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+](C)CC1CC[NH+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)CC1 ZINC000738076330 722528286 /nfs/dbraw/zinc/52/82/86/722528286.db2.gz KRYVEEIEYFHUHN-UHFFFAOYSA-N 2 1 350.444 3.103 20 5 FGBDMP CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000872036291 735580171 /nfs/dbraw/zinc/58/01/71/735580171.db2.gz RARGGHFSQVTDRH-ZBFHGGJFSA-N 2 1 367.515 3.204 20 5 FGBDMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000081572248 493920319 /nfs/dbraw/zinc/92/03/19/493920319.db2.gz VYMQXWDAAKBVQG-INIZCTEOSA-N 2 1 372.469 3.456 20 5 FGBDMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000081572248 493920323 /nfs/dbraw/zinc/92/03/23/493920323.db2.gz VYMQXWDAAKBVQG-INIZCTEOSA-N 2 1 372.469 3.456 20 5 FGBDMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000081572248 493920328 /nfs/dbraw/zinc/92/03/28/493920328.db2.gz VYMQXWDAAKBVQG-INIZCTEOSA-N 2 1 372.469 3.456 20 5 FGBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185684671 495678022 /nfs/dbraw/zinc/67/80/22/495678022.db2.gz KYCDJBWKGMETKB-HOTGVXAUSA-N 2 1 374.485 3.084 20 5 FGBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185684671 495678024 /nfs/dbraw/zinc/67/80/24/495678024.db2.gz KYCDJBWKGMETKB-HOTGVXAUSA-N 2 1 374.485 3.084 20 5 FGBDMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185740815 495704535 /nfs/dbraw/zinc/70/45/35/495704535.db2.gz TXBLLGTWSGDMQF-PMPSAXMXSA-N 2 1 374.485 3.164 20 5 FGBDMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185740815 495704541 /nfs/dbraw/zinc/70/45/41/495704541.db2.gz TXBLLGTWSGDMQF-PMPSAXMXSA-N 2 1 374.485 3.164 20 5 FGBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157454575 496480007 /nfs/dbraw/zinc/48/00/07/496480007.db2.gz FLHVRZIAXXKXIF-QGZVFWFLSA-N 2 1 374.485 3.182 20 5 FGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245514350 497437674 /nfs/dbraw/zinc/43/76/74/497437674.db2.gz BSOWBSHKLIGASN-PKOBYXMFSA-N 2 1 360.502 3.066 20 5 FGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245514350 497437675 /nfs/dbraw/zinc/43/76/75/497437675.db2.gz BSOWBSHKLIGASN-PKOBYXMFSA-N 2 1 360.502 3.066 20 5 FGBDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000245764070 497532286 /nfs/dbraw/zinc/53/22/86/497532286.db2.gz QIFVMJQFLGRGLD-HNAYVOBHSA-N 2 1 371.485 3.157 20 5 FGBDMP COc1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)cc1[N+](=O)[O-] ZINC000311600235 498752354 /nfs/dbraw/zinc/75/23/54/498752354.db2.gz GPCLIDPGYVBQDM-YJBOKZPZSA-N 2 1 355.438 3.356 20 5 FGBDMP CC[NH+]1CCC([N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C2CC2)CC1 ZINC000367108848 499150074 /nfs/dbraw/zinc/15/00/74/499150074.db2.gz GRWXOFKEPZNBCT-UHFFFAOYSA-N 2 1 374.485 3.181 20 5 FGBDMP CC[NH+]1CCC([N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C2CC2)CC1 ZINC000367108848 499150076 /nfs/dbraw/zinc/15/00/76/499150076.db2.gz GRWXOFKEPZNBCT-UHFFFAOYSA-N 2 1 374.485 3.181 20 5 FGBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](Oc2cccnc2N(C)C)C1 ZINC000451030743 501240533 /nfs/dbraw/zinc/24/05/33/501240533.db2.gz UOYOCDPNGFZAQC-CABCVRRESA-N 2 1 356.426 3.270 20 5 FGBDMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000482131829 501984624 /nfs/dbraw/zinc/98/46/24/501984624.db2.gz GTDFLSDEHCIHGR-HZPDHXFCSA-N 2 1 362.474 3.024 20 5 FGBDMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000481187279 502777793 /nfs/dbraw/zinc/77/77/93/502777793.db2.gz IUFIXSCCTOHWRF-DYESRHJHSA-N 2 1 369.465 3.474 20 5 FGBDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000481187279 502777797 /nfs/dbraw/zinc/77/77/97/502777797.db2.gz IUFIXSCCTOHWRF-DYESRHJHSA-N 2 1 369.465 3.474 20 5 FGBDMP COc1ccc(-c2ccc(C[N@@H+]3CC[C@H](C[NH+](C)C)C3)o2)c([N+](=O)[O-])c1 ZINC000540982413 503963971 /nfs/dbraw/zinc/96/39/71/503963971.db2.gz HCUXKIKSCKDLIY-CQSZACIVSA-N 2 1 359.426 3.247 20 5 FGBDMP COc1ccc(-c2ccc(C[N@H+]3CC[C@H](C[NH+](C)C)C3)o2)c([N+](=O)[O-])c1 ZINC000540982413 503963974 /nfs/dbraw/zinc/96/39/74/503963974.db2.gz HCUXKIKSCKDLIY-CQSZACIVSA-N 2 1 359.426 3.247 20 5 FGBDMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000542000397 504330515 /nfs/dbraw/zinc/33/05/15/504330515.db2.gz HDKAWGGRCNCDMS-MRXNPFEDSA-N 2 1 355.866 3.181 20 5 FGBDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000542000397 504330519 /nfs/dbraw/zinc/33/05/19/504330519.db2.gz HDKAWGGRCNCDMS-MRXNPFEDSA-N 2 1 355.866 3.181 20 5 FGBDMP C[NH+](C)CCOc1ccc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000589184916 506472766 /nfs/dbraw/zinc/47/27/66/506472766.db2.gz AAQCHCSJMUJDFA-UHFFFAOYSA-N 2 1 357.454 3.210 20 5 FGBDMP C[C@@H]1CC2(C[N@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1)CC[NH2+]CC2 ZINC000818339877 727308253 /nfs/dbraw/zinc/30/82/53/727308253.db2.gz GFZKOTMXGBJVLQ-GFCCVEGCSA-N 2 1 368.275 3.321 20 5 FGBDMP C[C@H]1CC2(C[N@H+]1Cc1c(Br)cccc1[N+](=O)[O-])CC[NH2+]CC2 ZINC000818431938 727311333 /nfs/dbraw/zinc/31/13/33/727311333.db2.gz WZCLSWJLPSNNRI-LBPRGKRZSA-N 2 1 368.275 3.321 20 5 FGBDMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000844910023 730788179 /nfs/dbraw/zinc/78/81/79/730788179.db2.gz GCBIAPSIIHMRFJ-XOKHGSTOSA-N 2 1 353.850 3.109 20 5 FGBDMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000844910023 730788181 /nfs/dbraw/zinc/78/81/81/730788181.db2.gz GCBIAPSIIHMRFJ-XOKHGSTOSA-N 2 1 353.850 3.109 20 5 FGBDMP Cc1c(NC(=O)CC[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000072718793 494239397 /nfs/dbraw/zinc/23/93/97/494239397.db2.gz ZJKQOIYGUDPPOG-QGZVFWFLSA-N 2 1 374.485 3.040 20 5 FGBDMP COc1ccc(-c2ccc(C[NH2+]C[C@H]3CCC[N@H+](C)C3)o2)c([N+](=O)[O-])c1 ZINC000108428201 494704817 /nfs/dbraw/zinc/70/48/17/494704817.db2.gz DZQHWQKKRSLYSX-CQSZACIVSA-N 2 1 359.426 3.295 20 5 FGBDMP COc1ccc(-c2ccc(C[NH2+]C[C@H]3CCC[N@@H+](C)C3)o2)c([N+](=O)[O-])c1 ZINC000108428201 494704826 /nfs/dbraw/zinc/70/48/26/494704826.db2.gz DZQHWQKKRSLYSX-CQSZACIVSA-N 2 1 359.426 3.295 20 5 FGBDMP Cc1c(NC(=O)CC[NH+]2CCC([NH2+]C3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000110034200 494941637 /nfs/dbraw/zinc/94/16/37/494941637.db2.gz RWTJURQBISWXGR-UHFFFAOYSA-N 2 1 374.485 3.228 20 5 FGBDMP C[C@H](Nc1ncnc2c1cnn2-c1cc[nH+]cc1)c1cccc([N+](=O)[O-])c1 ZINC000163340549 496502132 /nfs/dbraw/zinc/50/21/32/496502132.db2.gz ZPLQFMLISZEISK-LBPRGKRZSA-N 2 1 361.365 3.292 20 5 FGBDMP Cc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1[N+](=O)[O-] ZINC000246554310 497772954 /nfs/dbraw/zinc/77/29/54/497772954.db2.gz WSRNUBAPNZJMSH-ZAAXVRCTSA-N 2 1 361.486 3.322 20 5 FGBDMP CC[NH+]1CCN(C[C@@H](C)CNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000302675673 498529628 /nfs/dbraw/zinc/52/96/28/498529628.db2.gz PTGUMIOXRDRALI-HNNXBMFYSA-N 2 1 371.485 3.137 20 5 FGBDMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000417336404 500043455 /nfs/dbraw/zinc/04/34/55/500043455.db2.gz VEOGWWUBXKFSQW-OXQOHEQNSA-N 2 1 361.486 3.453 20 5 FGBDMP COc1ccc(-c2ccc(C[N@@H+](C)[C@H]3CCC[NH2+]CC3)o2)c([N+](=O)[O-])c1 ZINC000435445456 500979765 /nfs/dbraw/zinc/97/97/65/500979765.db2.gz FLZWNFWACGCUIQ-AWEZNQCLSA-N 2 1 359.426 3.437 20 5 FGBDMP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](Oc2cccnc2N(C)C)C1 ZINC000451030745 501240677 /nfs/dbraw/zinc/24/06/77/501240677.db2.gz UOYOCDPNGFZAQC-GJZGRUSLSA-N 2 1 356.426 3.270 20 5 FGBDMP Cc1ccc([C@@H](C)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000484160444 502589594 /nfs/dbraw/zinc/58/95/94/502589594.db2.gz HUQKOSQFYGWILI-DYESRHJHSA-N 2 1 369.465 3.191 20 5 FGBDMP C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501047230 502921571 /nfs/dbraw/zinc/92/15/71/502921571.db2.gz NMKUFIYJZKSREJ-UHFFFAOYSA-N 2 1 358.417 3.477 20 5 FGBDMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CC2)CC1 ZINC000515497119 503351097 /nfs/dbraw/zinc/35/10/97/503351097.db2.gz UAIQPXCPNITMOG-UHFFFAOYSA-N 2 1 374.485 3.038 20 5 FGBDMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000533447426 503849675 /nfs/dbraw/zinc/84/96/75/503849675.db2.gz YFSPBAHQNRGCDN-CVEARBPZSA-N 2 1 362.474 3.036 20 5 FGBDMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000533447426 503849682 /nfs/dbraw/zinc/84/96/82/503849682.db2.gz YFSPBAHQNRGCDN-CVEARBPZSA-N 2 1 362.474 3.036 20 5 FGBDMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000533447426 503849686 /nfs/dbraw/zinc/84/96/86/503849686.db2.gz YFSPBAHQNRGCDN-CVEARBPZSA-N 2 1 362.474 3.036 20 5 FGBDMP CC[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000558165298 505324921 /nfs/dbraw/zinc/32/49/21/505324921.db2.gz JYVDYVDFYAGZAR-SFHVURJKSA-N 2 1 358.442 3.171 20 5 FGBDMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC12CCOCC2 ZINC000567166750 505382619 /nfs/dbraw/zinc/38/26/19/505382619.db2.gz MWKROPSRUDDYDN-INIZCTEOSA-N 2 1 371.437 3.042 20 5 FGBDMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000595065311 507375175 /nfs/dbraw/zinc/37/51/75/507375175.db2.gz AACYOYWIKRVWKM-FOIQADDNSA-N 2 1 355.438 3.012 20 5 FGBDMP C[N@H+](CC1CC[NH+](C)CC1)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000103462055 700485808 /nfs/dbraw/zinc/48/58/08/700485808.db2.gz NAAIVFHSAYPENO-UHFFFAOYSA-N 2 1 350.444 3.103 20 5 FGBDMP C[N@@H+](CC1CC[NH+](C)CC1)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000103462055 700485810 /nfs/dbraw/zinc/48/58/10/700485810.db2.gz NAAIVFHSAYPENO-UHFFFAOYSA-N 2 1 350.444 3.103 20 5 FGBDMP Cc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1[N+](=O)[O-] ZINC000090522926 494477945 /nfs/dbraw/zinc/47/79/45/494477945.db2.gz WSRNUBAPNZJMSH-CVAIRZPRSA-N 2 1 361.486 3.322 20 5 FGBDMP O=C(C[NH+]1CCC(CCC[NH+]2CCCC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000121698895 494841482 /nfs/dbraw/zinc/84/14/82/494841482.db2.gz SSWSJPHGEUONQR-UHFFFAOYSA-N 2 1 374.485 3.121 20 5 FGBDMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000122102222 494924145 /nfs/dbraw/zinc/92/41/45/494924145.db2.gz FNRJPAHTQHFPDY-UHFFFAOYSA-N 2 1 367.465 3.304 20 5 FGBDMP CCC[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000124459307 495290825 /nfs/dbraw/zinc/29/08/25/495290825.db2.gz CPLHQWPJGYAOGP-HXUWFJFHSA-N 2 1 362.518 3.299 20 5 FGBDMP C[N@H+](CCOc1ccccc1[N+](=O)[O-])C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174403206 495943844 /nfs/dbraw/zinc/94/38/44/495943844.db2.gz NNWAIUAGZUFKMB-LJQANCHMSA-N 2 1 369.465 3.428 20 5 FGBDMP C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174403206 495943851 /nfs/dbraw/zinc/94/38/51/495943851.db2.gz NNWAIUAGZUFKMB-LJQANCHMSA-N 2 1 369.465 3.428 20 5 FGBDMP C[NH+](CCOc1ccccc1[N+](=O)[O-])C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174403206 495943856 /nfs/dbraw/zinc/94/38/56/495943856.db2.gz NNWAIUAGZUFKMB-LJQANCHMSA-N 2 1 369.465 3.428 20 5 FGBDMP C[NH+](CCOc1ccccc1[N+](=O)[O-])C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174403206 495943859 /nfs/dbraw/zinc/94/38/59/495943859.db2.gz NNWAIUAGZUFKMB-LJQANCHMSA-N 2 1 369.465 3.428 20 5 FGBDMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000191497796 496784835 /nfs/dbraw/zinc/78/48/35/496784835.db2.gz KJWFTSJVJNXNCT-HNNXBMFYSA-N 2 1 373.457 3.093 20 5 FGBDMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000191497796 496784836 /nfs/dbraw/zinc/78/48/36/496784836.db2.gz KJWFTSJVJNXNCT-HNNXBMFYSA-N 2 1 373.457 3.093 20 5 FGBDMP COc1ccc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000192919702 497245711 /nfs/dbraw/zinc/24/57/11/497245711.db2.gz XNYRXEDNUHQCKG-SFHVURJKSA-N 2 1 355.438 3.215 20 5 FGBDMP COc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000192919702 497245714 /nfs/dbraw/zinc/24/57/14/497245714.db2.gz XNYRXEDNUHQCKG-SFHVURJKSA-N 2 1 355.438 3.215 20 5 FGBDMP C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CC[NH+](C2CCOCC2)CC1 ZINC000367429923 499197979 /nfs/dbraw/zinc/19/79/79/499197979.db2.gz JSOKECCZDLLPRR-GQCTYLIASA-N 2 1 359.470 3.183 20 5 FGBDMP C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CC[NH+](C2CCOCC2)CC1 ZINC000367429923 499197981 /nfs/dbraw/zinc/19/79/81/499197981.db2.gz JSOKECCZDLLPRR-GQCTYLIASA-N 2 1 359.470 3.183 20 5 FGBDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000373459044 499471150 /nfs/dbraw/zinc/47/11/50/499471150.db2.gz JTPGVIKUXZFLQX-TYCQWZJGSA-N 2 1 369.465 3.128 20 5 FGBDMP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000414947258 499847724 /nfs/dbraw/zinc/84/77/24/499847724.db2.gz VYDGIPWWYBRPEB-MAUKXSAKSA-N 2 1 354.454 3.450 20 5 FGBDMP C[NH+](C)CCN1CCC(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417309847 500036162 /nfs/dbraw/zinc/03/61/62/500036162.db2.gz JDBJFUHOTOKODO-NRFANRHFSA-N 2 1 374.529 3.226 20 5 FGBDMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCCO1 ZINC000432439163 500516716 /nfs/dbraw/zinc/51/67/16/500516716.db2.gz GAIYOQMSUVATCE-APWZRJJASA-N 2 1 361.486 3.006 20 5 FGBDMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCCO1 ZINC000432439163 500516719 /nfs/dbraw/zinc/51/67/19/500516719.db2.gz GAIYOQMSUVATCE-APWZRJJASA-N 2 1 361.486 3.006 20 5 FGBDMP CC[NH+]1CCC(N2CCC[N@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000421020092 500556431 /nfs/dbraw/zinc/55/64/31/500556431.db2.gz YWKKZJDJMUYHHI-QGZVFWFLSA-N 2 1 360.502 3.148 20 5 FGBDMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447587670 500629772 /nfs/dbraw/zinc/62/97/72/500629772.db2.gz RRQWULBXEYADCF-FGTMMUONSA-N 2 1 363.506 3.233 20 5 FGBDMP Cc1ccc(N2CCC([NH2+][C@H](C)Cc3ccccc3[N+](=O)[O-])CC2)[nH+]c1 ZINC000449163082 500938306 /nfs/dbraw/zinc/93/83/06/500938306.db2.gz LFHXXQJQBQKAHR-MRXNPFEDSA-N 2 1 354.454 3.488 20 5 FGBDMP Cn1cc[nH+]c1[C@@H]1CCN(Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602663676 506252279 /nfs/dbraw/zinc/25/22/79/506252279.db2.gz BKJBTJMFKZRISS-SECBINFHSA-N 2 1 371.260 3.142 20 5 FGBDMP COc1ccc(-c2ccc(C[N@@H+]3CC[C@@H](C[NH+](C)C)C3)o2)c([N+](=O)[O-])c1 ZINC000540982412 503963804 /nfs/dbraw/zinc/96/38/04/503963804.db2.gz HCUXKIKSCKDLIY-AWEZNQCLSA-N 2 1 359.426 3.247 20 5 FGBDMP COc1ccc(-c2ccc(C[N@H+]3CC[C@@H](C[NH+](C)C)C3)o2)c([N+](=O)[O-])c1 ZINC000540982412 503963808 /nfs/dbraw/zinc/96/38/08/503963808.db2.gz HCUXKIKSCKDLIY-AWEZNQCLSA-N 2 1 359.426 3.247 20 5 FGBDMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000539818362 504701554 /nfs/dbraw/zinc/70/15/54/504701554.db2.gz XEXNBUFTQKRCOM-KXBFYZLASA-N 2 1 371.485 3.300 20 5 FGBDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000539818362 504701558 /nfs/dbraw/zinc/70/15/58/504701558.db2.gz XEXNBUFTQKRCOM-KXBFYZLASA-N 2 1 371.485 3.300 20 5 FGBDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000539818362 504701562 /nfs/dbraw/zinc/70/15/62/504701562.db2.gz XEXNBUFTQKRCOM-KXBFYZLASA-N 2 1 371.485 3.300 20 5 FGBDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000539818362 504701567 /nfs/dbraw/zinc/70/15/67/504701567.db2.gz XEXNBUFTQKRCOM-KXBFYZLASA-N 2 1 371.485 3.300 20 5 FGBDMP C[N@@H+]1CC[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccccc1 ZINC000550699236 505086402 /nfs/dbraw/zinc/08/64/02/505086402.db2.gz GBPDUBNVUIRNHS-PXNSSMCTSA-N 2 1 355.438 3.399 20 5 FGBDMP C[N@H+]1CC[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccccc1 ZINC000550699236 505086405 /nfs/dbraw/zinc/08/64/05/505086405.db2.gz GBPDUBNVUIRNHS-PXNSSMCTSA-N 2 1 355.438 3.399 20 5 FGBDMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595405205 507482553 /nfs/dbraw/zinc/48/25/53/507482553.db2.gz VNAHCZQLTPNBOU-UHFFFAOYSA-N 2 1 367.465 3.304 20 5 FGBDMP CC[C@H]1C[N@@H+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)CC[C@H]1[NH3+] ZINC000592427741 507653349 /nfs/dbraw/zinc/65/33/49/507653349.db2.gz WYKUJWCHYNPNQU-SUMWQHHRSA-N 2 1 359.426 3.423 20 5 FGBDMP CCC[NH+]1CCC(C[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000611560703 507738664 /nfs/dbraw/zinc/73/86/64/507738664.db2.gz YCOQMGAJCKNXSP-IBGZPJMESA-N 2 1 371.485 3.129 20 5 FGBDMP Cc1nc(C[NH+]2CCC(C[NH2+]CCc3ccc([N+](=O)[O-])cc3)CC2)oc1C ZINC000602539344 507741615 /nfs/dbraw/zinc/74/16/15/507741615.db2.gz KAERIRRCPCFUOB-UHFFFAOYSA-N 2 1 372.469 3.244 20 5 FGBDMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)C2)CC1 ZINC000568118977 505621920 /nfs/dbraw/zinc/62/19/20/505621920.db2.gz VPYWPGQGSSRTIW-CQSZACIVSA-N 2 1 369.412 3.360 20 5 FGBDMP C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CCN(CCc2ccccn2)CC1 ZINC000174655791 496048036 /nfs/dbraw/zinc/04/80/36/496048036.db2.gz HUFLQXRVPQMARC-UHFFFAOYSA-N 2 1 354.454 3.129 20 5 FGBDMP Cc1cc(NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302167151 498425305 /nfs/dbraw/zinc/42/53/05/498425305.db2.gz LATXJYSGNUKQKG-GASCZTMLSA-N 2 1 358.442 3.363 20 5 FGBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000368593582 499311418 /nfs/dbraw/zinc/31/14/18/499311418.db2.gz UAERHHSYJGAGAK-IEBWSBKVSA-N 2 1 360.502 3.065 20 5 FGBDMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000414982734 499851266 /nfs/dbraw/zinc/85/12/66/499851266.db2.gz SHZNIBLKZBLDNJ-MRXNPFEDSA-N 2 1 359.426 3.009 20 5 FGBDMP COc1ccc(-c2ccc(C[N@H+]3CCC[C@@H](CC[NH3+])C3)o2)c([N+](=O)[O-])c1 ZINC000442928470 500648394 /nfs/dbraw/zinc/64/83/94/500648394.db2.gz PLASSGCXMMZQFY-AWEZNQCLSA-N 2 1 359.426 3.424 20 5 FGBDMP COc1ccc(-c2ccc(C[N@@H+](C)[C@@H]3CCC[NH2+]CC3)o2)c([N+](=O)[O-])c1 ZINC000435445457 500979756 /nfs/dbraw/zinc/97/97/56/500979756.db2.gz FLZWNFWACGCUIQ-CQSZACIVSA-N 2 1 359.426 3.437 20 5 FGBDMP Cc1c(NC(=O)CC[N@@H+](CCC[NH3+])CC2CCCC2)cccc1[N+](=O)[O-] ZINC000489802097 503039221 /nfs/dbraw/zinc/03/92/21/503039221.db2.gz QRAQWPFIUJCNRZ-UHFFFAOYSA-N 2 1 362.474 3.073 20 5 FGBDMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000533310238 503804376 /nfs/dbraw/zinc/80/43/76/503804376.db2.gz FHPQHYSFBFAUAI-HZPDHXFCSA-N 2 1 362.474 3.036 20 5 FGBDMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000533310238 503804382 /nfs/dbraw/zinc/80/43/82/503804382.db2.gz FHPQHYSFBFAUAI-HZPDHXFCSA-N 2 1 362.474 3.036 20 5 FGBDMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000533310238 503804386 /nfs/dbraw/zinc/80/43/86/503804386.db2.gz FHPQHYSFBFAUAI-HZPDHXFCSA-N 2 1 362.474 3.036 20 5 FGBDMP CC[C@@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000558165297 505325195 /nfs/dbraw/zinc/32/51/95/505325195.db2.gz JYVDYVDFYAGZAR-GOSISDBHSA-N 2 1 358.442 3.171 20 5 FGBDMP C[NH+](C)CCC[C@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000597248301 506858022 /nfs/dbraw/zinc/85/80/22/506858022.db2.gz PMRVPGOPTCYWAE-SFHVURJKSA-N 2 1 373.453 3.397 20 5 FGBDMP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000597248301 506858030 /nfs/dbraw/zinc/85/80/30/506858030.db2.gz PMRVPGOPTCYWAE-SFHVURJKSA-N 2 1 373.453 3.397 20 5 FGBDMP O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)ccc1Br ZINC000843125838 730588842 /nfs/dbraw/zinc/58/88/42/730588842.db2.gz JJPHSCAFPJSBPT-KBPBESRZSA-N 2 1 368.275 3.179 20 5 FGBDMP Cc1c(NC(=O)CC[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cccc1[N+](=O)[O-] ZINC000072725295 494241830 /nfs/dbraw/zinc/24/18/30/494241830.db2.gz ZAKWUGZHEDQMNU-MRXNPFEDSA-N 2 1 362.474 3.038 20 5 FGBDMP Cc1c(NC(=O)CC[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000072725295 494241833 /nfs/dbraw/zinc/24/18/33/494241833.db2.gz ZAKWUGZHEDQMNU-MRXNPFEDSA-N 2 1 362.474 3.038 20 5 FGBDMP Cc1c(NC(=O)CC[NH+](C)CC[C@H]2CCCC[N@H+]2C)cccc1[N+](=O)[O-] ZINC000072725295 494241836 /nfs/dbraw/zinc/24/18/36/494241836.db2.gz ZAKWUGZHEDQMNU-MRXNPFEDSA-N 2 1 362.474 3.038 20 5 FGBDMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000182235967 496716277 /nfs/dbraw/zinc/71/62/77/496716277.db2.gz WFQNRNYCYHKWIJ-HRAATJIYSA-N 2 1 369.465 3.402 20 5 FGBDMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000182243568 496718572 /nfs/dbraw/zinc/71/85/72/496718572.db2.gz MYKMRCRZJJWLFZ-HRAATJIYSA-N 2 1 369.465 3.402 20 5 FGBDMP CC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000182273355 496724889 /nfs/dbraw/zinc/72/48/89/496724889.db2.gz PFVJBDDLJSNCSX-LEWJYISDSA-N 2 1 369.465 3.402 20 5 FGBDMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000191500918 496786092 /nfs/dbraw/zinc/78/60/92/496786092.db2.gz YDGLFYRNXOCDTD-UHFFFAOYSA-N 2 1 357.414 3.407 20 5 FGBDMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000191500918 496786093 /nfs/dbraw/zinc/78/60/93/496786093.db2.gz YDGLFYRNXOCDTD-UHFFFAOYSA-N 2 1 357.414 3.407 20 5 FGBDMP CC1(C)C[C@H]([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000279144409 497348198 /nfs/dbraw/zinc/34/81/98/497348198.db2.gz SDAWWEMVHZSHKP-QRWLVFNGSA-N 2 1 373.497 3.408 20 5 FGBDMP O=[N+]([O-])c1ccc(OC(F)F)c(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000578506713 505956712 /nfs/dbraw/zinc/95/67/12/505956712.db2.gz WRFFAPMDFZFHOG-ZDUSSCGKSA-N 2 1 355.385 3.018 20 5 FGBDMP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000414947260 499847707 /nfs/dbraw/zinc/84/77/07/499847707.db2.gz VYDGIPWWYBRPEB-YJBOKZPZSA-N 2 1 354.454 3.450 20 5 FGBDMP O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000415039707 499857144 /nfs/dbraw/zinc/85/71/44/499857144.db2.gz POMBDUYOZKXMED-HWWDLCQESA-N 2 1 359.813 3.348 20 5 FGBDMP CCOc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000432411983 500513075 /nfs/dbraw/zinc/51/30/75/500513075.db2.gz DDHXLFBFTCRNMF-JKSUJKDBSA-N 2 1 365.474 3.145 20 5 FGBDMP CCOc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000432411983 500513077 /nfs/dbraw/zinc/51/30/77/500513077.db2.gz DDHXLFBFTCRNMF-JKSUJKDBSA-N 2 1 365.474 3.145 20 5 FGBDMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602688731 506262033 /nfs/dbraw/zinc/26/20/33/506262033.db2.gz YNUCMXCACIZEHL-JTQLQIEISA-N 2 1 362.293 3.240 20 5 FGBDMP O=[N+]([O-])c1ccc(OCC[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000471026123 501894768 /nfs/dbraw/zinc/89/47/68/501894768.db2.gz UHGCAVKNTGQCSI-KDURUIRLSA-N 2 1 367.449 3.037 20 5 FGBDMP O=[N+]([O-])c1ccc(OCC[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000471026123 501894772 /nfs/dbraw/zinc/89/47/72/501894772.db2.gz UHGCAVKNTGQCSI-KDURUIRLSA-N 2 1 367.449 3.037 20 5 FGBDMP O=[N+]([O-])c1ccc(OCC[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000471026123 501894777 /nfs/dbraw/zinc/89/47/77/501894777.db2.gz UHGCAVKNTGQCSI-KDURUIRLSA-N 2 1 367.449 3.037 20 5 FGBDMP O=[N+]([O-])c1ccc(OCC[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000471026123 501894780 /nfs/dbraw/zinc/89/47/80/501894780.db2.gz UHGCAVKNTGQCSI-KDURUIRLSA-N 2 1 367.449 3.037 20 5 FGBDMP COc1ccc(-c2ccc(C[N@@H+]3CCC[C@]4(CC[NH2+]C4)C3)o2)c([N+](=O)[O-])c1 ZINC000489985911 503082758 /nfs/dbraw/zinc/08/27/58/503082758.db2.gz DACWTPSLBJYLRN-HXUWFJFHSA-N 2 1 371.437 3.439 20 5 FGBDMP COc1ccc(-c2ccc(C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)o2)c([N+](=O)[O-])c1 ZINC000489985911 503082761 /nfs/dbraw/zinc/08/27/61/503082761.db2.gz DACWTPSLBJYLRN-HXUWFJFHSA-N 2 1 371.437 3.439 20 5 FGBDMP CC(C)C[N@H+](C)CCC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000593647296 506713169 /nfs/dbraw/zinc/71/31/69/506713169.db2.gz WZBINTQLUHHRHJ-UHFFFAOYSA-N 2 1 359.474 3.063 20 5 FGBDMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000593647296 506713173 /nfs/dbraw/zinc/71/31/73/506713173.db2.gz WZBINTQLUHHRHJ-UHFFFAOYSA-N 2 1 359.474 3.063 20 5 FGBDMP Cc1c([C@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cccc1[N+](=O)[O-] ZINC000595066158 507374862 /nfs/dbraw/zinc/37/48/62/507374862.db2.gz DAZFJOYZAHPYOG-LPHOPBHVSA-N 2 1 369.465 3.321 20 5 FGBDMP Cc1c([C@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cccc1[N+](=O)[O-] ZINC000595066159 507375120 /nfs/dbraw/zinc/37/51/20/507375120.db2.gz DAZFJOYZAHPYOG-QFBILLFUSA-N 2 1 369.465 3.321 20 5 FGBDMP CC[N@H+]1CC[C@H]([NH+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@H](C)C1 ZINC000081096511 493831492 /nfs/dbraw/zinc/83/14/92/493831492.db2.gz GLFGDYVXHOLSAW-QAPCUYQASA-N 2 1 372.469 3.454 20 5 FGBDMP CC[NH+]1CC[C@H]([N@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@H](C)C1 ZINC000081096511 493831498 /nfs/dbraw/zinc/83/14/98/493831498.db2.gz GLFGDYVXHOLSAW-QAPCUYQASA-N 2 1 372.469 3.454 20 5 FGBDMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@H](C)C1 ZINC000081096511 493831503 /nfs/dbraw/zinc/83/15/03/493831503.db2.gz GLFGDYVXHOLSAW-QAPCUYQASA-N 2 1 372.469 3.454 20 5 FGBDMP C[C@H]1C[C@H]([NH+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC[N@@H+]1C ZINC000123922340 495207804 /nfs/dbraw/zinc/20/78/04/495207804.db2.gz SALLDUSPIHDWCV-GOEBONIOSA-N 2 1 358.442 3.207 20 5 FGBDMP C[C@H]1C[C@H]([NH+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC[N@H+]1C ZINC000123922340 495207808 /nfs/dbraw/zinc/20/78/08/495207808.db2.gz SALLDUSPIHDWCV-GOEBONIOSA-N 2 1 358.442 3.207 20 5 FGBDMP C[C@H]1C[C@H]([N@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC[NH+]1C ZINC000123922340 495207811 /nfs/dbraw/zinc/20/78/11/495207811.db2.gz SALLDUSPIHDWCV-GOEBONIOSA-N 2 1 358.442 3.207 20 5 FGBDMP C[C@H]1C[C@H]([N@@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC[NH+]1C ZINC000123922340 495207818 /nfs/dbraw/zinc/20/78/18/495207818.db2.gz SALLDUSPIHDWCV-GOEBONIOSA-N 2 1 358.442 3.207 20 5 FGBDMP Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)cccc1[N+](=O)[O-] ZINC000129549266 495260443 /nfs/dbraw/zinc/26/04/43/495260443.db2.gz FLEOTAPVTISJJW-JCKWVBRZSA-N 2 1 371.441 3.010 20 5 FGBDMP Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)cccc1[N+](=O)[O-] ZINC000129549266 495260446 /nfs/dbraw/zinc/26/04/46/495260446.db2.gz FLEOTAPVTISJJW-JCKWVBRZSA-N 2 1 371.441 3.010 20 5 FGBDMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185685112 495677926 /nfs/dbraw/zinc/67/79/26/495677926.db2.gz CROKWUZOBIFRJB-PMPSAXMXSA-N 2 1 374.485 3.164 20 5 FGBDMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185685112 495677929 /nfs/dbraw/zinc/67/79/29/495677929.db2.gz CROKWUZOBIFRJB-PMPSAXMXSA-N 2 1 374.485 3.164 20 5 FGBDMP O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@H](Oc3cccnc3N3CCCC3)C2)c1 ZINC000571721646 505798079 /nfs/dbraw/zinc/79/80/79/505798079.db2.gz HGGFXAZHRRKKFH-GOSISDBHSA-N 2 1 368.437 3.243 20 5 FGBDMP O=[N+]([O-])c1cccc(CN2CC[C@@H](Oc3cccnc3N3CCCC3)C2)c1 ZINC000571721646 505798083 /nfs/dbraw/zinc/79/80/83/505798083.db2.gz HGGFXAZHRRKKFH-GOSISDBHSA-N 2 1 368.437 3.243 20 5 FGBDMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000182243593 496718414 /nfs/dbraw/zinc/71/84/14/496718414.db2.gz