHS-DTZQCDIJSA-N 2 1 335.408 0.568 20 5 ECBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)c1 ZINC000075766783 436176556 /nfs/dbraw/zinc/17/65/56/436176556.db2.gz HBBLLCSMWUJGHS-DTZQCDIJSA-N 2 1 335.408 0.568 20 5 ECBDMP C[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378424566 438384304 /nfs/dbraw/zinc/38/43/04/438384304.db2.gz FBXFRZCKYFHGOD-OAHLLOKOSA-N 2 1 336.440 0.892 20 5 ECBDMP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000422936902 438618136 /nfs/dbraw/zinc/61/81/36/438618136.db2.gz NEWVWTMQGAZTNG-STQMWFEESA-N 2 1 328.394 0.343 20 5 ECBDMP O=C([C@@H]1CCC[N@H+](Cc2cccnc2[N+](=O)[O-])C1)N1CC[NH2+]CC1 ZINC000886827815 590886887 /nfs/dbraw/zinc/88/68/87/590886887.db2.gz SAQNZVINLCQFOB-CQSZACIVSA-N 2 1 333.392 0.634 20 5 ECBDMP CCC[NH+]1CCC([N@@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000072630349 436048126 /nfs/dbraw/zinc/04/81/26/436048126.db2.gz GTHCIXFLURNIKM-OAHLLOKOSA-N 2 1 325.413 0.958 20 5 ECBDMP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@H]1C[NH2+]CCN1C ZINC000423478941 438680512 /nfs/dbraw/zinc/68/05/12/438680512.db2.gz NILXWWPYPFSNHE-IUODEOHRSA-N 2 1 335.408 0.805 20 5 ECBDMP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000423478941 438680518 /nfs/dbraw/zinc/68/05/18/438680518.db2.gz NILXWWPYPFSNHE-IUODEOHRSA-N 2 1 335.408 0.805 20 5 ECBDMP Cn1cc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)c([N+](=O)[O-])n1 ZINC000602450277 439089163 /nfs/dbraw/zinc/08/91/63/439089163.db2.gz KIWCLUMJZRURAI-UHFFFAOYSA-N 2 1 338.412 0.218 20 5 ECBDMP C[N@H+](CCN1CC[NH2+]CC1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000592428461 439226454 /nfs/dbraw/zinc/22/64/54/439226454.db2.gz PVHGFPYHRCPDAB-UHFFFAOYSA-N 2 1 336.392 0.703 20 5 ECBDMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000592428461 439226456 /nfs/dbraw/zinc/22/64/56/439226456.db2.gz PVHGFPYHRCPDAB-UHFFFAOYSA-N 2 1 336.392 0.703 20 5 ECBDMP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000081569244 436351102 /nfs/dbraw/zinc/35/11/02/436351102.db2.gz NWDVHAIYFMTKOK-ZFWWWQNUSA-N 2 1 325.413 0.816 20 5 ECBDMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000081569244 436351106 /nfs/dbraw/zinc/35/11/06/436351106.db2.gz NWDVHAIYFMTKOK-ZFWWWQNUSA-N 2 1 325.413 0.816 20 5 ECBDMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000081569244 436351111 /nfs/dbraw/zinc/35/11/11/436351111.db2.gz NWDVHAIYFMTKOK-ZFWWWQNUSA-N 2 1 325.413 0.816 20 5 ECBDMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000081569244 436351114 /nfs/dbraw/zinc/35/11/14/436351114.db2.gz NWDVHAIYFMTKOK-ZFWWWQNUSA-N 2 1 325.413 0.816 20 5 ECBDMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000304418322 437160910 /nfs/dbraw/zinc/16/09/10/437160910.db2.gz FDQLSYRCZUQGMC-YUELXQCFSA-N 2 1 325.413 0.814 20 5 ECBDMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000304418322 437160912 /nfs/dbraw/zinc/16/09/12/437160912.db2.gz FDQLSYRCZUQGMC-YUELXQCFSA-N 2 1 325.413 0.814 20 5 ECBDMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000304418322 437160917 /nfs/dbraw/zinc/16/09/17/437160917.db2.gz FDQLSYRCZUQGMC-YUELXQCFSA-N 2 1 325.413 0.814 20 5 ECBDMP C[C@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000371300439 437914874 /nfs/dbraw/zinc/91/48/74/437914874.db2.gz ACZDKFNQPHPABV-LSDHHAIUSA-N 2 1 336.440 0.749 20 5 ECBDMP C[C@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000371300439 437914875 /nfs/dbraw/zinc/91/48/75/437914875.db2.gz ACZDKFNQPHPABV-LSDHHAIUSA-N 2 1 336.440 0.749 20 5 ECBDMP O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)C2)nc1 ZINC000595885391 438876551 /nfs/dbraw/zinc/87/65/51/438876551.db2.gz NIJWNYZNKKEMCW-JSGCOSHPSA-N 2 1 333.392 0.997 20 5 ECBDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000596364431 438957819 /nfs/dbraw/zinc/95/78/19/438957819.db2.gz OASCWUWZVHNAMZ-NSHDSACASA-N 2 1 338.412 0.773 20 5 ECBDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000596364431 438957824 /nfs/dbraw/zinc/95/78/24/438957824.db2.gz OASCWUWZVHNAMZ-NSHDSACASA-N 2 1 338.412 0.773 20 5 ECBDMP O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000582063256 439287033 /nfs/dbraw/zinc/28/70/33/439287033.db2.gz VRXCMNVLPDRDKM-UONOGXRCSA-N 2 1 339.392 0.381 20 5 ECBDMP O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000923387102 611236522 /nfs/dbraw/zinc/23/65/22/611236522.db2.gz UAQJCUHPOAVESR-HOCLYGCPSA-N 2 1 337.424 0.864 20 5 ECBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000923387100 611236761 /nfs/dbraw/zinc/23/67/61/611236761.db2.gz UAQJCUHPOAVESR-GDBMZVCRSA-N 2 1 337.424 0.864 20 5 ECBDMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C1 ZINC001021053688 752483588 /nfs/dbraw/zinc/48/35/88/752483588.db2.gz VNEFRKWBPCZPAV-HAQNSBGRSA-N 2 1 347.379 0.270 20 5 ECBDMP C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(=O)N1CC[NH2+]CC1 ZINC000430628382 210392861 /nfs/dbraw/zinc/39/28/61/210392861.db2.gz OORCTPZPRJXRHJ-UHFFFAOYSA-N 2 1 349.391 0.287 20 5 ECBDMP O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000090552394 436432296 /nfs/dbraw/zinc/43/22/96/436432296.db2.gz KXZRYMZLSPJBRN-UHFFFAOYSA-N 2 1 329.360 0.974 20 5 ECBDMP CC(C)[NH+]1CCC([N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000304287091 437156104 /nfs/dbraw/zinc/15/61/04/437156104.db2.gz AYBZMEBFQNOHDZ-HNNXBMFYSA-N 2 1 325.413 0.957 20 5 ECBDMP C[N@@H+](CCCN1CC[NH+](C)CC1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000182967832 437370110 /nfs/dbraw/zinc/37/01/10/437370110.db2.gz DZPXNMRYTCPQRW-UHFFFAOYSA-N 2 1 337.424 0.326 20 5 ECBDMP O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)cn1 ZINC000595892543 438878615 /nfs/dbraw/zinc/87/86/15/438878615.db2.gz RVIPFIFDFLIKFA-AWEZNQCLSA-N 2 1 333.392 0.633 20 5 ECBDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000597942798 439202733 /nfs/dbraw/zinc/20/27/33/439202733.db2.gz PCWMKDQNYIVNBS-LBPRGKRZSA-N 2 1 326.401 0.180 20 5 ECBDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000597942798 439202735 /nfs/dbraw/zinc/20/27/35/439202735.db2.gz PCWMKDQNYIVNBS-LBPRGKRZSA-N 2 1 326.401 0.180 20 5 ECBDMP [NH3+][C@@H]1C[C@H]2C[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000568783175 439279004 /nfs/dbraw/zinc/27/90/04/439279004.db2.gz OTCWTWQUCDCNAN-UONOGXRCSA-N 2 1 347.375 0.167 20 5 ECBDMP [NH3+][C@@H]1C[C@H]2C[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000568783175 439279011 /nfs/dbraw/zinc/27/90/11/439279011.db2.gz OTCWTWQUCDCNAN-UONOGXRCSA-N 2 1 347.375 0.167 20 5 ECBDMP O=[N+]([O-])c1cnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)nc1C1C[NH2+]C1 ZINC001165041713 721926628 /nfs/dbraw/zinc/92/66/28/721926628.db2.gz AVZHNEDJPCHTLP-ZDUSSCGKSA-N 2 1 348.407 0.373 20 5 ECBDMP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358228296 438186908 /nfs/dbraw/zinc/18/69/08/438186908.db2.gz FKJVGOAZNUIWKX-BLLLJJGKSA-N 2 1 336.392 0.968 20 5 ECBDMP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358228296 438186913 /nfs/dbraw/zinc/18/69/13/438186913.db2.gz FKJVGOAZNUIWKX-BLLLJJGKSA-N 2 1 336.392 0.968 20 5 ECBDMP O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C[C@H]3CC4(C[NH2+]C4)CO3)C2)nc1 ZINC000923325671 611230246 /nfs/dbraw/zinc/23/02/46/611230246.db2.gz FQYSMOJBEDCAMW-TZMCWYRMSA-N 2 1 333.392 0.855 20 5 ECBDMP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420348461 209354113 /nfs/dbraw/zinc/35/41/13/209354113.db2.gz LXJIEDMJMVHUPO-BBRMVZONSA-N 2 1 347.419 0.901 20 5 ECBDMP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420348461 209354114 /nfs/dbraw/zinc/35/41/14/209354114.db2.gz LXJIEDMJMVHUPO-BBRMVZONSA-N 2 1 347.419 0.901 20 5 ECBDMP C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000371341308 437922371 /nfs/dbraw/zinc/92/23/71/437922371.db2.gz NCORBFBJNXMXCC-GDBMZVCRSA-N 2 1 336.440 0.749 20 5 ECBDMP C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000371341308 437922376 /nfs/dbraw/zinc/92/23/76/437922376.db2.gz NCORBFBJNXMXCC-GDBMZVCRSA-N 2 1 336.440 0.749 20 5 ECBDMP C[NH2+]CCOCC[N@H+](C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000600725201 439694810 /nfs/dbraw/zinc/69/48/10/439694810.db2.gz CZEKVUXAPYIBDJ-OAHLLOKOSA-N 2 1 336.392 0.868 20 5 ECBDMP C[NH2+]CCOCC[N@@H+](C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000600725201 439694814 /nfs/dbraw/zinc/69/48/14/439694814.db2.gz CZEKVUXAPYIBDJ-OAHLLOKOSA-N 2 1 336.392 0.868 20 5 ECBDMP Cn1cc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)c([N+](=O)[O-])n1 ZINC000903506455 586778504 /nfs/dbraw/zinc/77/85/04/586778504.db2.gz VCTXWEGMCUAUSZ-GASCZTMLSA-N 2 1 334.424 0.729 20 5 ECBDMP C[NH+]1CCN(C(=O)CC[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000877017164 590433624 /nfs/dbraw/zinc/43/36/24/590433624.db2.gz MFSMNFQFYDVXIY-UHFFFAOYSA-N 2 1 336.396 0.249 20 5 ECBDMP O=C(CC[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000420350489 209356926 /nfs/dbraw/zinc/35/69/26/209356926.db2.gz SXWCZCSLZKYIGV-INIZCTEOSA-N 2 1 347.419 0.903 20 5 ECBDMP C[C@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1C[NH2+]C1 ZINC000422951001 279471219 /nfs/dbraw/zinc/47/12/19/279471219.db2.gz ZJZMONUUWWADCE-JTQLQIEISA-N 2 1 328.394 0.071 20 5 ECBDMP C[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000371300436 437914001 /nfs/dbraw/zinc/91/40/01/437914001.db2.gz ACZDKFNQPHPABV-CABCVRRESA-N 2 1 336.440 0.749 20 5 ECBDMP C[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000371300436 437914006 /nfs/dbraw/zinc/91/40/06/437914006.db2.gz ACZDKFNQPHPABV-CABCVRRESA-N 2 1 336.440 0.749 20 5 ECBDMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000348284262 438042606 /nfs/dbraw/zinc/04/26/06/438042606.db2.gz PNCYVKHDNWJIPU-ZBFHGGJFSA-N 2 1 337.424 0.816 20 5 ECBDMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000348284262 438042610 /nfs/dbraw/zinc/04/26/10/438042610.db2.gz PNCYVKHDNWJIPU-ZBFHGGJFSA-N 2 1 337.424 0.816 20 5 ECBDMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000348284262 438042613 /nfs/dbraw/zinc/04/26/13/438042613.db2.gz PNCYVKHDNWJIPU-ZBFHGGJFSA-N 2 1 337.424 0.816 20 5 ECBDMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000348284262 438042619 /nfs/dbraw/zinc/04/26/19/438042619.db2.gz PNCYVKHDNWJIPU-ZBFHGGJFSA-N 2 1 337.424 0.816 20 5 ECBDMP C[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378435257 438386887 /nfs/dbraw/zinc/38/68/87/438386887.db2.gz UEEFKFGKCVXUGJ-HNNXBMFYSA-N 2 1 336.440 0.892 20 5 ECBDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000596359813 438958846 /nfs/dbraw/zinc/95/88/46/438958846.db2.gz FYINXZHUUPBQTD-LBPRGKRZSA-N 2 1 335.412 1.321 20 5 ECBDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000596359813 438958851 /nfs/dbraw/zinc/95/88/51/438958851.db2.gz FYINXZHUUPBQTD-LBPRGKRZSA-N 2 1 335.412 1.321 20 5 ECBDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000596449341 438963653 /nfs/dbraw/zinc/96/36/53/438963653.db2.gz FFGFHHWXPBKHRG-LBPRGKRZSA-N 2 1 325.413 0.935 20 5 ECBDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000596449341 438963661 /nfs/dbraw/zinc/96/36/61/438963661.db2.gz FFGFHHWXPBKHRG-LBPRGKRZSA-N 2 1 325.413 0.935 20 5 ECBDMP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000362391153 300188205 /nfs/dbraw/zinc/18/82/05/300188205.db2.gz