MYKMRCRZJJWLFZ-IIBYNOLFSA-N 2 1 369.465 3.402 20 5 FGBDMP COc1ccc(-c2ccc(C[N@@H+]3CC[C@@]4(CC[NH2+]C4)C3)o2)c([N+](=O)[O-])c1 ZINC000262035864 497496460 /nfs/dbraw/zinc/49/64/60/497496460.db2.gz OOPNGXPJIHKNMZ-LJQANCHMSA-N 2 1 357.410 3.049 20 5 FGBDMP COc1ccc(-c2ccc(C[N@H+]3CC[C@@]4(CC[NH2+]C4)C3)o2)c([N+](=O)[O-])c1 ZINC000262035864 497496464 /nfs/dbraw/zinc/49/64/64/497496464.db2.gz OOPNGXPJIHKNMZ-LJQANCHMSA-N 2 1 357.410 3.049 20 5 FGBDMP Cn1cc(C[NH2+]CC2([NH3+])CCCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000414861908 499838969 /nfs/dbraw/zinc/83/89/69/499838969.db2.gz UBFCWLDNHYLBHJ-UHFFFAOYSA-N 2 1 357.458 3.137 20 5 FGBDMP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)CCCC2 ZINC000417315602 500038034 /nfs/dbraw/zinc/03/80/34/500038034.db2.gz SLMFDULKHQUQGU-UYAOXDASSA-N 2 1 361.486 3.189 20 5 FGBDMP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000435375131 500962318 /nfs/dbraw/zinc/96/23/18/500962318.db2.gz ZVNPOAVPAGGJOB-CQSZACIVSA-N 2 1 359.426 3.295 20 5 FGBDMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000435375131 500962320 /nfs/dbraw/zinc/96/23/20/500962320.db2.gz ZVNPOAVPAGGJOB-CQSZACIVSA-N 2 1 359.426 3.295 20 5 FGBDMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602688732 506261294 /nfs/dbraw/zinc/26/12/94/506261294.db2.gz YNUCMXCACIZEHL-SNVBAGLBSA-N 2 1 362.293 3.240 20 5 FGBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000468631034 502131395 /nfs/dbraw/zinc/13/13/95/502131395.db2.gz JFXSTBSJFNYKDC-QUHJONEVSA-N 2 1 361.486 3.477 20 5 FGBDMP CC[NH+]1CCN(CCCC[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000468634057 502132512 /nfs/dbraw/zinc/13/25/12/502132512.db2.gz ZKAGFVVLYAHXRX-SDXDJHTJSA-N 2 1 360.502 3.005 20 5 FGBDMP O=[N+]([O-])c1ccc(OC(F)F)c(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000470013975 502630008 /nfs/dbraw/zinc/63/00/08/502630008.db2.gz SZJUMWXEXXJDTH-HNNXBMFYSA-N 2 1 355.385 3.160 20 5 FGBDMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000532988506 503690463 /nfs/dbraw/zinc/69/04/63/503690463.db2.gz XWFZAIAEZIWYAK-GDBMZVCRSA-N 2 1 362.474 3.036 20 5 FGBDMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000532988506 503690467 /nfs/dbraw/zinc/69/04/67/503690467.db2.gz XWFZAIAEZIWYAK-GDBMZVCRSA-N 2 1 362.474 3.036 20 5 FGBDMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000532988506 503690470 /nfs/dbraw/zinc/69/04/70/503690470.db2.gz XWFZAIAEZIWYAK-GDBMZVCRSA-N 2 1 362.474 3.036 20 5 FGBDMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000562984360 505009342 /nfs/dbraw/zinc/00/93/42/505009342.db2.gz GFTZWQDBHUSTMO-INIZCTEOSA-N 2 1 362.474 3.168 20 5 FGBDMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000593729428 506749586 /nfs/dbraw/zinc/74/95/86/506749586.db2.gz DSWPBRWRIUFROZ-INMHGKMJSA-N 2 1 353.850 3.109 20 5 FGBDMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000593729428 506749604 /nfs/dbraw/zinc/74/96/04/506749604.db2.gz DSWPBRWRIUFROZ-INMHGKMJSA-N 2 1 353.850 3.109 20 5 FGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000595069819 507378109 /nfs/dbraw/zinc/37/81/09/507378109.db2.gz LDXPNUJPGIPLIT-OXJNMPFZSA-N 2 1 369.465 3.321 20 5 FGBDMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000093741924 494915848 /nfs/dbraw/zinc/91/58/48/494915848.db2.gz IFEVTBPBRKRROD-MRXNPFEDSA-N 2 1 371.485 3.159 20 5 FGBDMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000093741924 494915850 /nfs/dbraw/zinc/91/58/50/494915850.db2.gz IFEVTBPBRKRROD-MRXNPFEDSA-N 2 1 371.485 3.159 20 5 FGBDMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000093741924 494915852 /nfs/dbraw/zinc/91/58/52/494915852.db2.gz IFEVTBPBRKRROD-MRXNPFEDSA-N 2 1 371.485 3.159 20 5 FGBDMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000093741924 494915853 /nfs/dbraw/zinc/91/58/53/494915853.db2.gz IFEVTBPBRKRROD-MRXNPFEDSA-N 2 1 371.485 3.159 20 5 FGBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157454426 496479993 /nfs/dbraw/zinc/47/99/93/496479993.db2.gz FLHVRZIAXXKXIF-KRWDZBQOSA-N 2 1 374.485 3.182 20 5 FGBDMP CCC[C@@H]([NH2+]CCCCN1CC[NH+](CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000268792235 496787522 /nfs/dbraw/zinc/78/75/22/496787522.db2.gz DSESJMKLQKNUGD-HXUWFJFHSA-N 2 1 362.518 3.443 20 5 FGBDMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000192767431 497208422 /nfs/dbraw/zinc/20/84/22/497208422.db2.gz GKQNOWKQTVQMMI-GQIGUUNPSA-N 2 1 361.486 3.451 20 5 FGBDMP CCOc1cc(C[N@H+]2CCC[C@H](Cc3nccn3C)C2)ccc1[N+](=O)[O-] ZINC000365190726 498343679 /nfs/dbraw/zinc/34/36/79/498343679.db2.gz IOMWSVWLIHSOER-OAHLLOKOSA-N 2 1 358.442 3.182 20 5 FGBDMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ccc([N+](=O)[O-])cc3F)CC2)C[C@H](C)O1 ZINC000332094759 498559789 /nfs/dbraw/zinc/55/97/89/498559789.db2.gz BKGYBVQVTQCCNJ-GASCZTMLSA-N 2 1 365.449 3.055 20 5 FGBDMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ccc([N+](=O)[O-])cc3F)CC2)C[C@H](C)O1 ZINC000332094759 498559794 /nfs/dbraw/zinc/55/97/94/498559794.db2.gz BKGYBVQVTQCCNJ-GASCZTMLSA-N 2 1 365.449 3.055 20 5 FGBDMP Cc1c(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cccc1[N+](=O)[O-] ZINC000332108138 498563428 /nfs/dbraw/zinc/56/34/28/498563428.db2.gz HOACVHRIDWSUHU-IYBDPMFKSA-N 2 1 361.486 3.224 20 5 FGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000368593573 499311714 /nfs/dbraw/zinc/31/17/14/499311714.db2.gz UAERHHSYJGAGAK-HKUYNNGSSA-N 2 1 360.502 3.065 20 5 FGBDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000373459039 499471112 /nfs/dbraw/zinc/47/11/12/499471112.db2.gz JTPGVIKUXZFLQX-HBGVWJBISA-N 2 1 369.465 3.128 20 5 FGBDMP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C[C@@H]3CCOC3)CC1)CCCC2 ZINC000417313189 500037226 /nfs/dbraw/zinc/03/72/26/500037226.db2.gz OYWAMUCDUHJLFK-HRAATJIYSA-N 2 1 373.497 3.453 20 5 FGBDMP Cc1nccn1CCC[N@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425420876 500100511 /nfs/dbraw/zinc/10/05/11/500100511.db2.gz MXOSEYMZPZQICO-UHFFFAOYSA-N 2 1 367.247 3.384 20 5 FGBDMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425420876 500100519 /nfs/dbraw/zinc/10/05/19/500100519.db2.gz MXOSEYMZPZQICO-UHFFFAOYSA-N 2 1 367.247 3.384 20 5 FGBDMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447535125 500619330 /nfs/dbraw/zinc/61/93/30/500619330.db2.gz CVFAEMQAJVTOMH-SQNIBIBYSA-N 2 1 363.506 3.377 20 5 FGBDMP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000433093918 500624227 /nfs/dbraw/zinc/62/42/27/500624227.db2.gz WNFKIXLOJLTODW-BEFAXECRSA-N 2 1 361.486 3.408 20 5 FGBDMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000433093918 500624233 /nfs/dbraw/zinc/62/42/33/500624233.db2.gz WNFKIXLOJLTODW-BEFAXECRSA-N 2 1 361.486 3.408 20 5 FGBDMP C[C@H]1C[N@H+](CCC[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000433093925 500624658 /nfs/dbraw/zinc/62/46/58/500624658.db2.gz WNFKIXLOJLTODW-KXBFYZLASA-N 2 1 361.486 3.408 20 5 FGBDMP C[C@H]1C[N@@H+](CCC[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000433093925 500624660 /nfs/dbraw/zinc/62/46/60/500624660.db2.gz WNFKIXLOJLTODW-KXBFYZLASA-N 2 1 361.486 3.408 20 5 FGBDMP Cc1ccc([C@H](C)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000484160450 502589042 /nfs/dbraw/zinc/58/90/42/502589042.db2.gz HUQKOSQFYGWILI-UWJYYQICSA-N 2 1 369.465 3.191 20 5 FGBDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000481185680 502775854 /nfs/dbraw/zinc/77/58/54/502775854.db2.gz DWCKFVPCKWPESJ-IEBWSBKVSA-N 2 1 369.465 3.474 20 5 FGBDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000481185679 502776605 /nfs/dbraw/zinc/77/66/05/502776605.db2.gz DWCKFVPCKWPESJ-HKUYNNGSSA-N 2 1 369.465 3.474 20 5 FGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000540158704 503692862 /nfs/dbraw/zinc/69/28/62/503692862.db2.gz XCTUNJUOJKIBDU-BEVDRBHNSA-N 2 1 361.486 3.322 20 5 FGBDMP Cc1noc(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)c1[N+](=O)[O-] ZINC000595343557 507466232 /nfs/dbraw/zinc/46/62/32/507466232.db2.gz BIAQVPNGHHTZHK-CQSZACIVSA-N 2 1 350.463 3.368 20 5 FGBDMP Cc1noc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)c1[N+](=O)[O-] ZINC000595343557 507466239 /nfs/dbraw/zinc/46/62/39/507466239.db2.gz BIAQVPNGHHTZHK-CQSZACIVSA-N 2 1 350.463 3.368 20 5 FGBDMP C[NH+](C)CC1CC[NH+](Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000768300660 723653235 /nfs/dbraw/zinc/65/32/35/723653235.db2.gz BCEGUQBOPCGYOT-UHFFFAOYSA-N 2 1 356.264 3.131 20 5 FGBDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000809738544 725264082 /nfs/dbraw/zinc/26/40/82/725264082.db2.gz YVQUMTDLBJBISO-QGZVFWFLSA-N 2 1 368.909 3.096 20 5 FGBDMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000844910849 730788187 /nfs/dbraw/zinc/78/81/87/730788187.db2.gz KJBPPLCRANKTQF-XOKHGSTOSA-N 2 1 353.850 3.109 20 5 FGBDMP CC[N@@H+](C)C[C@H]1CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000072860043 494268811 /nfs/dbraw/zinc/26/88/11/494268811.db2.gz ODJDORQJYNTFKG-OAHLLOKOSA-N 2 1 358.442 3.066 20 5 FGBDMP CC[NH+](C)C[C@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000072860043 494268814 /nfs/dbraw/zinc/26/88/14/494268814.db2.gz ODJDORQJYNTFKG-OAHLLOKOSA-N 2 1 358.442 3.066 20 5 FGBDMP CC[NH+](C)C[C@H]1CC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000072860043 494268818 /nfs/dbraw/zinc/26/88/18/494268818.db2.gz ODJDORQJYNTFKG-OAHLLOKOSA-N 2 1 358.442 3.066 20 5 FGBDMP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@@H]3CCCC[C@H]3O)CC1)CCC2 ZINC000248830299 497112866 /nfs/dbraw/zinc/11/28/66/497112866.db2.gz HGOMYAKGAUKPJL-NJDAHSKKSA-N 2 1 373.497 3.330 20 5 FGBDMP C[C@H]1CC2(C[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC(F)F)CC[NH2+]CC2 ZINC000424385118 500494961 /nfs/dbraw/zinc/49/49/61/500494961.db2.gz VXYDIRJUNDEWML-LBPRGKRZSA-N 2 1 355.385 3.160 20 5 FGBDMP C[N@H+](CCC[NH3+])Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000576636433 506203157 /nfs/dbraw/zinc/20/31/57/506203157.db2.gz FLLMKJAWBPNUIS-UHFFFAOYSA-N 2 1 368.231 3.398 20 5 FGBDMP C[N@@H+](CCC[NH3+])Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000576636433 506203159 /nfs/dbraw/zinc/20/31/59/506203159.db2.gz FLLMKJAWBPNUIS-UHFFFAOYSA-N 2 1 368.231 3.398 20 5 FGBDMP COc1cc(C[N@@H+](C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)ccc1[N+](=O)[O-] ZINC000434747657 500888393 /nfs/dbraw/zinc/88/83/93/500888393.db2.gz PKIFADXHBNLUMA-PXNSSMCTSA-N 2 1 370.453 3.123 20 5 FGBDMP COc1cc(CN(C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)ccc1[N+](=O)[O-] ZINC000434747657 500888398 /nfs/dbraw/zinc/88/83/98/500888398.db2.gz PKIFADXHBNLUMA-PXNSSMCTSA-N 2 1 370.453 3.123 20 5 FGBDMP COc1cc(CN(C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)ccc1[N+](=O)[O-] ZINC000434747657 500888401 /nfs/dbraw/zinc/88/84/01/500888401.db2.gz PKIFADXHBNLUMA-PXNSSMCTSA-N 2 1 370.453 3.123 20 5 FGBDMP CC[NH+]1CCN(CCCC[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000468634056 502132712 /nfs/dbraw/zinc/13/27/12/502132712.db2.gz ZKAGFVVLYAHXRX-OBGWFSINSA-N 2 1 360.502 3.005 20 5 FGBDMP O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)o2)c1 ZINC000592982510 506322225 /nfs/dbraw/zinc/32/22/25/506322225.db2.gz JZNJHOJRGLLYGV-AEFFLSMTSA-N 2 1 370.453 3.256 20 5 FGBDMP Cc1ccc([C@@H](C)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000484160448 502589732 /nfs/dbraw/zinc/58/97/32/502589732.db2.gz HUQKOSQFYGWILI-UTKZUKDTSA-N 2 1 369.465 3.191 20 5 FGBDMP Cc1ccc(C[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000521333498 504712386 /nfs/dbraw/zinc/71/23/86/504712386.db2.gz KBQOUNZATMQDMI-GOSISDBHSA-N 2 1 374.510 3.043 20 5 FGBDMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000556686571 504940553 /nfs/dbraw/zinc/94/05/53/504940553.db2.gz VTDLYLIRHUWNQN-UHFFFAOYSA-N 2 1 363.458 3.014 20 5 FGBDMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000566718439 505252603 /nfs/dbraw/zinc/25/26/03/505252603.db2.gz ISTQFLHEYNARSF-IKGGRYGDSA-N 2 1 363.506 3.375 20 5 FGBDMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000566718439 505252606 /nfs/dbraw/zinc/25/26/06/505252606.db2.gz ISTQFLHEYNARSF-IKGGRYGDSA-N 2 1 363.506 3.375 20 5 FGBDMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000593729427 506750398 /nfs/dbraw/zinc/75/03/98/506750398.db2.gz DSWPBRWRIUFROZ-HLLBOEOZSA-N 2 1 353.850 3.109 20 5 FGBDMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000593729427 506750403 /nfs/dbraw/zinc/75/04/03/506750403.db2.gz DSWPBRWRIUFROZ-HLLBOEOZSA-N 2 1 353.850 3.109 20 5 FGBDMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000746675807 722614395 /nfs/dbraw/zinc/61/43/95/722614395.db2.gz OZJFPXJEWZNQGN-MRXNPFEDSA-N 2 1 355.866 3.181 20 5 FGBDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000746675807 722614396 /nfs/dbraw/zinc/61/43/96/722614396.db2.gz OZJFPXJEWZNQGN-MRXNPFEDSA-N 2 1 355.866 3.181 20 5 FGBDMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000844910025 730788395 /nfs/dbraw/zinc/78/83/95/730788395.db2.gz GCBIAPSIIHMRFJ-XYPHTWIQSA-N 2 1 353.850 3.109 20 5 FGBDMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000844910025 730788397 /nfs/dbraw/zinc/78/83/97/730788397.db2.gz GCBIAPSIIHMRFJ-XYPHTWIQSA-N 2 1 353.850 3.109 20 5 FGBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000072719019 494239851 /nfs/dbraw/zinc/23/98/51/494239851.db2.gz VVXAFRMWPYEQAZ-KRWDZBQOSA-N 2 1 374.485 3.040 20 5 FGBDMP C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C[C@H]1CCC[NH+](C)C1 ZINC000152336448 496120679 /nfs/dbraw/zinc/12/06/79/496120679.db2.gz ALENCDRBJRFRSM-HNNXBMFYSA-N 2 1 358.442 3.066 20 5 FGBDMP C[NH+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C[C@H]1CCC[N@H+](C)C1 ZINC000152336448 496120683 /nfs/dbraw/zinc/12/06/83/496120683.db2.gz ALENCDRBJRFRSM-HNNXBMFYSA-N 2 1 358.442 3.066 20 5 FGBDMP C[NH+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C[C@H]1CCC[N@@H+](C)C1 ZINC000152336448 496120687 /nfs/dbraw/zinc/12/06/87/496120687.db2.gz ALENCDRBJRFRSM-HNNXBMFYSA-N 2 1 358.442 3.066 20 5 FGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000332403962 498678534 /nfs/dbraw/zinc/67/85/34/498678534.db2.gz WEWISXFNZGXJIL-IRXDYDNUSA-N 2 1 360.502 3.065 20 5 FGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000332403962 498678540 /nfs/dbraw/zinc/67/85/40/498678540.db2.gz WEWISXFNZGXJIL-IRXDYDNUSA-N 2 1 360.502 3.065 20 5 FGBDMP COc1cc(CNC[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c([N+](=O)[O-])cc1O ZINC000371723815 499359033 /nfs/dbraw/zinc/35/90/33/499359033.db2.gz NWAJNASUXRJJFU-YWZLYKJASA-N 2 1 371.437 3.092 20 5 FGBDMP COc1cc(CNC[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c([N+](=O)[O-])cc1O ZINC000371723814 499359067 /nfs/dbraw/zinc/35/90/67/499359067.db2.gz NWAJNASUXRJJFU-QRWLVFNGSA-N 2 1 371.437 3.092 20 5 FGBDMP COc1cc(C[NH2+][C@H](C)[C@@H](C)[NH3+])ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000415014670 499855179 /nfs/dbraw/zinc/85/51/79/499855179.db2.gz MCLAMRZLTXZJHZ-ZIAGYGMSSA-N 2 1 359.426 3.008 20 5 FGBDMP COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000430208838 500209196 /nfs/dbraw/zinc/20/91/96/500209196.db2.gz PRKGMUGXQGEWHF-UHFFFAOYSA-N 2 1 370.453 3.347 20 5 FGBDMP CC[NH+]1CCC(N2CCC[N@H+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)CC1 ZINC000420979202 500546468 /nfs/dbraw/zinc/54/64/68/500546468.db2.gz KAXOEMJANXVRCI-GOSISDBHSA-N 2 1 374.529 3.456 20 5 FGBDMP C[N@@H+](CCC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000447515252 500615162 /nfs/dbraw/zinc/61/51/62/500615162.db2.gz BLGDDEUHIDDHAZ-OALUTQOASA-N 2 1 371.485 3.387 20 5 FGBDMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000472266949 502291234 /nfs/dbraw/zinc/29/12/34/502291234.db2.gz YPWPOSANYJHUMN-MRXNPFEDSA-N 2 1 355.866 3.181 20 5 FGBDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000472266949 502291237 /nfs/dbraw/zinc/29/12/37/502291237.db2.gz YPWPOSANYJHUMN-MRXNPFEDSA-N 2 1 355.866 3.181 20 5 FGBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000602948656 506363326 /nfs/dbraw/zinc/36/33/26/506363326.db2.gz DBLJITYFNRORKU-UHFFFAOYSA-N 2 1 374.485 3.182 20 5 FGBDMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000542702756 504581310 /nfs/dbraw/zinc/58/13/10/504581310.db2.gz SLVSURPSHYOTAW-UHFFFAOYSA-N 2 1 363.502 3.474 20 5 FGBDMP O=[N+]([O-])c1ccc(CCCC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000594497494 507155904 /nfs/dbraw/zinc/15/59/04/507155904.db2.gz CDZWEOHZMQFCGZ-FQEVSTJZSA-N 2 1 361.486 3.151 20 5 FGBDMP Cc1c([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cccc1[N+](=O)[O-] ZINC000595066157 507374337 /nfs/dbraw/zinc/37/43/37/507374337.db2.gz DAZFJOYZAHPYOG-APWZRJJASA-N 2 1 369.465 3.321 20 5 FGBDMP Cc1noc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c1[N+](=O)[O-] ZINC000595409054 507485094 /nfs/dbraw/zinc/48/50/94/507485094.db2.gz JLZLDYFEDTXGEW-UHFFFAOYSA-N 2 1 370.453 3.379 20 5 FGBDMP Cc1noc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c1[N+](=O)[O-] ZINC000595409054 507485097 /nfs/dbraw/zinc/48/50/97/507485097.db2.gz JLZLDYFEDTXGEW-UHFFFAOYSA-N 2 1 370.453 3.379 20 5 FGBDMP O=[N+]([O-])c1cc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)ccc1Cl ZINC000154111784 705022514 /nfs/dbraw/zinc/02/25/14/705022514.db2.gz BTOPHAKANQSCGL-UHFFFAOYSA-N 2 1 367.877 3.325 20 5 FGBDMP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1[N+](=O)[O-] ZINC000090522931 494478660 /nfs/dbraw/zinc/47/86/60/494478660.db2.gz WSRNUBAPNZJMSH-BPAFIMBUSA-N 2 1 361.486 3.322 20 5 FGBDMP CC[C@@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000181418453 496387408 /nfs/dbraw/zinc/38/74/08/496387408.db2.gz FQUOTRKVIVCPMB-AABGKKOBSA-N 2 1 361.486 3.403 20 5 FGBDMP CCCn1ccnc1CCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000191493847 496782208 /nfs/dbraw/zinc/78/22/08/496782208.db2.gz QKNLYHOKIZDIPK-OAHLLOKOSA-N 2 1 373.457 3.093 20 5 FGBDMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000191493847 496782218 /nfs/dbraw/zinc/78/22/18/496782218.db2.gz QKNLYHOKIZDIPK-OAHLLOKOSA-N 2 1 373.457 3.093 20 5 FGBDMP COc1ccc(-c2ccc(C[N@@H+]3CC[C@]4(C3)CCC[NH2+]C4)o2)c([N+](=O)[O-])c1 ZINC000572404797 505960432 /nfs/dbraw/zinc/96/04/32/505960432.db2.gz XHTQLFNERWFDII-HXUWFJFHSA-N 2 1 371.437 3.439 20 5 FGBDMP COc1ccc(-c2ccc(C[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)o2)c([N+](=O)[O-])c1 ZINC000572404797 505960436 /nfs/dbraw/zinc/96/04/36/505960436.db2.gz XHTQLFNERWFDII-HXUWFJFHSA-N 2 1 371.437 3.439 20 5 FGBDMP CCOc1cc(C[N@@H+](C)C2CCN(c3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC000365189131 498342147 /nfs/dbraw/zinc/34/21/47/498342147.db2.gz JUEMJDKXICEXIU-UHFFFAOYSA-N 2 1 370.453 3.489 20 5 FGBDMP Cc1cc(N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302138752 498414525 /nfs/dbraw/zinc/41/45/25/498414525.db2.gz DXJQSBRFPDWMHK-HNNXBMFYSA-N 2 1 370.453 3.141 20 5 FGBDMP C[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000290152633 498445119 /nfs/dbraw/zinc/44/51/19/498445119.db2.gz CROJXHMYYDLCSO-HNNXBMFYSA-N 2 1 358.442 3.171 20 5 FGBDMP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000372045506 499392606 /nfs/dbraw/zinc/39/26/06/499392606.db2.gz DGFWTSWHXDASDF-QSOKESPWSA-N 2 1 361.486 3.443 20 5 FGBDMP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000372045506 499392607 /nfs/dbraw/zinc/39/26/07/499392607.db2.gz DGFWTSWHXDASDF-QSOKESPWSA-N 2 1 361.486 3.443 20 5 FGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378506773 499525250 /nfs/dbraw/zinc/52/52/50/499525250.db2.gz JFBJPRGXZLHECG-LPHOPBHVSA-N 2 1 360.502 3.065 20 5 FGBDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000398005744 499565462 /nfs/dbraw/zinc/56/54/62/499565462.db2.gz YUWXETSWLPGYAH-UTKZUKDTSA-N 2 1 369.465 3.474 20 5 FGBDMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417328313 500041138 /nfs/dbraw/zinc/04/11/38/500041138.db2.gz SHGSRUKVRLAUDE-OAQYLSRUSA-N 2 1 374.529 3.370 20 5 FGBDMP [NH3+]C[C@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1CCCCC1 ZINC000420359119 500447298 /nfs/dbraw/zinc/44/72/98/500447298.db2.gz FZASNTKPARGMQS-KRWDZBQOSA-N 2 1 358.442 3.290 20 5 FGBDMP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596096026 506255014 /nfs/dbraw/zinc/25/50/14/506255014.db2.gz UEUMGBOAEMGVQJ-NVXWUHKLSA-N 2 1 374.485 3.024 20 5 FGBDMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000481187283 502777726 /nfs/dbraw/zinc/77/77/26/502777726.db2.gz IUFIXSCCTOHWRF-UTKZUKDTSA-N 2 1 369.465 3.474 20 5 FGBDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000481187283 502777729 /nfs/dbraw/zinc/77/77/29/502777729.db2.gz IUFIXSCCTOHWRF-UTKZUKDTSA-N 2 1 369.465 3.474 20 5 FGBDMP C[NH+]1CCC2(CC[N@@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)CC1 ZINC000602876092 506333761 /nfs/dbraw/zinc/33/37/61/506333761.db2.gz DMBJNFSMVLWBMT-UHFFFAOYSA-N 2 1 356.426 3.168 20 5 FGBDMP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602878093 506334295 /nfs/dbraw/zinc/33/42/95/506334295.db2.gz ULKJPXCTOQIBFL-CQSZACIVSA-N 2 1 371.441 3.124 20 5 FGBDMP O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC(OCC[NH+]4CCCC4)CC3)c2c1 ZINC000601124714 507269834 /nfs/dbraw/zinc/26/98/34/507269834.db2.gz ICLPWJUUPKZLTK-UHFFFAOYSA-N 2 1 370.453 3.224 20 5 FGBDMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000595065313 507375092 /nfs/dbraw/zinc/37/50/92/507375092.db2.gz AACYOYWIKRVWKM-MGPUTAFESA-N 2 1 355.438 3.012 20 5 FGBDMP C[NH+]1CCC2(CC1)C[N@H+](Cc1ccc(-c3ccccc3[N+](=O)[O-])o1)CCO2 ZINC000592527267 507696487 /nfs/dbraw/zinc/69/64/87/507696487.db2.gz NGZYVJUPJUVXHL-UHFFFAOYSA-N 2 1 371.437 3.151 20 5 FGBDMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc(-c3ccccc3[N+](=O)[O-])o1)CCO2 ZINC000592527267 507696488 /nfs/dbraw/zinc/69/64/88/507696488.db2.gz NGZYVJUPJUVXHL-UHFFFAOYSA-N 2 1 371.437 3.151 20 5 FGBDMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000846226762 730937996 /nfs/dbraw/zinc/93/79/96/730937996.db2.gz BODXDOAZJSNPGG-DJIMGWMZSA-N 2 1 353.850 3.109 20 5 FGBDMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000846226762 730937997 /nfs/dbraw/zinc/93/79/97/730937997.db2.gz BODXDOAZJSNPGG-DJIMGWMZSA-N 2 1 353.850 3.109 20 5 FGBDMP CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000872036289 735580010 /nfs/dbraw/zinc/58/00/10/735580010.db2.gz RARGGHFSQVTDRH-GOEBONIOSA-N 2 1 367.515 3.204 20 5 FGBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072718499 494239284 /nfs/dbraw/zinc/23/92/84/494239284.db2.gz KANADYDXFYUGIP-QGZVFWFLSA-N 2 1 374.485 3.040 20 5 FGBDMP C[C@@H]1C[N@H+](CC2CC[NH+](C/C=C/c3ccccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000092587085 494678437 /nfs/dbraw/zinc/67/84/37/494678437.db2.gz CJUDJNVAPUVXDK-OBJZWFGXSA-N 2 1 373.497 3.429 20 5 FGBDMP C[N@@H+](CCCO)C1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000126322887 494709348 /nfs/dbraw/zinc/70/93/48/494709348.db2.gz WWCCURQMNGWUJC-UHFFFAOYSA-N 2 1 373.453 3.133 20 5 FGBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC([NH2+]C2CCCC2)CC1 ZINC000110034197 494941008 /nfs/dbraw/zinc/94/10/08/494941008.db2.gz OMKSJSOWNQPMHT-UHFFFAOYSA-N 2 1 374.485 3.228 20 5 FGBDMP O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)o2)c1 ZINC000150750094 495621790 /nfs/dbraw/zinc/62/17/90/495621790.db2.gz YVRDZADCMDMPSE-INIZCTEOSA-N 2 1 370.453 3.210 20 5 FGBDMP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000366299040 498865271 /nfs/dbraw/zinc/86/52/71/498865271.db2.gz LVGWMMVTPQNSCM-PBWTXFEYSA-N 2 1 361.486 3.443 20 5 FGBDMP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000366299040 498865280 /nfs/dbraw/zinc/86/52/80/498865280.db2.gz LVGWMMVTPQNSCM-PBWTXFEYSA-N 2 1 361.486 3.443 20 5 FGBDMP COc1cc(C[NH2+]C[C@@H]([NH3+])C2CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414887854 499841928 /nfs/dbraw/zinc/84/19/28/499841928.db2.gz JDLKFTXWXDBLDG-GOSISDBHSA-N 2 1 371.437 3.009 20 5 FGBDMP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417309849 500036632 /nfs/dbraw/zinc/03/66/32/500036632.db2.gz JDBJFUHOTOKODO-OAQYLSRUSA-N 2 1 374.529 3.226 20 5 FGBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000468749357 502170007 /nfs/dbraw/zinc/17/00/07/502170007.db2.gz LEMVTTLSCGAUOZ-GHRIWEEISA-N 2 1 361.486 3.477 20 5 FGBDMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000566718441 505252701 /nfs/dbraw/zinc/25/27/01/505252701.db2.gz ISTQFLHEYNARSF-IXDOHACOSA-N 2 1 363.506 3.375 20 5 FGBDMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000566718441 505252703 /nfs/dbraw/zinc/25/27/03/505252703.db2.gz ISTQFLHEYNARSF-IXDOHACOSA-N 2 1 363.506 3.375 20 5 FGBDMP CC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(C[NH+](C)C)cc1 ZINC000609029840 506765283 /nfs/dbraw/zinc/76/52/83/506765283.db2.gz OZFBHORDOKWQCM-UHFFFAOYSA-N 2 1 370.453 3.117 20 5 FGBDMP CC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(C[NH+](C)C)cc1 ZINC000609029840 506765284 /nfs/dbraw/zinc/76/52/84/506765284.db2.gz OZFBHORDOKWQCM-UHFFFAOYSA-N 2 1 370.453 3.117 20 5 FGBDMP COc1ccc(OCC[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000610368649 507217541 /nfs/dbraw/zinc/21/75/41/507217541.db2.gz PXEDDJUTMIJLIP-UHFFFAOYSA-N 2 1 365.474 3.034 20 5 FGBDMP O=[N+]([O-])c1ccc(OC(F)F)c(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000594736061 507261501 /nfs/dbraw/zinc/26/15/01/507261501.db2.gz OMWRSRJONCSNBJ-CQSZACIVSA-N 2 1 369.412 3.408 20 5 FGBDMP O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000594736832 507261790 /nfs/dbraw/zinc/26/17/90/507261790.db2.gz WOKVWELAMXLBDO-CQSZACIVSA-N 2 1 369.412 3.408 20 5 FGBDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602512306 507732669 /nfs/dbraw/zinc/73/26/69/507732669.db2.gz XJQMWWPMBULERO-VIFPVBQESA-N 2 1 373.276 3.350 20 5 FGBDMP O=[N+]([O-])c1cccc(Br)c1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000843046393 730574033 /nfs/dbraw/zinc/57/40/33/730574033.db2.gz UADUWSYZUHHBLD-OAHLLOKOSA-N 2 1 368.275 3.321 20 5 FGBDMP CC[NH+](CC)CC1CC[NH+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000057847586 493808430 /nfs/dbraw/zinc/80/84/30/493808430.db2.gz CJZSVAVAYUNLFI-UHFFFAOYSA-N 2 1 373.457 3.199 20 5 FGBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185684652 495677993 /nfs/dbraw/zinc/67/79/93/495677993.db2.gz KYCDJBWKGMETKB-HZPDHXFCSA-N 2 1 374.485 3.084 20 5 FGBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185684652 