MVUHSQRGGUYNNC-HIFRSBDPSA-N 2 1 325.413 0.816 20 5 ECBDMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000362391153 300188208 /nfs/dbraw/zinc/18/82/08/300188208.db2.gz MVUHSQRGGUYNNC-HIFRSBDPSA-N 2 1 325.413 0.816 20 5 ECBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000304315397 437156482 /nfs/dbraw/zinc/15/64/82/437156482.db2.gz OBELOEVCPNYZIL-GDBMZVCRSA-N 2 1 337.424 0.960 20 5 ECBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000304315397 437156487 /nfs/dbraw/zinc/15/64/87/437156487.db2.gz OBELOEVCPNYZIL-GDBMZVCRSA-N 2 1 337.424 0.960 20 5 ECBDMP C[C@H]1C[N@@H+](CCC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCCO1 ZINC000564865352 438880163 /nfs/dbraw/zinc/88/01/63/438880163.db2.gz XTCINFALKTYALA-ZFWWWQNUSA-N 2 1 341.412 0.243 20 5 ECBDMP Cc1n[nH]c(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000597941683 439201974 /nfs/dbraw/zinc/20/19/74/439201974.db2.gz CWQVYYNHMZTMOI-JTQLQIEISA-N 2 1 326.401 0.628 20 5 ECBDMP Cc1n[nH]c(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000597941683 439201980 /nfs/dbraw/zinc/20/19/80/439201980.db2.gz CWQVYYNHMZTMOI-JTQLQIEISA-N 2 1 326.401 0.628 20 5 ECBDMP Cc1ccc(NCCC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[nH+]c1 ZINC000573357908 439643300 /nfs/dbraw/zinc/64/33/00/439643300.db2.gz HMNNWLMHXMQELN-CQSZACIVSA-N 2 1 334.380 0.947 20 5 ECBDMP Cn1ncc([N+](=O)[O-])c1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000535754681 302125349 /nfs/dbraw/zinc/12/53/49/302125349.db2.gz QJZNNMKNXXYGNR-UHFFFAOYSA-N 2 1 345.363 0.727 20 5 ECBDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000516209182 438898370 /nfs/dbraw/zinc/89/83/70/438898370.db2.gz FAKONAAAMNZALZ-UHFFFAOYSA-N 2 1 345.363 0.577 20 5 ECBDMP COc1ccc(OCC[NH2+]C2(CO)CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000595896308 438879294 /nfs/dbraw/zinc/87/92/94/438879294.db2.gz CZKMEIOWXLMFKN-UHFFFAOYSA-N 2 1 325.365 0.686 20 5 ECBDMP [NH3+][C@@H]1C[C@@H]2C[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000565238833 438935757 /nfs/dbraw/zinc/93/57/57/438935757.db2.gz IHIQQXIABPKGTO-VXGBXAGGSA-N 2 1 347.375 0.167 20 5 ECBDMP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000565238833 438935759 /nfs/dbraw/zinc/93/57/59/438935759.db2.gz IHIQQXIABPKGTO-VXGBXAGGSA-N 2 1 347.375 0.167 20 5 ECBDMP O=C(CC[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000420350491 209355657 /nfs/dbraw/zinc/35/56/57/209355657.db2.gz SXWCZCSLZKYIGV-MRXNPFEDSA-N 2 1 347.419 0.903 20 5 ECBDMP O=C(CC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)N1CC[NH2+]CC1 ZINC000261964841 165270474 /nfs/dbraw/zinc/27/04/74/165270474.db2.gz AYEHVSOLEFYKLT-CYBMUJFWSA-N 2 1 348.407 0.298 20 5 ECBDMP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000081569247 436351458 /nfs/dbraw/zinc/35/14/58/436351458.db2.gz NWDVHAIYFMTKOK-HIFRSBDPSA-N 2 1 325.413 0.816 20 5 ECBDMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000081569247 436351460 /nfs/dbraw/zinc/35/14/60/436351460.db2.gz NWDVHAIYFMTKOK-HIFRSBDPSA-N 2 1 325.413 0.816 20 5 ECBDMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000081569247 436351463 /nfs/dbraw/zinc/35/14/63/436351463.db2.gz NWDVHAIYFMTKOK-HIFRSBDPSA-N 2 1 325.413 0.816 20 5 ECBDMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000081569247 436351466 /nfs/dbraw/zinc/35/14/66/436351466.db2.gz NWDVHAIYFMTKOK-HIFRSBDPSA-N 2 1 325.413 0.816 20 5 ECBDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000597942706 439202604 /nfs/dbraw/zinc/20/26/04/439202604.db2.gz LRDDZMFVTGGSAN-NSHDSACASA-N 2 1 326.401 0.330 20 5 ECBDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000597942706 439202608 /nfs/dbraw/zinc/20/26/08/439202608.db2.gz LRDDZMFVTGGSAN-NSHDSACASA-N 2 1 326.401 0.330 20 5 ECBDMP Cc1c(NC(=O)[C@@H](C)N2CC[NH2+]CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000923463880 611247070 /nfs/dbraw/zinc/24/70/70/611247070.db2.gz HWSFKATXRVNSCX-CYBMUJFWSA-N 2 1 335.408 0.725 20 5 ECBDMP O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+]C2CC[NH2+]CC2)cc1 ZINC000415083645 208453066 /nfs/dbraw/zinc/45/30/66/208453066.db2.gz QDVLRZSPPYWCQP-UHFFFAOYSA-N 2 1 328.394 0.215 20 5 ECBDMP [NH3+][C@H]1C[C@@H]2C[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000568783174 439278879 /nfs/dbraw/zinc/27/88/79/439278879.db2.gz OTCWTWQUCDCNAN-KGLIPLIRSA-N 2 1 347.375 0.167 20 5 ECBDMP [NH3+][C@H]1C[C@@H]2C[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000568783174 439278885 /nfs/dbraw/zinc/27/88/85/439278885.db2.gz OTCWTWQUCDCNAN-KGLIPLIRSA-N 2 1 347.375 0.167 20 5 ECBDMP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000362391152 300187970 /nfs/dbraw/zinc/18/79/70/300187970.db2.gz MVUHSQRGGUYNNC-DZGCQCFKSA-N 2 1 325.413 0.816 20 5 ECBDMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000362391152 300187972 /nfs/dbraw/zinc/18/79/72/300187972.db2.gz MVUHSQRGGUYNNC-DZGCQCFKSA-N 2 1 325.413 0.816 20 5 ECBDMP O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000304315407 437157874 /nfs/dbraw/zinc/15/78/74/437157874.db2.gz OBELOEVCPNYZIL-ZBFHGGJFSA-N 2 1 337.424 0.960 20 5 ECBDMP O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000304315407 437157877 /nfs/dbraw/zinc/15/78/77/437157877.db2.gz OBELOEVCPNYZIL-ZBFHGGJFSA-N 2 1 337.424 0.960 20 5 ECBDMP [NH3+][C@@H]1C[C@H]2C[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000565238831 438935927 /nfs/dbraw/zinc/93/59/27/438935927.db2.gz IHIQQXIABPKGTO-NWDGAFQWSA-N 2 1 347.375 0.167 20 5 ECBDMP [NH3+][C@@H]1C[C@H]2C[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000565238831 438935934 /nfs/dbraw/zinc/93/59/34/438935934.db2.gz IHIQQXIABPKGTO-NWDGAFQWSA-N 2 1 347.375 0.167 20 5 ECBDMP C[N@@H+](CCOCC[NH3+])CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000863556097 590023631 /nfs/dbraw/zinc/02/36/31/590023631.db2.gz AYKMIFWOZLRQMP-UHFFFAOYSA-N 2 1 328.344 0.970 20 5 ECBDMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000430597805 210387468 /nfs/dbraw/zinc/38/74/68/210387468.db2.gz AXPUFELWXUIIAN-ZDUSSCGKSA-N 2 1 336.392 0.761 20 5 ECBDMP Cn1cc[nH+]c1CC1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000174784529 437086477 /nfs/dbraw/zinc/08/64/77/437086477.db2.gz FMMJKNDHKBVDDM-OAHLLOKOSA-N 2 1 348.407 0.840 20 5 ECBDMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000362180306 300167648 /nfs/dbraw/zinc/16/76/48/300167648.db2.gz IFCJDJVTBZJBMG-YDHLFZDLSA-N 2 1 325.413 0.957 20 5 ECBDMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000362180306 300167651 /nfs/dbraw/zinc/16/76/51/300167651.db2.gz IFCJDJVTBZJBMG-YDHLFZDLSA-N 2 1 325.413 0.957 20 5 ECBDMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000362180306 300167654 /nfs/dbraw/zinc/16/76/54/300167654.db2.gz IFCJDJVTBZJBMG-YDHLFZDLSA-N 2 1 325.413 0.957 20 5 ECBDMP COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362825898 437756558 /nfs/dbraw/zinc/75/65/58/437756558.db2.gz KQOHEYDGQKMUJX-HNNXBMFYSA-N 2 1 348.403 1.000 20 5 ECBDMP C[N@@H+]1CC[C@@](O)(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602612760 439118802 /nfs/dbraw/zinc/11/88/02/439118802.db2.gz QLZJSEAKMWFCQV-MRXNPFEDSA-N 2 1 335.408 0.615 20 5 ECBDMP C[N@H+]1CC[C@@](O)(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602612760 439118807 /nfs/dbraw/zinc/11/88/07/439118807.db2.gz QLZJSEAKMWFCQV-MRXNPFEDSA-N 2 1 335.408 0.615 20 5 ECBDMP CCC1([NH+](C)C)CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000602967606 439170602 /nfs/dbraw/zinc/17/06/02/439170602.db2.gz MKZDXIAQVPWPLR-AWEZNQCLSA-N 2 1 325.413 0.958 20 5 ECBDMP [NH3+]C[C@H]1CC[N@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000843348424 589063209 /nfs/dbraw/zinc/06/32/09/589063209.db2.gz NELVDQXFVWCLLE-CQSZACIVSA-N 2 1 347.419 0.524 20 5 ECBDMP [NH3+]C[C@H]1CC[N@@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000843348424 589063211 /nfs/dbraw/zinc/06/32/11/589063211.db2.gz NELVDQXFVWCLLE-CQSZACIVSA-N 2 1 347.419 0.524 20 5 ECBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)c1 ZINC000365635551 437943525 /nfs/dbraw/zinc/94/35/25/437943525.db2.gz HBBLLCSMWUJGHS-MIGQKNRLSA-N 2 1 335.408 0.568 20 5 ECBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)c1 ZINC000365635551 437943533 /nfs/dbraw/zinc/94/35/33/437943533.db2.gz HBBLLCSMWUJGHS-MIGQKNRLSA-N 2 1 335.408 0.568 20 5 ECBDMP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000414974394 438725192 /nfs/dbraw/zinc/72/51/92/438725192.db2.gz KFFXETRAQNOCMB-DOMZBBRYSA-N 2 1 335.408 0.805 20 5 ECBDMP O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@@H](O)C[NH+]2CCCC2)c1 ZINC000592430261 439226688 /nfs/dbraw/zinc/22/66/88/439226688.db2.gz RNENHQVSTGHSHT-HUUCEWRRSA-N 2 1 339.392 0.381 20 5 ECBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)CCOCC[NH3+] ZINC000600733104 439698146 /nfs/dbraw/zinc/69/81/46/439698146.db2.gz HCOZZLRTQSUVCC-NSHDSACASA-N 2 1 340.380 0.838 20 5 ECBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)CCOCC[NH3+] ZINC000600733104 439698151 /nfs/dbraw/zinc/69/81/51/439698151.db2.gz HCOZZLRTQSUVCC-NSHDSACASA-N 2 1 340.380 0.838 20 5 ECBDMP O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C[C@@H]3CC4(C[NH2+]C4)CO3)C2)nc1 ZINC000923325669 611230240 /nfs/dbraw/zinc/23/02/40/611230240.db2.gz FQYSMOJBEDCAMW-JSGCOSHPSA-N 2 1 333.392 0.855 20 5 ECBDMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000362180305 300167629 /nfs/dbraw/zinc/16/76/29/300167629.db2.gz IFCJDJVTBZJBMG-VNHYZAJKSA-N 2 1 325.413 0.957 20 5 ECBDMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000362180305 300167632 /nfs/dbraw/zinc/16/76/32/300167632.db2.gz IFCJDJVTBZJBMG-VNHYZAJKSA-N 2 1 325.413 0.957 20 5 ECBDMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000362180305 300167634 /nfs/dbraw/zinc/16/76/34/300167634.db2.gz IFCJDJVTBZJBMG-VNHYZAJKSA-N 2 1 325.413 0.957 20 5 ECBDMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000362180303 300167816 /nfs/dbraw/zinc/16/78/16/300167816.db2.gz IFCJDJVTBZJBMG-IPYPFGDCSA-N 2 1 325.413 0.957 20 5 ECBDMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000362180303 300167819 /nfs/dbraw/zinc/16/78/19/300167819.db2.gz IFCJDJVTBZJBMG-IPYPFGDCSA-N 2 1 325.413 0.957 20 5 ECBDMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000362180303 300167821 /nfs/dbraw/zinc/16/78/21/300167821.db2.gz IFCJDJVTBZJBMG-IPYPFGDCSA-N 2 1 325.413 0.957 20 5 ECBDMP [NH3+][C@H]1C[C@H]2C[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000565238832 438935558 /nfs/dbraw/zinc/93/55/58/438935558.db2.gz IHIQQXIABPKGTO-RYUDHWBXSA-N 2 1 347.375 0.167 20 5 ECBDMP [NH3+][C@H]1C[C@H]2C[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000565238832 438935564 /nfs/dbraw/zinc/93/55/64/438935564.db2.gz IHIQQXIABPKGTO-RYUDHWBXSA-N 2 1 347.375 0.167 20 5 ECBDMP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886060309 590788644 /nfs/dbraw/zinc/78/86/44/590788644.db2.gz ZIKIINXVECFPAN-UHFFFAOYSA-N 2 1 335.408 0.880 20 5 ECBDMP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420352225 209356465 /nfs/dbraw/zinc/35/64/65/209356465.db2.gz ZFCFBYQKDPSMCD-XJKSGUPXSA-N 2 1 347.419 0.901 20 5 ECBDMP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420352225 209356468 /nfs/dbraw/zinc/35/64/68/209356468.db2.gz ZFCFBYQKDPSMCD-XJKSGUPXSA-N 2 1 