495677996 /nfs/dbraw/zinc/67/79/96/495677996.db2.gz KYCDJBWKGMETKB-HZPDHXFCSA-N 2 1 374.485 3.084 20 5 FGBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185684630 495678262 /nfs/dbraw/zinc/67/82/62/495678262.db2.gz KYCDJBWKGMETKB-JKSUJKDBSA-N 2 1 374.485 3.084 20 5 FGBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185684630 495678266 /nfs/dbraw/zinc/67/82/66/495678266.db2.gz KYCDJBWKGMETKB-JKSUJKDBSA-N 2 1 374.485 3.084 20 5 FGBDMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000178639952 496526553 /nfs/dbraw/zinc/52/65/53/496526553.db2.gz HMPNRHJLMHIFRC-INIZCTEOSA-N 2 1 355.438 3.278 20 5 FGBDMP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000246324880 497696302 /nfs/dbraw/zinc/69/63/02/497696302.db2.gz FQUOTRKVIVCPMB-XUVXKRRUSA-N 2 1 361.486 3.403 20 5 FGBDMP Cc1cc(N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302138753 498414765 /nfs/dbraw/zinc/41/47/65/498414765.db2.gz DXJQSBRFPDWMHK-OAHLLOKOSA-N 2 1 370.453 3.141 20 5 FGBDMP COc1ccc(C[NH2+][C@@H](C[NH3+])C2CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414807114 499833178 /nfs/dbraw/zinc/83/31/78/499833178.db2.gz QUCBVXALCQPOSG-SFHVURJKSA-N 2 1 371.437 3.009 20 5 FGBDMP O=[N+]([O-])c1ccccc1OCC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434748245 500889210 /nfs/dbraw/zinc/88/92/10/500889210.db2.gz ONTMSXJJWJPPJO-UHFFFAOYSA-N 2 1 370.453 3.386 20 5 FGBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000449063720 500915150 /nfs/dbraw/zinc/91/51/50/500915150.db2.gz QZAXRBFRCJHNJP-KRWDZBQOSA-N 2 1 369.465 3.148 20 5 FGBDMP C[N@@H+](CCOc1ccccc1[N+](=O)[O-])CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501029568 502916233 /nfs/dbraw/zinc/91/62/33/502916233.db2.gz RZMWGOBIEMYTRS-UHFFFAOYSA-N 2 1 370.453 3.217 20 5 FGBDMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000533310236 503802009 /nfs/dbraw/zinc/80/20/09/503802009.db2.gz FHPQHYSFBFAUAI-CVEARBPZSA-N 2 1 362.474 3.036 20 5 FGBDMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000533310236 503802013 /nfs/dbraw/zinc/80/20/13/503802013.db2.gz FHPQHYSFBFAUAI-CVEARBPZSA-N 2 1 362.474 3.036 20 5 FGBDMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000533310236 503802018 /nfs/dbraw/zinc/80/20/18/503802018.db2.gz FHPQHYSFBFAUAI-CVEARBPZSA-N 2 1 362.474 3.036 20 5 FGBDMP C[NH2+]CCOCC[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000600775396 507114635 /nfs/dbraw/zinc/11/46/35/507114635.db2.gz NOQZUKTWYXOMKZ-UHFFFAOYSA-N 2 1 367.833 3.176 20 5 FGBDMP C[NH+](C)CCCOc1cnccc1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000584539673 507401475 /nfs/dbraw/zinc/40/14/75/507401475.db2.gz AGGSRLGTCGOGKN-GOSISDBHSA-N 2 1 370.453 3.097 20 5 FGBDMP O=[N+]([O-])c1cc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)ccc1Br ZINC000843127264 730589356 /nfs/dbraw/zinc/58/93/56/730589356.db2.gz PGPFRBCFCPTORP-AWEZNQCLSA-N 2 1 368.275 3.179 20 5 FGBDMP Cn1cc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093659892 494908934 /nfs/dbraw/zinc/90/89/34/494908934.db2.gz YQMZOUSJRACIDH-SFHVURJKSA-N 2 1 371.485 3.302 20 5 FGBDMP Cn1cc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093659892 494908935 /nfs/dbraw/zinc/90/89/35/494908935.db2.gz YQMZOUSJRACIDH-SFHVURJKSA-N 2 1 371.485 3.302 20 5 FGBDMP Cn1cc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093659892 494908936 /nfs/dbraw/zinc/90/89/36/494908936.db2.gz YQMZOUSJRACIDH-SFHVURJKSA-N 2 1 371.485 3.302 20 5 FGBDMP Cn1cc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093659892 494908937 /nfs/dbraw/zinc/90/89/37/494908937.db2.gz YQMZOUSJRACIDH-SFHVURJKSA-N 2 1 371.485 3.302 20 5 FGBDMP C[C@H]1C[C@@H]([NH+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC[N@@H+]1C ZINC000123922771 495207926 /nfs/dbraw/zinc/20/79/26/495207926.db2.gz SALLDUSPIHDWCV-HOCLYGCPSA-N 2 1 358.442 3.207 20 5 FGBDMP C[C@H]1C[C@@H]([NH+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC[N@H+]1C ZINC000123922771 495207927 /nfs/dbraw/zinc/20/79/27/495207927.db2.gz SALLDUSPIHDWCV-HOCLYGCPSA-N 2 1 358.442 3.207 20 5 FGBDMP C[C@H]1C[C@@H]([N@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC[NH+]1C ZINC000123922771 495207928 /nfs/dbraw/zinc/20/79/28/495207928.db2.gz SALLDUSPIHDWCV-HOCLYGCPSA-N 2 1 358.442 3.207 20 5 FGBDMP C[C@H]1C[C@@H]([N@@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC[NH+]1C ZINC000123922771 495207929 /nfs/dbraw/zinc/20/79/29/495207929.db2.gz SALLDUSPIHDWCV-HOCLYGCPSA-N 2 1 358.442 3.207 20 5 FGBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000173635588 495626053 /nfs/dbraw/zinc/62/60/53/495626053.db2.gz RKLIDUZMPCEJNZ-MRXNPFEDSA-N 2 1 362.474 3.038 20 5 FGBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000173635588 495626055 /nfs/dbraw/zinc/62/60/55/495626055.db2.gz RKLIDUZMPCEJNZ-MRXNPFEDSA-N 2 1 362.474 3.038 20 5 FGBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000173635588 495626057 /nfs/dbraw/zinc/62/60/57/495626057.db2.gz RKLIDUZMPCEJNZ-MRXNPFEDSA-N 2 1 362.474 3.038 20 5 FGBDMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185697868 495685232 /nfs/dbraw/zinc/68/52/32/495685232.db2.gz HOCOXZWZMXHDIC-PMPSAXMXSA-N 2 1 374.485 3.164 20 5 FGBDMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185697868 495685240 /nfs/dbraw/zinc/68/52/40/495685240.db2.gz HOCOXZWZMXHDIC-PMPSAXMXSA-N 2 1 374.485 3.164 20 5 FGBDMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000185740798 495705530 /nfs/dbraw/zinc/70/55/30/495705530.db2.gz TXBLLGTWSGDMQF-JYJNAYRXSA-N 2 1 374.485 3.164 20 5 FGBDMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000185740798 495705533 /nfs/dbraw/zinc/70/55/33/495705533.db2.gz TXBLLGTWSGDMQF-JYJNAYRXSA-N 2 1 374.485 3.164 20 5 FGBDMP Cn1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000174598730 496028054 /nfs/dbraw/zinc/02/80/54/496028054.db2.gz KBSPXHVDICQQEO-JLYLLQBASA-N 2 1 369.469 3.100 20 5 FGBDMP COc1ccc(-c2ccc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)o2)c([N+](=O)[O-])c1 ZINC000574917094 505882610 /nfs/dbraw/zinc/88/26/10/505882610.db2.gz RJULFRLOOMGIKV-DOPJRALCSA-N 2 1 371.437 3.423 20 5 FGBDMP C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000312558336 498761867 /nfs/dbraw/zinc/76/18/67/498761867.db2.gz SMDNXBVQQXWOLQ-IEBWSBKVSA-N 2 1 369.465 3.474 20 5 FGBDMP Cc1cc(N2CCC[N@H+](C3CCOCC3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000367780667 499233093 /nfs/dbraw/zinc/23/30/93/499233093.db2.gz DRIGLVRBWDLBQR-UHFFFAOYSA-N 2 1 370.453 3.143 20 5 FGBDMP COc1cc(C[NH2+][C@H](C)CC[NH3+])c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000414899747 499842911 /nfs/dbraw/zinc/84/29/11/499842911.db2.gz VENGXJNQDRCKJJ-CQSZACIVSA-N 2 1 359.426 3.009 20 5 FGBDMP C[C@@H]1C[C@@H](C)[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1C[NH3+] ZINC000422625800 500283062 /nfs/dbraw/zinc/28/30/62/500283062.db2.gz CMPAEZBEASXOHI-FMKPAKJESA-N 2 1 358.442 3.098 20 5 FGBDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000470178790 502697220 /nfs/dbraw/zinc/69/72/20/502697220.db2.gz NZOTXYWCBKROGW-NXNYUAIASA-N 2 1 361.486 3.431 20 5 FGBDMP C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602878092 506334023 /nfs/dbraw/zinc/33/40/23/506334023.db2.gz ULKJPXCTOQIBFL-AWEZNQCLSA-N 2 1 371.441 3.124 20 5 FGBDMP CC[C@H]1C[N@@H+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)CC[C@@H]1[NH3+] ZINC000592427740 507653433 /nfs/dbraw/zinc/65/34/33/507653433.db2.gz WYKUJWCHYNPNQU-GUYCJALGSA-N 2 1 359.426 3.423 20 5 FGBDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809737127 725264003 /nfs/dbraw/zinc/26/40/03/725264003.db2.gz DTKTZVWFJJELOK-MRXNPFEDSA-N 2 1 368.909 3.096 20 5 FGBDMP COc1ccc(-c2ccc(C[NH2+]C[C@@H]3CCC[N@H+](C)C3)o2)c([N+](=O)[O-])c1 ZINC000108428203 494705151 /nfs/dbraw/zinc/70/51/51/494705151.db2.gz DZQHWQKKRSLYSX-AWEZNQCLSA-N 2 1 359.426 3.295 20 5 FGBDMP COc1ccc(-c2ccc(C[NH2+]C[C@@H]3CCC[N@@H+](C)C3)o2)c([N+](=O)[O-])c1 ZINC000108428203 494705156 /nfs/dbraw/zinc/70/51/56/494705156.db2.gz DZQHWQKKRSLYSX-AWEZNQCLSA-N 2 1 359.426 3.295 20 5 FGBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000182891385 495744731 /nfs/dbraw/zinc/74/47/31/495744731.db2.gz BSOWBSHKLIGASN-MJGOQNOKSA-N 2 1 360.502 3.066 20 5 FGBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000182891385 495744738 /nfs/dbraw/zinc/74/47/38/495744738.db2.gz BSOWBSHKLIGASN-MJGOQNOKSA-N 2 1 360.502 3.066 20 5 FGBDMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000248442785 497012430 /nfs/dbraw/zinc/01/24/30/497012430.db2.gz LCHJZWWXZHTJJH-FOIQADDNSA-N 2 1 355.438 3.012 20 5 FGBDMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](C)C1 ZINC000245418181 497395783 /nfs/dbraw/zinc/39/57/83/497395783.db2.gz GLFGDYVXHOLSAW-MAUKXSAKSA-N 2 1 372.469 3.454 20 5 FGBDMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](C)C1 ZINC000245418181 497395788 /nfs/dbraw/zinc/39/57/88/497395788.db2.gz GLFGDYVXHOLSAW-MAUKXSAKSA-N 2 1 372.469 3.454 20 5 FGBDMP CC[NH+]1CC[C@@H]([N@@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](C)C1 ZINC000245418181 497395791 /nfs/dbraw/zinc/39/57/91/497395791.db2.gz GLFGDYVXHOLSAW-MAUKXSAKSA-N 2 1 372.469 3.454 20 5 FGBDMP C[C@@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000290152640 498445347 /nfs/dbraw/zinc/44/53/47/498445347.db2.gz CROJXHMYYDLCSO-OAHLLOKOSA-N 2 1 358.442 3.171 20 5 FGBDMP CC(C)c1ccc(C[N@@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000368592288 499311794 /nfs/dbraw/zinc/31/17/94/499311794.db2.gz KRRCSZDOWMXRDX-LJQANCHMSA-N 2 1 374.529 3.178 20 5 FGBDMP CC(C)c1ccc(C[N@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000368592288 499311796 /nfs/dbraw/zinc/31/17/96/499311796.db2.gz KRRCSZDOWMXRDX-LJQANCHMSA-N 2 1 374.529 3.178 20 5 FGBDMP CN(Cc1ccc(Br)cc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000425453967 500110071 /nfs/dbraw/zinc/11/00/71/500110071.db2.gz CUGDSKWJBQMSER-YIONKMFJSA-N 2 1 368.275 3.414 20 5 FGBDMP O=[N+]([O-])c1cccc(OCC[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000434684930 500879490 /nfs/dbraw/zinc/87/94/90/500879490.db2.gz LWMDFTARMXEFRD-UHFFFAOYSA-N 2 1 370.453 3.386 20 5 FGBDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000449139861 500933335 /nfs/dbraw/zinc/93/33/35/500933335.db2.gz LZBMRKAVFHWFCN-SCTDSRPQSA-N 2 1 363.502 3.252 20 5 FGBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000479783600 502377468 /nfs/dbraw/zinc/37/74/68/502377468.db2.gz XUQVLMSTRXDOFU-UHFFFAOYSA-N 2 1 370.453 3.083 20 5 FGBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000470169037 502690959 /nfs/dbraw/zinc/69/09/59/502690959.db2.gz AYERPVOZZZENBX-KECAJFJYSA-N 2 1 359.470 3.182 20 5 FGBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000470169037 502690964 /nfs/dbraw/zinc/69/09/64/502690964.db2.gz AYERPVOZZZENBX-KECAJFJYSA-N 2 1 359.470 3.182 20 5 FGBDMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000533310237 503804230 /nfs/dbraw/zinc/80/42/30/503804230.db2.gz FHPQHYSFBFAUAI-HOTGVXAUSA-N 2 1 362.474 3.036 20 5 FGBDMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000533310237 503804236 /nfs/dbraw/zinc/80/42/36/503804236.db2.gz FHPQHYSFBFAUAI-HOTGVXAUSA-N 2 1 362.474 3.036 20 5 FGBDMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000533310237 503804240 /nfs/dbraw/zinc/80/42/40/503804240.db2.gz FHPQHYSFBFAUAI-HOTGVXAUSA-N 2 1 362.474 3.036 20 5 FGBDMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000545159135 504379242 /nfs/dbraw/zinc/37/92/42/504379242.db2.gz UZOITLWRWLYFBJ-UGSOOPFHSA-N 2 1 361.467 3.041 20 5 FGBDMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000545159135 504379245 /nfs/dbraw/zinc/37/92/45/504379245.db2.gz UZOITLWRWLYFBJ-UGSOOPFHSA-N 2 1 361.467 3.041 20 5 FGBDMP COc1cc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c([N+](=O)[O-])cc1F ZINC000545918463 504638153 /nfs/dbraw/zinc/63/81/53/504638153.db2.gz VSNUOUNQBKOFKP-UHFFFAOYSA-N 2 1 353.438 3.295 20 5 FGBDMP COc1cc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c([N+](=O)[O-])cc1F ZINC000545918463 504638158 /nfs/dbraw/zinc/63/81/58/504638158.db2.gz VSNUOUNQBKOFKP-UHFFFAOYSA-N 2 1 353.438 3.295 20 5 FGBDMP CC[N@H+](CCC1CC[NH+](Cc2onc(C)c2[N+](=O)[O-])CC1)CC(C)C ZINC000595420356 507489404 /nfs/dbraw/zinc/48/94/04/507489404.db2.gz HMJDPKRVACZJAN-UHFFFAOYSA-N 2 1 352.479 3.471 20 5 FGBDMP CC[N@@H+](CCC1CC[NH+](Cc2onc(C)c2[N+](=O)[O-])CC1)CC(C)C ZINC000595420356 507489411 /nfs/dbraw/zinc/48/94/11/507489411.db2.gz HMJDPKRVACZJAN-UHFFFAOYSA-N 2 1 352.479 3.471 20 5 FGBDMP O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000592433612 507656290 /nfs/dbraw/zinc/65/62/90/507656290.db2.gz LSXFATLNDJOYHT-ZIAGYGMSSA-N 2 1 369.412 3.408 20 5 FGBDMP O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000592433602 507656346 /nfs/dbraw/zinc/65/63/46/507656346.db2.gz LSXFATLNDJOYHT-KBPBESRZSA-N 2 1 369.412 3.408 20 5 FGBDMP O=[N+]([O-])c1ccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1Cl ZINC000761507804 723160863 /nfs/dbraw/zinc/16/08/63/723160863.db2.gz XTMGQZPHCMNHJV-UHFFFAOYSA-N 2 1 367.877 3.183 20 5 FGBDMP Cc1c([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cccc1[N+](=O)[O-] ZINC000090523296 494478622 /nfs/dbraw/zinc/47/86/22/494478622.db2.gz AGQITXCICOKZQE-YSSFQJQWSA-N 2 1 361.486 3.322 20 5 FGBDMP CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000154385741 495600299 /nfs/dbraw/zinc/60/02/99/495600299.db2.gz QTILUIZYMKOEBG-RXVVDRJESA-N 2 1 369.465 3.082 20 5 FGBDMP C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000154385741 495600302 /nfs/dbraw/zinc/60/03/02/495600302.db2.gz QTILUIZYMKOEBG-RXVVDRJESA-N 2 1 369.465 3.082 20 5 FGBDMP C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000154385741 495600306 /nfs/dbraw/zinc/60/03/06/495600306.db2.gz QTILUIZYMKOEBG-RXVVDRJESA-N 2 1 369.465 3.082 20 5 FGBDMP C[NH+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000154385741 495600310 /nfs/dbraw/zinc/60/03/10/495600310.db2.gz QTILUIZYMKOEBG-RXVVDRJESA-N 2 1 369.465 3.082 20 5 FGBDMP C[NH+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000154385741 495600314 /nfs/dbraw/zinc/60/03/14/495600314.db2.gz QTILUIZYMKOEBG-RXVVDRJESA-N 2 1 369.465 3.082 20 5 FGBDMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000185685091 495678317 /nfs/dbraw/zinc/67/83/17/495678317.db2.gz CROKWUZOBIFRJB-JYJNAYRXSA-N 2 1 374.485 3.164 20 5 FGBDMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000185685091 495678324 /nfs/dbraw/zinc/67/83/24/495678324.db2.gz CROKWUZOBIFRJB-JYJNAYRXSA-N 2 1 374.485 3.164 20 5 FGBDMP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000181418398 496387028 /nfs/dbraw/zinc/38/70/28/496387028.db2.gz FQUOTRKVIVCPMB-ZCNNSNEGSA-N 2 1 361.486 3.403 20 5 FGBDMP CC[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000181418419 496387541 /nfs/dbraw/zinc/38/75/41/496387541.db2.gz FQUOTRKVIVCPMB-AQNXPRMDSA-N 2 1 361.486 3.403 20 5 FGBDMP CC1(C)C[C@@H]([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000279144405 497347847 /nfs/dbraw/zinc/34/78/47/497347847.db2.gz SDAWWEMVHZSHKP-FOIQADDNSA-N 2 1 373.497 3.408 20 5 FGBDMP CN1CC[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1c1cccnc1 ZINC000377298630 499677836 /nfs/dbraw/zinc/67/78/36/499677836.db2.gz OJIAZWVCQRIHPU-YJBOKZPZSA-N 2 1 360.845 3.426 20 5 FGBDMP C[C@@H]1C[C@H](N(C)Cc2ccc(Br)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000425428622 500103571 /nfs/dbraw/zinc/10/35/71/500103571.db2.gz XJPQQDHIGNVYLE-BXUZGUMPSA-N 2 1 356.264 3.272 20 5 FGBDMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000493081503 503405071 /nfs/dbraw/zinc/40/50/71/503405071.db2.gz QRIAKLZQHACCAE-AWEZNQCLSA-N 2 1 355.866 3.181 20 5 FGBDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000493081503 503405072 /nfs/dbraw/zinc/40/50/72/503405072.db2.gz QRIAKLZQHACCAE-AWEZNQCLSA-N 2 1 355.866 3.181 20 5 FGBDMP C[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000531932126 504479469 /nfs/dbraw/zinc/47/94/69/504479469.db2.gz RUBIGHONEPFLSQ-MAUKXSAKSA-N 2 1 374.510 3.296 20 5 FGBDMP C[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000531932128 504479648 /nfs/dbraw/zinc/47/96/48/504479648.db2.gz RUBIGHONEPFLSQ-YJBOKZPZSA-N 2 1 374.510 3.296 20 5 FGBDMP CC[N@H+](CCC[NH+]1CCCC1)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000554883569 505289012 /nfs/dbraw/zinc/28/90/12/505289012.db2.gz KJERHMGTHICIAN-UHFFFAOYSA-N 2 1 371.485 3.303 20 5 FGBDMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000554883569 505289015 /nfs/dbraw/zinc/28/90/15/505289015.db2.gz KJERHMGTHICIAN-UHFFFAOYSA-N 2 1 371.485 3.303 20 5 FGBDMP COc1cc(C[N@H+](C)C2CC([NH3+])C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000564970734 505564893 /nfs/dbraw/zinc/56/48/93/505564893.db2.gz MVWABFYFBUTZCJ-UHFFFAOYSA-N 2 1 371.437 3.104 20 5 FGBDMP COc1cc(C[N@@H+](C)C2CC([NH3+])C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000564970734 505564895 /nfs/dbraw/zinc/56/48/95/505564895.db2.gz MVWABFYFBUTZCJ-UHFFFAOYSA-N 2 1 371.437 3.104 20 5 FGBDMP CC(C)[N@H+](C)CC1CC[NH+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000609133426 506786638 /nfs/dbraw/zinc/78/66/38/506786638.db2.gz BQTHSYUTXSXEKB-UHFFFAOYSA-N 2 1 373.457 3.197 20 5 FGBDMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000609133426 506786645 /nfs/dbraw/zinc/78/66/45/506786645.db2.gz BQTHSYUTXSXEKB-UHFFFAOYSA-N 2 1 373.457 3.197 20 5 FGBDMP Cc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1[N+](=O)[O-] ZINC000090522932 494478463 /nfs/dbraw/zinc/47/84/63/494478463.db2.gz WSRNUBAPNZJMSH-QSFXBCCZSA-N 2 1 361.486 3.322 20 5 FGBDMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000130860244 495457459 /nfs/dbraw/zinc/45/74/59/495457459.db2.gz WZPSQGLPLSRBDQ-CYBMUJFWSA-N 2 1 370.413 3.233 20 5 FGBDMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000130860244 495457460 /nfs/dbraw/zinc/45/74/60/495457460.db2.gz WZPSQGLPLSRBDQ-CYBMUJFWSA-N 2 1 370.413 3.233 20 5 FGBDMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000177482549 496079409 /nfs/dbraw/zinc/07/94/09/496079409.db2.gz JYHVONDWYXSJHV-CALCHBBNSA-N 2 1 361.486 3.306 20 5 FGBDMP Cc1c(NC(=O)CC[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000157234195 496434208 /nfs/dbraw/zinc/43/42/08/496434208.db2.gz OQQZKCBGKKSYOG-KRWDZBQOSA-N 2 1 374.485 3.182 20 5 FGBDMP C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000312558335 498761635 /nfs/dbraw/zinc/76/16/35/498761635.db2.gz SMDNXBVQQXWOLQ-HKUYNNGSSA-N 2 1 369.465 3.474 20 5 FGBDMP CCN1CCC([N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C2CC2)CC1 ZINC000367176462 499157710 /nfs/dbraw/zinc/15/77/10/499157710.db2.gz LFRWPJQPFXKYDO-UHFFFAOYSA-N 2 1 374.485 3.181 20 5 FGBDMP CC[NH+]1CCC([N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C2CC2)CC1 ZINC000367176462 499157712 /nfs/dbraw/zinc/15/77/12/499157712.db2.gz LFRWPJQPFXKYDO-UHFFFAOYSA-N 2 1 374.485 3.181 20 5 FGBDMP CC[NH+]1CCC([N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C2CC2)CC1 ZINC000367176462 499157714 /nfs/dbraw/zinc/15/77/14/499157714.db2.gz LFRWPJQPFXKYDO-UHFFFAOYSA-N 2 1 374.485 3.181 20 5 FGBDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000373459036 499471044 /nfs/dbraw/zinc/47/10/44/499471044.db2.gz JTPGVIKUXZFLQX-CZAAIQMYSA-N 2 1 369.465 3.128 20 5 FGBDMP C[C@H]1C[N@@H+](CCCNCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCCO1 ZINC000432362803 500505017 /nfs/dbraw/zinc/50/50/17/500505017.db2.gz PETCAIPXFIFOJE-INIZCTEOSA-N 2 1 373.453 3.445 20 5 FGBDMP C[C@H]1CN(CCC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCCO1 ZINC000432362803 500505019 /nfs/dbraw/zinc/50/50/19/500505019.db2.gz PETCAIPXFIFOJE-INIZCTEOSA-N 2 1 373.453 3.445 20 5 FGBDMP CCOc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000432411982 500512971 /nfs/dbraw/zinc/51/29/71/500512971.db2.gz DDHXLFBFTCRNMF-HZPDHXFCSA-N 2 1 365.474 3.145 20 5 FGBDMP CCOc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000432411982 500512972 /nfs/dbraw/zinc/51/29/72/500512972.db2.gz DDHXLFBFTCRNMF-HZPDHXFCSA-N 2 1 365.474 3.145 20 5 FGBDMP CC[NH+]1CCC(N2CCC[N@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000420976253 500545899 /nfs/dbraw/zinc/54/58/99/500545899.db2.gz GOVZYALHHUJNQI-KRWDZBQOSA-N 2 1 360.502 3.148 20 5 FGBDMP C[N@@H+](CCC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000447515254 500615434 /nfs/dbraw/zinc/61/54/34/500615434.db2.gz BLGDDEUHIDDHAZ-RTBURBONSA-N 2 1 371.485 3.387 20 5 FGBDMP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000433167617 500638301 /nfs/dbraw/zinc/63/83/01/500638301.db2.gz JNSPWDANFAIQIX-HXUWFJFHSA-N 2 1 374.529 3.180 20 5 FGBDMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C[C@H]21 ZINC000435380292 500963646 /nfs/dbraw/zinc/96/36/46/500963646.db2.gz NDUPTKWQYJCYFA-KBRIMQKVSA-N 2 1 358.467 3.278 20 5 FGBDMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C[C@H]21 ZINC000435380292 500963649 /nfs/dbraw/zinc/96/36/49/500963649.db2.gz NDUPTKWQYJCYFA-KBRIMQKVSA-N 2 1 358.467 3.278 20 5 FGBDMP O=[N+]([O-])c1ccc(CC[N@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000435687244 501012069 /nfs/dbraw/zinc/01/20/69/501012069.db2.gz CWWRDDHHMUEBLE-KRWDZBQOSA-N 2 1 372.494 3.238 20 5 FGBDMP O=[N+]([O-])c1ccc(CC[N@@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000435687244 501012071 /nfs/dbraw/zinc/01/20/71/501012071.db2.gz CWWRDDHHMUEBLE-KRWDZBQOSA-N 2 1 372.494 3.238 20 5 FGBDMP C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501030902 502917291 /nfs/dbraw/zinc/91/72/91/502917291.db2.gz XTCAIQHGGAHPBW-UHFFFAOYSA-N 2 1 370.453 3.217 20 5 FGBDMP C[N@@H+]1CC[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1c1ccccc1 ZINC000550699238 505086293 /nfs/dbraw/zinc/08/62/93/505086293.db2.gz GBPDUBNVUIRNHS-YLJYHZDGSA-N 2 1 355.438 3.399 20 5 FGBDMP C[N@H+]1CC[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1c1ccccc1 ZINC000550699238 505086297 /nfs/dbraw/zinc/08/62/97/505086297.db2.gz GBPDUBNVUIRNHS-YLJYHZDGSA-N 2 1 355.438 3.399 20 5 FGBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000595069824 507378258 /nfs/dbraw/zinc/37/82/58/507378258.db2.gz LDXPNUJPGIPLIT-UZLBHIALSA-N 2 1 369.465 3.321 20 5 FGBDMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000783572428 724766702 /nfs/dbraw/zinc/76/67/02/724766702.db2.gz HTXHSSBCFPYCEH-OAHLLOKOSA-N 2 1 355.866 3.181 20 5 FGBDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000783572428 724766706 /nfs/dbraw/zinc/76/67/06/724766706.db2.gz HTXHSSBCFPYCEH-OAHLLOKOSA-N 2 1 355.866 3.181 20 5 FGBDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000809737965 725264017 /nfs/dbraw/zinc/26/40/17/725264017.db2.gz NKMRMAGCSHWHIY-KRWDZBQOSA-N 2 1 368.909 3.096 20 5 FGBDMP [NH3+]CCC[N@@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])CC1CCCC1 ZINC000843385101 730612670 /nfs/dbraw/zinc/61/26/70/730612670.db2.gz XPHZWVGTRMZOMH-UHFFFAOYSA-N 2 1 368.865 3.028 20 5 FGBDMP [NH3+]CCC[N@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])CC1CCCC1 ZINC000843385101 730612674 /nfs/dbraw/zinc/61/26/74/730612674.db2.gz XPHZWVGTRMZOMH-UHFFFAOYSA-N 2 1 368.865 3.028 20 5 FGBDMP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1[N+](=O)[O-] ZINC000090522925 494478486 /nfs/dbraw/zinc/47/84/86/494478486.db2.gz WSRNUBAPNZJMSH-ZTNFWEORSA-N 2 1 361.486 3.322 20 5 FGBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC([NH2+]C2CCCC2)CC1 ZINC000110034530 494941036 /nfs/dbraw/zinc/94/10/36/494941036.db2.gz CLTPTCLEOSKOAP-UHFFFAOYSA-N 2 1 374.485 3.228 20 5 FGBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000173638282 495627218 /nfs/dbraw/zinc/62/72/18/495627218.db2.gz RVBHAIMMQNKGAN-INIZCTEOSA-N 2 1 362.474 3.038 20 5 FGBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000173638282 495627221 /nfs/dbraw/zinc/62/72/21/495627221.db2.gz RVBHAIMMQNKGAN-INIZCTEOSA-N 2 1 362.474 3.038 20 5 FGBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000173638282 495627224 /nfs/dbraw/zinc/62/72/24/495627224.db2.gz RVBHAIMMQNKGAN-INIZCTEOSA-N 2 1 362.474 3.038 20 5 FGBDMP C[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185698463 495685815 /nfs/dbraw/zinc/68/58/15/495685815.db2.gz UXRXVIGGBBWXFS-HZPDHXFCSA-N 2 1 374.485 3.166 20 5 FGBDMP O=[N+]([O-])c1cc(Cl)ccc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173963325 495766183 /nfs/dbraw/zinc/76/61/83/495766183.db2.gz VZDYRPLZGCVZRD-UHFFFAOYSA-N 2 1 367.877 3.325 20 5 FGBDMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000178639964 496527133 /nfs/dbraw/zinc/52/71/33/496527133.db2.gz HMPNRHJLMHIFRC-MRXNPFEDSA-N 2 1 355.438 3.278 20 5 FGBDMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000248446433 497014166 /nfs/dbraw/zinc/01/41/66/497014166.db2.gz MYKMRCRZJJWLFZ-KKSFZXQISA-N 2 1 369.465 3.402 20 5 FGBDMP C[C@H]1C[NH+](CC2CC[NH+](Cc3ccc([N+](=O)[O-])cc3F)CC2)C[C@H](C)O1 ZINC000332094762 498560036 /nfs/dbraw/zinc/56/00/36/498560036.db2.gz BKGYBVQVTQCCNJ-GJZGRUSLSA-N 2 1 365.449 3.055 20 5 FGBDMP C[N@@H+](C[C@@H]1CC12CC[NH+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC2)C1CC1 ZINC000365798449 498645408 /nfs/dbraw/zinc/64/54/08/498645408.db2.gz UYUPLQFQDIDVFA-HNNXBMFYSA-N 2 1 374.441 3.199 20 5 FGBDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000398005745 499565846 /nfs/dbraw/zinc/56/58/46/499565846.db2.gz YUWXETSWLPGYAH-UWJYYQICSA-N 2 1 369.465 3.474 20 5 FGBDMP C[C@@H](NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000423579157 500386279 /nfs/dbraw/zinc/38/62/79/500386279.db2.gz VUINHNYLPNROIV-QGZVFWFLSA-N 2 1 368.481 3.239 20 5 FGBDMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C[C@H]21 ZINC000435380291 500963556 /nfs/dbraw/zinc/96/35/56/500963556.db2.gz NDUPTKWQYJCYFA-IAOVAPTHSA-N 2 1 358.467 3.278 20 5 FGBDMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C[C@H]21 ZINC000435380291 500963558 /nfs/dbraw/zinc/96/35/58/500963558.db2.gz NDUPTKWQYJCYFA-IAOVAPTHSA-N 2 1 358.467 3.278 20 5 FGBDMP O=[N+]([O-])c1ccccc1OCC[N@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000435617967 501002978 /nfs/dbraw/zinc/00/29/78/501002978.db2.gz RIUQWBSMHNBOQP-SFHVURJKSA-N 2 1 370.453 3.013 20 5 FGBDMP O=[N+]([O-])c1ccccc1OCC[N@@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000435617967 501002982 /nfs/dbraw/zinc/00/29/82/501002982.db2.gz RIUQWBSMHNBOQP-SFHVURJKSA-N 2 1 370.453 3.013 20 5 FGBDMP O=[N+]([O-])c1cccc(OCC[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)c1 ZINC000435619814 501003297 /nfs/dbraw/zinc/00/32/97/501003297.db2.gz WROWDJIFBHESNR-SFHVURJKSA-N 2 1 370.453 3.013 20 5 FGBDMP O=[N+]([O-])c1cccc(OCC[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)c1 ZINC000435619814 501003298 /nfs/dbraw/zinc/00/32/98/501003298.db2.gz WROWDJIFBHESNR-SFHVURJKSA-N 2 1 370.453 3.013 20 5 FGBDMP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](Oc2cccnc2N(C)C)C1 ZINC000451030747 501240523 /nfs/dbraw/zinc/24/05/23/501240523.db2.gz UOYOCDPNGFZAQC-LSDHHAIUSA-N 2 1 356.426 3.270 20 5 FGBDMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])[C@@H](C)C1 ZINC000516193220 503467476 /nfs/dbraw/zinc/46/74/76/503467476.db2.gz IAGJKJVYTLLJGD-ZYSHUDEJSA-N 2 1 361.486 3.309 20 5 FGBDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])[C@@H](C)C1 ZINC000516193220 503467478 /nfs/dbraw/zinc/46/74/78/503467478.db2.gz IAGJKJVYTLLJGD-ZYSHUDEJSA-N 2 1 361.486 3.309 20 5 FGBDMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000532988509 503689374 /nfs/dbraw/zinc/68/93/74/503689374.db2.gz XWFZAIAEZIWYAK-ZBFHGGJFSA-N 2 1 362.474 3.036 20 5 FGBDMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000532988509 503689382 /nfs/dbraw/zinc/68/93/82/503689382.db2.gz XWFZAIAEZIWYAK-ZBFHGGJFSA-N 2 1 362.474 3.036 20 5 FGBDMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000532988509 503689386 /nfs/dbraw/zinc/68/93/86/503689386.db2.gz XWFZAIAEZIWYAK-ZBFHGGJFSA-N 2 1 362.474 3.036 20 5 FGBDMP C[C@@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000531703139 504397319 /nfs/dbraw/zinc/39/73/19/504397319.db2.gz JCFYIIUCNXJRCY-UTKZUKDTSA-N 2 1 368.481 3.234 20 5 FGBDMP Cn1ccnc1[C@H]([NH2+]CCCCC[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000556233281 504824282 /nfs/dbraw/zinc/82/42/82/504824282.db2.gz OFFQULYYEMJYHM-LJQANCHMSA-N 2 1 371.485 3.273 20 5 FGBDMP CC[NH2+]CC1CC[NH+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000157908464 705167374 /nfs/dbraw/zinc/16/73/74/705167374.db2.gz YAFQDGUIOGOFBS-UHFFFAOYSA-N 2 1 356.264 3.179 20 5 FGBDMP C[C@H]1CC2(C[N@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1)CC[NH2+]CC2 ZINC000818339878 727308314 /nfs/dbraw/zinc/30/83/14/727308314.db2.gz GFZKOTMXGBJVLQ-LBPRGKRZSA-N 2 1 368.275 3.321 20 5 FGBDMP CC(C)c1ccc(C[NH2+]Cc2ccncc2OCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000579877930 505636850 /nfs/dbraw/zinc/63/68/50/505636850.db2.gz XHICHFDDDUNPQF-UHFFFAOYSA-N 2 1 372.469 3.343 20 5 FGBDMP CC(C)[NH2+]C1CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000108368629 494690411 /nfs/dbraw/zinc/69/04/11/494690411.db2.gz HYBYQBWPYVPBDD-UHFFFAOYSA-N 2 1 358.442 3.255 20 5 FGBDMP C[NH+](C)[C@@H]1CCC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000277098868 497740701 /nfs/dbraw/zinc/74/07/01/497740701.db2.gz GIKGYBCXBVALFN-MRXNPFEDSA-N 2 1 358.442 3.208 20 5 FGBDMP C[C@@H]([NH2+]CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000370660060 499240986 /nfs/dbraw/zinc/24/09/86/499240986.db2.gz IPRTZSZNQZATIU-QGZVFWFLSA-N 3 1 374.529 3.442 20 5 FGBDMP O=[N+]([O-])c1cccc(-c2cnc(CC[NH+]3CCC([NH2+]CC4CC4)CC3)o2)c1 ZINC000430556706 500253646 /nfs/dbraw/zinc/25/36/46/500253646.db2.gz ZKCOUTVKGNMFKW-UHFFFAOYSA-N 2 1 370.453 3.256 20 5 FGBDMP CC1(C)C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000433294071 500663553 /nfs/dbraw/zinc/66/35/53/500663553.db2.gz JOBTWSBSHDEHNL-ZCNNSNEGSA-N 2 1 373.497 3.285 20 5 FGBDMP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596096027 506255818 /nfs/dbraw/zinc/25/58/18/506255818.db2.gz UEUMGBOAEMGVQJ-RDJZCZTQSA-N 2 1 374.485 3.024 20 5 FGBDMP Cc1cc(N2CCC3(CCC[N@@H+]3C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000485199962 501753097 /nfs/dbraw/zinc/75/30/97/501753097.db2.gz UDDMNGYDVVHXRU-UHFFFAOYSA-N 2 1 367.453 3.425 20 5 FGBDMP C[N@H+]1CCCC[C@H](CNCc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602724032 506273987 /nfs/dbraw/zinc/27/39/87/506273987.db2.gz PKLGQOUXEUGVHN-SNVBAGLBSA-N 2 1 362.293 3.240 20 5 FGBDMP Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000602782620 506296872 /nfs/dbraw/zinc/29/68/72/506296872.db2.gz DWCHFSJSYHKVPA-MRXNPFEDSA-N 2 1 363.506 3.076 20 5 FGBDMP O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)C1CC1 ZINC000482549272 502107996 /nfs/dbraw/zinc/10/79/96/502107996.db2.gz ABJXTBVUTGYLLX-IBGZPJMESA-N 2 1 373.497 3.151 20 5 FGBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000470169039 502691076 /nfs/dbraw/zinc/69/10/76/502691076.db2.gz AYERPVOZZZENBX-VLEWFEDVSA-N 2 1 359.470 3.182 20 5 FGBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000470169039 502691080 /nfs/dbraw/zinc/69/10/80/502691080.db2.gz AYERPVOZZZENBX-VLEWFEDVSA-N 2 1 359.470 3.182 20 5 FGBDMP COc1cc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c([N+](=O)[O-])cc1OC ZINC000535082964 504337893 /nfs/dbraw/zinc/33/78/93/504337893.db2.gz HCFJQEJZKZXHRV-UHFFFAOYSA-N 2 1 365.474 3.164 20 5 FGBDMP COc1ccc(C[N@H+](C)C2CC([NH3+])C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000566229968 505118706 /nfs/dbraw/zinc/11/87/06/505118706.db2.gz WPNNJSXWKHTJBP-UHFFFAOYSA-N 2 1 371.437 3.104 20 5 FGBDMP COc1ccc(C[N@@H+](C)C2CC([NH3+])C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000566229968 505118710 /nfs/dbraw/zinc/11/87/10/505118710.db2.gz WPNNJSXWKHTJBP-UHFFFAOYSA-N 2 1 371.437 3.104 20 5 FGBDMP C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1CCC[NH3+] ZINC000595904840 507735857 /nfs/dbraw/zinc/73/58/57/507735857.db2.gz MMLSGGRWHGHTBX-IUODEOHRSA-N 2 1 368.865 3.026 20 5 FGBDMP C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000075684835 494816008 /nfs/dbraw/zinc/81/60/08/494816008.db2.gz QEWAAKDPGAVVAI-BBWFWOEESA-N 2 1 361.486 3.477 20 5 FGBDMP Cc1[nH+]ccn1CCCC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000124714461 495331748 /nfs/dbraw/zinc/33/17/48/495331748.db2.gz OGCZERAFIOIVAJ-UHFFFAOYSA-N 2 1 358.442 3.423 20 5 FGBDMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000180644421 496084000 /nfs/dbraw/zinc/08/40/00/496084000.db2.gz LCHJZWWXZHTJJH-YWZLYKJASA-N 2 1 355.438 3.012 20 5 FGBDMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000180644441 496084791 /nfs/dbraw/zinc/08/47/91/496084791.db2.gz LCHJZWWXZHTJJH-QRWLVFNGSA-N 2 1 355.438 3.012 20 5 FGBDMP Cc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1[N+](=O)[O-] ZINC000246554269 497772907 /nfs/dbraw/zinc/77/29/07/497772907.db2.gz WSRNUBAPNZJMSH-QKYXUNIQSA-N 2 1 361.486 3.322 20 5 FGBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000332403957 498678757 /nfs/dbraw/zinc/67/87/57/498678757.db2.gz WEWISXFNZGXJIL-IAGOWNOFSA-N 2 1 360.502 3.065 20 5 FGBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000332403957 498678765 /nfs/dbraw/zinc/67/87/65/498678765.db2.gz WEWISXFNZGXJIL-IAGOWNOFSA-N 2 1 360.502 3.065 20 5 FGBDMP Cc1c(NC(=O)CC[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)cccc1[N+](=O)[O-] ZINC000366864274 499098995 /nfs/dbraw/zinc/09/89/95/499098995.db2.gz KDCDVFFDIATDFU-UHFFFAOYSA-N 2 1 374.485 3.040 20 5 FGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378506774 499525362 /nfs/dbraw/zinc/52/53/62/499525362.db2.gz JFBJPRGXZLHECG-QFBILLFUSA-N 2 1 360.502 3.065 20 5 FGBDMP Cc1c(CN(C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)cccc1[N+](=O)[O-] ZINC000375779986 499555083 /nfs/dbraw/zinc/55/50/83/499555083.db2.gz NLTIJUCVIISZRH-ICSRJNTNSA-N 2 1 354.454 3.423 20 5 FGBDMP Cc1c(CN(C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)cccc1[N+](=O)[O-] ZINC000375779986 499555084 /nfs/dbraw/zinc/55/50/84/499555084.db2.gz NLTIJUCVIISZRH-ICSRJNTNSA-N 2 1 354.454 3.423 20 5 FGBDMP C[C@H]1C[N@@H+](CCC[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000417336403 500043208 /nfs/dbraw/zinc/04/32/08/500043208.db2.gz VEOGWWUBXKFSQW-OXJNMPFZSA-N 2 1 361.486 3.453 20 5 FGBDMP Cn1cc[nH+]c1[C@H]1CCN(Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602663680 506251913 /nfs/dbraw/zinc/25/19/13/506251913.db2.gz BKJBTJMFKZRISS-VIFPVBQESA-N 2 1 371.260 3.142 20 5 FGBDMP CC(C)[N@H+](C)CC1CC[NH+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000532538200 504687311 /nfs/dbraw/zinc/68/73/11/504687311.db2.gz MCJZQDAULZYCBG-UHFFFAOYSA-N 2 1 373.457 3.197 20 5 FGBDMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000532538200 504687314 /nfs/dbraw/zinc/68/73/14/504687314.db2.gz MCJZQDAULZYCBG-UHFFFAOYSA-N 2 1 373.457 3.197 20 5 FGBDMP C[C@@H]1CC2(C[N@H+]1Cc1c(Br)cccc1[N+](=O)[O-])CC[NH2+]CC2 ZINC000818431937 727311234 /nfs/dbraw/zinc/31/12/34/727311234.db2.gz WZCLSWJLPSNNRI-GFCCVEGCSA-N 2 1 368.275 3.321 20 5 FGBDMP [NH3+]CCC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CC1CCCC1 ZINC000573848242 505634465 /nfs/dbraw/zinc/63/44/65/505634465.db2.gz WPULEHZZIHNFSJ-UHFFFAOYSA-N 2 1 368.865 3.028 20 5 FGBDMP [NH3+]CCC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CC1CCCC1 ZINC000573848242 505634466 /nfs/dbraw/zinc/63/44/66/505634466.db2.gz WPULEHZZIHNFSJ-UHFFFAOYSA-N 2 1 368.865 3.028 20 5 FGBDMP C[C@H](CC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000184340888 496341341 /nfs/dbraw/zinc/34/13/41/496341341.db2.gz CKBKIYZZDYGUIM-MRXNPFEDSA-N 2 1 371.485 3.349 20 5 FGBDMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000153783468 496579405 /nfs/dbraw/zinc/57/94/05/496579405.db2.gz PPMUWCZLUNHJSG-MRXNPFEDSA-N 2 1 355.438 3.278 20 5 FGBDMP Cc1cc(N2CC[NH+](Cc3ccncc3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302153492 498419860 /nfs/dbraw/zinc/41/98/60/498419860.db2.gz IIKHOZXGUYDNHY-UHFFFAOYSA-N 2 1 363.421 3.169 20 5 FGBDMP COc1cc(C[NH2+][C@@H](C[NH3+])C2CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414793039 499831984 /nfs/dbraw/zinc/83/19/84/499831984.db2.gz CYHWSKJHRIXAOK-SFHVURJKSA-N 2 1 371.437 3.009 20 5 FGBDMP COc1ccc(-c2ccc(C[N@H+]3CC[C@H](C)[C@H](C[NH3+])C3)o2)c([N+](=O)[O-])c1 ZINC000415123744 499866996 /nfs/dbraw/zinc/86/69/96/499866996.db2.gz JOOSXNRBHGMQOI-UONOGXRCSA-N 2 1 359.426 3.280 20 5 FGBDMP CC1(C)C[C@@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000423509453 500380535 /nfs/dbraw/zinc/38/05/35/500380535.db2.gz MIJVSYLTYNKVLQ-ALLBUHFWSA-N 2 1 372.513 3.123 20 5 FGBDMP C[N@H+]1CCCC[C@@H](CNCc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602724030 506273790 /nfs/dbraw/zinc/27/37/90/506273790.db2.gz PKLGQOUXEUGVHN-JTQLQIEISA-N 2 1 362.293 3.240 20 5 FGBDMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000533310239 503803820 /nfs/dbraw/zinc/80/38/20/503803820.db2.gz FHPQHYSFBFAUAI-JKSUJKDBSA-N 2 1 362.474 3.036 20 5 FGBDMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000533310239 503803827 /nfs/dbraw/zinc/80/38/27/503803827.db2.gz FHPQHYSFBFAUAI-JKSUJKDBSA-N 2 1 362.474 3.036 20 5 FGBDMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000533310239 503803831 /nfs/dbraw/zinc/80/38/31/503803831.db2.gz FHPQHYSFBFAUAI-JKSUJKDBSA-N 2 1 362.474 3.036 20 5 FGBDMP O=[N+]([O-])c1ccc(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)cc1 ZINC000595908750 507736779 /nfs/dbraw/zinc/73/67/79/507736779.db2.gz PVFLCVLMOOKIAW-UHFFFAOYSA-N 2 1 369.469 3.165 20 5 FGBDMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000783572427 724766608 /nfs/dbraw/zinc/76/66/08/724766608.db2.gz HTXHSSBCFPYCEH-HNNXBMFYSA-N 2 1 355.866 3.181 20 5 FGBDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000783572427 724766617 /nfs/dbraw/zinc/76/66/17/724766617.db2.gz HTXHSSBCFPYCEH-HNNXBMFYSA-N 2 1 355.866 3.181 20 5 FGBDMP O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000843125255 730588758 /nfs/dbraw/zinc/58/87/58/730588758.db2.gz PIXDLKSWWRQRRF-QWHCGFSZSA-N 2 1 368.275 3.179 20 5 FGBDMP O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000843125256 730588802 /nfs/dbraw/zinc/58/88/02/730588802.db2.gz PIXDLKSWWRQRRF-STQMWFEESA-N 2 1 368.275 3.179 20 5 FGBDMP O=[N+]([O-])c1cccc(Br)c1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000843128922 730589326 /nfs/dbraw/zinc/58/93/26/730589326.db2.gz ZHWXCQCZWRCNDV-CYBMUJFWSA-N 2 1 368.275 3.179 20 5 FGBDMP Cn1cc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093659893 494908054 /nfs/dbraw/zinc/90/80/54/494908054.db2.gz YQMZOUSJRACIDH-GOSISDBHSA-N 2 1 371.485 3.302 20 5 FGBDMP Cn1cc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093659893 494908056 /nfs/dbraw/zinc/90/80/56/494908056.db2.gz YQMZOUSJRACIDH-GOSISDBHSA-N 2 1 371.485 3.302 20 5 FGBDMP Cn1cc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093659893 494908058 /nfs/dbraw/zinc/90/80/58/494908058.db2.gz YQMZOUSJRACIDH-GOSISDBHSA-N 2 1 371.485 3.302 20 5 FGBDMP Cn1cc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093659893 494908059 /nfs/dbraw/zinc/90/80/59/494908059.db2.gz YQMZOUSJRACIDH-GOSISDBHSA-N 2 1 371.485 3.302 20 5 FGBDMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000153783377 496579768 /nfs/dbraw/zinc/57/97/68/496579768.db2.gz PPMUWCZLUNHJSG-INIZCTEOSA-N 2 1 355.438 3.278 20 5 FGBDMP O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000278749458 497207701 /nfs/dbraw/zinc/20/77/01/497207701.db2.gz ATKUETZIOVYYQM-IBGZPJMESA-N 2 1 370.453 3.041 20 5 FGBDMP C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000246312302 497692717 /nfs/dbraw/zinc/69/27/17/497692717.db2.gz QTILUIZYMKOEBG-GHTZIAJQSA-N 2 1 369.465 3.082 20 5 FGBDMP C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000246312302 497692721 /nfs/dbraw/zinc/69/27/21/497692721.db2.gz QTILUIZYMKOEBG-GHTZIAJQSA-N 2 1 369.465 3.082 20 5 FGBDMP C[NH+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000246312302 497692724 /nfs/dbraw/zinc/69/27/24/497692724.db2.gz QTILUIZYMKOEBG-GHTZIAJQSA-N 2 1 369.465 3.082 20 5 FGBDMP C[NH+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000246312302 497692727 /nfs/dbraw/zinc/69/27/27/497692727.db2.gz QTILUIZYMKOEBG-GHTZIAJQSA-N 2 1 369.465 3.082 20 5 FGBDMP C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285464414 498094908 /nfs/dbraw/zinc/09/49/08/498094908.db2.gz KAIDFYNZZKBVHW-BYICEURKSA-N 2 1 370.453 3.349 20 5 FGBDMP C[NH+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285464414 498094925 /nfs/dbraw/zinc/09/49/25/498094925.db2.gz KAIDFYNZZKBVHW-BYICEURKSA-N 2 1 370.453 3.349 20 5 FGBDMP C[NH+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285464414 498094917 /nfs/dbraw/zinc/09/49/17/498094917.db2.gz KAIDFYNZZKBVHW-BYICEURKSA-N 2 1 370.453 3.349 20 5 FGBDMP CC1CC[NH+](C[C@@H]2CCC[N@H+](CCOc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000303039658 498643374 /nfs/dbraw/zinc/64/33/74/498643374.db2.gz RWTGJEAVCLCBBV-GOSISDBHSA-N 2 1 361.486 3.418 20 5 FGBDMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCOc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000303039658 498643382 /nfs/dbraw/zinc/64/33/82/498643382.db2.gz RWTGJEAVCLCBBV-GOSISDBHSA-N 2 1 361.486 3.418 20 5 FGBDMP COc1ccc(C[NH2+][C@H](C[NH3+])C2CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414807113 499833240 /nfs/dbraw/zinc/83/32/40/499833240.db2.gz QUCBVXALCQPOSG-GOSISDBHSA-N 2 1 371.437 3.009 20 5 FGBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](Oc2cccnc2N(C)C)C1 ZINC000451030746 501240645 /nfs/dbraw/zinc/24/06/45/501240645.db2.gz UOYOCDPNGFZAQC-HUUCEWRRSA-N 2 1 356.426 3.270 20 5 FGBDMP C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464828542 502108978 /nfs/dbraw/zinc/10/89/78/502108978.db2.gz CGCUYXGRATXKOX-LJQANCHMSA-N 2 1 369.465 3.428 20 5 FGBDMP C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464828542 502108983 /nfs/dbraw/zinc/10/89/83/502108983.db2.gz CGCUYXGRATXKOX-LJQANCHMSA-N 2 1 369.465 3.428 20 5 FGBDMP C[NH+](CCOc1ccc([N+](=O)[O-])cc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464828542 502108988 /nfs/dbraw/zinc/10/89/88/502108988.db2.gz CGCUYXGRATXKOX-LJQANCHMSA-N 2 1 369.465 3.428 20 5 FGBDMP C[NH+](CCOc1ccc([N+](=O)[O-])cc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464828542 502108994 /nfs/dbraw/zinc/10/89/94/502108994.db2.gz CGCUYXGRATXKOX-LJQANCHMSA-N 2 1 369.465 3.428 20 5 FGBDMP O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)o2)c1 ZINC000521442402 504738828 /nfs/dbraw/zinc/73/88/28/504738828.db2.gz DAFYMHVGTAURFJ-SJORKVTESA-N 2 1 370.453 3.114 20 5 FGBDMP C[N@H+](CCCC[NH+]1CCCCC1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000603110574 506423475 /nfs/dbraw/zinc/42/34/75/506423475.db2.gz LYSFHZCEEMGJJE-UHFFFAOYSA-N 2 1 373.457 3.343 20 5 FGBDMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000603110574 506423479 /nfs/dbraw/zinc/42/34/79/506423479.db2.gz LYSFHZCEEMGJJE-UHFFFAOYSA-N 2 1 373.457 3.343 20 5 FGBDMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000593319904 506536732 /nfs/dbraw/zinc/53/67/32/506536732.db2.gz FYBCUMZSXMOLMR-KBRIMQKVSA-N 2 1 353.850 3.109 20 5 FGBDMP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000597248300 506858846 /nfs/dbraw/zinc/85/88/46/506858846.db2.gz PMRVPGOPTCYWAE-GOSISDBHSA-N 2 1 373.453 3.397 20 5 FGBDMP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000597248300 506858853 /nfs/dbraw/zinc/85/88/53/506858853.db2.gz PMRVPGOPTCYWAE-GOSISDBHSA-N 2 1 373.453 3.397 20 5 FGBDMP COc1ccc(-c2ccc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)o2)c([N+](=O)[O-])c1 ZINC000592433650 507656047 /nfs/dbraw/zinc/65/60/47/507656047.db2.gz NJTQCBNKIZUWKR-GASCZTMLSA-N 2 1 371.437 3.295 20 5 FGBDMP O=[N+]([O-])c1cccc(Br)c1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000843128923 730589392 /nfs/dbraw/zinc/58/93/92/730589392.db2.gz ZHWXCQCZWRCNDV-ZDUSSCGKSA-N 2 1 368.275 3.179 20 5 FGBDMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000846226763 730938062 /nfs/dbraw/zinc/93/80/62/730938062.db2.gz BODXDOAZJSNPGG-HYVNUMGLSA-N 2 1 353.850 3.109 20 5 FGBDMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000846226763 730938063 /nfs/dbraw/zinc/93/80/63/730938063.db2.gz BODXDOAZJSNPGG-HYVNUMGLSA-N 2 1 353.850 3.109 20 5 FGBDMP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3csc([N+](=O)[O-])c3)CC2)C[C@@H](C)O1 ZINC000177479220 496077746 /nfs/dbraw/zinc/07/77/46/496077746.db2.gz GDPCKNRPFQPOLV-HUUCEWRRSA-N 2 1 367.515 3.368 20 5 FGBDMP COc1cc(C[NH+]2CCC(CCC[NH+](C)C)CC2)c([N+](=O)[O-])cc1F ZINC000184291532 496321665 /nfs/dbraw/zinc/32/16/65/496321665.db2.gz XKHFEHUJLFQRDO-UHFFFAOYSA-N 2 1 353.438 3.296 20 5 FGBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157344817 496459051 /nfs/dbraw/zinc/45/90/51/496459051.db2.gz FDXFZKUVIPHENR-KRWDZBQOSA-N 2 1 374.485 3.182 20 5 FGBDMP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000271072791 497258008 /nfs/dbraw/zinc/25/80/08/497258008.db2.gz FSNYRNBHBCGGGW-OAHLLOKOSA-N 2 1 367.515 3.166 20 5 FGBDMP COc1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)cc1[N+](=O)[O-] ZINC000311600233 498752454 /nfs/dbraw/zinc/75/24/54/498752454.db2.gz GPCLIDPGYVBQDM-MAUKXSAKSA-N 2 1 355.438 3.356 20 5 FGBDMP Cn1cnc([N+](=O)[O-])c1C[N@H+](C)CC1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000370056180 499172421 /nfs/dbraw/zinc/17/24/21/499172421.db2.gz PCKLSZFWONNQQR-UHFFFAOYSA-N 2 1 371.485 3.062 20 5 FGBDMP Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)CC1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000370056180 499172424 /nfs/dbraw/zinc/17/24/24/499172424.db2.gz PCKLSZFWONNQQR-UHFFFAOYSA-N 2 1 371.485 3.062 20 5 FGBDMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000372353368 499424056 /nfs/dbraw/zinc/42/40/56/499424056.db2.gz FMKLXCASCXEVSG-XOKHGSTOSA-N 2 1 367.877 3.227 20 5 FGBDMP COc1ccc(-c2ccc(C[NH2+]C[C@]3(C)CCC[NH2+]C3)o2)c([N+](=O)[O-])c1 ZINC000414916488 499844284 /nfs/dbraw/zinc/84/42/84/499844284.db2.gz PREXPQYURFCXQE-LJQANCHMSA-N 2 1 359.426 3.343 20 5 FGBDMP CC1(C)C[C@@H]([NH2+]CCC[NH2+]Cc2cccnc2)c2cc([N+](=O)[O-])ccc21 ZINC000423194249 500354305 /nfs/dbraw/zinc/35/43/05/500354305.db2.gz YQZMHGCFYREGSM-LJQANCHMSA-N 2 1 354.454 3.482 20 5 FGBDMP Cc1cccc(N2CCC([NH2+][C@H](C)Cc3ccccc3[N+](=O)[O-])CC2)[nH+]1 ZINC000449137779 500933182 /nfs/dbraw/zinc/93/31/82/500933182.db2.gz AFWZWVZEQWSUGP-MRXNPFEDSA-N 2 1 354.454 3.488 20 5 FGBDMP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596096028 506255632 /nfs/dbraw/zinc/25/56/32/506255632.db2.gz UEUMGBOAEMGVQJ-WBVHZDCISA-N 2 1 374.485 3.024 20 5 FGBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000479765787 502370760 /nfs/dbraw/zinc/37/07/60/502370760.db2.gz JWGZDFQMDUSGCX-UHFFFAOYSA-N 2 1 370.453 3.083 20 5 FGBDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602512292 507733695 /nfs/dbraw/zinc/73/36/95/507733695.db2.gz XJQMWWPMBULERO-SECBINFHSA-N 2 1 373.276 3.350 20 5 FGBDMP COc1cc(CNCc2cccc(C[N@@H+](C)C(C)C)c2)c([N+](=O)[O-])cc1O ZINC000101595569 495083148 /nfs/dbraw/zinc/08/31/48/495083148.db2.gz CPNZBMOAZKTOPB-UHFFFAOYSA-N 2 1 373.453 3.439 20 5 FGBDMP O=[N+]([O-])c1ccc(OCCC[N@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)cc1 ZINC000246998768 496746375 /nfs/dbraw/zinc/74/63/75/496746375.db2.gz WUSNWOUAVBRQET-OXJNMPFZSA-N 2 1 359.470 3.312 20 5 FGBDMP O=[N+]([O-])c1ccc(OCCCN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246998768 496746382 /nfs/dbraw/zinc/74/63/82/496746382.db2.gz WUSNWOUAVBRQET-OXJNMPFZSA-N 2 1 359.470 3.312 20 5 FGBDMP O=[N+]([O-])c1ccc(OCCCN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246998768 496746387 /nfs/dbraw/zinc/74/63/87/496746387.db2.gz WUSNWOUAVBRQET-OXJNMPFZSA-N 2 1 359.470 3.312 20 5 FGBDMP O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246998768 496746392 /nfs/dbraw/zinc/74/63/92/496746392.db2.gz WUSNWOUAVBRQET-OXJNMPFZSA-N 2 1 359.470 3.312 20 5 FGBDMP O=[N+]([O-])c1ccc(OCCC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246998768 496746395 /nfs/dbraw/zinc/74/63/95/496746395.db2.gz WUSNWOUAVBRQET-OXJNMPFZSA-N 2 1 359.470 3.312 20 5 FGBDMP O=[N+]([O-])c1ccc(OCCC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246998768 496746403 /nfs/dbraw/zinc/74/64/03/496746403.db2.gz WUSNWOUAVBRQET-OXJNMPFZSA-N 2 1 359.470 3.312 20 5 FGBDMP O=[N+]([O-])c1ccc(OCCC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246998768 496746406 /nfs/dbraw/zinc/74/64/06/496746406.db2.gz WUSNWOUAVBRQET-OXJNMPFZSA-N 2 1 359.470 3.312 20 5 FGBDMP Cc1ccc([C@H](C)[NH2+]Cc2ccncc2OCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000290378302 498529226 /nfs/dbraw/zinc/52/92/26/498529226.db2.gz RRHRSOMWUHBMAG-INIZCTEOSA-N 2 1 372.469 3.480 20 5 FGBDMP COc1ccc(C[N@@H+](C)C2CCN(c3cc[nH+]cc3)CC2)cc1[N+](=O)[O-] ZINC000377699939 499722197 /nfs/dbraw/zinc/72/21/97/499722197.db2.gz QZLPOOLNNOWKQX-UHFFFAOYSA-N 2 1 356.426 3.099 20 5 FGBDMP COc1ccc(-c2ccc(C[N@H+]3CCC[C@H]([C@H](C)[NH3+])C3)o2)c([N+](=O)[O-])c1 ZINC000414654782 499817518 /nfs/dbraw/zinc/81/75/18/499817518.db2.gz GOSFOALWXYFZHI-KBPBESRZSA-N 2 1 359.426 3.423 20 5 FGBDMP CC[C@H]([NH3+])C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000414983231 499851490 /nfs/dbraw/zinc/85/14/90/499851490.db2.gz SVCQDGSJXXNTJK-KRWDZBQOSA-N 2 1 365.437 3.274 20 5 FGBDMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423526377 500382127 /nfs/dbraw/zinc/38/21/27/500382127.db2.gz VDEKYVMKHJANSR-KGLIPLIRSA-N 2 1 361.467 3.352 20 5 FGBDMP C[NH+](C)CCN1CCC(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000433167616 500638341 /nfs/dbraw/zinc/63/83/41/500638341.db2.gz JNSPWDANFAIQIX-FQEVSTJZSA-N 2 1 374.529 3.180 20 5 FGBDMP CC1(C)C[C@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000433294068 500664013 /nfs/dbraw/zinc/66/40/13/500664013.db2.gz JOBTWSBSHDEHNL-SLFFLAALSA-N 2 1 373.497 3.285 20 5 FGBDMP O=[N+]([O-])c1ccc(OCC[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1 ZINC000435613294 501001440 /nfs/dbraw/zinc/00/14/40/501001440.db2.gz AUYZOSVJOMOKKI-SFHVURJKSA-N 2 1 370.453 3.013 20 5 FGBDMP O=[N+]([O-])c1ccc(OCC[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1 ZINC000435613294 501001444 /nfs/dbraw/zinc/00/14/44/501001444.db2.gz AUYZOSVJOMOKKI-SFHVURJKSA-N 2 1 370.453 3.013 20 5 FGBDMP O=[N+]([O-])c1cccc(OCC[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000471018641 501893127 /nfs/dbraw/zinc/89/31/27/501893127.db2.gz LLWHJSPWGXYYSK-KDURUIRLSA-N 2 1 367.449 3.037 20 5 FGBDMP O=[N+]([O-])c1cccc(OCC[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000471018641 501893130 /nfs/dbraw/zinc/89/31/30/501893130.db2.gz LLWHJSPWGXYYSK-KDURUIRLSA-N 2 1 367.449 3.037 20 5 FGBDMP O=[N+]([O-])c1cccc(OCC[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000471018641 501893133 /nfs/dbraw/zinc/89/31/33/501893133.db2.gz LLWHJSPWGXYYSK-KDURUIRLSA-N 2 1 367.449 3.037 20 5 FGBDMP O=[N+]([O-])c1cccc(OCC[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000471018641 501893134 /nfs/dbraw/zinc/89/31/34/501893134.db2.gz LLWHJSPWGXYYSK-KDURUIRLSA-N 2 1 367.449 3.037 20 5 FGBDMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000539818360 504700367 /nfs/dbraw/zinc/70/03/67/504700367.db2.gz XEXNBUFTQKRCOM-DNVCBOLYSA-N 2 1 371.485 3.300 20 5 FGBDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000539818360 504700369 /nfs/dbraw/zinc/70/03/69/504700369.db2.gz XEXNBUFTQKRCOM-DNVCBOLYSA-N 2 1 371.485 3.300 20 5 FGBDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000539818360 504700373 /nfs/dbraw/zinc/70/03/73/504700373.db2.gz XEXNBUFTQKRCOM-DNVCBOLYSA-N 2 1 371.485 3.300 20 5 FGBDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000539818360 504700375 /nfs/dbraw/zinc/70/03/75/504700375.db2.gz XEXNBUFTQKRCOM-DNVCBOLYSA-N 2 1 371.485 3.300 20 5 FGBDMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000583019895 506543735 /nfs/dbraw/zinc/54/37/35/506543735.db2.gz QEWCYNFSHXXCKQ-MRXNPFEDSA-N 2 1 362.474 3.025 20 5 FGBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000595904667 507735659 /nfs/dbraw/zinc/73/56/59/507735659.db2.gz KIDBDTNTQJEPFL-RDTXWAMCSA-N 2 1 362.474 3.071 20 5 FGBDMP CC[NH+](CC)CC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000774835443 723934294 /nfs/dbraw/zinc/93/42/94/723934294.db2.gz MMJIJJUJJKGMKX-UHFFFAOYSA-N 2 1 350.419 3.057 20 5 FGBDMP O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)ccc1Br ZINC000843125840 730588995 /nfs/dbraw/zinc/58/89/95/730588995.db2.gz JJPHSCAFPJSBPT-KGLIPLIRSA-N 2 1 368.275 3.179 20 5 FGBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000174226048 495871694 /nfs/dbraw/zinc/87/16/94/495871694.db2.gz UXPCBJZDSLVTRJ-AEFFLSMTSA-N 2 1 