347.419 0.901 20 5 ECBDMP COc1ccc(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1[N+](=O)[O-] ZINC000261732440 165233138 /nfs/dbraw/zinc/23/31/38/165233138.db2.gz RXGKKGYSFJXPMH-ZDUSSCGKSA-N 2 1 336.392 0.890 20 5 ECBDMP C[NH+]1CCN([C@H]2CCCC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)CC1 ZINC000161863515 436897691 /nfs/dbraw/zinc/89/76/91/436897691.db2.gz KTBWEJZHMDNMNM-HNNXBMFYSA-N 2 1 336.440 0.893 20 5 ECBDMP C[NH+]1CCN([C@H]2CCCC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)CC1 ZINC000161863515 436897694 /nfs/dbraw/zinc/89/76/94/436897694.db2.gz KTBWEJZHMDNMNM-HNNXBMFYSA-N 2 1 336.440 0.893 20 5 ECBDMP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358224653 438185953 /nfs/dbraw/zinc/18/59/53/438185953.db2.gz CCKZMHLXMRKHEH-MLGOLLRUSA-N 2 1 336.392 0.968 20 5 ECBDMP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358224653 438185957 /nfs/dbraw/zinc/18/59/57/438185957.db2.gz CCKZMHLXMRKHEH-MLGOLLRUSA-N 2 1 336.392 0.968 20 5 ECBDMP CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)n1 ZINC000597942246 439201441 /nfs/dbraw/zinc/20/14/41/439201441.db2.gz JDWUFKSEAQKJPT-LBPRGKRZSA-N 2 1 340.428 0.813 20 5 ECBDMP CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)n1 ZINC000597942246 439201444 /nfs/dbraw/zinc/20/14/44/439201444.db2.gz JDWUFKSEAQKJPT-LBPRGKRZSA-N 2 1 340.428 0.813 20 5 ECBDMP O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC[C@@H](N3CC[NH2+]CC3)C1)OCCO2 ZINC000592434551 439227684 /nfs/dbraw/zinc/22/76/84/439227684.db2.gz LHXKOIXBHYHVCQ-CQSZACIVSA-N 2 1 348.403 0.846 20 5 ECBDMP O=[N+]([O-])c1cc2c(cc1C[N@H+]1CC[C@@H](N3CC[NH2+]CC3)C1)OCCO2 ZINC000592434551 439227688 /nfs/dbraw/zinc/22/76/88/439227688.db2.gz LHXKOIXBHYHVCQ-CQSZACIVSA-N 2 1 348.403 0.846 20 5 ECBDMP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000592472309 439236082 /nfs/dbraw/zinc/23/60/82/439236082.db2.gz WVRMGOUMJFMKDC-ZDUSSCGKSA-N 2 1 335.408 0.759 20 5 ECBDMP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000592472309 439236087 /nfs/dbraw/zinc/23/60/87/439236087.db2.gz WVRMGOUMJFMKDC-ZDUSSCGKSA-N 2 1 335.408 0.759 20 5 ECBDMP O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C[C@H]3CC4(C[NH2+]C4)CO3)C2)nc1 ZINC000923325668 611230168 /nfs/dbraw/zinc/23/01/68/611230168.db2.gz FQYSMOJBEDCAMW-GXTWGEPZSA-N 2 1 333.392 0.855 20 5 ECBDMP O=C1[C@@H](N2CC[NH2+]CC[NH2+]CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000923461532 611247166 /nfs/dbraw/zinc/24/71/66/611247166.db2.gz QOFREWLAZJCYPT-HNNXBMFYSA-N 2 1 333.392 0.195 20 5 ECBDMP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000414974397 438725514 /nfs/dbraw/zinc/72/55/14/438725514.db2.gz KFFXETRAQNOCMB-WFASDCNBSA-N 2 1 335.408 0.805 20 5 ECBDMP O=C(CC[NH2+]C[C@H](O)C[NH+]1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000578132000 438899248 /nfs/dbraw/zinc/89/92/48/438899248.db2.gz IAQIJIBACDBKPG-ZDUSSCGKSA-N 2 1 336.392 0.970 20 5 ECBDMP [NH3+][C@H]1C[C@H]2C[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000568783173 439280160 /nfs/dbraw/zinc/28/01/60/439280160.db2.gz OTCWTWQUCDCNAN-KBPBESRZSA-N 2 1 347.375 0.167 20 5 ECBDMP [NH3+][C@H]1C[C@H]2C[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000568783173 439280164 /nfs/dbraw/zinc/28/01/64/439280164.db2.gz OTCWTWQUCDCNAN-KBPBESRZSA-N 2 1 347.375 0.167 20 5 ECBDMP Cc1c(NC(=O)[C@H](C)N2CC[NH2+]CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000923463884 611247124 /nfs/dbraw/zinc/24/71/24/611247124.db2.gz HWSFKATXRVNSCX-ZDUSSCGKSA-N 2 1 335.408 0.725 20 5 ECBDMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304334088 437157839 /nfs/dbraw/zinc/15/78/39/437157839.db2.gz WDVVCWAITOXZJI-ZFWWWQNUSA-N 2 1 325.413 0.958 20 5 ECBDMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304334088 437157842 /nfs/dbraw/zinc/15/78/42/437157842.db2.gz WDVVCWAITOXZJI-ZFWWWQNUSA-N 2 1 325.413 0.958 20 5 ECBDMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304334088 437157845 /nfs/dbraw/zinc/15/78/45/437157845.db2.gz WDVVCWAITOXZJI-ZFWWWQNUSA-N 2 1 325.413 0.958 20 5 ECBDMP CN(Cc1c([N+](=O)[O-])ncn1C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000367622239 438230474 /nfs/dbraw/zinc/23/04/74/438230474.db2.gz GSYUAIKECQYQIK-CQSZACIVSA-N 2 1 336.440 0.929 20 5 ECBDMP CN(Cc1c([N+](=O)[O-])ncn1C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367622239 438230478 /nfs/dbraw/zinc/23/04/78/438230478.db2.gz GSYUAIKECQYQIK-CQSZACIVSA-N 2 1 336.440 0.929 20 5 ECBDMP C[NH+]1CCC2(CCC[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000368535607 438344252 /nfs/dbraw/zinc/34/42/52/438344252.db2.gz YIZFGIKBZIZFAV-HNNXBMFYSA-N 2 1 337.424 0.960 20 5 ECBDMP O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@H](O)C[NH+]2CCCC2)c1 ZINC000592430262 439226621 /nfs/dbraw/zinc/22/66/21/439226621.db2.gz RNENHQVSTGHSHT-LSDHHAIUSA-N 2 1 339.392 0.381 20 5 ECBDMP COc1ccc(NC(=O)[C@H](C)[N@H+](C)CCOCC[NH3+])c([N+](=O)[O-])c1 ZINC000600734309 439697436 /nfs/dbraw/zinc/69/74/36/439697436.db2.gz NRTVUQMEHKCRRU-NSHDSACASA-N 2 1 340.380 0.838 20 5 ECBDMP COc1ccc(NC(=O)[C@H](C)[N@@H+](C)CCOCC[NH3+])c([N+](=O)[O-])c1 ZINC000600734309 439697438 /nfs/dbraw/zinc/69/74/38/439697438.db2.gz NRTVUQMEHKCRRU-NSHDSACASA-N 2 1 340.380 0.838 20 5 ECBDMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000430597804 210387025 /nfs/dbraw/zinc/38/70/25/210387025.db2.gz AXPUFELWXUIIAN-CYBMUJFWSA-N 2 1 336.392 0.761 20 5 ECBDMP Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000597942331 439202315 /nfs/dbraw/zinc/20/23/15/439202315.db2.gz LPGIBJGBOLVBNE-LBPRGKRZSA-N 2 1 340.428 0.488 20 5 ECBDMP Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000597942331 439202321 /nfs/dbraw/zinc/20/23/21/439202321.db2.gz LPGIBJGBOLVBNE-LBPRGKRZSA-N 2 1 340.428 0.488 20 5 ECBDMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000866708711 589760557 /nfs/dbraw/zinc/76/05/57/589760557.db2.gz NYJCLMAUTPUORI-ZNMIVQPWSA-N 2 1 332.360 0.962 20 5 ECBDMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000866708711 589760558 /nfs/dbraw/zinc/76/05/58/589760558.db2.gz NYJCLMAUTPUORI-ZNMIVQPWSA-N 2 1 332.360 0.962 20 5 ECBDMP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420352222 209356824 /nfs/dbraw/zinc/35/68/24/209356824.db2.gz ZFCFBYQKDPSMCD-BBRMVZONSA-N 2 1 347.419 0.901 20 5 ECBDMP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420352222 209356825 /nfs/dbraw/zinc/35/68/25/209356825.db2.gz ZFCFBYQKDPSMCD-BBRMVZONSA-N 2 1 347.419 0.901 20 5 ECBDMP C[C@@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1C[NH2+]C1 ZINC000422951002 274247205 /nfs/dbraw/zinc/24/72/05/274247205.db2.gz ZJZMONUUWWADCE-SNVBAGLBSA-N 2 1 328.394 0.071 20 5 ECBDMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000362180304 300167864 /nfs/dbraw/zinc/16/78/64/300167864.db2.gz IFCJDJVTBZJBMG-KCQAQPDRSA-N 2 1 325.413 0.957 20 5 ECBDMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000362180304 300167866 /nfs/dbraw/zinc/16/78/66/300167866.db2.gz IFCJDJVTBZJBMG-KCQAQPDRSA-N 2 1 325.413 0.957 20 5 ECBDMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000362180304 300167869 /nfs/dbraw/zinc/16/78/69/300167869.db2.gz IFCJDJVTBZJBMG-KCQAQPDRSA-N 2 1 325.413 0.957 20 5 ECBDMP CN1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000366127773 438023115 /nfs/dbraw/zinc/02/31/15/438023115.db2.gz PNZXHUIGMMMNFG-LBPRGKRZSA-N 2 1 333.392 0.888 20 5 ECBDMP Cc1nn(C)c(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000597941378 439201380 /nfs/dbraw/zinc/20/13/80/439201380.db2.gz AFOMHDLNVDISJS-NSHDSACASA-N 2 1 340.428 0.639 20 5 ECBDMP Cc1nn(C)c(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000597941378 439201384 /nfs/dbraw/zinc/20/13/84/439201384.db2.gz AFOMHDLNVDISJS-NSHDSACASA-N 2 1 340.428 0.639 20 5 ECBDMP Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000824819471 587895637 /nfs/dbraw/zinc/89/56/37/587895637.db2.gz MLWLFTCPKBMIQR-LBPRGKRZSA-N 2 1 340.428 0.488 20 5 ECBDMP Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000824819471 587895641 /nfs/dbraw/zinc/89/56/41/587895641.db2.gz MLWLFTCPKBMIQR-LBPRGKRZSA-N 2 1 340.428 0.488 20 5 ECBDMP C[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378435258 438386858 /nfs/dbraw/zinc/38/68/58/438386858.db2.gz UEEFKFGKCVXUGJ-OAHLLOKOSA-N 2 1 336.440 0.892 20 5 ECBDMP [NH3+][C@H]1CCC[C@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000422936901 438618303 /nfs/dbraw/zinc/61/83/03/438618303.db2.gz NEWVWTMQGAZTNG-QWHCGFSZSA-N 2 1 328.394 0.343 20 5 ECBDMP O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000582063257 439286723 /nfs/dbraw/zinc/28/67/23/439286723.db2.gz VRXCMNVLPDRDKM-ZIAGYGMSSA-N 2 1 339.392 0.381 20 5 ECBDMP O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)cn1 ZINC000903724509 586802358 /nfs/dbraw/zinc/80/23/58/586802358.db2.gz OETXFIVXDRPSLO-DOTOQJQBSA-N 2 1 347.419 0.880 20 5 ECBDMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000866708710 589760749 /nfs/dbraw/zinc/76/07/49/589760749.db2.gz NYJCLMAUTPUORI-KFWWJZLASA-N 2 1 332.360 0.962 20 5 ECBDMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000866708710 589760752 /nfs/dbraw/zinc/76/07/52/589760752.db2.gz NYJCLMAUTPUORI-KFWWJZLASA-N 2 1 332.360 0.962 20 5 ECBDMP C[C@@H]1C[N@H+](C)[C@H](C)CN1c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001164640722 719166682 /nfs/dbraw/zinc/16/66/82/719166682.db2.gz VPMSOPWHAZZLBC-VXGBXAGGSA-N 2 1 335.412 0.323 20 5 ECBDMP C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001164640722 719166686 /nfs/dbraw/zinc/16/66/86/719166686.db2.gz VPMSOPWHAZZLBC-VXGBXAGGSA-N 2 1 335.412 0.323 20 5 ECBDMP CN(CCC[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O)CC[NH+](C)C ZINC000289415956 437408940 /nfs/dbraw/zinc/40/89/40/437408940.db2.gz MFKWPXVDFRGRRQ-UHFFFAOYSA-N 2 1 339.440 0.572 20 5 ECBDMP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358228303 438185890 /nfs/dbraw/zinc/18/58/90/438185890.db2.gz FKJVGOAZNUIWKX-WBMJQRKESA-N 2 1 336.392 0.968 20 5 ECBDMP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358228303 438185892 /nfs/dbraw/zinc/18/58/92/438185892.db2.gz FKJVGOAZNUIWKX-WBMJQRKESA-N 2 1 336.392 0.968 20 5 ECBDMP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358228301 438186294 /nfs/dbraw/zinc/18/62/94/438186294.db2.gz FKJVGOAZNUIWKX-MLGOLLRUSA-N 2 1 336.392 0.968 20 5 ECBDMP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358228301 438186297 /nfs/dbraw/zinc/18/62/97/438186297.db2.gz FKJVGOAZNUIWKX-MLGOLLRUSA-N 2 1 336.392 0.968 20 5 ECBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)CCOCC[NH3+] ZINC000600733100 439697254 /nfs/dbraw/zinc/69/72/54/439697254.db2.gz HCOZZLRTQSUVCC-LLVKDONJSA-N 2 1 340.380 0.838 20 5 ECBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)CCOCC[NH3+] ZINC000600733100 439697256 /nfs/dbraw/zinc/69/72/56/439697256.db2.gz HCOZZLRTQSUVCC-LLVKDONJSA-N 2 1 340.380 0.838 20 5 ECBDMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000531340871 322038214 /nfs/dbraw/zinc/03/82/14/322038214.db2.gz ZFJYSMPMHGXNRV-OAHLLOKOSA-N 2 1 336.440 0.892 20 5 ECBDMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000819059172 587466545 /nfs/dbraw/zinc/46/65/45/587466545.db2.gz BLSNFDNRGNHQQO-OAHLLOKOSA-N 2 1 336.392 0.382 20 5 ECBDMP COc1ccc(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1[N+](=O)[O-] ZINC000261732437 165232764 /nfs/dbraw/zinc/23/27/64/165232764.db2.gz RXGKKGYSFJXPMH-CYBMUJFWSA-N 2 1 336.392 0.890 20 5 ECBDMP Cc1nc(N2CC[NH+](C)CC2)nc(N2CCN(C)CC2)c1[N+](=O)[O-] ZINC000159716864 436863691 /nfs/dbraw/zinc/86/36/91/436863691.db2.gz TWCWAKAFAFIUDU-UHFFFAOYSA-N 2 1 335.412 0.197 20 5 ECBDMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000348284261 438042154 /nfs/dbraw/zinc/04/21/54/438042154.db2.gz PNCYVKHDNWJIPU-HOCLYGCPSA-N 2 1 337.424 0.816 20 5 ECBDMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000348284261 438042158 /nfs/dbraw/zinc/04/21/58/438042158.db2.gz PNCYVKHDNWJIPU-HOCLYGCPSA-N 2 1 337.424 0.816 20 5 ECBDMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000348284261 438042161 /nfs/dbraw/zinc/04/21/61/438042161.db2.gz PNCYVKHDNWJIPU-HOCLYGCPSA-N 2 1 337.424 0.816 20 5 ECBDMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000348284261 438042166 /nfs/dbraw/zinc/04/21/66/438042166.db2.gz PNCYVKHDNWJIPU-HOCLYGCPSA-N 2 1 337.424 0.816 20 5 ECBDMP CN(Cc1c([N+](=O)[O-])ncn1C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000367622238 438229603 /nfs/dbraw/zinc/22/96/03/438229603.db2.gz GSYUAIKECQYQIK-AWEZNQCLSA-N 2 1 336.440 0.929 20 5 ECBDMP CN(Cc1c([N+](=O)[O-])ncn1C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367622238 438229606 /nfs/dbraw/zinc/22/96/06/438229606.db2.gz GSYUAIKECQYQIK-AWEZNQCLSA-N 2 1 336.440 0.929 20 5 ECBDMP O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@@H](O)C[NH+]2CCCC2)c1 ZINC000592430259 439227295 /nfs/dbraw/zinc/22/72/95/439227295.db2.gz RNENHQVSTGHSHT-CABCVRRESA-N 2 1 339.392 0.381 20 5 ECBDMP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000592471970 439234519 /nfs/dbraw/zinc/23/45/19/439234519.db2.gz AKUAZTSYRBWGDH-CYBMUJFWSA-N 2 1 335.408 0.759 20 5 ECBDMP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000592471970 439234524 /nfs/dbraw/zinc/23/45/24/439234524.db2.gz AKUAZTSYRBWGDH-CYBMUJFWSA-N 2 1 335.408 0.759 20 5 ECBDMP C[NH2+]CCOCC[N@H+](C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000600725200 439694860 /nfs/dbraw/zinc/69/48/60/439694860.db2.gz CZEKVUXAPYIBDJ-HNNXBMFYSA-N 2 1 336.392 0.868 20 5 ECBDMP C[NH2+]CCOCC[N@@H+](C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000600725200 439694864 /nfs/dbraw/zinc/69/48/64/439694864.db2.gz CZEKVUXAPYIBDJ-HNNXBMFYSA-N 2 1 336.392 0.868 20 5 ECBDMP O=C(CN1CC[NH2+]CC[NH2+]CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000923465793 611246245 /nfs/dbraw/zinc/24/62/45/611246245.db2.gz MUSBFFUKTNKYLH-UHFFFAOYSA-N 2 1 341.799 0.682 20 5 ECBDMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000430603929 210385738 /nfs/dbraw/zinc/38/57/38/210385738.db2.gz OVTNOVOVWXVBCP-ZDUSSCGKSA-N 2 1 336.392 0.761 20 5 ECBDMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)CC1 ZINC000332449486 437224447 /nfs/dbraw/zinc/22/44/47/437224447.db2.gz DZWHLFTZXHYIAL-UHFFFAOYSA-N 2 1 333.392 0.512 20 5 ECBDMP C[NH+]1CCN(C(=O)CC[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)CC1 ZINC000332449486 437224449 /nfs/dbraw/zinc/22/44/49/437224449.db2.gz DZWHLFTZXHYIAL-UHFFFAOYSA-N 2 1 333.392 0.512 20 5 ECBDMP C[NH+]1CCN(C[C@H]2CCC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000367623965 438230076 /nfs/dbraw/zinc/23/00/76/438230076.db2.gz SGQFMROMHPJTCE-HNNXBMFYSA-N 2 1 336.440 0.751 20 5 ECBDMP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000595906834 438884306 /nfs/dbraw/zinc/88/43/06/438884306.db2.gz OHXPTJLNQKTBAS-LSDHHAIUSA-N 2 1 341.412 0.195 20 5 ECBDMP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000595906834 438884312 /nfs/dbraw/zinc/88/43/12/438884312.db2.gz OHXPTJLNQKTBAS-LSDHHAIUSA-N 2 1 341.412 0.195 20 5 ECBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000923359009 611232555 /nfs/dbraw/zinc/23/25/55/611232555.db2.gz NWMUBLARJPYMES-IIAWOOMASA-N 2 1 337.424 0.864 20 5 ECBDMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000304287093 437157139 /nfs/dbraw/zinc/15/71/39/437157139.db2.gz AYBZMEBFQNOHDZ-OAHLLOKOSA-N 2 1 325.413 0.957 20 5 ECBDMP O=C(CC[NH2+]C[C@@H](O)C[NH+]1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000578131999 438899524 /nfs/dbraw/zinc/89/95/24/438899524.db2.gz IAQIJIBACDBKPG-CYBMUJFWSA-N 2 1 336.392 0.970 20 5 ECBDMP C[C@@H]1C[N@@H+](CCC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCCO1 ZINC000564865351 438880887 /nfs/dbraw/zinc/88/08/87/438880887.db2.gz XTCINFALKTYALA-UKRRQHHQSA-N 2 1 341.412 0.243 20 5 ECBDMP Cc1noc(CONC(=[NH2+])[C@H]2C[N@H+](C(C)C)CCO2)c1[N+](=O)[O-] ZINC000853685735 589555017 /nfs/dbraw/zinc/55/50/17/589555017.db2.gz OQWNBXXYBZBXBU-SNVBAGLBSA-N 2 1 327.341 0.999 20 5 ECBDMP Cc1noc(CONC(=[NH2+])[C@H]2C[N@@H+](C(C)C)CCO2)c1[N+](=O)[O-] ZINC000853685735 589555018 /nfs/dbraw/zinc/55/50/18/589555018.db2.gz OQWNBXXYBZBXBU-SNVBAGLBSA-N 2 1 327.341 0.999 20 5 ECBDMP C[N@@H+](CCN1CC[NH2+]CC1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000923285973 611224827 /nfs/dbraw/zinc/22/48/27/611224827.db2.gz KIHZIPWQRRBVCU-HNNXBMFYSA-N 2 1 338.408 0.172 20 5 ECBDMP COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362825899 437755716 /nfs/dbraw/zinc/75/57/16/437755716.db2.gz KQOHEYDGQKMUJX-OAHLLOKOSA-N 2 1 348.403 1.000 20 5 ECBDMP C[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000371300438 437915219 /nfs/dbraw/zinc/91/52/19/437915219.db2.gz ACZDKFNQPHPABV-HUUCEWRRSA-N 2 1 336.440 0.749 20 5 ECBDMP C[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000371300438 437915223 /nfs/dbraw/zinc/91/52/23/437915223.db2.gz ACZDKFNQPHPABV-HUUCEWRRSA-N 2 1 336.440 0.749 20 5 ECBDMP C[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000371341309 437923438 /nfs/dbraw/zinc/92/34/38/437923438.db2.gz NCORBFBJNXMXCC-GOEBONIOSA-N 2 1 336.440 0.749 20 5 ECBDMP C[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000371341309 437923442 /nfs/dbraw/zinc/92/34/42/437923442.db2.gz NCORBFBJNXMXCC-GOEBONIOSA-N 2 1 336.440 0.749 20 5 ECBDMP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358224650 438186468 /nfs/dbraw/zinc/18/64/68/438186468.db2.gz CCKZMHLXMRKHEH-LRDDRELGSA-N 2 1 336.392 0.968 20 5 ECBDMP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358224650 438186470 /nfs/dbraw/zinc/18/64/70/438186470.db2.gz CCKZMHLXMRKHEH-LRDDRELGSA-N 2 1 336.392 0.968 20 5 ECBDMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819062983 587466384 /nfs/dbraw/zinc/46/63/84/587466384.db2.gz VFXUYDRHMSZCQJ-HNNXBMFYSA-N 2 1 336.392 0.382 20 5 ECBDMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304334085 437156123 /nfs/dbraw/zinc/15/61/23/437156123.db2.gz WDVVCWAITOXZJI-UKRRQHHQSA-N 2 1 325.413 0.958 20 5 ECBDMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304334085 437156126 /nfs/dbraw/zinc/15/61/26/437156126.db2.gz WDVVCWAITOXZJI-UKRRQHHQSA-N 2 1 325.413 0.958 20 5 ECBDMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304334085 437156129 /nfs/dbraw/zinc/15/61/29/437156129.db2.gz WDVVCWAITOXZJI-UKRRQHHQSA-N 2 1 325.413 0.958 20 5 ECBDMP O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000305087425 437159817 /nfs/dbraw/zinc/15/98/17/437159817.db2.gz OJDNTFBQTKBQLI-HNNXBMFYSA-N 2 1 332.364 0.369 20 5 ECBDMP C[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000371341310 437922623 /nfs/dbraw/zinc/92/26/23/437922623.db2.gz NCORBFBJNXMXCC-HOCLYGCPSA-N 2 1 336.440 0.749 20 5 ECBDMP C[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000371341310 437922627 /nfs/dbraw/zinc/92/26/27/437922627.db2.gz NCORBFBJNXMXCC-HOCLYGCPSA-N 2 1 336.440 0.749 20 5 ECBDMP C[N@H+](CCN1CC[NH2+]CC1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000592472074 439236542 /nfs/dbraw/zinc/23/65/42/439236542.db2.gz IALJDCBTLMDIFP-INIZCTEOSA-N 2 1 347.419 0.537 20 5 ECBDMP C[N@@H+](CCN1CC[NH2+]CC1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000592472074 439236548 /nfs/dbraw/zinc/23/65/48/439236548.db2.gz IALJDCBTLMDIFP-INIZCTEOSA-N 2 1 347.419 0.537 20 5 ECBDMP C[C@H]1C[N@H+](C)[C@@H](C)CN1c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001164640719 719166309 /nfs/dbraw/zinc/16/63/09/719166309.db2.gz VPMSOPWHAZZLBC-RYUDHWBXSA-N 2 1 335.412 0.323 20 5 ECBDMP C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001164640719 719166319 /nfs/dbraw/zinc/16/63/19/719166319.db2.gz VPMSOPWHAZZLBC-RYUDHWBXSA-N 2 1 335.412 0.323 20 5 ECBDMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000422936900 209677982 /nfs/dbraw/zinc/67/79/82/209677982.db2.gz NEWVWTMQGAZTNG-OLZOCXBDSA-N 2 1 328.394 0.343 20 5 ECBDMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000430638122 210394255 /nfs/dbraw/zinc/39/42/55/210394255.db2.gz MODJKGWUGNJKGC-ZDUSSCGKSA-N 2 1 336.392 0.761 20 5 ECBDMP O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C[C@@H]3CC4(C[NH2+]C4)CO3)C2)nc1 ZINC000923325670 611230127 /nfs/dbraw/zinc/23/01/27/611230127.db2.gz FQYSMOJBEDCAMW-OCCSQVGLSA-N 2 1 333.392 0.855 20 5 ECBDMP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358224657 438187389 /nfs/dbraw/zinc/18/73/89/438187389.db2.gz CCKZMHLXMRKHEH-WBMJQRKESA-N 2 1 336.392 0.968 20 5 ECBDMP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358224657 438187396 /nfs/dbraw/zinc/18/73/96/438187396.db2.gz CCKZMHLXMRKHEH-WBMJQRKESA-N 2 1 336.392 0.968 20 5 ECBDMP O=[N+]([O-])c1ccn(CCN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)n1 ZINC000903510063 586781092 /nfs/dbraw/zinc/78/10/92/586781092.db2.gz MNLNEAJAFWADMF-GASCZTMLSA-N 2 1 334.424 0.692 20 5 ECBDMP O=[N+]([O-])c1cnc(N2CC3(C2)CC[N@@H+](CC2CC2)C3)nc1C1C[NH2+]C1 ZINC001164775260 721304077 /nfs/dbraw/zinc/30/40/77/721304077.db2.gz UOZDTAPLWSGSLA-UHFFFAOYSA-N 2 1 344.419 0.994 20 5 ECBDMP Cn1cc[nH+]c1CC1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000174784522 437086913 /nfs/dbraw/zinc/08/69/13/437086913.db2.gz FMMJKNDHKBVDDM-HNNXBMFYSA-N 2 1 348.407 0.840 20 5 ECBDMP CC(C)C[N@H+]1CC[C@H](C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000515637151 438875661 /nfs/dbraw/zinc/87/56/61/438875661.db2.gz DQQLZWLLQONHFU-HIFRSBDPSA-N 2 1 325.413 0.720 20 5 ECBDMP O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C[C@H]3CCC4(C[NH2+]C4)O3)C2)nc1 ZINC000595885388 438877196 /nfs/dbraw/zinc/87/71/96/438877196.db2.gz NIJWNYZNKKEMCW-GXTWGEPZSA-N 2 1 333.392 0.997 20 5 ECBDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000597941933 439202166 /nfs/dbraw/zinc/20/21/66/439202166.db2.gz HGMIYCCABOVYDM-LBPRGKRZSA-N 2 1 325.413 0.935 20 5 ECBDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000597941933 439202171 /nfs/dbraw/zinc/20/21/71/439202171.db2.gz HGMIYCCABOVYDM-LBPRGKRZSA-N 2 1 325.413 0.935 20 5 ECBDMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000866708644 589760412 /nfs/dbraw/zinc/76/04/12/589760412.db2.gz MZJYNUGVPVGIGE-YUELXQCFSA-N 2 1 332.360 0.962 20 5 ECBDMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000866708644 589760413 /nfs/dbraw/zinc/76/04/13/589760413.db2.gz MZJYNUGVPVGIGE-YUELXQCFSA-N 2 1 332.360 0.962 20 5 ECBDMP O=C(CN1CC[NH2+]CC[NH2+]CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000923460288 611246788 /nfs/dbraw/zinc/24/67/88/611246788.db2.gz QYYNXRHITIDIQX-UHFFFAOYSA-N 2 1 341.799 0.682 20 5 