374.485 3.179 20 5 FGBDMP Cc1cc(N2CCC([NH2+][C@@H](C)c3ccc([N+](=O)[O-])cc3)CC2)nc(C)[nH+]1 ZINC000178695738 496543632 /nfs/dbraw/zinc/54/36/32/496543632.db2.gz FOEZIRIREGCRKR-AWEZNQCLSA-N 2 1 355.442 3.321 20 5 FGBDMP COc1ccc(-c2ccc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)o2)c([N+](=O)[O-])c1 ZINC000574917096 505883002 /nfs/dbraw/zinc/88/30/02/505883002.db2.gz RJULFRLOOMGIKV-MORSLUCNSA-N 2 1 371.437 3.423 20 5 FGBDMP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C1CC[NH+](CCOC)CC1 ZINC000271189659 497285629 /nfs/dbraw/zinc/28/56/29/497285629.db2.gz XJHJEJOFHFIQCO-HNNXBMFYSA-N 2 1 367.515 3.166 20 5 FGBDMP CC1(C)C[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000279144407 497347982 /nfs/dbraw/zinc/34/79/82/497347982.db2.gz SDAWWEMVHZSHKP-MGPUTAFESA-N 2 1 373.497 3.408 20 5 FGBDMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000290639619 498630226 /nfs/dbraw/zinc/63/02/26/498630226.db2.gz YJZUJSURBRBEDT-UHFFFAOYSA-N 2 1 354.357 3.223 20 5 FGBDMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000290639619 498630231 /nfs/dbraw/zinc/63/02/31/498630231.db2.gz YJZUJSURBRBEDT-UHFFFAOYSA-N 2 1 354.357 3.223 20 5 FGBDMP CC(C)c1ccc(C[N@@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000368592286 499311057 /nfs/dbraw/zinc/31/10/57/499311057.db2.gz KRRCSZDOWMXRDX-IBGZPJMESA-N 2 1 374.529 3.178 20 5 FGBDMP COc1ccc(-c2ccc(C[N@H+]3CCC[C@@H]([C@@H](C)[NH3+])C3)o2)c([N+](=O)[O-])c1 ZINC000414654796 499817288 /nfs/dbraw/zinc/81/72/88/499817288.db2.gz GOSFOALWXYFZHI-ZIAGYGMSSA-N 2 1 359.426 3.423 20 5 FGBDMP C[C@H]1C[C@@H](N(C)Cc2ccc(Br)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000425428623 500103102 /nfs/dbraw/zinc/10/31/02/500103102.db2.gz XJPQQDHIGNVYLE-FZMZJTMJSA-N 2 1 356.264 3.272 20 5 FGBDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000431827372 500429748 /nfs/dbraw/zinc/42/97/48/500429748.db2.gz DVTDBSVFZUWDMC-UHFFFAOYSA-N 2 1 360.502 3.227 20 5 FGBDMP CC[NH+]1CCC(N2CCC[N@H+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)CC1 ZINC000420979205 500546690 /nfs/dbraw/zinc/54/66/90/500546690.db2.gz KAXOEMJANXVRCI-SFHVURJKSA-N 2 1 374.529 3.456 20 5 FGBDMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C[C@@H]21 ZINC000435380293 500963750 /nfs/dbraw/zinc/96/37/50/500963750.db2.gz NDUPTKWQYJCYFA-RRQGHBQHSA-N 2 1 358.467 3.278 20 5 FGBDMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C[C@@H]21 ZINC000435380293 500963751 /nfs/dbraw/zinc/96/37/51/500963751.db2.gz NDUPTKWQYJCYFA-RRQGHBQHSA-N 2 1 358.467 3.278 20 5 FGBDMP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596096025 506255513 /nfs/dbraw/zinc/25/55/13/506255513.db2.gz UEUMGBOAEMGVQJ-DOTOQJQBSA-N 2 1 374.485 3.024 20 5 FGBDMP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)C1CC1 ZINC000482549273 502108078 /nfs/dbraw/zinc/10/80/78/502108078.db2.gz ABJXTBVUTGYLLX-LJQANCHMSA-N 2 1 373.497 3.151 20 5 FGBDMP Cc1c(NC(=O)CC[N@@H+](CCC[NH3+])Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000479768058 502372030 /nfs/dbraw/zinc/37/20/30/502372030.db2.gz CCYMHTMVPYCLSN-UHFFFAOYSA-N 2 1 370.453 3.083 20 5 FGBDMP COc1ccc(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cc1[N+](=O)[O-] ZINC000501083881 502932088 /nfs/dbraw/zinc/93/20/88/502932088.db2.gz VOEBJBREBHQVSF-UHFFFAOYSA-N 2 1 370.453 3.347 20 5 FGBDMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])[C@H](C)C1 ZINC000516193214 503467051 /nfs/dbraw/zinc/46/70/51/503467051.db2.gz IAGJKJVYTLLJGD-AYOQOUSVSA-N 2 1 361.486 3.309 20 5 FGBDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])[C@H](C)C1 ZINC000516193214 503467055 /nfs/dbraw/zinc/46/70/55/503467055.db2.gz IAGJKJVYTLLJGD-AYOQOUSVSA-N 2 1 361.486 3.309 20 5 FGBDMP C[N@H+](CCCC[NH+]1CCCCC1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000603110718 506424224 /nfs/dbraw/zinc/42/42/24/506424224.db2.gz PLICZVMDQRGSJZ-UHFFFAOYSA-N 2 1 363.458 3.159 20 5 FGBDMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000603110718 506424230 /nfs/dbraw/zinc/42/42/30/506424230.db2.gz PLICZVMDQRGSJZ-UHFFFAOYSA-N 2 1 363.458 3.159 20 5 FGBDMP O=[N+]([O-])c1ccccc1C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000595906912 507737525 /nfs/dbraw/zinc/73/75/25/507737525.db2.gz CKCCIBDFLAPKKA-UHFFFAOYSA-N 2 1 369.469 3.165 20 5 FGBDMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000746676717 722614435 /nfs/dbraw/zinc/61/44/35/722614435.db2.gz YGMYJCYKIPBPLE-INIZCTEOSA-N 2 1 355.866 3.181 20 5 FGBDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000746676717 722614436 /nfs/dbraw/zinc/61/44/36/722614436.db2.gz YGMYJCYKIPBPLE-INIZCTEOSA-N 2 1 355.866 3.181 20 5 FGBDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000183676128 496073803 /nfs/dbraw/zinc/07/38/03/496073803.db2.gz QAMMMBBRPWXAHO-JLTOFOAXSA-N 2 1 366.421 3.473 20 5 FGBDMP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000181418434 496386709 /nfs/dbraw/zinc/38/67/09/496386709.db2.gz FQUOTRKVIVCPMB-UFYCRDLUSA-N 2 1 361.486 3.403 20 5 FGBDMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000173335275 496648482 /nfs/dbraw/zinc/64/84/82/496648482.db2.gz OZFVMFCXQRUFDI-QGZVFWFLSA-N 2 1 368.481 3.193 20 5 FGBDMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000182273331 496724658 /nfs/dbraw/zinc/72/46/58/496724658.db2.gz PFVJBDDLJSNCSX-SFTDATJTSA-N 2 1 369.465 3.402 20 5 FGBDMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000248442787 497012752 /nfs/dbraw/zinc/01/27/52/497012752.db2.gz LCHJZWWXZHTJJH-MGPUTAFESA-N 2 1 355.438 3.012 20 5 FGBDMP Cc1c([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000248454082 497018067 /nfs/dbraw/zinc/01/80/67/497018067.db2.gz QVBMEMZSQNZYDP-VQIMIIECSA-N 2 1 369.465 3.321 20 5 FGBDMP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@H]3CCCC[C@H]3O)CC1)CCC2 ZINC000248830303 497112695 /nfs/dbraw/zinc/11/26/95/497112695.db2.gz HGOMYAKGAUKPJL-QHAWAJNXSA-N 2 1 373.497 3.330 20 5 FGBDMP CC(C)[NH+]1CCC([N@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000271045550 497251955 /nfs/dbraw/zinc/25/19/55/497251955.db2.gz QFYDIWKSOCMCEC-UHFFFAOYSA-N 2 1 371.485 3.300 20 5 FGBDMP CC(C)[NH+]1CCC([N@@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000271045550 497251962 /nfs/dbraw/zinc/25/19/62/497251962.db2.gz QFYDIWKSOCMCEC-UHFFFAOYSA-N 2 1 371.485 3.300 20 5 FGBDMP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000275563394 497366079 /nfs/dbraw/zinc/36/60/79/497366079.db2.gz NZTCFFPOCZGOTF-XYJFISCASA-N 2 1 354.454 3.355 20 5 FGBDMP CC[NH+]1CCC(CC[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000272569474 497666544 /nfs/dbraw/zinc/66/65/44/497666544.db2.gz VOKDSWKPUGSOQK-IBGZPJMESA-N 2 1 371.485 3.129 20 5 FGBDMP COc1ccc(-c2ccc(C[N@@H+]3CC[C@@]4(C3)CCC[NH2+]C4)o2)c([N+](=O)[O-])c1 ZINC000572404796 505960721 /nfs/dbraw/zinc/96/07/21/505960721.db2.gz XHTQLFNERWFDII-FQEVSTJZSA-N 2 1 371.437 3.439 20 5 FGBDMP COc1ccc(-c2ccc(C[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)o2)c([N+](=O)[O-])c1 ZINC000572404796 505960726 /nfs/dbraw/zinc/96/07/26/505960726.db2.gz XHTQLFNERWFDII-FQEVSTJZSA-N 2 1 371.437 3.439 20 5 FGBDMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000371158268 499294671 /nfs/dbraw/zinc/29/46/71/499294671.db2.gz RNTAKTDINJZAEU-UHFFFAOYSA-N 2 1 374.529 3.223 20 5 FGBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378506772 499525423 /nfs/dbraw/zinc/52/54/23/499525423.db2.gz JFBJPRGXZLHECG-APWZRJJASA-N 2 1 360.502 3.065 20 5 FGBDMP COc1ccc(C[NH2+]CC2([NH3+])CCC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414874744 499840131 /nfs/dbraw/zinc/84/01/31/499840131.db2.gz IZIGPABMSIHTHN-UHFFFAOYSA-N 2 1 371.437 3.153 20 5 FGBDMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447587672 500630076 /nfs/dbraw/zinc/63/00/76/500630076.db2.gz RRQWULBXEYADCF-KZNAEPCWSA-N 2 1 363.506 3.233 20 5 FGBDMP CC1(C)C[C@@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c2cc([N+](=O)[O-])ccc21 ZINC000433126073 500631551 /nfs/dbraw/zinc/63/15/51/500631551.db2.gz MYAIBKFKCYCTFQ-VQIMIIECSA-N 2 1 361.486 3.144 20 5 FGBDMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000435375130 500962452 /nfs/dbraw/zinc/96/24/52/500962452.db2.gz ZVNPOAVPAGGJOB-AWEZNQCLSA-N 2 1 359.426 3.295 20 5 FGBDMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000435375130 500962455 /nfs/dbraw/zinc/96/24/55/500962455.db2.gz ZVNPOAVPAGGJOB-AWEZNQCLSA-N 2 1 359.426 3.295 20 5 FGBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000541915467 504301068 /nfs/dbraw/zinc/30/10/68/504301068.db2.gz NEVYRDFTGVXIJJ-OXQOHEQNSA-N 2 1 369.465 3.321 20 5 FGBDMP CN1CCC(CNc2c(F)cccc2[N+](=O)[O-])([NH+]2CCCCC2)CC1 ZINC000561208078 505280618 /nfs/dbraw/zinc/28/06/18/505280618.db2.gz MVXVYECLENHGEG-UHFFFAOYSA-N 2 1 350.438 3.096 20 5 FGBDMP CCC[N@H+](CCC[NH+](C)C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000561980565 505484095 /nfs/dbraw/zinc/48/40/95/505484095.db2.gz XSGISQIGYXXTBE-UHFFFAOYSA-N 2 1 359.474 3.159 20 5 FGBDMP CCC[N@@H+](CCC[NH+](C)C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000561980565 505484099 /nfs/dbraw/zinc/48/40/99/505484099.db2.gz XSGISQIGYXXTBE-UHFFFAOYSA-N 2 1 359.474 3.159 20 5 FGBDMP O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000594736831 507261879 /nfs/dbraw/zinc/26/18/79/507261879.db2.gz WOKVWELAMXLBDO-AWEZNQCLSA-N 2 1 369.412 3.408 20 5 FGBDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000809738543 725264078 /nfs/dbraw/zinc/26/40/78/725264078.db2.gz YVQUMTDLBJBISO-KRWDZBQOSA-N 2 1 368.909 3.096 20 5 FGBDMP CC[NH+](CC)C[C@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000072823759 494258232 /nfs/dbraw/zinc/25/82/32/494258232.db2.gz LFTOJVNZTQMSRH-MRXNPFEDSA-N 2 1 372.469 3.456 20 5 FGBDMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000072823759 494258237 /nfs/dbraw/zinc/25/82/37/494258237.db2.gz LFTOJVNZTQMSRH-MRXNPFEDSA-N 2 1 372.469 3.456 20 5 FGBDMP O=[N+]([O-])c1cccc(CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000090910132 494503722 /nfs/dbraw/zinc/50/37/22/494503722.db2.gz YCYGNPVRAAYSGA-UHFFFAOYSA-N 2 1 353.466 3.434 20 5 FGBDMP CCCn1ccnc1CCCN(C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000191492258 496781543 /nfs/dbraw/zinc/78/15/43/496781543.db2.gz NXUVRHFEAAYRDA-UHFFFAOYSA-N 2 1 374.441 3.132 20 5 FGBDMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000279000731 497298174 /nfs/dbraw/zinc/29/81/74/497298174.db2.gz FUTJYGMBEPHYFL-HXUWFJFHSA-N 2 1 374.529 3.325 20 5 FGBDMP Cn1ccnc1[C@@H]([NH2+]CCCCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000293695207 498458135 /nfs/dbraw/zinc/45/81/35/498458135.db2.gz LOFPINPPOKPCGG-IBGZPJMESA-N 2 1 371.485 3.273 20 5 FGBDMP Cc1cc(N2CCC([N@H+](C)Cc3ccc([N+](=O)[O-])c(F)c3)CC2)nc(C)[nH+]1 ZINC000367299586 499176239 /nfs/dbraw/zinc/17/62/39/499176239.db2.gz PTIHAUUDPIBLIP-UHFFFAOYSA-N 2 1 373.432 3.242 20 5 FGBDMP Cc1cc(N2CCC([N@@H+](C)Cc3ccc([N+](=O)[O-])c(F)c3)CC2)nc(C)[nH+]1 ZINC000367299586 499176241 /nfs/dbraw/zinc/17/62/41/499176241.db2.gz PTIHAUUDPIBLIP-UHFFFAOYSA-N 2 1 373.432 3.242 20 5 FGBDMP C[C@H]([NH2+]CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000370660059 499240976 /nfs/dbraw/zinc/24/09/76/499240976.db2.gz IPRTZSZNQZATIU-KRWDZBQOSA-N 3 1 374.529 3.442 20 5 FGBDMP Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000368305092 499283923 /nfs/dbraw/zinc/28/39/23/499283923.db2.gz SLHDULVZBOQQOZ-UHFFFAOYSA-N 3 1 374.529 3.189 20 5 FGBDMP COc1ccc(C[NH2+][C@H](C)[C@@H](C)[NH3+])cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000415018769 499855419 /nfs/dbraw/zinc/85/54/19/499855419.db2.gz RIJXFKREMVFGJB-ZIAGYGMSSA-N 2 1 359.426 3.008 20 5 FGBDMP COc1ccc(-c2ccc(C[N@H+]3CC[C@H](C)[C@@H](C[NH3+])C3)o2)c([N+](=O)[O-])c1 ZINC000415123739 499866733 /nfs/dbraw/zinc/86/67/33/499866733.db2.gz JOOSXNRBHGMQOI-KBPBESRZSA-N 2 1 359.426 3.280 20 5 FGBDMP CC1(C)C[C@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000423509454 500380411 /nfs/dbraw/zinc/38/04/11/500380411.db2.gz MIJVSYLTYNKVLQ-PMTKGXAQSA-N 2 1 372.513 3.123 20 5 FGBDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000449139859 500933041 /nfs/dbraw/zinc/93/30/41/500933041.db2.gz LZBMRKAVFHWFCN-LMMKCTJWSA-N 2 1 363.502 3.252 20 5 FGBDMP CCCC[N@H+](C)CC1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000482682004 502151050 /nfs/dbraw/zinc/15/10/50/502151050.db2.gz IUPHERCDWINKEM-UHFFFAOYSA-N 2 1 359.474 3.415 20 5 FGBDMP CCCC[N@@H+](C)CC1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000482682004 502151052 /nfs/dbraw/zinc/15/10/52/502151052.db2.gz IUPHERCDWINKEM-UHFFFAOYSA-N 2 1 359.474 3.415 20 5 FGBDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000481185682 502777361 /nfs/dbraw/zinc/77/73/61/502777361.db2.gz DWCKFVPCKWPESJ-MJGOQNOKSA-N 2 1 369.465 3.474 20 5 FGBDMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000533447427 503850667 /nfs/dbraw/zinc/85/06/67/503850667.db2.gz YFSPBAHQNRGCDN-HOTGVXAUSA-N 2 1 362.474 3.036 20 5 FGBDMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000533447427 503850674 /nfs/dbraw/zinc/85/06/74/503850674.db2.gz YFSPBAHQNRGCDN-HOTGVXAUSA-N 2 1 362.474 3.036 20 5 FGBDMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000533447427 503850680 /nfs/dbraw/zinc/85/06/80/503850680.db2.gz YFSPBAHQNRGCDN-HOTGVXAUSA-N 2 1 362.474 3.036 20 5 FGBDMP C[C@@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000531703133 504396762 /nfs/dbraw/zinc/39/67/62/504396762.db2.gz JCFYIIUCNXJRCY-DYESRHJHSA-N 2 1 368.481 3.234 20 5 FGBDMP O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)o2)c1 ZINC000521442399 504738691 /nfs/dbraw/zinc/73/86/91/504738691.db2.gz DAFYMHVGTAURFJ-DLBZAZTESA-N 2 1 370.453 3.114 20 5 FGBDMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000555340335 505412786 /nfs/dbraw/zinc/41/27/86/505412786.db2.gz YARWFIAWYILHTF-UHFFFAOYSA-N 2 1 351.410 3.158 20 5 FGBDMP C[N@@H+]1CCC[C@@H]1CC[NH+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592133044 507498737 /nfs/dbraw/zinc/49/87/37/507498737.db2.gz RUZUPQOSOWYIIL-GUDVDZBRSA-N 2 1 361.486 3.185 20 5 FGBDMP C[N@H+]1CCC[C@@H]1CC[NH+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592133044 507498741 /nfs/dbraw/zinc/49/87/41/507498741.db2.gz RUZUPQOSOWYIIL-GUDVDZBRSA-N 2 1 361.486 3.185 20 5 FGBDMP C[NH+]1CCC[C@@H]1CC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592133044 507498744 /nfs/dbraw/zinc/49/87/44/507498744.db2.gz RUZUPQOSOWYIIL-GUDVDZBRSA-N 2 1 361.486 3.185 20 5 FGBDMP C[NH+]1CCC[C@@H]1CC[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592133044 507498747 /nfs/dbraw/zinc/49/87/47/507498747.db2.gz RUZUPQOSOWYIIL-GUDVDZBRSA-N 2 1 361.486 3.185 20 5 FGBDMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000844910018 730788266 /nfs/dbraw/zinc/78/82/66/730788266.db2.gz GCBIAPSIIHMRFJ-COXVUDFISA-N 2 1 353.850 3.109 20 5 FGBDMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000844910018 730788269 /nfs/dbraw/zinc/78/82/69/730788269.db2.gz GCBIAPSIIHMRFJ-COXVUDFISA-N 2 1 353.850 3.109 20 5 FGBDMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)CC1 ZINC000579969881 505654665 /nfs/dbraw/zinc/65/46/65/505654665.db2.gz SDUYQEJOCNFYCQ-UHFFFAOYSA-N 2 1 374.485 3.038 20 5 FGBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000173638302 495626608 /nfs/dbraw/zinc/62/66/08/495626608.db2.gz RVBHAIMMQNKGAN-MRXNPFEDSA-N 2 1 362.474 3.038 20 5 FGBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000173638302 495626616 /nfs/dbraw/zinc/62/66/16/495626616.db2.gz RVBHAIMMQNKGAN-MRXNPFEDSA-N 2 1 362.474 3.038 20 5 FGBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000173638302 495626621 /nfs/dbraw/zinc/62/66/21/495626621.db2.gz RVBHAIMMQNKGAN-MRXNPFEDSA-N 2 1 362.474 3.038 20 5 FGBDMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000248460115 497018771 /nfs/dbraw/zinc/01/87/71/497018771.db2.gz WFQNRNYCYHKWIJ-IERDGZPVSA-N 2 1 369.465 3.402 20 5 FGBDMP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@@H]3CCCC[C@@H]3O)CC1)CCC2 ZINC000193028341 497279774 /nfs/dbraw/zinc/27/97/74/497279774.db2.gz HGOMYAKGAUKPJL-NJYVYQBISA-N 2 1 373.497 3.330 20 5 FGBDMP C[N@H+](CCC[NH+]1CCCC1)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000281453586 498156845 /nfs/dbraw/zinc/15/68/45/498156845.db2.gz UTXZJMVYLFMLKC-UHFFFAOYSA-N 2 1 358.442 3.210 20 5 FGBDMP C[N@@H+](CCC[NH+]1CCCC1)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000281453586 498156852 /nfs/dbraw/zinc/15/68/52/498156852.db2.gz UTXZJMVYLFMLKC-UHFFFAOYSA-N 2 1 358.442 3.210 20 5 FGBDMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000283001972 498741388 /nfs/dbraw/zinc/74/13/88/498741388.db2.gz FQRNAYRMVBKTGS-UHFFFAOYSA-N 2 1 367.247 3.384 20 5 FGBDMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000283001972 498741391 /nfs/dbraw/zinc/74/13/91/498741391.db2.gz FQRNAYRMVBKTGS-UHFFFAOYSA-N 2 1 367.247 3.384 20 5 FGBDMP C[C@@H]([NH2+]CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000372056670 499394052 /nfs/dbraw/zinc/39/40/52/499394052.db2.gz UEOBTHXKCWYUIW-QGZVFWFLSA-N 3 1 374.529 3.442 20 5 FGBDMP C[C@H](NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000423579150 500386412 /nfs/dbraw/zinc/38/64/12/500386412.db2.gz VUINHNYLPNROIV-KRWDZBQOSA-N 2 1 368.481 3.239 20 5 FGBDMP [NH3+]C[C@@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1CCCCC1 ZINC000420359120 500446985 /nfs/dbraw/zinc/44/69/85/500446985.db2.gz FZASNTKPARGMQS-QGZVFWFLSA-N 2 1 358.442 3.290 20 5 FGBDMP C[C@@H]1C[N@@H+](CCCNCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCCO1 ZINC000432362804 500504735 /nfs/dbraw/zinc/50/47/35/500504735.db2.gz PETCAIPXFIFOJE-MRXNPFEDSA-N 2 1 373.453 3.445 20 5 FGBDMP C[C@@H]1CN(CCC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCCO1 ZINC000432362804 500504739 /nfs/dbraw/zinc/50/47/39/500504739.db2.gz PETCAIPXFIFOJE-MRXNPFEDSA-N 2 1 373.453 3.445 20 5 FGBDMP O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)c1 ZINC000503374280 503397030 /nfs/dbraw/zinc/39/70/30/503397030.db2.gz JRFALIQREMLQAO-MRXNPFEDSA-N 2 1 370.453 3.386 20 5 FGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000540158708 503692968 /nfs/dbraw/zinc/69/29/68/503692968.db2.gz XCTUNJUOJKIBDU-RYGJVYDSSA-N 2 1 361.486 3.322 20 5 FGBDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000589196644 506480082 /nfs/dbraw/zinc/48/00/82/506480082.db2.gz PVJCHLNNLDIGNF-QGZVFWFLSA-N 2 1 368.909 3.096 20 5 FGBDMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000595065315 507375025 /nfs/dbraw/zinc/37/50/25/507375025.db2.gz AACYOYWIKRVWKM-QRWLVFNGSA-N 2 1 355.438 3.012 20 5 FGBDMP Cc1ccc([C@H](C)NC[C@H](O)C[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000611404310 507664532 /nfs/dbraw/zinc/66/45/32/507664532.db2.gz GJTXKVPSVVEKBJ-LPHOPBHVSA-N 2 1 357.454 3.047 20 5 FGBDMP Cc1ccc([C@H](C)[NH2+]C[C@H](O)CN(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000611404310 507664536 /nfs/dbraw/zinc/66/45/36/507664536.db2.gz GJTXKVPSVVEKBJ-LPHOPBHVSA-N 2 1 357.454 3.047 20 5 FGBDMP O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843125253 730588247 /nfs/dbraw/zinc/58/82/47/730588247.db2.gz PIXDLKSWWRQRRF-CHWSQXEVSA-N 2 1 368.275 3.179 20 5 FGBDMP O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)ccc1Br ZINC000843125844 730589047 /nfs/dbraw/zinc/58/90/47/730589047.db2.gz JJPHSCAFPJSBPT-ZIAGYGMSSA-N 2 1 368.275 3.179 20 5 FGBDMP COc1c(O)ccc(C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000892584005 740019981 /nfs/dbraw/zinc/01/99/81/740019981.db2.gz GIKBUAOIHCYURQ-CQSZACIVSA-N 2 1 351.447 3.053 20 5 FGBDMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000126731388 494828255 /nfs/dbraw/zinc/82/82/55/494828255.db2.gz HXMHZRDYEAOQHV-QGZVFWFLSA-N 2 1 368.481 3.193 20 5 FGBDMP CCC[NH+]1CCC([N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000109787371 494917731 /nfs/dbraw/zinc/91/77/31/494917731.db2.gz DRIGONHKMJHKFP-UHFFFAOYSA-N 2 1 362.474 3.038 20 5 FGBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185712597 495693144 /nfs/dbraw/zinc/69/31/44/495693144.db2.gz GIBKEUCVJZWGMO-HZPDHXFCSA-N 2 1 374.485 3.084 20 5 FGBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185712597 495693148 /nfs/dbraw/zinc/69/31/48/495693148.db2.gz GIBKEUCVJZWGMO-HZPDHXFCSA-N 2 1 374.485 3.084 20 5 FGBDMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000182264704 496723531 /nfs/dbraw/zinc/72/35/31/496723531.db2.gz AADGBAVSVWBNJR-YWZLYKJASA-N 2 1 355.438 3.012 20 5 FGBDMP COc1ccc(-c2ccc(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)o2)c([N+](=O)[O-])c1 ZINC000574917097 505882726 /nfs/dbraw/zinc/88/27/26/505882726.db2.gz RJULFRLOOMGIKV-VHSSKADRSA-N 2 1 371.437 3.423 20 5 FGBDMP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+]Cc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000237623726 497264611 /nfs/dbraw/zinc/26/46/11/497264611.db2.gz OBKVFVANFJWBFG-CALCHBBNSA-N 2 1 369.465 3.494 20 5 FGBDMP CCOc1cc(C[N@H+]2CCC[C@@H](Cc3nccn3C)C2)ccc1[N+](=O)[O-] ZINC000365190719 498343781 /nfs/dbraw/zinc/34/37/81/498343781.db2.gz IOMWSVWLIHSOER-HNNXBMFYSA-N 2 1 358.442 3.182 20 5 FGBDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000373459041 499471124 /nfs/dbraw/zinc/47/11/24/499471124.db2.gz JTPGVIKUXZFLQX-MAODMQOUSA-N 2 1 369.465 3.128 20 5 FGBDMP COc1ccc(C[NH2+]C[C@@H]([NH3+])C2CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414885270 499841200 /nfs/dbraw/zinc/84/12/00/499841200.db2.gz GIGQGGIDOYZUHZ-GOSISDBHSA-N 2 1 371.437 3.009 20 5 FGBDMP CC[C@@H]([NH3+])C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000414983232 499851633 /nfs/dbraw/zinc/85/16/33/499851633.db2.gz SVCQDGSJXXNTJK-QGZVFWFLSA-N 2 1 365.437 3.274 20 5 FGBDMP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C[C@@H]3CCOC3)CC1)CCCC2 ZINC000417313192 500037296 /nfs/dbraw/zinc/03/72/96/500037296.db2.gz OYWAMUCDUHJLFK-KKSFZXQISA-N 2 1 373.497 3.453 20 5 FGBDMP COCCC[NH+]1CCC([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000433167921 500638336 /nfs/dbraw/zinc/63/83/36/500638336.db2.gz KKILVTDFEZRYTN-IBGZPJMESA-N 2 1 361.486 3.408 20 5 FGBDMP O=[N+]([O-])c1ccc(CC[N@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000435687245 501012227 /nfs/dbraw/zinc/01/22/27/501012227.db2.gz CWWRDDHHMUEBLE-QGZVFWFLSA-N 2 1 372.494 3.238 20 5 FGBDMP O=[N+]([O-])c1ccc(CC[N@@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000435687245 501012230 /nfs/dbraw/zinc/01/22/30/501012230.db2.gz CWWRDDHHMUEBLE-QGZVFWFLSA-N 2 1 372.494 3.238 20 5 FGBDMP Cc1ncsc1C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@@H]1CC[NH2+]C1 ZINC000435729430 501018753 /nfs/dbraw/zinc/01/87/53/501018753.db2.gz AOTXVRMZGFQMTI-MRXNPFEDSA-N 2 1 360.483 3.014 20 5 FGBDMP Cc1ncsc1C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@@H]1CC[NH2+]C1 ZINC000435729430 501018756 /nfs/dbraw/zinc/01/87/56/501018756.db2.gz AOTXVRMZGFQMTI-MRXNPFEDSA-N 2 1 360.483 3.014 20 5 FGBDMP C[N@@H+](CCCC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)C1CC1 ZINC000602689964 506262387 /nfs/dbraw/zinc/26/23/87/506262387.db2.gz ZUOQOOVNCJYIJO-UHFFFAOYSA-N 2 1 362.293 3.383 20 5 FGBDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000470178791 502697231 /nfs/dbraw/zinc/69/72/31/502697231.db2.gz NZOTXYWCBKROGW-QUHSPFQSSA-N 2 1 361.486 3.431 20 5 FGBDMP Cc1cc(N2CC[NH+](Cc3ccco3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000541174333 504031324 /nfs/dbraw/zinc/03/13/24/504031324.db2.gz ABBWUMFVMMVCRR-UHFFFAOYSA-N 2 1 352.394 3.367 20 5 FGBDMP C[C@H]1CCC[N@@H+](CCCC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000583019893 506544056 /nfs/dbraw/zinc/54/40/56/506544056.db2.gz QEWCYNFSHXXCKQ-INIZCTEOSA-N 2 1 362.474 3.025 20 5 FGBDMP Cc1ccc([C@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1[N+](=O)[O-] ZINC000595068553 507377993 /nfs/dbraw/zinc/37/79/93/507377993.db2.gz JAYYBAXXSDXJEY-OXJNMPFZSA-N 2 1 369.465 3.321 20 5 FGBDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000093638648 494905073 /nfs/dbraw/zinc/90/50/73/494905073.db2.gz QIFVMJQFLGRGLD-BEFAXECRSA-N 2 1 371.485 3.157 20 5 FGBDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000093638648 494905078 /nfs/dbraw/zinc/90/50/78/494905078.db2.gz QIFVMJQFLGRGLD-BEFAXECRSA-N 2 1 371.485 3.157 20 5 FGBDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000093638648 494905085 /nfs/dbraw/zinc/90/50/85/494905085.db2.gz QIFVMJQFLGRGLD-BEFAXECRSA-N 2 1 371.485 3.157 20 5 FGBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000109893315 494930412 /nfs/dbraw/zinc/93/04/12/494930412.db2.gz XORRLSWLQMDYBA-UHFFFAOYSA-N 2 1 362.474 3.036 20 5 FGBDMP O=[N+]([O-])c1cccc(Cl)c1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000119265235 495130252 /nfs/dbraw/zinc/13/02/52/495130252.db2.gz JDHUCVCKDURQLS-UHFFFAOYSA-N 2 1 367.877 3.325 20 5 FGBDMP C[C@@H]1C[C@@H]([NH+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC[N@@H+]1C ZINC000123922560 495207431 /nfs/dbraw/zinc/20/74/31/495207431.db2.gz SALLDUSPIHDWCV-ZBFHGGJFSA-N 2 1 358.442 3.207 20 5 FGBDMP C[C@@H]1C[C@@H]([NH+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC[N@H+]1C ZINC000123922560 495207439 /nfs/dbraw/zinc/20/74/39/495207439.db2.gz SALLDUSPIHDWCV-ZBFHGGJFSA-N 2 1 358.442 3.207 20 5 FGBDMP C[C@@H]1C[C@@H]([N@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC[NH+]1C ZINC000123922560 495207441 /nfs/dbraw/zinc/20/74/41/495207441.db2.gz SALLDUSPIHDWCV-ZBFHGGJFSA-N 2 1 358.442 3.207 20 5 FGBDMP C[C@@H]1C[C@@H]([N@@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC[NH+]1C ZINC000123922560 495207445 /nfs/dbraw/zinc/20/74/45/495207445.db2.gz SALLDUSPIHDWCV-ZBFHGGJFSA-N 2 1 358.442 3.207 20 5 FGBDMP C[N@H+]1CCC[C@@H]2C[NH+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CC[C@@H]21 ZINC000139837792 495484435 /nfs/dbraw/zinc/48/44/35/495484435.db2.gz DVULARUEPARHST-AEFFLSMTSA-N 2 1 370.453 3.208 20 5 FGBDMP C[NH+]1CCC[C@@H]2C[N@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CC[C@@H]21 ZINC000139837792 495484436 /nfs/dbraw/zinc/48/44/36/495484436.db2.gz DVULARUEPARHST-AEFFLSMTSA-N 2 1 370.453 3.208 20 5 FGBDMP C[NH+]1CCC[C@@H]2C[N@@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CC[C@@H]21 ZINC000139837792 495484439 /nfs/dbraw/zinc/48/44/39/495484439.db2.gz DVULARUEPARHST-AEFFLSMTSA-N 2 1 370.453 3.208 20 5 FGBDMP C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C[C@@H]1CCC[NH+](C)C1 