ECBDMP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420348464 209354735 /nfs/dbraw/zinc/35/47/35/209354735.db2.gz LXJIEDMJMVHUPO-XJKSGUPXSA-N 2 1 347.419 0.901 20 5 ECBDMP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420348464 209354738 /nfs/dbraw/zinc/35/47/38/209354738.db2.gz LXJIEDMJMVHUPO-XJKSGUPXSA-N 2 1 347.419 0.901 20 5 ECBDMP O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)cn1 ZINC000903724510 586802427 /nfs/dbraw/zinc/80/24/27/586802427.db2.gz OETXFIVXDRPSLO-NVXWUHKLSA-N 2 1 347.419 0.880 20 5 ECBDMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)CC1 ZINC000530665365 302022507 /nfs/dbraw/zinc/02/25/07/302022507.db2.gz CWMSPLCYHFJQIJ-OAHLLOKOSA-N 2 1 336.440 0.892 20 5 ECBDMP C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293958574 436923284 /nfs/dbraw/zinc/92/32/84/436923284.db2.gz ZUTDDBRPJIUNFC-GFCCVEGCSA-N 2 1 335.408 0.992 20 5 ECBDMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304334082 437157781 /nfs/dbraw/zinc/15/77/81/437157781.db2.gz WDVVCWAITOXZJI-HIFRSBDPSA-N 2 1 325.413 0.958 20 5 ECBDMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304334082 437157783 /nfs/dbraw/zinc/15/77/83/437157783.db2.gz WDVVCWAITOXZJI-HIFRSBDPSA-N 2 1 325.413 0.958 20 5 ECBDMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304334082 437157785 /nfs/dbraw/zinc/15/77/85/437157785.db2.gz WDVVCWAITOXZJI-HIFRSBDPSA-N 2 1 325.413 0.958 20 5 ECBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)c1 ZINC000365635552 437943027 /nfs/dbraw/zinc/94/30/27/437943027.db2.gz HBBLLCSMWUJGHS-OJLVUWQFSA-N 2 1 335.408 0.568 20 5 ECBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)c1 ZINC000365635552 437943035 /nfs/dbraw/zinc/94/30/35/437943035.db2.gz HBBLLCSMWUJGHS-OJLVUWQFSA-N 2 1 335.408 0.568 20 5 ECBDMP COc1cc(C[N@H+](C)CCN2CC[NH2+]CC2)c([N+](=O)[O-])cc1OC ZINC000592428515 439227712 /nfs/dbraw/zinc/22/77/12/439227712.db2.gz VRDHJPZGCFBDBW-UHFFFAOYSA-N 2 1 338.408 0.949 20 5 ECBDMP COc1cc(C[N@@H+](C)CCN2CC[NH2+]CC2)c([N+](=O)[O-])cc1OC ZINC000592428515 439227714 /nfs/dbraw/zinc/22/77/14/439227714.db2.gz VRDHJPZGCFBDBW-UHFFFAOYSA-N 2 1 338.408 0.949 20 5 ECBDMP Cn1nc([N+](=O)[O-])cc1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000548163307 322150029 /nfs/dbraw/zinc/15/00/29/322150029.db2.gz BLGFCCSSEYLWCO-UHFFFAOYSA-N 2 1 345.363 0.727 20 5 ECBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000923359094 611233185 /nfs/dbraw/zinc/23/31/85/611233185.db2.gz NWMUBLARJPYMES-SQWLQELKSA-N 2 1 337.424 0.864 20 5 ECBDMP O=C(CN1CC[NH2+]CC[NH2+]CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000923465515 611246456 /nfs/dbraw/zinc/24/64/56/611246456.db2.gz GFLBZNLTZSMDNX-UHFFFAOYSA-N 2 1 341.799 0.682 20 5 ECBDMP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000422951019 274962400 /nfs/dbraw/zinc/96/24/00/274962400.db2.gz ZKVWRSCYEPKOKK-STQMWFEESA-N 2 1 328.394 0.343 20 5 ECBDMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000112921358 436634284 /nfs/dbraw/zinc/63/42/84/436634284.db2.gz RHIZEVJWBNPRMR-UHFFFAOYSA-N 2 1 338.412 0.276 20 5 ECBDMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000112921358 436634286 /nfs/dbraw/zinc/63/42/86/436634286.db2.gz RHIZEVJWBNPRMR-UHFFFAOYSA-N 2 1 338.412 0.276 20 5 ECBDMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000581424258 439209714 /nfs/dbraw/zinc/20/97/14/439209714.db2.gz HERSJZNJMYNPLA-HIFRSBDPSA-N 2 1 325.413 0.862 20 5 ECBDMP Cc1noc(CONC(=[NH2+])[C@@H]2C[N@H+](C(C)C)CCO2)c1[N+](=O)[O-] ZINC000853685734 589555090 /nfs/dbraw/zinc/55/50/90/589555090.db2.gz OQWNBXXYBZBXBU-JTQLQIEISA-N 2 1 327.341 0.999 20 5 ECBDMP Cc1noc(CONC(=[NH2+])[C@@H]2C[N@@H+](C(C)C)CCO2)c1[N+](=O)[O-] ZINC000853685734 589555091 /nfs/dbraw/zinc/55/50/91/589555091.db2.gz OQWNBXXYBZBXBU-JTQLQIEISA-N 2 1 327.341 0.999 20 5 ECBDMP O=C(CC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)N1CC[NH2+]CC1 ZINC000261964844 165271148 /nfs/dbraw/zinc/27/11/48/165271148.db2.gz AYEHVSOLEFYKLT-ZDUSSCGKSA-N 2 1 348.407 0.298 20 5 ECBDMP CN1CCC([N@H+]2CC[C@H](NC(=O)c3cc([N+](=O)[O-])cnc3N)C2)CC1 ZINC000363869554 300301596 /nfs/dbraw/zinc/30/15/96/300301596.db2.gz RISWRALBVJBVFF-NSHDSACASA-N 2 1 348.407 0.470 20 5 ECBDMP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293958577 436923891 /nfs/dbraw/zinc/92/38/91/436923891.db2.gz ZUTDDBRPJIUNFC-LBPRGKRZSA-N 2 1 335.408 0.992 20 5 ECBDMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304334079 437158020 /nfs/dbraw/zinc/15/80/20/437158020.db2.gz WDVVCWAITOXZJI-DZGCQCFKSA-N 2 1 325.413 0.958 20 5 ECBDMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304334079 437158023 /nfs/dbraw/zinc/15/80/23/437158023.db2.gz WDVVCWAITOXZJI-DZGCQCFKSA-N 2 1 325.413 0.958 20 5 ECBDMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304334079 437158024 /nfs/dbraw/zinc/15/80/24/437158024.db2.gz WDVVCWAITOXZJI-DZGCQCFKSA-N 2 1 325.413 0.958 20 5 ECBDMP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000414974395 438724454 /nfs/dbraw/zinc/72/44/54/438724454.db2.gz KFFXETRAQNOCMB-IUODEOHRSA-N 2 1 335.408 0.805 20 5 ECBDMP C[C@@]1(C[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[NH2+]C1 ZINC000415080770 438727735 /nfs/dbraw/zinc/72/77/35/438727735.db2.gz MAFMIZGZLYHRFJ-CQSZACIVSA-N 2 1 342.421 0.462 20 5 ECBDMP C[C@]1(C[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[NH2+]C1 ZINC000415080767 438728701 /nfs/dbraw/zinc/72/87/01/438728701.db2.gz MAFMIZGZLYHRFJ-AWEZNQCLSA-N 2 1 342.421 0.462 20 5 ECBDMP C[C@@H]1C[N@@H+](CCC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCCO1 ZINC000564865350 438880538 /nfs/dbraw/zinc/88/05/38/438880538.db2.gz XTCINFALKTYALA-HIFRSBDPSA-N 2 1 341.412 0.243 20 5 ECBDMP O=[N+]([O-])c1cnn(CCN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)c1 ZINC000903508520 586780459 /nfs/dbraw/zinc/78/04/59/586780459.db2.gz KDJDOLBTWOLBAT-GASCZTMLSA-N 2 1 334.424 0.692 20 5 ECBDMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C1 ZINC001023091340 736480067 /nfs/dbraw/zinc/48/00/67/736480067.db2.gz VNEFRKWBPCZPAV-TXEJJXNPSA-N 2 1 347.379 0.270 20 5 ECBDMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C1 ZINC001022437581 758726867 /nfs/dbraw/zinc/72/68/67/758726867.db2.gz RDSKGZNBINXVNN-TXEJJXNPSA-N 2 1 347.379 0.270 20 5 ECBDMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000348284257 438041489 /nfs/dbraw/zinc/04/14/89/438041489.db2.gz PNCYVKHDNWJIPU-GDBMZVCRSA-N 2 1 337.424 0.816 20 5 ECBDMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000348284257 438041495 /nfs/dbraw/zinc/04/14/95/438041495.db2.gz PNCYVKHDNWJIPU-GDBMZVCRSA-N 2 1 337.424 0.816 20 5 ECBDMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000348284257 438041500 /nfs/dbraw/zinc/04/15/00/438041500.db2.gz PNCYVKHDNWJIPU-GDBMZVCRSA-N 2 1 337.424 0.816 20 5 ECBDMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000348284257 438041504 /nfs/dbraw/zinc/04/15/04/438041504.db2.gz PNCYVKHDNWJIPU-GDBMZVCRSA-N 2 1 337.424 0.816 20 5 ECBDMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000591756739 439080605 /nfs/dbraw/zinc/08/06/05/439080605.db2.gz XMGSZQFXZUNGGF-MRXNPFEDSA-N 2 1 333.392 0.874 20 5 ECBDMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000591756739 439080612 /nfs/dbraw/zinc/08/06/12/439080612.db2.gz XMGSZQFXZUNGGF-MRXNPFEDSA-N 2 1 333.392 0.874 20 5 ECBDMP COc1ccc(NC(=O)[C@@H](C)[N@H+](C)CCOCC[NH3+])c([N+](=O)[O-])c1 ZINC000600734308 439697616 /nfs/dbraw/zinc/69/76/16/439697616.db2.gz NRTVUQMEHKCRRU-LLVKDONJSA-N 2 1 340.380 0.838 20 5 ECBDMP COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CCOCC[NH3+])c([N+](=O)[O-])c1 ZINC000600734308 439697618 /nfs/dbraw/zinc/69/76/18/439697618.db2.gz NRTVUQMEHKCRRU-LLVKDONJSA-N 2 1 340.380 0.838 20 5 ECBDMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000304418317 437160037 /nfs/dbraw/zinc/16/00/37/437160037.db2.gz FDQLSYRCZUQGMC-QEJZJMRPSA-N 2 1 325.413 0.814 20 5 ECBDMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000304418317 437160040 /nfs/dbraw/zinc/16/00/40/437160040.db2.gz FDQLSYRCZUQGMC-QEJZJMRPSA-N 2 1 325.413 0.814 20 5 ECBDMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000304418317 437160046 /nfs/dbraw/zinc/16/00/46/437160046.db2.gz FDQLSYRCZUQGMC-QEJZJMRPSA-N 2 1 325.413 0.814 20 5 ECBDMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000581424257 439210236 /nfs/dbraw/zinc/21/02/36/439210236.db2.gz HERSJZNJMYNPLA-DZGCQCFKSA-N 2 1 325.413 0.862 20 5 ECBDMP C[C@@H]1CN(c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC001164640715 719166911 /nfs/dbraw/zinc/16/69/11/719166911.db2.gz VPMSOPWHAZZLBC-NEPJUHHUSA-N 2 1 335.412 0.323 20 5 ECBDMP C[C@@H]1CN(c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])[C@@H](C)C[N@H+]1C ZINC001164640715 719166918 /nfs/dbraw/zinc/16/69/18/719166918.db2.gz VPMSOPWHAZZLBC-NEPJUHHUSA-N 2 1 335.412 0.323 20 5 ECBDMP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000595906832 438885314 /nfs/dbraw/zinc/88/53/14/438885314.db2.gz OHXPTJLNQKTBAS-HUUCEWRRSA-N 2 1 341.412 0.195 20 5 ECBDMP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000595906832 438885319 /nfs/dbraw/zinc/88/53/19/438885319.db2.gz OHXPTJLNQKTBAS-HUUCEWRRSA-N 2 1 341.412 0.195 20 5 ECBDMP C[NH+](C)/C=C/c1cc(N2C[C@H]3COC[C@@H](C2)C3[NH3+])ncc1[N+](=O)[O-] ZINC001167186905 733039382 /nfs/dbraw/zinc/03/93/82/733039382.db2.gz QYJWUQCMJHNKQF-KUJBENRCSA-N 2 1 333.392 0.932 20 5 ECBDMP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420348463 209354169 /nfs/dbraw/zinc/35/41/69/209354169.db2.gz LXJIEDMJMVHUPO-CZUORRHYSA-N 2 1 347.419 0.901 20 5 ECBDMP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420348463 209354171 /nfs/dbraw/zinc/35/41/71/209354171.db2.gz LXJIEDMJMVHUPO-CZUORRHYSA-N 2 1 347.419 0.901 20 5 ECBDMP C[NH+]1CCN(C(=O)CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000121331613 436713816 /nfs/dbraw/zinc/71/38/16/436713816.db2.gz LAEMXKBSPGDDIL-CYBMUJFWSA-N 2 1 348.407 0.250 20 5 ECBDMP [NH3+]CCOCC[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000420364394 438401436 /nfs/dbraw/zinc/40/14/36/438401436.db2.gz CVESWBDZYMEHNK-UHFFFAOYSA-N 2 1 348.407 0.959 20 5 ECBDMP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@H]1C[NH2+]CCN1C ZINC000423478943 438680706 /nfs/dbraw/zinc/68/07/06/438680706.db2.gz NILXWWPYPFSNHE-SWLSCSKDSA-N 2 1 335.408 0.805 20 5 ECBDMP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000423478943 438680708 /nfs/dbraw/zinc/68/07/08/438680708.db2.gz NILXWWPYPFSNHE-SWLSCSKDSA-N 2 1 335.408 0.805 20 5 ECBDMP CC(C)C[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000515637155 438875775 /nfs/dbraw/zinc/87/57/75/438875775.db2.gz DQQLZWLLQONHFU-ZFWWWQNUSA-N 2 1 325.413 0.720 20 5 ECBDMP O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H]3CCC4(C[NH2+]C4)O3)CC2)cn1 ZINC000595892548 438879957 /nfs/dbraw/zinc/87/99/57/438879957.db2.gz RVIPFIFDFLIKFA-CQSZACIVSA-N 2 1 333.392 0.633 20 5 ECBDMP Cc1noc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000595365585 439714297 /nfs/dbraw/zinc/71/42/97/439714297.db2.gz OHDISMRJMUIFQY-UHFFFAOYSA-N 2 1 339.396 0.781 20 5 ECBDMP [NH3+]C[C@@H]1CC[N@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000843348423 589063111 /nfs/dbraw/zinc/06/31/11/589063111.db2.gz NELVDQXFVWCLLE-AWEZNQCLSA-N 2 1 347.419 0.524 20 5 ECBDMP [NH3+]C[C@@H]1CC[N@@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000843348423 589063114 /nfs/dbraw/zinc/06/31/14/589063114.db2.gz NELVDQXFVWCLLE-AWEZNQCLSA-N 2 1 347.419 0.524 20 5 ECBDMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000430638120 210395100 /nfs/dbraw/zinc/39/51/00/210395100.db2.gz MODJKGWUGNJKGC-CYBMUJFWSA-N 2 1 336.392 0.761 20 5 ECBDMP C[C@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000371300437 437915483 /nfs/dbraw/zinc/91/54/83/437915483.db2.gz ACZDKFNQPHPABV-GJZGRUSLSA-N 2 1 336.440 0.749 20 5 ECBDMP C[C@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000371300437 437915488 /nfs/dbraw/zinc/91/54/88/437915488.db2.gz ACZDKFNQPHPABV-GJZGRUSLSA-N 2 1 336.440 0.749 20 5 ECBDMP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358228299 438186780 /nfs/dbraw/zinc/18/67/80/438186780.db2.gz FKJVGOAZNUIWKX-LRDDRELGSA-N 2 1 336.392 0.968 20 5 ECBDMP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358228299 438186785 /nfs/dbraw/zinc/18/67/85/438186785.db2.gz FKJVGOAZNUIWKX-LRDDRELGSA-N 2 1 336.392 0.968 20 5 ECBDMP [NH3+][C@H]1CCC[C@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000422951018 438620253 /nfs/dbraw/zinc/62/02/53/438620253.db2.gz ZKVWRSCYEPKOKK-QWHCGFSZSA-N 2 1 328.394 0.343 20 5 ECBDMP CC(C)C[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000515637153 438877113 /nfs/dbraw/zinc/87/71/13/438877113.db2.gz DQQLZWLLQONHFU-UKRRQHHQSA-N 2 1 325.413 0.720 20 5 ECBDMP C[N@H+](CCN1CC[NH2+]CC1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000592472075 439235934 /nfs/dbraw/zinc/23/59/34/439235934.db2.gz IALJDCBTLMDIFP-MRXNPFEDSA-N 2 1 347.419 0.537 20 5 ECBDMP C[N@@H+](CCN1CC[NH2+]CC1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000592472075 439235936 /nfs/dbraw/zinc/23/59/36/439235936.db2.gz IALJDCBTLMDIFP-MRXNPFEDSA-N 2 1 347.419 0.537 20 5 ECBDMP C[N@@H+](CCN1CC[NH2+]CC1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000923283864 611223281 /nfs/dbraw/zinc/22/32/81/611223281.db2.gz DTUONGXXFUETCW-CQSZACIVSA-N 2 1 338.408 0.172 20 5 ECBDMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000348284259 438041749 /nfs/dbraw/zinc/04/17/49/438041749.db2.gz PNCYVKHDNWJIPU-GOEBONIOSA-N 2 1 337.424 0.816 20 5 ECBDMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000348284259 438041755 /nfs/dbraw/zinc/04/17/55/438041755.db2.gz PNCYVKHDNWJIPU-GOEBONIOSA-N 2 1 337.424 0.816 20 5 ECBDMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000348284259 438041760 /nfs/dbraw/zinc/04/17/60/438041760.db2.gz PNCYVKHDNWJIPU-GOEBONIOSA-N 2 1 337.424 0.816 20 5 ECBDMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000348284259 438041765 /nfs/dbraw/zinc/04/17/65/438041765.db2.gz PNCYVKHDNWJIPU-GOEBONIOSA-N 2 1 337.424 0.816 20 5 ECBDMP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@@H]1C[NH2+]CCN1C ZINC000423478944 438680851 /nfs/dbraw/zinc/68/08/51/438680851.db2.gz NILXWWPYPFSNHE-WFASDCNBSA-N 2 1 335.408 0.805 20 5 ECBDMP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000423478944 438680854 /nfs/dbraw/zinc/68/08/54/438680854.db2.gz NILXWWPYPFSNHE-WFASDCNBSA-N 2 1 335.408 0.805 20 5 ECBDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000517652559 438973271 /nfs/dbraw/zinc/97/32/71/438973271.db2.gz GNTFOEVQYGVOMU-UHFFFAOYSA-N 2 1 345.363 0.577 20 5 ECBDMP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000592472308 439237087 /nfs/dbraw/zinc/23/70/87/439237087.db2.gz WVRMGOUMJFMKDC-CYBMUJFWSA-N 2 1 335.408 0.759 20 5 ECBDMP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000592472308 439237088 /nfs/dbraw/zinc/23/70/88/439237088.db2.gz WVRMGOUMJFMKDC-CYBMUJFWSA-N 2 1 335.408 0.759 20 5 ECBDMP C[NH+](C)/C=C/c1cc(N2CCN3CC[NH2+]C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164406676 718838871 /nfs/dbraw/zinc/83/88/71/718838871.db2.gz UDTRAYUPIFFDQY-LYKUJDHUSA-N 2 1 332.408 0.616 20 5 ECBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@@H](Oc3ccncc3)C2)c1 ZINC000365682877 437950658 /nfs/dbraw/zinc/95/06/58/437950658.db2.gz WOCORRRPDAMKRU-UKRRQHHQSA-N 2 1 333.348 0.701 20 5 ECBDMP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000422936899 438618165 /nfs/dbraw/zinc/61/81/65/438618165.db2.gz NEWVWTMQGAZTNG-CHWSQXEVSA-N 2 1 328.394 0.343 20 5 ECBDMP CCC1([NH+](C)C)CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000602967607 439170632 /nfs/dbraw/zinc/17/06/32/439170632.db2.gz MKZDXIAQVPWPLR-CQSZACIVSA-N 2 1 325.413 0.958 20 5 ECBDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000597943343 439200857 /nfs/dbraw/zinc/20/08/57/439200857.db2.gz YSSMJFGSAHAUFG-NSHDSACASA-N 2 1 326.401 0.330 20 5 ECBDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000597943343 439200862 /nfs/dbraw/zinc/20/08/62/439200862.db2.gz YSSMJFGSAHAUFG-NSHDSACASA-N 2 1 326.401 0.330 20 5 ECBDMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000866708642 589760700 /nfs/dbraw/zinc/76/07/00/589760700.db2.gz MZJYNUGVPVGIGE-CFVMTHIKSA-N 2 1 332.360 0.962 20 5 ECBDMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000866708642 589760703 /nfs/dbraw/zinc/76/07/03/589760703.db2.gz MZJYNUGVPVGIGE-CFVMTHIKSA-N 2 1 332.360 0.962 20 5 ECBDMP CC(C)[N@H+](C)Cc1nn(-c2cc([N+](=O)[O-])cc[n+]2[O-])c2c1CC[NH2+]C2 ZINC001164681819 719603026 /nfs/dbraw/zinc/60/30/26/719603026.db2.gz APWBSVXBAXGJLU-UHFFFAOYSA-N 2 1 346.391 0.900 20 5 ECBDMP CC(C)[N@@H+](C)Cc1nn(-c2cc([N+](=O)[O-])cc[n+]2[O-])c2c1CC[NH2+]C2 ZINC001164681819 719603032 /nfs/dbraw/zinc/60/30/32/719603032.db2.gz APWBSVXBAXGJLU-UHFFFAOYSA-N 2 1 346.391 0.900 20 5 ECBDMP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000362391160 300188197 /nfs/dbraw/zinc/18/81/97/300188197.db2.gz MVUHSQRGGUYNNC-UKRRQHHQSA-N 2 1 325.413 0.816 20 5 ECBDMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000362391160 300188199 /nfs/dbraw/zinc/18/81/99/300188199.db2.gz MVUHSQRGGUYNNC-UKRRQHHQSA-N 2 1 325.413 0.816 20 5 ECBDMP C[NH+]1CCN([C@H]2CCCC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000120049108 436677534 /nfs/dbraw/zinc/67/75/34/436677534.db2.gz IZSILPLODKCVNQ-HNNXBMFYSA-N 2 1 336.440 0.893 20 5 ECBDMP C[NH+]1CCN([C@H]2CCCC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000120049108 436677538 /nfs/dbraw/zinc/67/75/38/436677538.db2.gz IZSILPLODKCVNQ-HNNXBMFYSA-N 2 1 336.440 0.893 20 5 ECBDMP C[NH+]1CCC2(CCC[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000368535608 438345852 /nfs/dbraw/zinc/34/58/52/438345852.db2.gz YIZFGIKBZIZFAV-OAHLLOKOSA-N 2 1 337.424 0.960 20 5 ECBDMP C[C@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1C[NH2+]C1 ZINC000422931235 438617177 /nfs/dbraw/zinc/61/71/77/438617177.db2.gz BEGAJZHWZLKECI-JTQLQIEISA-N 2 1 328.394 0.071 20 5 ECBDMP C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CCN1CC[NH2+]CC1 ZINC000592471991 439234975 /nfs/dbraw/zinc/23/49/75/439234975.db2.gz BTDROEPXMFSAKE-UHFFFAOYSA-N 2 1 335.408 0.760 20 5 ECBDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000855346926 589627889 /nfs/dbraw/zinc/62/78/89/589627889.db2.gz OPOQWKVIRUSHOK-NSHDSACASA-N 2 1 338.412 0.574 20 5 ECBDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000855346926 589627890 /nfs/dbraw/zinc/62/78/90/589627890.db2.gz OPOQWKVIRUSHOK-NSHDSACASA-N 2 1 338.412 0.574 20 5 ECBDMP C[N@@H+](CCN1CC[NH2+]CC1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000923283863 611223531 /nfs/dbraw/zinc/22/35/31/611223531.db2.gz DTUONGXXFUETCW-AWEZNQCLSA-N 2 1 338.408 0.172 20 5 ECBDMP C[N@@H+](CCN1CC[NH2+]CC1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000923285974 611224741 /nfs/dbraw/zinc/22/47/41/611224741.db2.gz KIHZIPWQRRBVCU-OAHLLOKOSA-N 2 1 338.408 0.172 20 5 ECBDMP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000422951016 274958053 /nfs/dbraw/zinc/95/80/53/274958053.db2.gz ZKVWRSCYEPKOKK-CHWSQXEVSA-N 2 1 328.394 0.343 20 5 ECBDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000596816005 439003381 /nfs/dbraw/zinc/00/33/81/439003381.db2.gz DHLREKCBDDVDBF-LBPRGKRZSA-N 2 1 338.412 0.805 20 5 ECBDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000596816005 439003388 /nfs/dbraw/zinc/00/33/88/439003388.db2.gz DHLREKCBDDVDBF-LBPRGKRZSA-N 2 1 338.412 0.805 20 5 ECBDMP COc1nc(SC)nc(NC(=[NH2+])NCCCC[NH3+])c1[N+](=O)[O-] ZINC001167877675 751508802 /nfs/dbraw/zinc/50/88/02/751508802.db2.gz JKEYOVKZDDQENW-UHFFFAOYSA-N 2 1 329.386 0.790 20 5 ECBDMP CCC[NH+]1CCC([N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000072630348 436049439 /nfs/dbraw/zinc/04/94/39/436049439.db2.gz GTHCIXFLURNIKM-HNNXBMFYSA-N 2 1 325.413 0.958 20 5 ECBDMP O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C[C@H]3CCC4(C[NH2+]C4)O3)C2)nc1 ZINC000595885396 438876124 /nfs/dbraw/zinc/87/61/24/438876124.db2.gz NIJWNYZNKKEMCW-TZMCWYRMSA-N 2 1 333.392 0.997 20 5 ECBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+]C1(CO)CC[NH2+]CC1 ZINC000595902251 438880465 /nfs/dbraw/zinc/88/04/65/438880465.db2.gz PJVDTCNILAQEAG-UHFFFAOYSA-N 2 1 336.392 0.936 20 5 ECBDMP O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)cn1 ZINC000903724511 586802345 /nfs/dbraw/zinc/80/23/45/586802345.db2.gz OETXFIVXDRPSLO-RDJZCZTQSA-N 2 1 347.419 0.880 20 5 ECBDMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000866710254 589761391 /nfs/dbraw/zinc/76/13/91/589761391.db2.gz WSYZGUZDXYQNAK-ZNMIVQPWSA-N 2 1 332.360 0.962 20 5 ECBDMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000866710254 589761394 /nfs/dbraw/zinc/76/13/94/589761394.db2.gz WSYZGUZDXYQNAK-ZNMIVQPWSA-N 2 1 332.360 0.962 20 5 ECBDMP O=C1[C@H](N2CC[NH2+]CC[NH2+]CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000923461533 611247035 /nfs/dbraw/zinc/24/70/35/611247035.db2.gz QOFREWLAZJCYPT-OAHLLOKOSA-N 2 1 333.392 0.195 20 5 ECBDMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C1 ZINC001020397093 772540675 /nfs/dbraw/zinc/54/06/75/772540675.db2.gz RDSKGZNBINXVNN-HAQNSBGRSA-N 2 1 347.379 0.270 20 5 ECBDMP C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)N1CC[NH2+]CC1 ZINC000430643408 210394393 /nfs/dbraw/zinc/39/43/93/210394393.db2.gz LSWGSFSGCIKNJJ-UHFFFAOYSA-N 2 1 349.391 0.287 20 5 ECBDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000286347794 264391214 /nfs/dbraw/zinc/39/12/14/264391214.db2.gz IYIIFJCVIAMTLG-LBPRGKRZSA-N 2 1 338.412 0.806 20 5 ECBDMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)CC1 ZINC000530665364 302022195 /nfs/dbraw/zinc/02/21/95/302022195.db2.gz CWMSPLCYHFJQIJ-HNNXBMFYSA-N 2 1 336.440 0.892 20 5 ECBDMP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000245431056 436763253 /nfs/dbraw/zinc/76/32/53/436763253.db2.gz NWDVHAIYFMTKOK-UKRRQHHQSA-N 2 1 325.413 0.816 20 5 ECBDMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000245431056 436763255 /nfs/dbraw/zinc/76/32/55/436763255.db2.gz NWDVHAIYFMTKOK-UKRRQHHQSA-N 2 1 325.413 0.816 20 5 ECBDMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000245431056 436763257 /nfs/dbraw/zinc/76/32/57/436763257.db2.gz NWDVHAIYFMTKOK-UKRRQHHQSA-N 2 1 325.413 0.816 20 5 ECBDMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000245431056 436763260 /nfs/dbraw/zinc/76/32/60/436763260.db2.gz NWDVHAIYFMTKOK-UKRRQHHQSA-N 2 1 325.413 0.816 20 5 ECBDMP C[NH+]1CCC2(CC1)C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)CCO2 