ZINC000152336550 496121044 /nfs/dbraw/zinc/12/10/44/496121044.db2.gz ALENCDRBJRFRSM-OAHLLOKOSA-N 2 1 358.442 3.066 20 5 FGBDMP C[NH+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C[C@@H]1CCC[N@H+](C)C1 ZINC000152336550 496121050 /nfs/dbraw/zinc/12/10/50/496121050.db2.gz ALENCDRBJRFRSM-OAHLLOKOSA-N 2 1 358.442 3.066 20 5 FGBDMP C[NH+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152336550 496121055 /nfs/dbraw/zinc/12/10/55/496121055.db2.gz ALENCDRBJRFRSM-OAHLLOKOSA-N 2 1 358.442 3.066 20 5 FGBDMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000173335264 496648618 /nfs/dbraw/zinc/64/86/18/496648618.db2.gz OZFVMFCXQRUFDI-KRWDZBQOSA-N 2 1 368.481 3.193 20 5 FGBDMP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000275563380 497365889 /nfs/dbraw/zinc/36/58/89/497365889.db2.gz NZTCFFPOCZGOTF-RYRKJORJSA-N 2 1 354.454 3.355 20 5 FGBDMP CC[NH+]1CCC(CC[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000569497802 505949026 /nfs/dbraw/zinc/94/90/26/505949026.db2.gz ZXPSBEJECCJLRV-IBGZPJMESA-N 2 1 371.485 3.129 20 5 FGBDMP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000372045500 499392623 /nfs/dbraw/zinc/39/26/23/499392623.db2.gz DGFWTSWHXDASDF-ITQYTPKQSA-N 2 1 361.486 3.443 20 5 FGBDMP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000372045500 499392625 /nfs/dbraw/zinc/39/26/25/499392625.db2.gz DGFWTSWHXDASDF-ITQYTPKQSA-N 2 1 361.486 3.443 20 5 FGBDMP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000372045504 499392748 /nfs/dbraw/zinc/39/27/48/499392748.db2.gz DGFWTSWHXDASDF-PCODUJHASA-N 2 1 361.486 3.443 20 5 FGBDMP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000372045504 499392749 /nfs/dbraw/zinc/39/27/49/499392749.db2.gz DGFWTSWHXDASDF-PCODUJHASA-N 2 1 361.486 3.443 20 5 FGBDMP CC(C)([NH3+])C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000414807490 499833227 /nfs/dbraw/zinc/83/32/27/499833227.db2.gz RJHKDVIFGZDKGD-UHFFFAOYSA-N 2 1 365.437 3.274 20 5 FGBDMP COc1ccc(-c2ccc(C[NH2+][C@H](C)[C@@H]3CCC[NH2+]C3)o2)c([N+](=O)[O-])c1 ZINC000414853048 499838189 /nfs/dbraw/zinc/83/81/89/499838189.db2.gz KOFULAHFGNBZLA-ZIAGYGMSSA-N 2 1 359.426 3.341 20 5 FGBDMP COc1cc(C[NH2+]CC2([NH3+])CCC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414881657 499840967 /nfs/dbraw/zinc/84/09/67/499840967.db2.gz SLKKPPBXMJLEDM-UHFFFAOYSA-N 2 1 371.437 3.153 20 5 FGBDMP Cc1ncc([N+](=O)[O-])n1CC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000602782202 506296523 /nfs/dbraw/zinc/29/65/23/506296523.db2.gz VYBIZPYXHPNZCG-APWZRJJASA-N 2 1 371.485 3.085 20 5 FGBDMP Cc1ncc([N+](=O)[O-])n1CC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000602782202 506296530 /nfs/dbraw/zinc/29/65/30/506296530.db2.gz VYBIZPYXHPNZCG-APWZRJJASA-N 2 1 371.485 3.085 20 5 FGBDMP Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000602782202 506296534 /nfs/dbraw/zinc/29/65/34/506296534.db2.gz VYBIZPYXHPNZCG-APWZRJJASA-N 2 1 371.485 3.085 20 5 FGBDMP Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000602782202 506296543 /nfs/dbraw/zinc/29/65/43/506296543.db2.gz VYBIZPYXHPNZCG-APWZRJJASA-N 2 1 371.485 3.085 20 5 FGBDMP COc1c[nH+]ccc1N1CC[NH+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000475630063 502236802 /nfs/dbraw/zinc/23/68/02/502236802.db2.gz XOMYZXYIZQIFLG-FOWTUZBSSA-N 2 1 368.437 3.224 20 5 FGBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000470169036 502691097 /nfs/dbraw/zinc/69/10/97/502691097.db2.gz AYERPVOZZZENBX-ICSUQXKKSA-N 2 1 359.470 3.182 20 5 FGBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000470169036 502691099 /nfs/dbraw/zinc/69/10/99/502691099.db2.gz AYERPVOZZZENBX-ICSUQXKKSA-N 2 1 359.470 3.182 20 5 FGBDMP C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501067302 502926442 /nfs/dbraw/zinc/92/64/42/502926442.db2.gz HXHQNSPSZCVXQP-UHFFFAOYSA-N 2 1 358.417 3.477 20 5 FGBDMP CC1CC[NH+](C[C@H]2CCC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000498910226 503290183 /nfs/dbraw/zinc/29/01/83/503290183.db2.gz YUTUSVQLTABBQW-SFHVURJKSA-N 2 1 361.486 3.418 20 5 FGBDMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000498910226 503290187 /nfs/dbraw/zinc/29/01/87/503290187.db2.gz YUTUSVQLTABBQW-SFHVURJKSA-N 2 1 361.486 3.418 20 5 FGBDMP C[N@@H+](CCC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000548826293 504581137 /nfs/dbraw/zinc/58/11/37/504581137.db2.gz WQWLDCCJMLMILI-UHFFFAOYSA-N 2 1 362.474 3.168 20 5 FGBDMP CC(C)c1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1[N+](=O)[O-] ZINC000593314321 506533179 /nfs/dbraw/zinc/53/31/79/506533179.db2.gz CGFUATOOQSXZKW-QKLQHJQFSA-N 2 1 361.486 3.437 20 5 FGBDMP COc1ccc(-c2ccc(C[NH2+]CCn3cc[nH+]c3C)o2)c([N+](=O)[O-])c1 ZINC000608836869 506721872 /nfs/dbraw/zinc/72/18/72/506721872.db2.gz MEXUUHQGSIVELA-UHFFFAOYSA-N 2 1 356.382 3.158 20 5 FGBDMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000844910847 730788358 /nfs/dbraw/zinc/78/83/58/730788358.db2.gz KJBPPLCRANKTQF-COXVUDFISA-N 2 1 353.850 3.109 20 5 FGBDMP C[NH+](C)CCCC1CC[NH+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000123114714 495082468 /nfs/dbraw/zinc/08/24/68/495082468.db2.gz LOJIKAYQIRQNPA-UHFFFAOYSA-N 2 1 373.457 3.199 20 5 FGBDMP Cn1ccnc1[C@H]([NH2+]CCCCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000293695210 498457883 /nfs/dbraw/zinc/45/78/83/498457883.db2.gz LOFPINPPOKPCGG-LJQANCHMSA-N 2 1 371.485 3.273 20 5 FGBDMP Cc1ccc([C@H](C)[NH2+]Cc2ccncc2OCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000576069270 506068950 /nfs/dbraw/zinc/06/89/50/506068950.db2.gz HAQBHAXVDMHGJD-HNNXBMFYSA-N 2 1 358.442 3.089 20 5 FGBDMP COc1cc(C[NH2+][C@H](C)[C@H](C)[NH3+])ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000415014669 499855096 /nfs/dbraw/zinc/85/50/96/499855096.db2.gz MCLAMRZLTXZJHZ-UONOGXRCSA-N 2 1 359.426 3.008 20 5 FGBDMP COc1cc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000415014668 499855186 /nfs/dbraw/zinc/85/51/86/499855186.db2.gz MCLAMRZLTXZJHZ-KGLIPLIRSA-N 2 1 359.426 3.008 20 5 FGBDMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC12CCOCC2 ZINC000570718714 506215077 /nfs/dbraw/zinc/21/50/77/506215077.db2.gz ABGNJSSXSORMRY-MRXNPFEDSA-N 2 1 371.437 3.042 20 5 FGBDMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000482131827 501984722 /nfs/dbraw/zinc/98/47/22/501984722.db2.gz GTDFLSDEHCIHGR-CVEARBPZSA-N 2 1 362.474 3.024 20 5 FGBDMP C[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000531932125 504479011 /nfs/dbraw/zinc/47/90/11/504479011.db2.gz RUBIGHONEPFLSQ-CRAIPNDOSA-N 2 1 374.510 3.296 20 5 FGBDMP C[N@@H+]1CC[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccccc1 ZINC000550699237 505086573 /nfs/dbraw/zinc/08/65/73/505086573.db2.gz GBPDUBNVUIRNHS-XLIONFOSSA-N 2 1 355.438 3.399 20 5 FGBDMP C[N@H+]1CC[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccccc1 ZINC000550699237 505086576 /nfs/dbraw/zinc/08/65/76/505086576.db2.gz GBPDUBNVUIRNHS-XLIONFOSSA-N 2 1 355.438 3.399 20 5 FGBDMP Cn1ccnc1[C@@H](NCC[N@@H+](C)C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000560527798 505115674 /nfs/dbraw/zinc/11/56/74/505115674.db2.gz BUMILAWPSMHYKJ-IBGZPJMESA-N 2 1 371.485 3.272 20 5 FGBDMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000566718442 505252465 /nfs/dbraw/zinc/25/24/65/505252465.db2.gz ISTQFLHEYNARSF-ZACQAIPSSA-N 2 1 363.506 3.375 20 5 FGBDMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000566718442 505252468 /nfs/dbraw/zinc/25/24/68/505252468.db2.gz ISTQFLHEYNARSF-ZACQAIPSSA-N 2 1 363.506 3.375 20 5 FGBDMP Cc1c([C@@H](C)[NH2+]Cc2ccncc2OCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000567513761 505485489 /nfs/dbraw/zinc/48/54/89/505485489.db2.gz JYLADODXGLVAOQ-OAHLLOKOSA-N 2 1 358.442 3.089 20 5 FGBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000589195965 506479804 /nfs/dbraw/zinc/47/98/04/506479804.db2.gz QSSGSIGEIMIGHU-RYEVTAHJSA-N 2 1 372.513 3.098 20 5 FGBDMP Cc1ccc([C@@H](C)NC[C@@H](O)C[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000611404312 507664702 /nfs/dbraw/zinc/66/47/02/507664702.db2.gz GJTXKVPSVVEKBJ-VQIMIIECSA-N 2 1 357.454 3.047 20 5 FGBDMP Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)CN(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000611404312 507664707 /nfs/dbraw/zinc/66/47/07/507664707.db2.gz GJTXKVPSVVEKBJ-VQIMIIECSA-N 2 1 357.454 3.047 20 5 FGBDMP CCC[NH+]1CCC(C[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000611560611 507739447 /nfs/dbraw/zinc/73/94/47/507739447.db2.gz CDRLIRCBRVQYPX-LJQANCHMSA-N 2 1 371.485 3.129 20 5 FGBDMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000768548878 723661555 /nfs/dbraw/zinc/66/15/55/723661555.db2.gz ITCIOCYFGZTTRP-OAHLLOKOSA-N 2 1 355.866 3.181 20 5 FGBDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000768548878 723661556 /nfs/dbraw/zinc/66/15/56/723661556.db2.gz ITCIOCYFGZTTRP-OAHLLOKOSA-N 2 1 355.866 3.181 20 5 FGBDMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)C2)CC1 ZINC000568118976 505621379 /nfs/dbraw/zinc/62/13/79/505621379.db2.gz VPYWPGQGSSRTIW-AWEZNQCLSA-N 2 1 369.412 3.360 20 5 FGBDMP C[NH+](C)CCCC1CC[NH+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000123246572 495102514 /nfs/dbraw/zinc/10/25/14/495102514.db2.gz XDNJYFAXYCTSEB-UHFFFAOYSA-N 2 1 373.457 3.199 20 5 FGBDMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000102423178 495136516 /nfs/dbraw/zinc/13/65/16/495136516.db2.gz NXPQCTFWEQBPFY-AWEZNQCLSA-N 2 1 359.426 3.295 20 5 FGBDMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000102423178 495136518 /nfs/dbraw/zinc/13/65/18/495136518.db2.gz NXPQCTFWEQBPFY-AWEZNQCLSA-N 2 1 359.426 3.295 20 5 FGBDMP O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134923660 495223608 /nfs/dbraw/zinc/22/36/08/495223608.db2.gz WUSNWOUAVBRQET-OXQOHEQNSA-N 2 1 359.470 3.312 20 5 FGBDMP O=[N+]([O-])c1ccc(OCCC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134923660 495223610 /nfs/dbraw/zinc/22/36/10/495223610.db2.gz WUSNWOUAVBRQET-OXQOHEQNSA-N 2 1 359.470 3.312 20 5 FGBDMP O=[N+]([O-])c1ccc(OCCC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134923660 495223612 /nfs/dbraw/zinc/22/36/12/495223612.db2.gz WUSNWOUAVBRQET-OXQOHEQNSA-N 2 1 359.470 3.312 20 5 FGBDMP O=[N+]([O-])c1ccc(OCCC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134923660 495223614 /nfs/dbraw/zinc/22/36/14/495223614.db2.gz WUSNWOUAVBRQET-OXQOHEQNSA-N 2 1 359.470 3.312 20 5 FGBDMP C[N@H+]1CCC[C@H]2C[NH+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CC[C@@H]21 ZINC000139837659 495484511 /nfs/dbraw/zinc/48/45/11/495484511.db2.gz DVULARUEPARHST-WMZOPIPTSA-N 2 1 370.453 3.208 20 5 FGBDMP C[NH+]1CCC[C@H]2C[N@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CC[C@@H]21 ZINC000139837659 495484513 /nfs/dbraw/zinc/48/45/13/495484513.db2.gz DVULARUEPARHST-WMZOPIPTSA-N 2 1 370.453 3.208 20 5 FGBDMP C[NH+]1CCC[C@H]2C[N@@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CC[C@@H]21 ZINC000139837659 495484516 /nfs/dbraw/zinc/48/45/16/495484516.db2.gz DVULARUEPARHST-WMZOPIPTSA-N 2 1 370.453 3.208 20 5 FGBDMP Cc1c(NC(=O)[C@@H](C)[NH+]2CCC(C[NH+]3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000171387650 495851262 /nfs/dbraw/zinc/85/12/62/495851262.db2.gz XEOLALCGWSANHM-MRXNPFEDSA-N 2 1 374.485 3.038 20 5 FGBDMP Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000182261444 496722191 /nfs/dbraw/zinc/72/21/91/496722191.db2.gz UFDKXRBPICRMSF-UZLBHIALSA-N 2 1 369.465 3.321 20 5 FGBDMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000248427230 497007652 /nfs/dbraw/zinc/00/76/52/497007652.db2.gz AADGBAVSVWBNJR-MGPUTAFESA-N 2 1 355.438 3.012 20 5 FGBDMP COc1ccc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000192919710 497246107 /nfs/dbraw/zinc/24/61/07/497246107.db2.gz XNYRXEDNUHQCKG-GOSISDBHSA-N 2 1 355.438 3.215 20 5 FGBDMP COc1ccc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000192919710 497246113 /nfs/dbraw/zinc/24/61/13/497246113.db2.gz XNYRXEDNUHQCKG-GOSISDBHSA-N 2 1 355.438 3.215 20 5 FGBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000572678001 506027185 /nfs/dbraw/zinc/02/71/85/506027185.db2.gz DYUHEEKHGWMIDU-OAHLLOKOSA-N 2 1 358.442 3.089 20 5 FGBDMP CCN1CCC([N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C2CC2)CC1 ZINC000363148084 498674371 /nfs/dbraw/zinc/67/43/71/498674371.db2.gz FODNMNICXCLFKG-UHFFFAOYSA-N 2 1 374.485 3.181 20 5 FGBDMP CC[NH+]1CCC([N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C2CC2)CC1 ZINC000363148084 498674375 /nfs/dbraw/zinc/67/43/75/498674375.db2.gz FODNMNICXCLFKG-UHFFFAOYSA-N 2 1 374.485 3.181 20 5 FGBDMP CC[NH+]1CCC([N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C2CC2)CC1 ZINC000363148084 498674378 /nfs/dbraw/zinc/67/43/78/498674378.db2.gz FODNMNICXCLFKG-UHFFFAOYSA-N 2 1 374.485 3.181 20 5 FGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000332395922 498674987 /nfs/dbraw/zinc/67/49/87/498674987.db2.gz PBYKCQGHQMFSHR-SFHVURJKSA-N 2 1 374.529 3.455 20 5 FGBDMP CC[N@@H+]1CCC[C@@H](CN(C)Cc2cccc([N+](=O)[O-])c2)[C@@H]1c1cnn(C)c1 ZINC000372515955 499137263 /nfs/dbraw/zinc/13/72/63/499137263.db2.gz IOWAREKBZBEZOI-FXAWDEMLSA-N 2 1 371.485 3.233 20 5 FGBDMP CC[N@H+]1CCC[C@@H](CN(C)Cc2cccc([N+](=O)[O-])c2)[C@@H]1c1cnn(C)c1 ZINC000372515955 499137265 /nfs/dbraw/zinc/13/72/65/499137265.db2.gz IOWAREKBZBEZOI-FXAWDEMLSA-N 2 1 371.485 3.233 20 5 FGBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000368593584 499311670 /nfs/dbraw/zinc/31/16/70/499311670.db2.gz UAERHHSYJGAGAK-MJGOQNOKSA-N 2 1 360.502 3.065 20 5 FGBDMP O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414784563 499831194 /nfs/dbraw/zinc/83/11/94/499831194.db2.gz RLALXGZVHDMBDY-STQMWFEESA-N 2 1 355.385 3.018 20 5 FGBDMP C[NH2+]CCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000414857461 499838506 /nfs/dbraw/zinc/83/85/06/499838506.db2.gz DMWDGOVHTPJBLQ-UHFFFAOYSA-N 2 1 368.231 3.316 20 5 FGBDMP COc1cc(C[NH2+]C[C@H]([NH3+])C2CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414887857 499841796 /nfs/dbraw/zinc/84/17/96/499841796.db2.gz JDLKFTXWXDBLDG-SFHVURJKSA-N 2 1 371.437 3.009 20 5 FGBDMP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414888053 499841990 /nfs/dbraw/zinc/84/19/90/499841990.db2.gz XONMABUGDUILPV-ICSRJNTNSA-N 2 1 368.481 3.471 20 5 FGBDMP CC[NH+]1CCC(N2CCC[N@H+]([C@H](C)c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000420976257 500545579 /nfs/dbraw/zinc/54/55/79/500545579.db2.gz GOVZYALHHUJNQI-QGZVFWFLSA-N 2 1 360.502 3.148 20 5 FGBDMP Cc1cc(N2CCC([N@H+]3CCCOCC3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000596269383 506335507 /nfs/dbraw/zinc/33/55/07/506335507.db2.gz SMIPTLALAYDHPY-UHFFFAOYSA-N 2 1 370.453 3.143 20 5 FGBDMP Cn1cc(C[N@@H+](CCC[NH3+])CC2CCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000489978300 503080955 /nfs/dbraw/zinc/08/09/55/503080955.db2.gz MMGBUAJCVKSPNN-UHFFFAOYSA-N 2 1 371.485 3.336 20 5 FGBDMP COc1ccc(-c2ccc(C[N@@H+]3CCC[C@@]4(CC[NH2+]C4)C3)o2)c([N+](=O)[O-])c1 ZINC000489985910 503082826 /nfs/dbraw/zinc/08/28/26/503082826.db2.gz DACWTPSLBJYLRN-FQEVSTJZSA-N 2 1 371.437 3.439 20 5 FGBDMP COc1ccc(-c2ccc(C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)o2)c([N+](=O)[O-])c1 ZINC000489985910 503082828 /nfs/dbraw/zinc/08/28/28/503082828.db2.gz DACWTPSLBJYLRN-FQEVSTJZSA-N 2 1 371.437 3.439 20 5 FGBDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000589196640 506479913 /nfs/dbraw/zinc/47/99/13/506479913.db2.gz PVJCHLNNLDIGNF-KRWDZBQOSA-N 2 1 368.909 3.096 20 5 FGBDMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000593319903 506537434 /nfs/dbraw/zinc/53/74/34/506537434.db2.gz FYBCUMZSXMOLMR-COXVUDFISA-N 2 1 353.850 3.109 20 5 FGBDMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000595073991 507379282 /nfs/dbraw/zinc/37/92/82/507379282.db2.gz UKDCQOBEYINLBH-MGPUTAFESA-N 2 1 355.438 3.012 20 5 FGBDMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000595073992 507379490 /nfs/dbraw/zinc/37/94/90/507379490.db2.gz UKDCQOBEYINLBH-QRWLVFNGSA-N 2 1 355.438 3.012 20 5 FGBDMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000746676718 722614311 /nfs/dbraw/zinc/61/43/11/722614311.db2.gz YGMYJCYKIPBPLE-MRXNPFEDSA-N 2 1 355.866 3.181 20 5 FGBDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000746676718 722614315 /nfs/dbraw/zinc/61/43/15/722614315.db2.gz YGMYJCYKIPBPLE-MRXNPFEDSA-N 2 1 355.866 3.181 20 5 FGBDMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000571327705 505707719 /nfs/dbraw/zinc/70/77/19/505707719.db2.gz CEDRZCMDVSWELH-UHFFFAOYSA-N 2 1 351.410 3.158 20 5 FGBDMP O=[N+]([O-])c1ccc(OCC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000089580910 494325774 /nfs/dbraw/zinc/32/57/74/494325774.db2.gz DTJMHPVPTAJKKQ-UHFFFAOYSA-N 2 1 369.465 3.270 20 5 FGBDMP C[NH+](C)[C@@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000580543927 505783218 /nfs/dbraw/zinc/78/32/18/505783218.db2.gz YWOBFGKYQYYGBU-SFHVURJKSA-N 2 1 362.474 3.024 20 5 FGBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185712617 495693263 /nfs/dbraw/zinc/69/32/63/495693263.db2.gz GIBKEUCVJZWGMO-HOTGVXAUSA-N 2 1 374.485 3.084 20 5 FGBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185712617 495693268 /nfs/dbraw/zinc/69/32/68/495693268.db2.gz GIBKEUCVJZWGMO-HOTGVXAUSA-N 2 1 374.485 3.084 20 5 FGBDMP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3csc([N+](=O)[O-])c3)CC2)C[C@H](C)O1 ZINC000177479182 496078137 /nfs/dbraw/zinc/07/81/37/496078137.db2.gz GDPCKNRPFQPOLV-GASCZTMLSA-N 2 1 367.515 3.368 20 5 FGBDMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3csc([N+](=O)[O-])c3)CC2)C[C@H](C)O1 ZINC000177479182 496078143 /nfs/dbraw/zinc/07/81/43/496078143.db2.gz GDPCKNRPFQPOLV-GASCZTMLSA-N 2 1 367.515 3.368 20 5 FGBDMP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000275563373 497365934 /nfs/dbraw/zinc/36/59/34/497365934.db2.gz NZTCFFPOCZGOTF-BQFCYCMXSA-N 2 1 354.454 3.355 20 5 FGBDMP CC[NH+]1CCC(CC[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000272569475 497665960 /nfs/dbraw/zinc/66/59/60/497665960.db2.gz VOKDSWKPUGSOQK-LJQANCHMSA-N 2 1 371.485 3.129 20 5 FGBDMP CC[NH+]1CCC(CC[NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000569497804 505948831 /nfs/dbraw/zinc/94/88/31/505948831.db2.gz ZXPSBEJECCJLRV-LJQANCHMSA-N 2 1 371.485 3.129 20 5 FGBDMP Cc1c([C@@H](C)[NH2+]Cc2ccncc2OCCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000290341201 498516511 /nfs/dbraw/zinc/51/65/11/498516511.db2.gz PKRWONQPIBOLIX-MRXNPFEDSA-N 2 1 372.469 3.480 20 5 FGBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)C1CCN(Cc2ccncc2)CC1 ZINC000367672715 499223553 /nfs/dbraw/zinc/22/35/53/499223553.db2.gz RZRWJQJCIFYDGS-UHFFFAOYSA-N 2 1 354.454 3.395 20 5 FGBDMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000371151067 499293633 /nfs/dbraw/zinc/29/36/33/499293633.db2.gz KJZZRDCDMDEIGA-UHFFFAOYSA-N 2 1 374.529 3.223 20 5 FGBDMP O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)cs2)c1 ZINC000414770600 499829080 /nfs/dbraw/zinc/82/90/80/499829080.db2.gz PDOYQOVLDLOULA-GASCZTMLSA-N 2 1 358.467 3.150 20 5 FGBDMP COc1ccc(-c2ccc(C[N@H+]3C[C@@H](C)[C@](C)(C[NH3+])C3)o2)c([N+](=O)[O-])c1 ZINC000415056107 499859108 /nfs/dbraw/zinc/85/91/08/499859108.db2.gz PUPSUCYMPGZFGX-BFUOFWGJSA-N 2 1 359.426 3.280 20 5 FGBDMP C[C@@H]1C[C@H](C)[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1C[NH3+] ZINC000422625803 500282753 /nfs/dbraw/zinc/28/27/53/500282753.db2.gz CMPAEZBEASXOHI-YCPHGPKFSA-N 2 1 358.442 3.098 20 5 FGBDMP C[C@@H]1CC2(C[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC(F)F)CC[NH2+]CC2 ZINC000424385116 500495000 /nfs/dbraw/zinc/49/50/00/500495000.db2.gz VXYDIRJUNDEWML-GFCCVEGCSA-N 2 1 355.385 3.160 20 5 FGBDMP O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)o2)c1 ZINC000592982521 506322419 /nfs/dbraw/zinc/32/24/19/506322419.db2.gz JZNJHOJRGLLYGV-WMZOPIPTSA-N 2 1 370.453 3.256 20 5 FGBDMP O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)o2)c1 ZINC000521442400 504739084 /nfs/dbraw/zinc/73/90/84/504739084.db2.gz DAFYMHVGTAURFJ-IAGOWNOFSA-N 2 1 370.453 3.114 20 5 FGBDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc([N+](=O)[O-])s1 ZINC000610573459 507295801 /nfs/dbraw/zinc/29/58/01/507295801.db2.gz BCUOBBLQVIFOPP-UHFFFAOYSA-N 2 1 366.531 3.289 20 5 FGBDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccsc1[N+](=O)[O-] ZINC000610573546 507296801 /nfs/dbraw/zinc/29/68/01/507296801.db2.gz WFAPOCVYXTWUCQ-UHFFFAOYSA-N 2 1 366.531 3.289 20 5 FGBDMP Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])cccc1[N+](=O)[O-] ZINC000595905567 507735829 /nfs/dbraw/zinc/73/58/29/507735829.db2.gz VQBFXSKMLPILIN-RHSMWYFYSA-N 2 1 362.474 3.071 20 5 FGBDMP CC(C)[N@H+](C)CC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000774846055 723935385 /nfs/dbraw/zinc/93/53/85/723935385.db2.gz MCWRRZZHPZYJTA-UHFFFAOYSA-N 2 1 350.419 3.055 20 5 FGBDMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000774846055 723935386 /nfs/dbraw/zinc/93/53/86/723935386.db2.gz MCWRRZZHPZYJTA-UHFFFAOYSA-N 2 1 350.419 3.055 20 5 FGBDMP CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000872036290 735580045 /nfs/dbraw/zinc/58/00/45/735580045.db2.gz RARGGHFSQVTDRH-HOCLYGCPSA-N 2 1 367.515 3.204 20 5 FGBDMP COCC[N@H+](C)CCCC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000122172374 494935553 /nfs/dbraw/zinc/93/55/53/494935553.db2.gz IATUTZOBHBCWLU-UHFFFAOYSA-N 2 1 355.504 3.227 20 5 FGBDMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000122172374 494935556 /nfs/dbraw/zinc/93/55/56/494935556.db2.gz IATUTZOBHBCWLU-UHFFFAOYSA-N 2 1 355.504 3.227 20 5 FGBDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000105442576 495364825 /nfs/dbraw/zinc/36/48/25/495364825.db2.gz XKMRUQWMTWNXRN-NSHDSACASA-N 2 1 354.357 3.127 20 5 FGBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185684690 495678045 /nfs/dbraw/zinc/67/80/45/495678045.db2.gz KYCDJBWKGMETKB-CVEARBPZSA-N 2 1 374.485 3.084 20 5 FGBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185684690 495678049 /nfs/dbraw/zinc/67/80/49/495678049.db2.gz KYCDJBWKGMETKB-CVEARBPZSA-N 2 1 374.485 3.084 20 5 FGBDMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185697835 495685602 /nfs/dbraw/zinc/68/56/02/495685602.db2.gz HOCOXZWZMXHDIC-OWCLPIDISA-N 2 1 374.485 3.164 20 5 FGBDMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185697835 495685607 /nfs/dbraw/zinc/68/56/07/495685607.db2.gz HOCOXZWZMXHDIC-OWCLPIDISA-N 2 1 374.485 3.164 20 5 FGBDMP C[C@H]1C[NH+](CCC2CC[NH+](Cc3csc([N+](=O)[O-])c3)CC2)C[C@H](C)O1 ZINC000177479201 496078358 /nfs/dbraw/zinc/07/83/58/496078358.db2.gz GDPCKNRPFQPOLV-GJZGRUSLSA-N 2 1 367.515 3.368 20 5 FGBDMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000191469989 496772978 /nfs/dbraw/zinc/77/29/78/496772978.db2.gz UVGLCLMBSJIBID-OAHLLOKOSA-N 2 1 373.457 3.093 20 5 FGBDMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000191469989 496772981 /nfs/dbraw/zinc/77/29/81/496772981.db2.gz UVGLCLMBSJIBID-OAHLLOKOSA-N 2 1 373.457 3.093 20 5 FGBDMP Cc1c([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000248454080 497017081 /nfs/dbraw/zinc/01/70/81/497017081.db2.gz QVBMEMZSQNZYDP-QFBILLFUSA-N 2 1 369.465 3.321 20 5 FGBDMP C[N@H+]1CCC[C@@]2(CC[NH+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C2)C1 ZINC000292996348 498228223 /nfs/dbraw/zinc/22/82/23/498228223.db2.gz OLVNLSDABXTUSB-HXUWFJFHSA-N 2 1 370.453 3.210 20 5 FGBDMP C[N@@H+](C[C@H]1CC12CC[NH+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC2)C1CC1 ZINC000365798450 498646282 /nfs/dbraw/zinc/64/62/82/498646282.db2.gz UYUPLQFQDIDVFA-OAHLLOKOSA-N 2 1 374.441 3.199 20 5 FGBDMP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)CCCC2 ZINC000417315598 500038517 /nfs/dbraw/zinc/03/85/17/500038517.db2.gz SLMFDULKHQUQGU-ICSRJNTNSA-N 2 1 361.486 3.189 20 5 FGBDMP C[NH+](C)CC1CC[NH+](Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000425405637 500095466 /nfs/dbraw/zinc/09/54/66/500095466.db2.gz LNDIXUQMEVVDFX-UHFFFAOYSA-N 2 1 356.264 3.131 20 5 FGBDMP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423526374 500382300 /nfs/dbraw/zinc/38/23/00/500382300.db2.gz VDEKYVMKHJANSR-KBPBESRZSA-N 2 1 361.467 3.352 20 5 FGBDMP C[N@@H+](CCC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000447515251 500615233 /nfs/dbraw/zinc/61/52/33/500615233.db2.gz BLGDDEUHIDDHAZ-MOPGFXCFSA-N 2 1 371.485 3.387 20 5 FGBDMP CCC1([NH+](C)C)CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000602966593 506368306 /nfs/dbraw/zinc/36/83/06/506368306.db2.gz KZUAKIQQHAHWBT-UHFFFAOYSA-N 2 1 362.474 3.038 20 5 FGBDMP C[C@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000531703140 504396560 /nfs/dbraw/zinc/39/65/60/504396560.db2.gz JCFYIIUCNXJRCY-UWJYYQICSA-N 2 1 368.481 3.234 20 5 FGBDMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000566718438 505252718 /nfs/dbraw/zinc/25/27/18/505252718.db2.gz ISTQFLHEYNARSF-BRWVUGGUSA-N 2 1 363.506 3.375 20 5 FGBDMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000566718438 505252720 /nfs/dbraw/zinc/25/27/20/505252720.db2.gz ISTQFLHEYNARSF-BRWVUGGUSA-N 2 1 363.506 3.375 20 5 FGBDMP CCO[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C[C@H]1C[NH3+] ZINC000593316154 506533844 /nfs/dbraw/zinc/53/38/44/506533844.db2.gz MTWBLMAOMMBASD-RHSMWYFYSA-N 2 1 361.467 3.119 20 5 FGBDMP O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000594504625 507159399 /nfs/dbraw/zinc/15/93/99/507159399.db2.gz JUTUHLVJGVNDEF-QGZVFWFLSA-N 2 1 367.877 3.024 20 5 FGBDMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000081572253 493921016 /nfs/dbraw/zinc/92/10/16/493921016.db2.gz VYMQXWDAAKBVQG-MRXNPFEDSA-N 2 1 372.469 3.456 20 5 FGBDMP CCC[NH+](C)C[C@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000081572253 493921022 /nfs/dbraw/zinc/92/10/22/493921022.db2.gz VYMQXWDAAKBVQG-MRXNPFEDSA-N 2 1 372.469 3.456 20 5 FGBDMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000081572253 493921025 /nfs/dbraw/zinc/92/10/25/493921025.db2.gz VYMQXWDAAKBVQG-MRXNPFEDSA-N 2 1 372.469 3.456 20 5 FGBDMP CCC[NH+]1CCC([N@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000092165315 494803396 /nfs/dbraw/zinc/80/33/96/494803396.db2.gz QGDUZYZDANUJRI-UHFFFAOYSA-N 2 1 371.485 3.302 20 5 FGBDMP CCC[NH+]1CCC([N@@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000092165315 494803399 /nfs/dbraw/zinc/80/33/99/494803399.db2.gz QGDUZYZDANUJRI-UHFFFAOYSA-N 2 1 371.485 3.302 20 5 FGBDMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000174453098 495965144 /nfs/dbraw/zinc/96/51/44/495965144.db2.gz PAMACKGMWRXDDA-UHFFFAOYSA-N 2 1 368.441 3.070 20 5 FGBDMP C[C@H]1CC2(C[N@H+]1CCc1ncc(-c3cccc([N+](=O)[O-])c3)o1)CC[NH2+]CC2 ZINC000580718617 505822486 /nfs/dbraw/zinc/82/24/86/505822486.db2.gz ZYIBEOWWSVMQGU-HNNXBMFYSA-N 2 1 370.453 3.256 20 5 FGBDMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000191469974 496773401 /nfs/dbraw/zinc/77/34/01/496773401.db2.gz UVGLCLMBSJIBID-HNNXBMFYSA-N 2 1 373.457 3.093 20 5 FGBDMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000191469974 496773407 /nfs/dbraw/zinc/77/34/07/496773407.db2.gz UVGLCLMBSJIBID-HNNXBMFYSA-N 2 1 373.457 3.093 20 5 FGBDMP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@H]3CCCC[C@@H]3O)CC1)CCC2 ZINC000193028373 497279895 /nfs/dbraw/zinc/27/98/95/497279895.db2.gz HGOMYAKGAUKPJL-HKBOAZHASA-N 2 1 373.497 3.330 20 5 FGBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000263667794 497806953 /nfs/dbraw/zinc/80/69/53/497806953.db2.gz FRJKBZIVHQXPAR-UHFFFAOYSA-N 2 1 362.474 3.036 20 5 FGBDMP COc1ccc(C[NH2+]C[C@H]([NH3+])C2CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414885281 499841696 /nfs/dbraw/zinc/84/16/96/499841696.db2.gz GIGQGGIDOYZUHZ-SFHVURJKSA-N 2 1 371.437 3.009 20 5 FGBDMP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)CCCC2 ZINC000417315595 500037878 /nfs/dbraw/zinc/03/78/78/500037878.db2.gz SLMFDULKHQUQGU-AZUAARDMSA-N 2 1 361.486 3.189 20 5 FGBDMP CCC[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000423508044 500380443 /nfs/dbraw/zinc/38/04/43/500380443.db2.gz KJFKAYSPEBDPQH-QLOJAFMTSA-N 2 1 360.502 3.242 20 5 FGBDMP C[C@@H](NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000423566545 500385603 /nfs/dbraw/zinc/38/56/03/500385603.db2.gz MBRJFCPADJTQJD-QGZVFWFLSA-N 2 1 368.481 3.239 20 5 FGBDMP C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420968892 500543278 /nfs/dbraw/zinc/54/32/78/500543278.db2.gz XMXXHPDKGZEUAH-UHFFFAOYSA-N 2 1 369.465 3.102 20 5 FGBDMP C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420968892 500543280 /nfs/dbraw/zinc/54/32/80/500543280.db2.gz XMXXHPDKGZEUAH-UHFFFAOYSA-N 2 1 369.465 3.102 20 5 FGBDMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447587673 500629824 /nfs/dbraw/zinc/62/98/24/500629824.db2.gz RRQWULBXEYADCF-SQNIBIBYSA-N 2 1 363.506 3.233 20 5 FGBDMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447587671 500630032 /nfs/dbraw/zinc/63/00/32/500630032.db2.gz RRQWULBXEYADCF-KURKYZTESA-N 2 1 363.506 3.233 20 5 FGBDMP CC[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCC[NH2+]CC1 ZINC000435612113 501001655 /nfs/dbraw/zinc/00/16/55/501001655.db2.gz DRZTZNMISOVMOM-MRXNPFEDSA-N 2 1 358.442 3.256 20 5 FGBDMP Cc1cc(N2CCC([NH2+][C@@H]3CCc4c3cccc4[N+](=O)[O-])CC2)nc(C)[nH+]1 ZINC000520837741 504593991 /nfs/dbraw/zinc/59/39/91/504593991.db2.gz FWZOWQPAPHKRIM-GOSISDBHSA-N 2 1 367.453 3.248 20 5 FGBDMP C[N@H+](CCCC[NH+]1CCCCC1)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000603109441 506421951 /nfs/dbraw/zinc/42/19/51/506421951.db2.gz AYXZDAORODXKAX-UHFFFAOYSA-N 2 1 373.457 3.343 20 5 FGBDMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000603109441 506421953 /nfs/dbraw/zinc/42/19/53/506421953.db2.gz AYXZDAORODXKAX-UHFFFAOYSA-N 2 1 373.457 3.343 20 5 FGBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000589195967 506478532 /nfs/dbraw/zinc/47/85/32/506478532.db2.gz QSSGSIGEIMIGHU-YULVEUEDSA-N 2 1 372.513 3.098 20 5 FGBDMP Cc1[nH+]ccn1CCC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602517085 507735132 /nfs/dbraw/zinc/73/51/32/507735132.db2.gz BRIVHEWGKVLHFC-UHFFFAOYSA-N 2 1 359.249 3.104 20 5 FGBDMP O=[N+]([O-])c1ccc(Cl)c(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000173963420 705480321 /nfs/dbraw/zinc/48/03/21/705480321.db2.gz OIUCILWOSMYXHS-UHFFFAOYSA-N 2 1 367.877 3.325 20 5 FGBDMP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000069833331 494020815 /nfs/dbraw/zinc/02/08/15/494020815.db2.gz HOEQPDLXNYEZDT-CALCHBBNSA-N 2 1 369.465 3.494 20 5 FGBDMP Cc1cc(N2CCC([NH2+][C@H](C)c3cccc([N+](=O)[O-])c3)CC2)nc(C)[nH+]1 ZINC000162218732 496316220 /nfs/dbraw/zinc/31/62/20/496316220.db2.gz GSZCXUCYCXSRRT-CQSZACIVSA-N 2 1 355.442 3.321 20 5 FGBDMP C[C@@H](Nc1ncnc2c1cnn2-c1cc[nH+]cc1)c1cccc([N+](=O)[O-])c1 ZINC000163340672 496501378 /nfs/dbraw/zinc/50/13/78/496501378.db2.gz ZPLQFMLISZEISK-GFCCVEGCSA-N 2 1 361.365 3.292 20 5 FGBDMP CC(C)C[NH+]1CCC([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000236791555 497146679 /nfs/dbraw/zinc/14/66/79/497146679.db2.gz BHTOTIVRXUJKII-UHFFFAOYSA-N 2 1 371.485 3.205 20 5 FGBDMP Cc1ccc([C@@H](C)[NH2+]Cc2ccncc2OCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000576069271 506068559 /nfs/dbraw/zinc/06/85/59/506068559.db2.gz HAQBHAXVDMHGJD-OAHLLOKOSA-N 2 1 358.442 3.089 20 5 FGBDMP COc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000366618384 499005732 /nfs/dbraw/zinc/00/57/32/499005732.db2.gz FGFGXWRNEKYATR-PXNSSMCTSA-N 2 1 370.453 3.123 20 5 FGBDMP COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000366618384 499005737 /nfs/dbraw/zinc/00/57/37/499005737.db2.gz FGFGXWRNEKYATR-PXNSSMCTSA-N 2 1 370.453 3.123 20 5 FGBDMP COc1cc(CNC[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c([N+](=O)[O-])cc1O ZINC000371723812 499359101 /nfs/dbraw/zinc/35/91/01/499359101.db2.gz NWAJNASUXRJJFU-FOIQADDNSA-N 2 1 371.437 3.092 20 5 FGBDMP O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414784560 499830948 /nfs/dbraw/zinc/83/09/48/499830948.db2.gz RLALXGZVHDMBDY-QWHCGFSZSA-N 2 1 355.385 3.018 20 5 FGBDMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000414947259 499847662 /nfs/dbraw/zinc/84/76/62/499847662.db2.gz VYDGIPWWYBRPEB-QAPCUYQASA-N 2 1 354.454 3.450 20 5 FGBDMP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C[C@H]3CCOC3)CC1)CCCC2 ZINC000417313190 500037601 /nfs/dbraw/zinc/03/76/01/500037601.db2.gz OYWAMUCDUHJLFK-IERDGZPVSA-N 2 1 373.497 3.453 20 5 FGBDMP COc1ccc([C@@H](C[NH3+])C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000420368938 500449631 /nfs/dbraw/zinc/44/96/31/500449631.db2.gz XAOIDILAYREJPQ-KRWDZBQOSA-N 2 1 355.438 3.310 20 5 FGBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000470169038 502690424 /nfs/dbraw/zinc/69/04/24/502690424.db2.gz AYERPVOZZZENBX-QISAAUFTSA-N 2 1 359.470 3.182 20 5 FGBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000470169038 502690430 /nfs/dbraw/zinc/69/04/30/502690430.db2.gz AYERPVOZZZENBX-QISAAUFTSA-N 2 1 359.470 3.182 20 5 FGBDMP CCC1([NH+]2CCCC2)CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000602949598 506364089 /nfs/dbraw/zinc/36/40/89/506364089.db2.gz JHBQBEIOGNYWRY-UHFFFAOYSA-N 2 1 374.485 3.264 20 5 FGBDMP CCC1([NH+](C)C)CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000602966811 506368008 /nfs/dbraw/zinc/36/80/08/506368008.db2.gz RRCGBQGRGJDHLA-UHFFFAOYSA-N 2 1 362.474 3.038 20 5 FGBDMP COc1cc(C[NH2+][C@H](C)C[C@H](C)[NH3+])c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000516649997 503560050 /nfs/dbraw/zinc/56/00/50/503560050.db2.gz DUCZFZBOAFELBY-LSDHHAIUSA-N 2 1 373.453 3.398 20 5 FGBDMP CC(C)c1ccc(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000589196101 506480378 /nfs/dbraw/zinc/48/03/78/506480378.db2.gz WXTFDXRRPQFWTM-LJQANCHMSA-N 2 1 374.529 3.319 20 5 FGBDMP Cc1[nH+]ccn1CCC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592132216 507495464 /nfs/dbraw/zinc/49/54/64/507495464.db2.gz CGFLXDJAWXFLFP-WGSAOQKQSA-N 2 1 372.469 3.296 20 5 FGBDMP Cc1[nH+]ccn1CCC[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592132216 507495469 /nfs/dbraw/zinc/49/54/69/507495469.db2.gz CGFLXDJAWXFLFP-WGSAOQKQSA-N 2 1 372.469 3.296 20 5 FGBDMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000844910848 730788446 /nfs/dbraw/zinc/78/84/46/730788446.db2.gz KJBPPLCRANKTQF-KBRIMQKVSA-N 2 1 353.850 3.109 20 5 FGBDMP Cc1cc(N2CCC([N@H+](C)Cc3cccc([N+](=O)[O-])c3)CC2)nc(C)[nH+]1 ZINC000080967866 493804094 /nfs/dbraw/zinc/80/40/94/493804094.db2.gz XWDSGRRHACKNLN-UHFFFAOYSA-N 2 1 355.442 3.102 20 5 FGBDMP Cc1cc(N2CCC([N@@H+](C)Cc3cccc([N+](=O)[O-])c3)CC2)nc(C)[nH+]1 ZINC000080967866 493804097 /nfs/dbraw/zinc/80/40/97/493804097.db2.gz XWDSGRRHACKNLN-UHFFFAOYSA-N 2 1 355.442 3.102 20 5 FGBDMP C[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185698484 495686951 /nfs/dbraw/zinc/68/69/51/495686951.db2.gz UXRXVIGGBBWXFS-HOTGVXAUSA-N 2 1 374.485 3.166 20 5 FGBDMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000185740758 495704840 /nfs/dbraw/zinc/70/48/40/495704840.db2.gz TXBLLGTWSGDMQF-HRCADAONSA-N 2 1 374.485 3.164 20 5 FGBDMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000185740758 495704845 /nfs/dbraw/zinc/70/48/45/495704845.db2.gz TXBLLGTWSGDMQF-HRCADAONSA-N 2 1 374.485 3.164 20 5 FGBDMP CCC[N@@H+](C)C[C@H]1CCN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000245416506 497394241 /nfs/dbraw/zinc/39/42/41/497394241.db2.gz FGPRTIXANPXPER-HUUCEWRRSA-N 2 1 373.457 3.370 20 5 FGBDMP CN(Cc1ccc(Br)c([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285653656 498159912 /nfs/dbraw/zinc/15/99/12/498159912.db2.gz YPFTWYGADNQKDP-PBWFPOADSA-N 2 1 368.275 3.414 20 5 FGBDMP C[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000290154919 498446356 /nfs/dbraw/zinc/44/63/56/498446356.db2.gz CWLKSHOAZUADBG-HNNXBMFYSA-N 2 1 358.442 3.171 20 5 FGBDMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3ccc([N+](=O)[O-])cc3F)CC2)C[C@@H](C)O1 ZINC000332094765 498559598 /nfs/dbraw/zinc/55/95/98/498559598.db2.gz BKGYBVQVTQCCNJ-HUUCEWRRSA-N 2 1 365.449 3.055 20 5 FGBDMP COc1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000311600232 498751930 /nfs/dbraw/zinc/75/19/30/498751930.db2.gz GPCLIDPGYVBQDM-CRAIPNDOSA-N 2 1 355.438 3.356 20 5 FGBDMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000377265706 499675062 /nfs/dbraw/zinc/67/50/62/499675062.db2.gz HJEDWMSXTWHVAE-UHFFFAOYSA-N 3 1 374.529 3.223 20 5 FGBDMP Cc1ccc([C@H](C)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000484160446 502589083 /nfs/dbraw/zinc/58/90/83/502589083.db2.gz HUQKOSQFYGWILI-LAUBAEHRSA-N 2 1 369.465 3.191 20 5 FGBDMP COc1cc(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)ccc1[N+](=O)[O-] ZINC000501072154 502929052 /nfs/dbraw/zinc/92/90/52/502929052.db2.gz ZMYWRYDIXIHLKW-UHFFFAOYSA-N 2 1 370.453 3.347 20 5 FGBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000602949059 506363367 /nfs/dbraw/zinc/36/33/67/506363367.db2.gz DHSUGWBCZGAHIG-UHFFFAOYSA-N 2 1 374.485 3.182 20 5 FGBDMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000844910020 730788256 /nfs/dbraw/zinc/78/82/56/730788256.db2.gz GCBIAPSIIHMRFJ-KBRIMQKVSA-N 2 1 353.850 3.109 20 5 FGBDMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000844910020 730788260 /nfs/dbraw/zinc/78/82/60/730788260.db2.gz GCBIAPSIIHMRFJ-KBRIMQKVSA-N 2 1 353.850 3.109 20 5 FGBDMP C[NH+]1CCC([NH+]2CCC(Nc3ccc([N+](=O)[O-])c4cccnc34)CC2)CC1 ZINC000050954432 493939468 /nfs/dbraw/zinc/93/94/68/493939468.db2.gz SNTMJBYDKKNPEB-UHFFFAOYSA-N 2 1 369.469 3.114 20 5 FGBDMP Cc1cc(N2CC[NH+](Cc3ccccn3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302194888 498437703 /nfs/dbraw/zinc/43/77/03/498437703.db2.gz SEOUOCZCFVIBQH-UHFFFAOYSA-N 2 1 363.421 3.169 20 5 FGBDMP COc1cc(C[NH2+]C[C@H]([NH3+])C(C)C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414796661 499832251 /nfs/dbraw/zinc/83/22/51/499832251.db2.gz OKCQKZCIQLOSCX-SFHVURJKSA-N 2 1 373.453 3.255 20 5 FGBDMP COc1ccc(-c2ccc(C[NH2+][C@H](C)[C@H]3CCC[NH2+]C3)o2)c([N+](=O)[O-])c1 ZINC000414853046 499838204 /nfs/dbraw/zinc/83/82/04/499838204.db2.gz KOFULAHFGNBZLA-KGLIPLIRSA-N 2 1 359.426 3.341 20 5 FGBDMP C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423526378 500382575 /nfs/dbraw/zinc/38/25/75/500382575.db2.gz VDEKYVMKHJANSR-UONOGXRCSA-N 2 1 361.467 3.352 20 5 FGBDMP CC[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCC[NH2+]CC1 ZINC000435612112 501001516 /nfs/dbraw/zinc/00/15/16/501001516.db2.gz DRZTZNMISOVMOM-INIZCTEOSA-N 2 1 358.442 3.256 20 5 FGBDMP CC(C)(C[NH+]1CCCC1)[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000452095473 501433892 /nfs/dbraw/zinc/43/38/92/501433892.db2.gz KXURTVKHLYZBEO-UHFFFAOYSA-N 2 1 358.442 3.256 20 5 FGBDMP CCC1([NH+](C)C)CC[NH+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000602966979 506368556 /nfs/dbraw/zinc/36/85/56/506368556.db2.gz YICMTLZRZWRZRM-UHFFFAOYSA-N 2 1 362.474 3.038 20 5 FGBDMP C[N@H+](CCCC[NH+]1CCCCC1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000603109713 506422707 /nfs/dbraw/zinc/42/27/07/506422707.db2.gz FLVIZAXYEAERLK-UHFFFAOYSA-N 2 1 373.457 3.343 20 5 FGBDMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000603109713 506422715 /nfs/dbraw/zinc/42/27/15/506422715.db2.gz FLVIZAXYEAERLK-UHFFFAOYSA-N 2 1 373.457 3.343 20 5 FGBDMP CC(C)c1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1[N+](=O)[O-] ZINC000593314325 506533003 /nfs/dbraw/zinc/53/30/03/506533003.db2.gz CGFUATOOQSXZKW-ZWOKBUDYSA-N 2 1 361.486 3.437 20 5 FGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000595069817 507378190 /nfs/dbraw/zinc/37/81/90/507378190.db2.gz LDXPNUJPGIPLIT-JXFKEZNVSA-N 2 1 369.465 3.321 20 5 FGBDMP O=[N+]([O-])c1cc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)ccc1Br ZINC000262374175 713724482 /nfs/dbraw/zinc/72/44/82/713724482.db2.gz XWQIJROCMYSERI-OAHLLOKOSA-N 2 1 368.275 3.321 20 5 FGBDMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000746675805 722614407 /nfs/dbraw/zinc/61/44/07/722614407.db2.gz OZJFPXJEWZNQGN-INIZCTEOSA-N 2 1 355.866 3.181 20 5 FGBDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000746675805 722614408 /nfs/dbraw/zinc/61/44/08/722614408.db2.gz OZJFPXJEWZNQGN-INIZCTEOSA-N 2 1 355.866 3.181 20 5 FGBDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000809737966 725263992 /nfs/dbraw/zinc/26/39/92/725263992.db2.gz NKMRMAGCSHWHIY-QGZVFWFLSA-N 2 1 368.909 3.096 20 5 FGBDMP CC[NH2+]CC1CC[NH+](Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000843055388 730574666 /nfs/dbraw/zinc/57/46/66/730574666.db2.gz IQZQPXBLPLGGRS-UHFFFAOYSA-N 2 1 356.264 3.179 20 5 FGBDMP CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000872036288 735580215 /nfs/dbraw/zinc/58/02/15/735580215.db2.gz RARGGHFSQVTDRH-GDBMZVCRSA-N 2 1 367.515 3.204 20 5 FGBDMP COc1ccc(-c2ccc(C[NH2+]C[C@@H]3CC[N@@H+](C4CC4)C3)o2)c([N+](=O)[O-])c1 ZINC000102421826 495136331 /nfs/dbraw/zinc/13/63/31/495136331.db2.gz FUNQINYRUSQKII-AWEZNQCLSA-N 2 1 371.437 3.437 20 5 FGBDMP COc1ccc(-c2ccc(C[NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)o2)c([N+](=O)[O-])c1 ZINC000102421826 495136332 /nfs/dbraw/zinc/13/63/32/495136332.db2.gz FUNQINYRUSQKII-AWEZNQCLSA-N 2 1 371.437 3.437 20 5 FGBDMP O=[N+]([O-])c1ccc(OCCC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134923686 495223491 /nfs/dbraw/zinc/22/34/91/495223491.db2.gz WUSNWOUAVBRQET-UZLBHIALSA-N 2 1 359.470 3.312 20 5 FGBDMP O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134923686 495223484 /nfs/dbraw/zinc/22/34/84/495223484.db2.gz WUSNWOUAVBRQET-UZLBHIALSA-N 2 1 359.470 3.312 20 5 FGBDMP O=[N+]([O-])c1ccc(OCCC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134923686 495223487 /nfs/dbraw/zinc/22/34/87/495223487.db2.gz WUSNWOUAVBRQET-UZLBHIALSA-N 2 1 359.470 3.312 20 5 FGBDMP O=[N+]([O-])c1ccc(OCCC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134923686 495223489 /nfs/dbraw/zinc/22/34/89/495223489.db2.gz WUSNWOUAVBRQET-UZLBHIALSA-N 2 1 359.470 3.312 20 5 FGBDMP Cc1nccn1CCC[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000130825535 495452271 /nfs/dbraw/zinc/45/22/71/495452271.db2.gz OFWMIKDOZLPCKX-UHFFFAOYSA-N 2 1 369.425 3.319 20 5 FGBDMP Cc1[nH+]ccn1CCC[N@@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000130825535 495452275 /nfs/dbraw/zinc/45/22/75/495452275.db2.gz OFWMIKDOZLPCKX-UHFFFAOYSA-N 2 1 369.425 3.319 20 5 FGBDMP Cc1[nH+]ccn1CCC[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000130825535 495452278 /nfs/dbraw/zinc/45/22/78/495452278.db2.gz OFWMIKDOZLPCKX-UHFFFAOYSA-N 2 1 369.425 3.319 20 5 FGBDMP C[N@H+](CCOc1ccccc1[N+](=O)[O-])C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174403192 495942495 /nfs/dbraw/zinc/94/24/95/495942495.db2.gz NNWAIUAGZUFKMB-IBGZPJMESA-N 2 1 369.465 3.428 20 5 FGBDMP C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174403192 495942503 /nfs/dbraw/zinc/94/25/03/495942503.db2.gz NNWAIUAGZUFKMB-IBGZPJMESA-N 2 1 369.465 3.428 20 5 FGBDMP C[NH+](CCOc1ccccc1[N+](=O)[O-])C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174403192 495942509 /nfs/dbraw/zinc/94/25/09/495942509.db2.gz NNWAIUAGZUFKMB-IBGZPJMESA-N 2 1 369.465 3.428 20 5 FGBDMP C[NH+](CCOc1ccccc1[N+](=O)[O-])C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174403192 495942515 /nfs/dbraw/zinc/94/25/15/495942515.db2.gz NNWAIUAGZUFKMB-IBGZPJMESA-N 2 1 369.465 3.428 20 5 FGBDMP COc1ccc(-c2ccc(C[N@@H+]3CC[C@]4(CC[NH2+]C4)C3)o2)c([N+](=O)[O-])c1 ZINC000262035861 497496522 /nfs/dbraw/zinc/49/65/22/497496522.db2.gz OOPNGXPJIHKNMZ-IBGZPJMESA-N 2 1 357.410 3.049 20 5 FGBDMP COc1ccc(-c2ccc(C[N@H+]3CC[C@]4(CC[NH2+]C4)C3)o2)c([N+](=O)[O-])c1 ZINC000262035861 497496527 /nfs/dbraw/zinc/49/65/27/497496527.db2.gz OOPNGXPJIHKNMZ-IBGZPJMESA-N 2 1 357.410 3.049 20 5 FGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000332403966 498678243 /nfs/dbraw/zinc/67/82/43/498678243.db2.gz WEWISXFNZGXJIL-SJORKVTESA-N 2 1 360.502 3.065 20 5 FGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000332403966 498678247 /nfs/dbraw/zinc/67/82/47/498678247.db2.gz WEWISXFNZGXJIL-SJORKVTESA-N 2 1 360.502 3.065 20 5 FGBDMP CC(C)c1ccc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1[N+](=O)[O-] ZINC000415058112 499859487 /nfs/dbraw/zinc/85/94/87/499859487.db2.gz SKKXFZPBTGIPAL-UHFFFAOYSA-N 2 1 360.502 3.024 20 5 FGBDMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000433093920 500624472 /nfs/dbraw/zinc/62/44/72/500624472.db2.gz WNFKIXLOJLTODW-DNVCBOLYSA-N 2 1 361.486 3.408 20 5 FGBDMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000433093920 500624476 /nfs/dbraw/zinc/62/44/76/500624476.db2.gz WNFKIXLOJLTODW-DNVCBOLYSA-N 2 1 361.486 3.408 20 5 FGBDMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447561749 500624930 /nfs/dbraw/zinc/62/49/30/500624930.db2.gz JISVAFCIYXSXGZ-MHORFTMASA-N 2 1 363.506 3.233 20 5 FGBDMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000451547675 501319864 /nfs/dbraw/zinc/31/98/64/501319864.db2.gz LMCQRSATNVHSBL-HXUWFJFHSA-N 2 1 374.529 3.190 20 5 FGBDMP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596094826 506255103 /nfs/dbraw/zinc/25/51/03/506255103.db2.gz MPGMRFXQGAINHL-RDJZCZTQSA-N 2 1 374.485 3.024 20 5 FGBDMP O=[N+]([O-])c1ccccc1CC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000463192126 502716671 /nfs/dbraw/zinc/71/66/71/502716671.db2.gz QPZKAYPSNLAGCO-UHFFFAOYSA-N 2 1 353.466 3.434 20 5 FGBDMP CC1CC[NH+](C[C@@H]2CCC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000498910225 503290146 /nfs/dbraw/zinc/29/01/46/503290146.db2.gz YUTUSVQLTABBQW-GOSISDBHSA-N 2 1 361.486 3.418 20 5 FGBDMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000498910225 503290148 /nfs/dbraw/zinc/29/01/48/503290148.db2.gz YUTUSVQLTABBQW-GOSISDBHSA-N 2 1 361.486 3.418 20 5 FGBDMP COc1cc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000516649994 503560086 /nfs/dbraw/zinc/56/00/86/503560086.db2.gz DUCZFZBOAFELBY-CABCVRRESA-N 2 1 373.453 3.398 20 5 FGBDMP Cc1c([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cccc1[N+](=O)[O-] ZINC000595066160 507374694 /nfs/dbraw/zinc/37/46/94/507374694.db2.gz DAZFJOYZAHPYOG-VQIMIIECSA-N 2 1 369.465 3.321 20 5 FGBDMP O=[N+]([O-])c1cc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)ccc1Br ZINC000843127267 730589412 /nfs/dbraw/zinc/58/94/12/730589412.db2.gz PGPFRBCFCPTORP-CQSZACIVSA-N 2 1 368.275 3.179 20 5 FGBDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000093638650 494904758 /nfs/dbraw/zinc/90/47/58/494904758.db2.gz QIFVMJQFLGRGLD-DNVCBOLYSA-N 2 1 371.485 3.157 20 5 FGBDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000093638650 494904762 /nfs/dbraw/zinc/90/47/62/494904762.db2.gz QIFVMJQFLGRGLD-DNVCBOLYSA-N 2 1 371.485 3.157 20 5 FGBDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000093638650 494904766 /nfs/dbraw/zinc/90/47/66/494904766.db2.gz QIFVMJQFLGRGLD-DNVCBOLYSA-N 2 1 371.485 3.157 20 5 FGBDMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185740780 495705148 /nfs/dbraw/zinc/70/51/48/495705148.db2.gz TXBLLGTWSGDMQF-OWCLPIDISA-N 2 1 374.485 3.164 20 5 FGBDMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185740780 495705151 /nfs/dbraw/zinc/70/51/51/495705151.db2.gz TXBLLGTWSGDMQF-OWCLPIDISA-N 2 1 374.485 3.164 20 5 FGBDMP Cc1[nH+]ccn1CCC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000264944861 497016233 /nfs/dbraw/zinc/01/62/33/497016233.db2.gz HZNWOXJUSAMLPD-UHFFFAOYSA-N 2 1 357.439 3.403 20 5 FGBDMP C[C@@H]1C[C@@H](N(C)Cc2ccc(Br)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000425428624 500103307 /nfs/dbraw/zinc/10/33/07/500103307.db2.gz XJPQQDHIGNVYLE-RISCZKNCSA-N 2 1 356.264 3.272 20 5 FGBDMP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423526380 500382338 /nfs/dbraw/zinc/38/23/38/500382338.db2.gz VDEKYVMKHJANSR-ZIAGYGMSSA-N 2 1 361.467 3.352 20 5 FGBDMP O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)o2)c1 ZINC000592982515 506321610 /nfs/dbraw/zinc/32/16/10/506321610.db2.gz JZNJHOJRGLLYGV-FUHWJXTLSA-N 2 1 370.453 3.256 20 5 FGBDMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000538750351 504357702 /nfs/dbraw/zinc/35/77/02/504357702.db2.gz UDJGNSKXTLYYIH-UHFFFAOYSA-N 2 1 363.502 3.474 20 5 FGBDMP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000545159133 504380123 /nfs/dbraw/zinc/38/01/23/504380123.db2.gz UZOITLWRWLYFBJ-FZKQIMNGSA-N 2 1 361.467 3.041 20 5 FGBDMP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000545159133 504380125 /nfs/dbraw/zinc/38/01/25/504380125.db2.gz UZOITLWRWLYFBJ-FZKQIMNGSA-N 2 1 361.467 3.041 20 5 FGBDMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000562984361 505010074 /nfs/dbraw/zinc/01/00/74/505010074.db2.gz GFTZWQDBHUSTMO-MRXNPFEDSA-N 2 1 362.474 3.168 20 5 FGBDMP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000603112328 506424048 /nfs/dbraw/zinc/42/40/48/506424048.db2.gz WNJCVAQYLRQLSJ-UHFFFAOYSA-N 2 1 362.474 3.040 20 5 FGBDMP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000603112328 506424055 /nfs/dbraw/zinc/42/40/55/506424055.db2.gz WNJCVAQYLRQLSJ-UHFFFAOYSA-N 2 1 362.474 3.040 20 5 FGBDMP C[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000157883841 705166665 /nfs/dbraw/zinc/16/66/65/705166665.db2.gz LNHUNUNRUUFHBI-FUNVUKJBSA-N 2 1 354.248 3.072 20 5 FGBDMP C[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000157883841 705166668 /nfs/dbraw/zinc/16/66/68/705166668.db2.gz LNHUNUNRUUFHBI-FUNVUKJBSA-N 2 1 354.248 3.072 20 5 FGBDMP CCC[NH+]1CCC([N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000109788113 494917869 /nfs/dbraw/zinc/91/78/69/494917869.db2.gz KNQQJVWAILUAEN-UHFFFAOYSA-N 2 1 362.474 3.038 20 5 FGBDMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185685073 495678594 /nfs/dbraw/zinc/67/85/94/495678594.db2.gz CROKWUZOBIFRJB-OWCLPIDISA-N 2 1 374.485 3.164 20 5 FGBDMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185685073 495678599 /nfs/dbraw/zinc/67/85/99/495678599.db2.gz CROKWUZOBIFRJB-OWCLPIDISA-N 2 1 374.485 3.164 20 5 FGBDMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000248427229 497007484 /nfs/dbraw/zinc/00/74/84/497007484.db2.gz AADGBAVSVWBNJR-FOIQADDNSA-N 2 1 355.438 3.012 20 5 FGBDMP COc1ccc(C[NH2+][C@H](C)[C@H](C)[NH3+])cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000415018768 499855366 /nfs/dbraw/zinc/85/53/66/499855366.db2.gz RIJXFKREMVFGJB-UONOGXRCSA-N 2 1 359.426 3.008 20 5 FGBDMP C[C@H]1C[N@@H+](CCC[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000417336402 500043618 /nfs/dbraw/zinc/04/36/18/500043618.db2.gz VEOGWWUBXKFSQW-JXFKEZNVSA-N 2 1 361.486 3.453 20 5 FGBDMP C[C@@H]1C[C@H](C)[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1C[NH3+] ZINC000422625802 500283207 /nfs/dbraw/zinc/28/32/07/500283207.db2.gz CMPAEZBEASXOHI-IJEWVQPXSA-N 2 1 358.442 3.098 20 5 FGBDMP COc1ccc([C@H](C[NH3+])C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000420366434 500448272 /nfs/dbraw/zinc/44/82/72/500448272.db2.gz UNYPURLWHMLVLM-QGZVFWFLSA-N 2 1 355.438 3.310 20 5 FGBDMP COc1ccc([C@H](C[NH3+])C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000420366434 500448274 /nfs/dbraw/zinc/44/82/74/500448274.db2.gz UNYPURLWHMLVLM-QGZVFWFLSA-N 2 1 355.438 3.310 20 5 FGBDMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447535122 500619202 /nfs/dbraw/zinc/61/92/02/500619202.db2.gz CVFAEMQAJVTOMH-FGTMMUONSA-N 2 1 363.506 3.377 20 5 FGBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000449063886 500915098 /nfs/dbraw/zinc/91/50/98/500915098.db2.gz ROTQYOYZLNBADK-KRWDZBQOSA-N 2 1 369.465 3.148 20 5 FGBDMP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596094825 506255451 /nfs/dbraw/zinc/25/54/51/506255451.db2.gz MPGMRFXQGAINHL-NVXWUHKLSA-N 2 1 374.485 3.024 20 5 FGBDMP COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501022833 502914295 /nfs/dbraw/zinc/91/42/95/502914295.db2.gz JTLZQBWHICOLIL-UHFFFAOYSA-N 2 1 370.453 3.347 20 5 FGBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000589195968 506479032 /nfs/dbraw/zinc/47/90/32/506479032.db2.gz QSSGSIGEIMIGHU-ZDJZVTAXSA-N 2 1 372.513 3.098 20 5 FGBDMP CC(C)c1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1[N+](=O)[O-] ZINC000593314323 506532449 /nfs/dbraw/zinc/53/24/49/506532449.db2.gz CGFUATOOQSXZKW-SQGPQFPESA-N 2 1 361.486 3.437 20 5 FGBDMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000185697849 495685535 /nfs/dbraw/zinc/68/55/35/495685535.db2.gz HOCOXZWZMXHDIC-JYJNAYRXSA-N 2 1 374.485 3.164 20 5 FGBDMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000185697849 495685538 /nfs/dbraw/zinc/68/55/38/495685538.db2.gz HOCOXZWZMXHDIC-JYJNAYRXSA-N 2 1 374.485 3.164 20 5 FGBDMP O=[N+]([O-])c1ccc(OCCC[N@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)cc1 