ZINC000592184252 439174011 /nfs/dbraw/zinc/17/40/11/439174011.db2.gz HOGJRLXLNSSZSI-UHFFFAOYSA-N 2 1 336.392 0.553 20 5 ECBDMP C[NH+]1CCC2(CC1)C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)CCO2 ZINC000592184252 439174016 /nfs/dbraw/zinc/17/40/16/439174016.db2.gz HOGJRLXLNSSZSI-UHFFFAOYSA-N 2 1 336.392 0.553 20 5 ECBDMP Cc1ccc(NCCC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[nH+]c1 ZINC000573357904 439642521 /nfs/dbraw/zinc/64/25/21/439642521.db2.gz HMNNWLMHXMQELN-AWEZNQCLSA-N 2 1 334.380 0.947 20 5 ECBDMP Cc1[nH]nc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000870023010 589990142 /nfs/dbraw/zinc/99/01/42/589990142.db2.gz IMKGNCXRPSJMJG-VXGBXAGGSA-N 2 1 338.412 0.438 20 5 ECBDMP O=C(CN1CC[NH2+]CC[NH2+]CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000923465580 611246398 /nfs/dbraw/zinc/24/63/98/611246398.db2.gz IPJVBONIKUHSCW-UHFFFAOYSA-N 2 1 341.799 0.682 20 5 ECBDMP C[NH+](C)/C=C\c1cc(N2CCN3CC[NH2+]C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164406678 718838778 /nfs/dbraw/zinc/83/87/78/718838778.db2.gz UDTRAYUPIFFDQY-PKXJPQMGSA-N 2 1 332.408 0.616 20 5 ECBDMP C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001164640718 719167194 /nfs/dbraw/zinc/16/71/94/719167194.db2.gz VPMSOPWHAZZLBC-NWDGAFQWSA-N 2 1 335.412 0.323 20 5 ECBDMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001164640718 719167200 /nfs/dbraw/zinc/16/72/00/719167200.db2.gz VPMSOPWHAZZLBC-NWDGAFQWSA-N 2 1 335.412 0.323 20 5 ECBDMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000430603928 210387262 /nfs/dbraw/zinc/38/72/62/210387262.db2.gz OVTNOVOVWXVBCP-CYBMUJFWSA-N 2 1 336.392 0.761 20 5 ECBDMP O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000304315404 437157172 /nfs/dbraw/zinc/15/71/72/437157172.db2.gz OBELOEVCPNYZIL-HOCLYGCPSA-N 2 1 337.424 0.960 20 5 ECBDMP O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000304315404 437157176 /nfs/dbraw/zinc/15/71/76/437157176.db2.gz OBELOEVCPNYZIL-HOCLYGCPSA-N 2 1 337.424 0.960 20 5 ECBDMP CC(C)C[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000515637146 438877201 /nfs/dbraw/zinc/87/72/01/438877201.db2.gz DQQLZWLLQONHFU-DZGCQCFKSA-N 2 1 325.413 0.720 20 5 ECBDMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000591756738 439080713 /nfs/dbraw/zinc/08/07/13/439080713.db2.gz XMGSZQFXZUNGGF-INIZCTEOSA-N 2 1 333.392 0.874 20 5 ECBDMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000591756738 439080718 /nfs/dbraw/zinc/08/07/18/439080718.db2.gz XMGSZQFXZUNGGF-INIZCTEOSA-N 2 1 333.392 0.874 20 5 ECBDMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000581424259 439209675 /nfs/dbraw/zinc/20/96/75/439209675.db2.gz HERSJZNJMYNPLA-UKRRQHHQSA-N 2 1 325.413 0.862 20 5 ECBDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCc1cccc([N+](=O)[O-])c1 ZINC000849001512 589318360 /nfs/dbraw/zinc/31/83/60/589318360.db2.gz QPQLUBUWFJHGEV-UHFFFAOYSA-N 2 1 335.408 0.974 20 5 ECBDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000596360412 438958718 /nfs/dbraw/zinc/95/87/18/438958718.db2.gz GXCZLJWDWILJMP-NSHDSACASA-N 2 1 338.412 0.773 20 5 ECBDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000596360412 438958722 /nfs/dbraw/zinc/95/87/22/438958722.db2.gz GXCZLJWDWILJMP-NSHDSACASA-N 2 1 338.412 0.773 20 5 ECBDMP CCc1n[nH]c(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000597942239 439201220 /nfs/dbraw/zinc/20/12/20/439201220.db2.gz IVMHIJQJPXPSDE-NSHDSACASA-N 2 1 340.428 0.882 20 5 ECBDMP CCc1n[nH]c(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000597942239 439201226 /nfs/dbraw/zinc/20/12/26/439201226.db2.gz IVMHIJQJPXPSDE-NSHDSACASA-N 2 1 340.428 0.882 20 5 ECBDMP O=C([C@H]1CCC[N@H+](Cc2cccnc2[N+](=O)[O-])C1)N1CC[NH2+]CC1 ZINC000886827814 590886686 /nfs/dbraw/zinc/88/66/86/590886686.db2.gz SAQNZVINLCQFOB-AWEZNQCLSA-N 2 1 333.392 0.634 20 5 ECBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000923387101 611236653 /nfs/dbraw/zinc/23/66/53/611236653.db2.gz UAQJCUHPOAVESR-GOEBONIOSA-N 2 1 337.424 0.864 20 5 ECBDMP O=[N+]([O-])c1cnc(N2CC[NH+](C[C@H]3CCCO3)CC2)nc1C1C[NH2+]C1 ZINC001165041708 721926911 /nfs/dbraw/zinc/92/69/11/721926911.db2.gz AVZHNEDJPCHTLP-CYBMUJFWSA-N 2 1 348.407 0.373 20 5 ECBDMP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@@H]1C[NH2+]CCN1C ZINC000423478934 438680837 /nfs/dbraw/zinc/68/08/37/438680837.db2.gz NILXWWPYPFSNHE-DOMZBBRYSA-N 2 1 335.408 0.805 20 5 ECBDMP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000423478934 438680841 /nfs/dbraw/zinc/68/08/41/438680841.db2.gz NILXWWPYPFSNHE-DOMZBBRYSA-N 2 1 335.408 0.805 20 5 ECBDMP Cc1c(NC(=O)CC[NH2+]C2(CO)CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000595901639 438881829 /nfs/dbraw/zinc/88/18/29/438881829.db2.gz GJKBHSFGPDFQGL-UHFFFAOYSA-N 2 1 336.392 0.936 20 5 ECBDMP O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@H](O)C[NH+]2CCCC2)c1 ZINC000592430260 439226557 /nfs/dbraw/zinc/22/65/57/439226557.db2.gz RNENHQVSTGHSHT-GJZGRUSLSA-N 2 1 339.392 0.381 20 5 ECBDMP O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000582063255 439285843 /nfs/dbraw/zinc/28/58/43/439285843.db2.gz VRXCMNVLPDRDKM-KGLIPLIRSA-N 2 1 339.392 0.381 20 5 ECBDMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000531340868 322038342 /nfs/dbraw/zinc/03/83/42/322038342.db2.gz ZFJYSMPMHGXNRV-HNNXBMFYSA-N 2 1 336.440 0.892 20 5 ECBDMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000819059169 587466564 /nfs/dbraw/zinc/46/65/64/587466564.db2.gz BLSNFDNRGNHQQO-HNNXBMFYSA-N 2 1 336.392 0.382 20 5 ECBDMP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420348462 209354677 /nfs/dbraw/zinc/35/46/77/209354677.db2.gz LXJIEDMJMVHUPO-CJNGLKHVSA-N 2 1 347.419 0.901 20 5 ECBDMP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420348462 209354679 /nfs/dbraw/zinc/35/46/79/209354679.db2.gz LXJIEDMJMVHUPO-CJNGLKHVSA-N 2 1 347.419 0.901 20 5 ECBDMP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000355927655 299321342 /nfs/dbraw/zinc/32/13/42/299321342.db2.gz BLSOXHLRSJYISA-GFCCVEGCSA-N 2 1 325.413 0.853 20 5 ECBDMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000355927655 299321343 /nfs/dbraw/zinc/32/13/43/299321343.db2.gz BLSOXHLRSJYISA-GFCCVEGCSA-N 2 1 325.413 0.853 20 5 ECBDMP C[NH+](C)CCC[C@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000595906831 438884195 /nfs/dbraw/zinc/88/41/95/438884195.db2.gz OHXPTJLNQKTBAS-GJZGRUSLSA-N 2 1 341.412 0.195 20 5 ECBDMP C[NH+](C)CCC[C@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000595906831 438884200 /nfs/dbraw/zinc/88/42/00/438884200.db2.gz OHXPTJLNQKTBAS-GJZGRUSLSA-N 2 1 341.412 0.195 20 5 ECBDMP C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CCN1CC[NH2+]CC1 ZINC000592472328 439235914 /nfs/dbraw/zinc/23/59/14/439235914.db2.gz ZPOBQNGVUWSRLQ-UHFFFAOYSA-N 2 1 335.408 0.760 20 5 ECBDMP COc1ccc(OCC[N@@H+](C)CCN2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000592472301 439236841 /nfs/dbraw/zinc/23/68/41/439236841.db2.gz VGAIXKVKIVFCDY-UHFFFAOYSA-N 2 1 338.408 0.819 20 5 ECBDMP C[N@@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)CCOCC[NH3+] ZINC000600737582 439697455 /nfs/dbraw/zinc/69/74/55/439697455.db2.gz WMZAADRDZFKPPH-UHFFFAOYSA-N 2 1 338.364 0.800 20 5 ECBDMP Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879594607 590326853 /nfs/dbraw/zinc/32/68/53/590326853.db2.gz NYGNTLXTECYZAA-UHFFFAOYSA-N 2 1 336.440 0.812 20 5 ECBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000923359010 611232695 /nfs/dbraw/zinc/23/26/95/611232695.db2.gz NWMUBLARJPYMES-IJEWVQPXSA-N 2 1 337.424 0.864 20 5 ECBDMP O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@@H](Oc3ccncc3)C2)c1 ZINC000365682868 437950061 /nfs/dbraw/zinc/95/00/61/437950061.db2.gz WOCORRRPDAMKRU-DZGCQCFKSA-N 2 1 333.348 0.701 20 5 ECBDMP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000367623966 438229651 /nfs/dbraw/zinc/22/96/51/438229651.db2.gz SGQFMROMHPJTCE-OAHLLOKOSA-N 2 1 336.440 0.751 20 5 ECBDMP C[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378424560 438384833 /nfs/dbraw/zinc/38/48/33/438384833.db2.gz FBXFRZCKYFHGOD-HNNXBMFYSA-N 2 1 336.440 0.892 20 5 ECBDMP CC[NH+]1CCN([C@H]2CC[N@@H+](CCn3c(C)ncc3[N+](=O)[O-])C2)CC1 ZINC000602778484 439133956 /nfs/dbraw/zinc/13/39/56/439133956.db2.gz YMXKLEKOUNPBRI-HNNXBMFYSA-N 2 1 336.440 0.812 20 5 ECBDMP O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC[C@H](N3CC[NH2+]CC3)C1)OCCO2 ZINC000592434550 439226572 /nfs/dbraw/zinc/22/65/72/439226572.db2.gz LHXKOIXBHYHVCQ-AWEZNQCLSA-N 2 1 348.403 0.846 20 5 ECBDMP O=[N+]([O-])c1cc2c(cc1C[N@H+]1CC[C@H](N3CC[NH2+]CC3)C1)OCCO2 ZINC000592434550 439226576 /nfs/dbraw/zinc/22/65/76/439226576.db2.gz LHXKOIXBHYHVCQ-AWEZNQCLSA-N 2 1 348.403 0.846 20 5 ECBDMP NC(=O)c1ccc(C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c([N+](=O)[O-])c1 ZINC000583145289 439426346 /nfs/dbraw/zinc/42/63/46/439426346.db2.gz IDURKWLTGUIYDC-AWEZNQCLSA-N 2 1 348.403 0.881 20 5 ECBDMP NC(=O)c1ccc(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c([N+](=O)[O-])c1 ZINC000583145289 439426349 /nfs/dbraw/zinc/42/63/49/439426349.db2.gz IDURKWLTGUIYDC-AWEZNQCLSA-N 2 1 348.403 0.881 20 5 ECBDMP O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000923387103 611236748 /nfs/dbraw/zinc/23/67/48/611236748.db2.gz UAQJCUHPOAVESR-ZBFHGGJFSA-N 2 1 337.424 0.864 20 5 ECBDMP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000245431054 436761859 /nfs/dbraw/zinc/76/18/59/436761859.db2.gz NWDVHAIYFMTKOK-DZGCQCFKSA-N 2 1 325.413 0.816 20 5 ECBDMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000245431054 436761864 /nfs/dbraw/zinc/76/18/64/436761864.db2.gz NWDVHAIYFMTKOK-DZGCQCFKSA-N 2 1 325.413 0.816 20 5 ECBDMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000245431054 436761867 /nfs/dbraw/zinc/76/18/67/436761867.db2.gz NWDVHAIYFMTKOK-DZGCQCFKSA-N 2 1 325.413 0.816 20 5 ECBDMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000245431054 436761868 /nfs/dbraw/zinc/76/18/68/436761868.db2.gz NWDVHAIYFMTKOK-DZGCQCFKSA-N 2 1 325.413 0.816 20 5 ECBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C1(CO)CC[NH2+]CC1 ZINC000595901755 438882304 /nfs/dbraw/zinc/88/23/04/438882304.db2.gz IKWBBTSFVXZVMK-UHFFFAOYSA-N 2 1 336.392 0.936 20 5 ECBDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000597941893 439200819 /nfs/dbraw/zinc/20/08/19/439200819.db2.gz GLOSNWPIJVYMSS-NSHDSACASA-N 2 1 338.412 0.574 20 5 ECBDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000597941893 439200821 /nfs/dbraw/zinc/20/08/21/439200821.db2.gz GLOSNWPIJVYMSS-NSHDSACASA-N 2 1 338.412 0.574 20 5 ECBDMP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CCN1CC[NH2+]CC1 ZINC000592472127 439236227 /nfs/dbraw/zinc/23/62/27/439236227.db2.gz NIEZLGOVTRMEID-ZDUSSCGKSA-N 2 1 335.408 0.759 20 5 ECBDMP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000592472127 439236230 /nfs/dbraw/zinc/23/62/30/439236230.db2.gz NIEZLGOVTRMEID-ZDUSSCGKSA-N 2 1 335.408 0.759 20 5 ECBDMP NC(=O)c1ccc(C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c([N+](=O)[O-])c1 ZINC000583145292 439426586 /nfs/dbraw/zinc/42/65/86/439426586.db2.gz IDURKWLTGUIYDC-CQSZACIVSA-N 2 1 348.403 0.881 20 5 ECBDMP NC(=O)c1ccc(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c([N+](=O)[O-])c1 ZINC000583145292 439426588 /nfs/dbraw/zinc/42/65/88/439426588.db2.gz IDURKWLTGUIYDC-CQSZACIVSA-N 2 1 348.403 0.881 20 5 ECBDMP C[NH+](C)CCOc1cc(-n2cnc(C[NH3+])cc2=N)ccc1[N+](=O)[O-] ZINC001167359386 734006781 /nfs/dbraw/zinc/00/67/81/734006781.db2.gz PHKYOKIWMTZARX-UHFFFAOYSA-N 2 1 332.364 0.659 20 5 ECBDMP Cc1[nH]nc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000264885438 247007071 /nfs/dbraw/zinc/00/70/71/247007071.db2.gz IUQBWCYFVFLXBP-UHFFFAOYSA-N 2 1 340.428 0.972 20 5 ECBDMP CN1CCC([N@H+]2CC[C@H](NC(=O)Cn3ccc([N+](=O)[O-])n3)C2)CC1 ZINC000362712863 300212493 /nfs/dbraw/zinc/21/24/93/300212493.db2.gz YDLABCRMKWQWFV-LBPRGKRZSA-N 2 1 336.396 0.076 20 5 ECBDMP C[NH+]1CCC(N2CC[C@H](NC(=O)Cn3ccc([N+](=O)[O-])n3)C2)CC1 ZINC000362712863 300212496 /nfs/dbraw/zinc/21/24/96/300212496.db2.gz YDLABCRMKWQWFV-LBPRGKRZSA-N 2 1 336.396 0.076 20 5 ECBDMP C[NH+](C)CCC[C@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000595906826 438884485 /nfs/dbraw/zinc/88/44/85/438884485.db2.gz OHXPTJLNQKTBAS-CABCVRRESA-N 2 1 341.412 0.195 20 5 ECBDMP C[NH+](C)CCC[C@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000595906826 438884487 /nfs/dbraw/zinc/88/44/87/438884487.db2.gz OHXPTJLNQKTBAS-CABCVRRESA-N 2 1 341.412 0.195 20 5 ECBDMP C[N@@H+]1CC[C@](O)(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602612759 439117805 /nfs/dbraw/zinc/11/78/05/439117805.db2.gz QLZJSEAKMWFCQV-INIZCTEOSA-N 2 1 335.408 0.615 20 5 ECBDMP C[N@H+]1CC[C@](O)(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602612759 439117808 /nfs/dbraw/zinc/11/78/08/439117808.db2.gz QLZJSEAKMWFCQV-INIZCTEOSA-N 2 1 335.408 0.615 20 5 ECBDMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819062984 587466336 /nfs/dbraw/zinc/46/63/36/587466336.db2.gz VFXUYDRHMSZCQJ-OAHLLOKOSA-N 2 1 336.392 0.382 20 5 ECBDMP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000362391162 300188175 /nfs/dbraw/zinc/18/81/75/300188175.db2.gz MVUHSQRGGUYNNC-ZFWWWQNUSA-N 2 1 325.413 0.816 20 5 ECBDMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000362391162 300188176 /nfs/dbraw/zinc/18/81/76/300188176.db2.gz MVUHSQRGGUYNNC-ZFWWWQNUSA-N 2 1 325.413 0.816 20 5 ECBDMP CN1CCC([N@H+]2CC[C@@H](NC(=O)Cn3ccc([N+](=O)[O-])n3)C2)CC1 ZINC000362712862 300212563 /nfs/dbraw/zinc/21/25/63/300212563.db2.gz YDLABCRMKWQWFV-GFCCVEGCSA-N 2 1 336.396 0.076 20 5 ECBDMP C[NH+]1CCC(N2CC[C@@H](NC(=O)Cn3ccc([N+](=O)[O-])n3)C2)CC1 ZINC000362712862 300212564 /nfs/dbraw/zinc/21/25/64/300212564.db2.gz YDLABCRMKWQWFV-GFCCVEGCSA-N 2 1 336.396 0.076 20 5 ECBDMP C[NH+]1CCN(C(=O)CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000121331434 436713776 /nfs/dbraw/zinc/71/37/76/436713776.db2.gz LAEMXKBSPGDDIL-ZDUSSCGKSA-N 2 1 348.407 0.250 20 5 ECBDMP C[NH+]1CCN([C@@H]2CCCC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000120048935 436677575 /nfs/dbraw/zinc/67/75/75/436677575.db2.gz IZSILPLODKCVNQ-OAHLLOKOSA-N 2 1 336.440 0.893 20 5 ECBDMP C[NH+]1CCN([C@@H]2CCCC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000120048935 436677580 /nfs/dbraw/zinc/67/75/80/436677580.db2.gz IZSILPLODKCVNQ-OAHLLOKOSA-N 2 1 336.440 0.893 20 5 ECBDMP C[NH+](C)/C=C\c1cc(N2CCN3CC[NH2+]C[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164406677 718838987 /nfs/dbraw/zinc/83/89/87/718838987.db2.gz UDTRAYUPIFFDQY-MFBWXBCUSA-N 2 1 332.408 0.616 20 5 ECBDMP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420352223 209356941 /nfs/dbraw/zinc/35/69/41/209356941.db2.gz ZFCFBYQKDPSMCD-CJNGLKHVSA-N 2 1 347.419 0.901 20 5 ECBDMP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420352223 209356946 /nfs/dbraw/zinc/35/69/46/209356946.db2.gz ZFCFBYQKDPSMCD-CJNGLKHVSA-N 2 1 347.419 0.901 20 5 ECBDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000554858635 438769318 /nfs/dbraw/zinc/76/93/18/438769318.db2.gz XYFORWCDHVXUSE-LBPRGKRZSA-N 2 1 338.412 0.806 20 5 ECBDMP C[NH+](C)CCC[N@H+](C)CCNc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000596426021 438960376 /nfs/dbraw/zinc/96/03/76/438960376.db2.gz ZKHIYSMGJXIVBO-UHFFFAOYSA-N 2 1 325.413 0.965 20 5 ECBDMP C[NH+](C)CCC[N@@H+](C)CCNc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000596426021 438960382 /nfs/dbraw/zinc/96/03/82/438960382.db2.gz ZKHIYSMGJXIVBO-UHFFFAOYSA-N 2 1 325.413 0.965 20 5 ECBDMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000866710253 589761712 /nfs/dbraw/zinc/76/17/12/589761712.db2.gz WSYZGUZDXYQNAK-KFWWJZLASA-N 2 1 332.360 0.962 20 5 ECBDMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000866710253 589761715 /nfs/dbraw/zinc/76/17/15/589761715.db2.gz WSYZGUZDXYQNAK-KFWWJZLASA-N 2 1 332.360 0.962 20 5 ECBDMP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000355927656 299321385 /nfs/dbraw/zinc/32/13/85/299321385.db2.gz BLSOXHLRSJYISA-LBPRGKRZSA-N 2 1 325.413 0.853 20 5 ECBDMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000355927656 299321386 /nfs/dbraw/zinc/32/13/86/299321386.db2.gz BLSOXHLRSJYISA-LBPRGKRZSA-N 2 1 325.413 0.853 20 5 ECBDMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000304418320 437159984 /nfs/dbraw/zinc/15/99/84/437159984.db2.gz FDQLSYRCZUQGMC-SNPRPXQTSA-N 2 1 325.413 0.814 20 5 ECBDMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000304418320 437159989 /nfs/dbraw/zinc/15/99/89/437159989.db2.gz FDQLSYRCZUQGMC-SNPRPXQTSA-N 2 1 325.413 0.814 20 5 ECBDMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000304418320 437159993 /nfs/dbraw/zinc/15/99/93/437159993.db2.gz FDQLSYRCZUQGMC-SNPRPXQTSA-N 2 1 325.413 0.814 20 5 ECBDMP O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)C2)nc1 ZINC000595885393 438877518 /nfs/dbraw/zinc/87/75/18/438877518.db2.gz NIJWNYZNKKEMCW-OCCSQVGLSA-N 2 1 333.392 0.997 20 5 ECBDMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000581424260 439209379 /nfs/dbraw/zinc/20/93/79/439209379.db2.gz HERSJZNJMYNPLA-ZFWWWQNUSA-N 2 1 325.413 0.862 20 5 ECBDMP [NH3+][C@@H]1C[C@@H]2C[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000568783176 439278578 /nfs/dbraw/zinc/27/85/78/439278578.db2.gz OTCWTWQUCDCNAN-ZIAGYGMSSA-N 2 1 347.375 0.167 20 5 ECBDMP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000568783176 439278582 /nfs/dbraw/zinc/27/85/82/439278582.db2.gz OTCWTWQUCDCNAN-ZIAGYGMSSA-N 2 1 347.375 0.167 20 5 ECBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000923359093 611233427 /nfs/dbraw/zinc/23/34/27/611233427.db2.gz NWMUBLARJPYMES-OFQRWUPVSA-N 2 1 337.424 0.864 20 5 ECBDMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000422951017 274957151 /nfs/dbraw/zinc/95/71/51/274957151.db2.gz ZKVWRSCYEPKOKK-OLZOCXBDSA-N 2 1 328.394 0.343 20 5 ECBDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000554858631 438770078 /nfs/dbraw/zinc/77/00/78/438770078.db2.gz XYFORWCDHVXUSE-GFCCVEGCSA-N 2 1 338.412 0.806 20 5 ECBDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000597943083 439201750 /nfs/dbraw/zinc/20/17/50/439201750.db2.gz UCOIBDIOWXKSDR-LBPRGKRZSA-N 2 1 326.401 0.180 20 5 ECBDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000597943083 439201755 /nfs/dbraw/zinc/20/17/55/439201755.db2.gz UCOIBDIOWXKSDR-LBPRGKRZSA-N 2 1 326.401 0.180 20 5 ECBDMP C[NH+]1CCN([C@@H]2CCCC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)CC1 ZINC000161863396 436898154 /nfs/dbraw/zinc/89/81/54/436898154.db2.gz KTBWEJZHMDNMNM-OAHLLOKOSA-N 2 1 336.440 0.893 20 5 ECBDMP C[NH+]1CCN([C@@H]2CCCC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)CC1 ZINC000161863396 436898159 /nfs/dbraw/zinc/89/81/59/436898159.db2.gz KTBWEJZHMDNMNM-OAHLLOKOSA-N 2 1 336.440 0.893 20 5 ECBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000304315400 437155860 /nfs/dbraw/zinc/15/58/60/437155860.db2.gz OBELOEVCPNYZIL-GOEBONIOSA-N 2 1 337.424 0.960 20 5 ECBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000304315400 437155866 /nfs/dbraw/zinc/15/58/66/437155866.db2.gz OBELOEVCPNYZIL-GOEBONIOSA-N 2 1 337.424 0.960 20 5 ECBDMP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420352224 438403630 /nfs/dbraw/zinc/40/36/30/438403630.db2.gz ZFCFBYQKDPSMCD-CZUORRHYSA-N 2 1 347.419 0.901 20 5 ECBDMP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420352224 438403634 /nfs/dbraw/zinc/40/36/34/438403634.db2.gz ZFCFBYQKDPSMCD-CZUORRHYSA-N 2 1 347.419 0.901 20 5 ECBDMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000304418316 437160108 /nfs/dbraw/zinc/16/01/08/437160108.db2.gz FDQLSYRCZUQGMC-CFVMTHIKSA-N 2 1 325.413 0.814 20 5 ECBDMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000304418316 437160112 /nfs/dbraw/zinc/16/01/12/437160112.db2.gz FDQLSYRCZUQGMC-CFVMTHIKSA-N 2 1 325.413 0.814 20 5 ECBDMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000304418316 437160114 /nfs/dbraw/zinc/16/01/14/437160114.db2.gz FDQLSYRCZUQGMC-CFVMTHIKSA-N 2 1 325.413 0.814 20 5 ECBDMP C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000371341311 437921934 /nfs/dbraw/zinc/92/19/34/437921934.db2.gz NCORBFBJNXMXCC-ZBFHGGJFSA-N 2 1 336.440 0.749 20 5 ECBDMP C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000371341311 437921938 /nfs/dbraw/zinc/92/19/38/437921938.db2.gz NCORBFBJNXMXCC-ZBFHGGJFSA-N 2 1 336.440 0.749 20 5 ECBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)c1 ZINC000365635550 437944264 /nfs/dbraw/zinc/94/42/64/437944264.db2.gz HBBLLCSMWUJGHS-DMRZNYOFSA-N 2 1 335.408 0.568 20 5 ECBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)c1 ZINC000365635550 437944268 /nfs/dbraw/zinc/94/42/68/437944268.db2.gz HBBLLCSMWUJGHS-DMRZNYOFSA-N 2 1 335.408 0.568 20 5 ECBDMP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000414974396 438724845 /nfs/dbraw/zinc/72/48/45/438724845.db2.gz KFFXETRAQNOCMB-SWLSCSKDSA-N 2 1 335.408 0.805 20 5 ECBDMP C[C@@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1C[NH2+]C1 ZINC000422931236 278347787 /nfs/dbraw/zinc/34/77/87/278347787.db2.gz BEGAJZHWZLKECI-SNVBAGLBSA-N 2 1 328.394 0.071 20 5 ECBDMP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358224649 438187573 /nfs/dbraw/zinc/18/75/73/438187573.db2.gz CCKZMHLXMRKHEH-BLLLJJGKSA-N 2 1 336.392 0.968 20 5 ECBDMP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358224649 438187580 /nfs/dbraw/zinc/18/75/80/438187580.db2.gz CCKZMHLXMRKHEH-BLLLJJGKSA-N 2 1 336.392 0.968 20 5 ECBDMP C[C@H]1C[N@@H+](CCC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCCO1 ZINC000564865347 438880291 /nfs/dbraw/zinc/88/02/91/438880291.db2.gz XTCINFALKTYALA-DZGCQCFKSA-N 2 1 341.412 0.243 20 5 ECBDMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CCn3c(C)ncc3[N+](=O)[O-])C2)CC1 ZINC000602778488 439135552 /nfs/dbraw/zinc/13/55/52/439135552.db2.gz YMXKLEKOUNPBRI-OAHLLOKOSA-N 2 1 336.440 0.812 20 5 ECBDMP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CCN1CC[NH2+]CC1 ZINC000592472126 439236320 /nfs/dbraw/zinc/23/63/20/439236320.db2.gz NIEZLGOVTRMEID-CYBMUJFWSA-N 2 1 335.408 0.759 20 5 ECBDMP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000592472126 439236323 /nfs/dbraw/zinc/23/63/23/439236323.db2.gz NIEZLGOVTRMEID-CYBMUJFWSA-N 2 1 335.408 0.759 20 5 ECBDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000286347788 264390928 /nfs/dbraw/zinc/39/09/28/264390928.db2.gz IYIIFJCVIAMTLG-GFCCVEGCSA-N 2 1 338.412 0.806 20 5 ECBDMP