ZINC000246998752 496747253 /nfs/dbraw/zinc/74/72/53/496747253.db2.gz WUSNWOUAVBRQET-JXFKEZNVSA-N 2 1 359.470 3.312 20 5 FGBDMP O=[N+]([O-])c1ccc(OCCCN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246998752 496747256 /nfs/dbraw/zinc/74/72/56/496747256.db2.gz WUSNWOUAVBRQET-JXFKEZNVSA-N 2 1 359.470 3.312 20 5 FGBDMP O=[N+]([O-])c1ccc(OCCCN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246998752 496747260 /nfs/dbraw/zinc/74/72/60/496747260.db2.gz WUSNWOUAVBRQET-JXFKEZNVSA-N 2 1 359.470 3.312 20 5 FGBDMP O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246998752 496747261 /nfs/dbraw/zinc/74/72/61/496747261.db2.gz WUSNWOUAVBRQET-JXFKEZNVSA-N 2 1 359.470 3.312 20 5 FGBDMP O=[N+]([O-])c1ccc(OCCC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246998752 496747262 /nfs/dbraw/zinc/74/72/62/496747262.db2.gz WUSNWOUAVBRQET-JXFKEZNVSA-N 2 1 359.470 3.312 20 5 FGBDMP O=[N+]([O-])c1ccc(OCCC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246998752 496747265 /nfs/dbraw/zinc/74/72/65/496747265.db2.gz WUSNWOUAVBRQET-JXFKEZNVSA-N 2 1 359.470 3.312 20 5 FGBDMP O=[N+]([O-])c1ccc(OCCC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246998752 496747270 /nfs/dbraw/zinc/74/72/70/496747270.db2.gz WUSNWOUAVBRQET-JXFKEZNVSA-N 2 1 359.470 3.312 20 5 FGBDMP CC[N@H+]1CC[C@H]([NH+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](C)C1 ZINC000245418183 497395360 /nfs/dbraw/zinc/39/53/60/497395360.db2.gz GLFGDYVXHOLSAW-YJBOKZPZSA-N 2 1 372.469 3.454 20 5 FGBDMP CC[NH+]1CC[C@H]([N@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](C)C1 ZINC000245418183 497395366 /nfs/dbraw/zinc/39/53/66/497395366.db2.gz GLFGDYVXHOLSAW-YJBOKZPZSA-N 2 1 372.469 3.454 20 5 FGBDMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](C)C1 ZINC000245418183 497395370 /nfs/dbraw/zinc/39/53/70/497395370.db2.gz GLFGDYVXHOLSAW-YJBOKZPZSA-N 2 1 372.469 3.454 20 5 FGBDMP COc1cc(C[NH2+][C@@H](C)CC[NH3+])c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000414899744 499843119 /nfs/dbraw/zinc/84/31/19/499843119.db2.gz VENGXJNQDRCKJJ-AWEZNQCLSA-N 2 1 359.426 3.009 20 5 FGBDMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000414973740 499850317 /nfs/dbraw/zinc/85/03/17/499850317.db2.gz CMWLNALLAKBCOO-MRXNPFEDSA-N 2 1 359.426 3.009 20 5 FGBDMP COCCC[NH+]1CCC([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000433167923 500638309 /nfs/dbraw/zinc/63/83/09/500638309.db2.gz KKILVTDFEZRYTN-LJQANCHMSA-N 2 1 361.486 3.408 20 5 FGBDMP COc1ccc(-c2ccc(C[N@H+]3CCC[C@H](CC[NH3+])C3)o2)c([N+](=O)[O-])c1 ZINC000442928472 500648133 /nfs/dbraw/zinc/64/81/33/500648133.db2.gz PLASSGCXMMZQFY-CQSZACIVSA-N 2 1 359.426 3.424 20 5 FGBDMP Cn1ccnc1[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602665363 506251233 /nfs/dbraw/zinc/25/12/33/506251233.db2.gz HPNIKMNRGAPOJO-LBPRGKRZSA-N 2 1 354.332 3.337 20 5 FGBDMP COc1c[nH+]ccc1N1CC[NH+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000475630064 502235699 /nfs/dbraw/zinc/23/56/99/502235699.db2.gz XOMYZXYIZQIFLG-VBKFSLOCSA-N 2 1 368.437 3.224 20 5 FGBDMP COc1c[nH+]ccc1N1CC[NH+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000483213483 502315378 /nfs/dbraw/zinc/31/53/78/502315378.db2.gz VHYYYISVKXBMHR-OAHLLOKOSA-N 2 1 356.426 3.190 20 5 FGBDMP O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)c1 ZINC000503374278 503396737 /nfs/dbraw/zinc/39/67/37/503396737.db2.gz JRFALIQREMLQAO-INIZCTEOSA-N 2 1 370.453 3.386 20 5 FGBDMP O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843125254 730588344 /nfs/dbraw/zinc/58/83/44/730588344.db2.gz PIXDLKSWWRQRRF-OLZOCXBDSA-N 2 1 368.275 3.179 20 5 FGBDMP Cc1c([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cccc1[N+](=O)[O-] ZINC000090523292 494478578 /nfs/dbraw/zinc/47/85/78/494478578.db2.gz AGQITXCICOKZQE-BEVDRBHNSA-N 2 1 361.486 3.322 20 5 FGBDMP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000247102140 496778630 /nfs/dbraw/zinc/77/86/30/496778630.db2.gz SKDKPFLFXCPWNW-KURKYZTESA-N 2 1 363.502 3.395 20 5 FGBDMP Cc1cc(N2CCC([N@H+](C)Cc3cc(F)ccc3[N+](=O)[O-])CC2)nc(C)[nH+]1 ZINC000365789354 498641469 /nfs/dbraw/zinc/64/14/69/498641469.db2.gz WRULQBJVQLQSJR-UHFFFAOYSA-N 2 1 373.432 3.242 20 5 FGBDMP Cc1cc(N2CCC([N@@H+](C)Cc3cc(F)ccc3[N+](=O)[O-])CC2)nc(C)[nH+]1 ZINC000365789354 498641472 /nfs/dbraw/zinc/64/14/72/498641472.db2.gz WRULQBJVQLQSJR-UHFFFAOYSA-N 2 1 373.432 3.242 20 5 FGBDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000398005743 499565507 /nfs/dbraw/zinc/56/55/07/499565507.db2.gz YUWXETSWLPGYAH-LAUBAEHRSA-N 2 1 369.465 3.474 20 5 FGBDMP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)CCCC2 ZINC000417315600 500038352 /nfs/dbraw/zinc/03/83/52/500038352.db2.gz SLMFDULKHQUQGU-QUCCMNQESA-N 2 1 361.486 3.189 20 5 FGBDMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417328311 500041153 /nfs/dbraw/zinc/04/11/53/500041153.db2.gz SHGSRUKVRLAUDE-NRFANRHFSA-N 2 1 374.529 3.370 20 5 FGBDMP C[NH+](C)Cc1cnc(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000511960986 503423957 /nfs/dbraw/zinc/42/39/57/503423957.db2.gz OXMULIJICHLHHH-UHFFFAOYSA-N 2 1 354.863 3.099 20 5 FGBDMP COc1cc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000516649995 503560827 /nfs/dbraw/zinc/56/08/27/503560827.db2.gz DUCZFZBOAFELBY-GJZGRUSLSA-N 2 1 373.453 3.398 20 5 FGBDMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000539818361 504700558 /nfs/dbraw/zinc/70/05/58/504700558.db2.gz XEXNBUFTQKRCOM-HNAYVOBHSA-N 2 1 371.485 3.300 20 5 FGBDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000539818361 504700564 /nfs/dbraw/zinc/70/05/64/504700564.db2.gz XEXNBUFTQKRCOM-HNAYVOBHSA-N 2 1 371.485 3.300 20 5 FGBDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000539818361 504700570 /nfs/dbraw/zinc/70/05/70/504700570.db2.gz XEXNBUFTQKRCOM-HNAYVOBHSA-N 2 1 371.485 3.300 20 5 FGBDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000539818361 504700578 /nfs/dbraw/zinc/70/05/78/504700578.db2.gz XEXNBUFTQKRCOM-HNAYVOBHSA-N 2 1 371.485 3.300 20 5 FGBDMP CC(C)c1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1[N+](=O)[O-] ZINC000539862161 504720635 /nfs/dbraw/zinc/72/06/35/504720635.db2.gz GCQHNWSMVMZBJI-IBGZPJMESA-N 2 1 374.529 3.319 20 5 FGBDMP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000595020010 507357475 /nfs/dbraw/zinc/35/74/75/507357475.db2.gz TZIUDLXSTMZFQR-XHSDSOJGSA-N 2 1 365.474 3.143 20 5 FGBDMP COc1cc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c([N+](=O)[O-])cc1F ZINC000374075067 713897876 /nfs/dbraw/zinc/89/78/76/713897876.db2.gz PVJRAWLXEGDLAV-UHFFFAOYSA-N 2 1 351.422 3.050 20 5 FGBDMP Cc1c(NC(=O)CC[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000072718796 494239344 /nfs/dbraw/zinc/23/93/44/494239344.db2.gz ZJKQOIYGUDPPOG-KRWDZBQOSA-N 2 1 374.485 3.040 20 5 FGBDMP CCC[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000124459068 495290875 /nfs/dbraw/zinc/29/08/75/495290875.db2.gz CPLHQWPJGYAOGP-FQEVSTJZSA-N 2 1 362.518 3.299 20 5 FGBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182573705 495621298 /nfs/dbraw/zinc/62/12/98/495621298.db2.gz JZWGNSQQDCCKAK-FFELKDMISA-N 2 1 372.513 3.207 20 5 FGBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182573705 495621304 /nfs/dbraw/zinc/62/13/04/495621304.db2.gz JZWGNSQQDCCKAK-FFELKDMISA-N 2 1 372.513 3.207 20 5 FGBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182573705 495621308 /nfs/dbraw/zinc/62/13/08/495621308.db2.gz JZWGNSQQDCCKAK-FFELKDMISA-N 2 1 372.513 3.207 20 5 FGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000182891403 495744686 /nfs/dbraw/zinc/74/46/86/495744686.db2.gz BSOWBSHKLIGASN-HKUYNNGSSA-N 2 1 360.502 3.066 20 5 FGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000182891403 495744696 /nfs/dbraw/zinc/74/46/96/495744696.db2.gz BSOWBSHKLIGASN-HKUYNNGSSA-N 2 1 360.502 3.066 20 5 FGBDMP CCCn1ccnc1CCC[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000191493428 496782347 /nfs/dbraw/zinc/78/23/47/496782347.db2.gz RGKKLCYPOYDFMX-UHFFFAOYSA-N 2 1 373.457 3.095 20 5 FGBDMP CCCn1cc[nH+]c1CCC[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000191493428 496782352 /nfs/dbraw/zinc/78/23/52/496782352.db2.gz RGKKLCYPOYDFMX-UHFFFAOYSA-N 2 1 373.457 3.095 20 5 FGBDMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000191493428 496782355 /nfs/dbraw/zinc/78/23/55/496782355.db2.gz RGKKLCYPOYDFMX-UHFFFAOYSA-N 2 1 373.457 3.095 20 5 FGBDMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000191497816 496784983 /nfs/dbraw/zinc/78/49/83/496784983.db2.gz KJWFTSJVJNXNCT-OAHLLOKOSA-N 2 1 373.457 3.093 20 5 FGBDMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000191497816 496784985 /nfs/dbraw/zinc/78/49/85/496784985.db2.gz KJWFTSJVJNXNCT-OAHLLOKOSA-N 2 1 373.457 3.093 20 5 FGBDMP CN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000289740708 498272076 /nfs/dbraw/zinc/27/20/76/498272076.db2.gz QEIKRYBHVZUSAL-DFNIBXOVSA-N 2 1 369.469 3.052 20 5 FGBDMP Cn1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000289740708 498272081 /nfs/dbraw/zinc/27/20/81/498272081.db2.gz QEIKRYBHVZUSAL-DFNIBXOVSA-N 2 1 369.469 3.052 20 5 FGBDMP Cn1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000289740708 498272086 /nfs/dbraw/zinc/27/20/86/498272086.db2.gz QEIKRYBHVZUSAL-DFNIBXOVSA-N 2 1 369.469 3.052 20 5 FGBDMP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000366299038 498865052 /nfs/dbraw/zinc/86/50/52/498865052.db2.gz LVGWMMVTPQNSCM-KCITZHQASA-N 2 1 361.486 3.443 20 5 FGBDMP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000366299038 498865058 /nfs/dbraw/zinc/86/50/58/498865058.db2.gz LVGWMMVTPQNSCM-KCITZHQASA-N 2 1 361.486 3.443 20 5 FGBDMP Cc1cc([N+](=O)[O-])ccc1CN(C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000376680582 499628695 /nfs/dbraw/zinc/62/86/95/499628695.db2.gz OMBFIIIOKDPDGK-ICSRJNTNSA-N 2 1 354.454 3.423 20 5 FGBDMP Cc1cc([N+](=O)[O-])ccc1CN(C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000376680582 499628696 /nfs/dbraw/zinc/62/86/96/499628696.db2.gz OMBFIIIOKDPDGK-ICSRJNTNSA-N 2 1 354.454 3.423 20 5 FGBDMP COc1ccc(C[NH2+][C@@H](C)[C@H](C)[NH3+])cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000415018766 499855425 /nfs/dbraw/zinc/85/54/25/499855425.db2.gz RIJXFKREMVFGJB-KBPBESRZSA-N 2 1 359.426 3.008 20 5 FGBDMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447561752 500625088 /nfs/dbraw/zinc/62/50/88/500625088.db2.gz JISVAFCIYXSXGZ-XMTFNYHQSA-N 2 1 363.506 3.233 20 5 FGBDMP Cc1ncc([N+](=O)[O-])n1CC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000602782209 506297194 /nfs/dbraw/zinc/29/71/94/506297194.db2.gz VYBIZPYXHPNZCG-VQIMIIECSA-N 2 1 371.485 3.085 20 5 FGBDMP Cc1ncc([N+](=O)[O-])n1CC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000602782209 506297198 /nfs/dbraw/zinc/29/71/98/506297198.db2.gz VYBIZPYXHPNZCG-VQIMIIECSA-N 2 1 371.485 3.085 20 5 FGBDMP Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000602782209 506297199 /nfs/dbraw/zinc/29/71/99/506297199.db2.gz VYBIZPYXHPNZCG-VQIMIIECSA-N 2 1 371.485 3.085 20 5 FGBDMP Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000602782209 506297202 /nfs/dbraw/zinc/29/72/02/506297202.db2.gz VYBIZPYXHPNZCG-VQIMIIECSA-N 2 1 371.485 3.085 20 5 FGBDMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000472266948 502290507 /nfs/dbraw/zinc/29/05/07/502290507.db2.gz YPWPOSANYJHUMN-INIZCTEOSA-N 2 1 355.866 3.181 20 5 FGBDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000472266948 502290513 /nfs/dbraw/zinc/29/05/13/502290513.db2.gz YPWPOSANYJHUMN-INIZCTEOSA-N 2 1 355.866 3.181 20 5 FGBDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000470178792 502697165 /nfs/dbraw/zinc/69/71/65/502697165.db2.gz NZOTXYWCBKROGW-XMJIKXADSA-N 2 1 361.486 3.431 20 5 FGBDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000470178789 502697865 /nfs/dbraw/zinc/69/78/65/502697865.db2.gz NZOTXYWCBKROGW-MBGNVJMVSA-N 2 1 361.486 3.431 20 5 FGBDMP C[C@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000531703138 504397016 /nfs/dbraw/zinc/39/70/16/504397016.db2.gz JCFYIIUCNXJRCY-LAUBAEHRSA-N 2 1 368.481 3.234 20 5 FGBDMP CC(C)c1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc1[N+](=O)[O-] ZINC000539862170 504721038 /nfs/dbraw/zinc/72/10/38/504721038.db2.gz GCQHNWSMVMZBJI-LJQANCHMSA-N 2 1 374.529 3.319 20 5 FGBDMP O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000565214217 504827383 /nfs/dbraw/zinc/82/73/83/504827383.db2.gz CWNCXCYNPHDEDP-HXUWFJFHSA-N 2 1 367.449 3.204 20 5 FGBDMP C[N@@H+]1CC[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1c1ccccc1 ZINC000550699235 505086476 /nfs/dbraw/zinc/08/64/76/505086476.db2.gz GBPDUBNVUIRNHS-FXAWDEMLSA-N 2 1 355.438 3.399 20 5 FGBDMP C[N@H+]1CC[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1c1ccccc1 ZINC000550699235 505086478 /nfs/dbraw/zinc/08/64/78/505086478.db2.gz GBPDUBNVUIRNHS-FXAWDEMLSA-N 2 1 355.438 3.399 20 5 FGBDMP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000595020009 507357505 /nfs/dbraw/zinc/35/75/05/507357505.db2.gz TZIUDLXSTMZFQR-OWCLPIDISA-N 2 1 365.474 3.143 20 5 FGBDMP Cc1ccc([C@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1[N+](=O)[O-] ZINC000595068552 507377688 /nfs/dbraw/zinc/37/76/88/507377688.db2.gz JAYYBAXXSDXJEY-JXFKEZNVSA-N 2 1 369.465 3.321 20 5 FGBDMP Cc1noc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000595306925 507456344 /nfs/dbraw/zinc/45/63/44/507456344.db2.gz QIVVDAMLJQNFDP-UHFFFAOYSA-N 2 1 358.442 3.235 20 5 FGBDMP Cc1noc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000595306925 507456347 /nfs/dbraw/zinc/45/63/47/507456347.db2.gz QIVVDAMLJQNFDP-UHFFFAOYSA-N 2 1 358.442 3.235 20 5 FGBDMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602549774 507745491 /nfs/dbraw/zinc/74/54/91/507745491.db2.gz DRDBLMUSBATZKF-UHFFFAOYSA-N 2 1 373.276 3.494 20 5 FGBDMP Cc1c([C@@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cccc1[N+](=O)[O-] ZINC000090523294 494478276 /nfs/dbraw/zinc/47/82/76/494478276.db2.gz AGQITXCICOKZQE-XPGWFJOJSA-N 2 1 361.486 3.322 20 5 FGBDMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000093692776 494913967 /nfs/dbraw/zinc/91/39/67/494913967.db2.gz TZFRSNUNCUFHBO-INIZCTEOSA-N 2 1 371.485 3.159 20 5 FGBDMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000093692776 494913969 /nfs/dbraw/zinc/91/39/69/494913969.db2.gz TZFRSNUNCUFHBO-INIZCTEOSA-N 2 1 371.485 3.159 20 5 FGBDMP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000151559295 495878313 /nfs/dbraw/zinc/87/83/13/495878313.db2.gz FCFHWTMUXYYMJS-UHFFFAOYSA-N 2 1 368.481 3.417 20 5 FGBDMP CC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000248450944 497016869 /nfs/dbraw/zinc/01/68/69/497016869.db2.gz PFVJBDDLJSNCSX-NHCUHLMSSA-N 2 1 369.465 3.402 20 5 FGBDMP C[N@H+]1CCC[C@H]2C[NH+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CC[C@H]21 ZINC000246616742 497790011 /nfs/dbraw/zinc/79/00/11/497790011.db2.gz DVULARUEPARHST-FUHWJXTLSA-N 2 1 370.453 3.208 20 5 FGBDMP C[NH+]1CCC[C@H]2C[N@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CC[C@H]21 ZINC000246616742 497790016 /nfs/dbraw/zinc/79/00/16/497790016.db2.gz DVULARUEPARHST-FUHWJXTLSA-N 2 1 370.453 3.208 20 5 FGBDMP C[NH+]1CCC[C@H]2C[N@@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CC[C@H]21 ZINC000246616742 497790021 /nfs/dbraw/zinc/79/00/21/497790021.db2.gz DVULARUEPARHST-FUHWJXTLSA-N 2 1 370.453 3.208 20 5 FGBDMP COc1cc(C[NH2+]C2CC[NH2+]CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414782348 499830765 /nfs/dbraw/zinc/83/07/65/499830765.db2.gz DNXVYKXUKOBFOZ-UHFFFAOYSA-N 2 1 371.437 3.024 20 5 FGBDMP COc1cc(C[NH2+]CC(C)(C)[NH3+])ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414804133 499832863 /nfs/dbraw/zinc/83/28/63/499832863.db2.gz MYJCTKAQNGPSQQ-UHFFFAOYSA-N 2 1 359.426 3.009 20 5 FGBDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000449139858 500933083 /nfs/dbraw/zinc/93/30/83/500933083.db2.gz LZBMRKAVFHWFCN-AOIWGVFYSA-N 2 1 363.502 3.252 20 5 FGBDMP C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464834093 502111735 /nfs/dbraw/zinc/11/17/35/502111735.db2.gz FWPPPTPRRLPJRS-LJQANCHMSA-N 2 1 369.465 3.428 20 5 FGBDMP C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464834093 502111738 /nfs/dbraw/zinc/11/17/38/502111738.db2.gz FWPPPTPRRLPJRS-LJQANCHMSA-N 2 1 369.465 3.428 20 5 FGBDMP C[NH+](CCOc1cccc([N+](=O)[O-])c1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464834093 502111741 /nfs/dbraw/zinc/11/17/41/502111741.db2.gz FWPPPTPRRLPJRS-LJQANCHMSA-N 2 1 369.465 3.428 20 5 FGBDMP C[NH+](CCOc1cccc([N+](=O)[O-])c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464834093 502111747 /nfs/dbraw/zinc/11/17/47/502111747.db2.gz FWPPPTPRRLPJRS-LJQANCHMSA-N 2 1 369.465 3.428 20 5 FGBDMP CCO[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C[C@H]1C[NH3+] ZINC000593317724 506535582 /nfs/dbraw/zinc/53/55/82/506535582.db2.gz VRHVGXFJHLPHJU-CXAGYDPISA-N 2 1 361.467 3.119 20 5 FGBDMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000593319906 506537537 /nfs/dbraw/zinc/53/75/37/506537537.db2.gz FYBCUMZSXMOLMR-XYPHTWIQSA-N 2 1 353.850 3.109 20 5 FGBDMP O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)ccc1Br ZINC000843125842 730588794 /nfs/dbraw/zinc/58/87/94/730588794.db2.gz JJPHSCAFPJSBPT-UONOGXRCSA-N 2 1 368.275 3.179 20 5 FGBDMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC12CCOCC2 ZINC000580192285 505700766 /nfs/dbraw/zinc/70/07/66/505700766.db2.gz HXNSGMZBAQNQIU-HNNXBMFYSA-N 2 1 371.437 3.042 20 5 FGBDMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000185685057 495678444 /nfs/dbraw/zinc/67/84/44/495678444.db2.gz CROKWUZOBIFRJB-HRCADAONSA-N 2 1 374.485 3.164 20 5 FGBDMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000185685057 495678449 /nfs/dbraw/zinc/67/84/49/495678449.db2.gz CROKWUZOBIFRJB-HRCADAONSA-N 2 1 374.485 3.164 20 5 FGBDMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)C[C@H](C)O1 ZINC000177501369 496088170 /nfs/dbraw/zinc/08/81/70/496088170.db2.gz RCHMQACUGRANDK-CALCHBBNSA-N 2 1 361.486 3.306 20 5 FGBDMP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000271072787 497258117 /nfs/dbraw/zinc/25/81/17/497258117.db2.gz FSNYRNBHBCGGGW-HNNXBMFYSA-N 2 1 367.515 3.166 20 5 FGBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378506775 499525294 /nfs/dbraw/zinc/52/52/94/499525294.db2.gz JFBJPRGXZLHECG-VQIMIIECSA-N 2 1 360.502 3.065 20 5 FGBDMP COc1ccc(-c2ccc(C[NH2+]C[C@@]3(C)CCC[NH2+]C3)o2)c([N+](=O)[O-])c1 ZINC000414916486 499844402 /nfs/dbraw/zinc/84/44/02/499844402.db2.gz PREXPQYURFCXQE-IBGZPJMESA-N 2 1 359.426 3.343 20 5 FGBDMP C[C@@H]1C[C@@H](C)[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1C[NH3+] ZINC000422625801 500282894 /nfs/dbraw/zinc/28/28/94/500282894.db2.gz CMPAEZBEASXOHI-IIAWOOMASA-N 2 1 358.442 3.098 20 5 FGBDMP C[C@H](NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000423566543 500385256 /nfs/dbraw/zinc/38/52/56/500385256.db2.gz MBRJFCPADJTQJD-KRWDZBQOSA-N 2 1 368.481 3.239 20 5 FGBDMP O=[N+]([O-])c1ccc2[nH+]ccc(NC3CC[NH+](Cc4ccccn4)CC3)c2c1 ZINC000601106212 507263643 /nfs/dbraw/zinc/26/36/43/507263643.db2.gz WCBSCIMBUHXQLC-UHFFFAOYSA-N 2 1 363.421 3.036 20 5 FGBDMP Cc1ccc([C@@H](C)NC[C@H](O)C[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000611404309 507664500 /nfs/dbraw/zinc/66/45/00/507664500.db2.gz GJTXKVPSVVEKBJ-APWZRJJASA-N 2 1 357.454 3.047 20 5 FGBDMP Cc1ccc([C@@H](C)[NH2+]C[C@H](O)CN(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000611404309 507664505 /nfs/dbraw/zinc/66/45/05/507664505.db2.gz GJTXKVPSVVEKBJ-APWZRJJASA-N 2 1 357.454 3.047 20 5 FGBDMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000579583101 505580272 /nfs/dbraw/zinc/58/02/72/505580272.db2.gz DFLWGQLOTDFRGH-INIZCTEOSA-N 2 1 362.474 3.024 20 5 FGBDMP C[NH+](C)CCCC1CC[NH+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000123609057 495159422 /nfs/dbraw/zinc/15/94/22/495159422.db2.gz AFGYKGMSUYZQOR-UHFFFAOYSA-N 2 1 373.457 3.199 20 5 FGBDMP CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000154385858 495600053 /nfs/dbraw/zinc/60/00/53/495600053.db2.gz QTILUIZYMKOEBG-NQIIRXRSSA-N 2 1 369.465 3.082 20 5 FGBDMP C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000154385858 495600056 /nfs/dbraw/zinc/60/00/56/495600056.db2.gz QTILUIZYMKOEBG-NQIIRXRSSA-N 2 1 369.465 3.082 20 5 FGBDMP C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000154385858 495600062 /nfs/dbraw/zinc/60/00/62/495600062.db2.gz QTILUIZYMKOEBG-NQIIRXRSSA-N 2 1 369.465 3.082 20 5 FGBDMP C[NH+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000154385858 495600065 /nfs/dbraw/zinc/60/00/65/495600065.db2.gz QTILUIZYMKOEBG-NQIIRXRSSA-N 2 1 369.465 3.082 20 5 FGBDMP C[NH+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000154385858 495600071 /nfs/dbraw/zinc/60/00/71/495600071.db2.gz QTILUIZYMKOEBG-NQIIRXRSSA-N 2 1 369.465 3.082 20 5 FGBDMP O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)o2)c1 ZINC000150750076 495621738 /nfs/dbraw/zinc/62/17/38/495621738.db2.gz YVRDZADCMDMPSE-MRXNPFEDSA-N 2 1 370.453 3.210 20 5 FGBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185712633 495693164 /nfs/dbraw/zinc/69/31/64/495693164.db2.gz GIBKEUCVJZWGMO-CVEARBPZSA-N 2 1 374.485 3.084 20 5 FGBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185712633 495693167 /nfs/dbraw/zinc/69/31/67/495693167.db2.gz GIBKEUCVJZWGMO-CVEARBPZSA-N 2 1 374.485 3.084 20 5 FGBDMP O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000278749462 497208072 /nfs/dbraw/zinc/20/80/72/497208072.db2.gz ATKUETZIOVYYQM-LJQANCHMSA-N 2 1 370.453 3.041 20 5 FGBDMP C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000312558337 498761559 /nfs/dbraw/zinc/76/15/59/498761559.db2.gz SMDNXBVQQXWOLQ-MJGOQNOKSA-N 2 1 369.465 3.474 20 5 FGBDMP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000366299042 498864940 /nfs/dbraw/zinc/86/49/40/498864940.db2.gz LVGWMMVTPQNSCM-RNIPGJKVSA-N 2 1 361.486 3.443 20 5 FGBDMP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000366299042 498864945 /nfs/dbraw/zinc/86/49/45/498864945.db2.gz LVGWMMVTPQNSCM-RNIPGJKVSA-N 2 1 361.486 3.443 20 5 FGBDMP C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1CCN(Cc2ccncc2)CC1 ZINC000370287563 499205942 /nfs/dbraw/zinc/20/59/42/499205942.db2.gz HRBAOTKINJVSHA-UHFFFAOYSA-N 2 1 358.417 3.225 20 5 FGBDMP CN(Cc1ccc([N+](=O)[O-])c(F)c1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000370287563 499205944 /nfs/dbraw/zinc/20/59/44/499205944.db2.gz HRBAOTKINJVSHA-UHFFFAOYSA-N 2 1 358.417 3.225 20 5 FGBDMP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000415007737 499854276 /nfs/dbraw/zinc/85/42/76/499854276.db2.gz CYFBLWWODGUFHF-HUUCEWRRSA-N 2 1 365.437 3.273 20 5 FGBDMP COc1ccc([C@H](C[NH3+])C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000420368939 500449241 /nfs/dbraw/zinc/44/92/41/500449241.db2.gz XAOIDILAYREJPQ-QGZVFWFLSA-N 2 1 355.438 3.310 20 5 FGBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000449219723 500951318 /nfs/dbraw/zinc/95/13/18/500951318.db2.gz BCYGLDODXPRUTA-KRWDZBQOSA-N 2 1 361.486 3.151 20 5 FGBDMP O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)o2)c1 ZINC000592982519 506322876 /nfs/dbraw/zinc/32/28/76/506322876.db2.gz JZNJHOJRGLLYGV-SJLPKXTDSA-N 2 1 370.453 3.256 20 5 FGBDMP COc1ccc(-c2ccc(C[NH2+]CC3=CC[N@@H+](C)CC3)o2)c([N+](=O)[O-])c1 ZINC000537342948 503884106 /nfs/dbraw/zinc/88/41/06/503884106.db2.gz IPZAEHPCLAZNJL-UHFFFAOYSA-N 2 1 357.410 3.215 20 5 FGBDMP O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000592433611 507654981 /nfs/dbraw/zinc/65/49/81/507654981.db2.gz LSXFATLNDJOYHT-UONOGXRCSA-N 2 1 369.412 3.408 20 5 FGBDMP C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1CCC[NH3+] ZINC000852758853 731631189 /nfs/dbraw/zinc/63/11/89/731631189.db2.gz FUGDBKFMNFDWSW-IUODEOHRSA-N 2 1 368.865 3.026 20 5 FGBDMP COc1c(O)ccc(C[N@@H+](C)CCCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000896028131 742484421 /nfs/dbraw/zinc/48/44/21/742484421.db2.gz OWAQWDPISAICDP-UHFFFAOYSA-N 2 1 351.447 3.007 20 5 FGBDMP Cc1cc(N2CCC([N@H+](C)CCc3ccc([N+](=O)[O-])cc3)CC2)nc(C)[nH+]1 ZINC000080968003 493804450 /nfs/dbraw/zinc/80/44/50/493804450.db2.gz MMAQWMDPOQLHLM-UHFFFAOYSA-N 2 1 369.469 3.145 20 5 FGBDMP Cc1cc(N2CCC([N@@H+](C)CCc3ccc([N+](=O)[O-])cc3)CC2)nc(C)[nH+]1 ZINC000080968003 493804454 /nfs/dbraw/zinc/80/44/54/493804454.db2.gz MMAQWMDPOQLHLM-UHFFFAOYSA-N 2 1 369.469 3.145 20 5 FGBDMP C[N@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)CC1CC[NH+](C)CC1 ZINC000093088646 494824738 /nfs/dbraw/zinc/82/47/38/494824738.db2.gz MIAMLCVXRMBIPX-UHFFFAOYSA-N 2 1 360.483 3.492 20 5 FGBDMP COc1ccc(-c2ccc(C[NH2+]C[C@H]3CC[N@@H+](C4CC4)C3)o2)c([N+](=O)[O-])c1 ZINC000102421827 495136311 /nfs/dbraw/zinc/13/63/11/495136311.db2.gz FUNQINYRUSQKII-CQSZACIVSA-N 2 1 371.437 3.437 20 5 FGBDMP COc1ccc(-c2ccc(C[NH2+]C[C@H]3CC[N@H+](C4CC4)C3)o2)c([N+](=O)[O-])c1 ZINC000102421827 495136312 /nfs/dbraw/zinc/13/63/12/495136312.db2.gz FUNQINYRUSQKII-CQSZACIVSA-N 2 1 371.437 3.437 20 5 FGBDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000183676145 496073914 /nfs/dbraw/zinc/07/39/14/496073914.db2.gz QAMMMBBRPWXAHO-VBKZILBWSA-N 2 1 366.421 3.473 20 5 FGBDMP Cc1c(NC(=O)CC[N@H+](C)C2CC[NH+](C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000299651093 497881842 /nfs/dbraw/zinc/88/18/42/497881842.db2.gz ZXFDKARYGJFLCJ-UHFFFAOYSA-N 2 1 362.474 3.036 20 5 FGBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366863418 499098603 /nfs/dbraw/zinc/09/86/03/499098603.db2.gz GGJLQNUHOKLCDY-UHFFFAOYSA-N 2 1 374.485 3.040 20 5 FGBDMP COc1ccc(-c2ccc(C[N@H+]3CC[C@@H](C)[C@H](C[NH3+])C3)o2)c([N+](=O)[O-])c1 ZINC000415123747 499866888 /nfs/dbraw/zinc/86/68/88/499866888.db2.gz JOOSXNRBHGMQOI-ZIAGYGMSSA-N 2 1 359.426 3.280 20 5 FGBDMP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C[C@H]3CCOC3)CC1)CCCC2 ZINC000417313191 500037497 /nfs/dbraw/zinc/03/74/97/500037497.db2.gz OYWAMUCDUHJLFK-IIBYNOLFSA-N 2 1 373.497 3.453 20 5 FGBDMP C[C@@H]1C[N@H+](CCC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCCO1 ZINC000432439166 500516702 /nfs/dbraw/zinc/51/67/02/500516702.db2.gz GAIYOQMSUVATCE-VQIMIIECSA-N 2 1 361.486 3.006 20 5 FGBDMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCCO1 ZINC000432439166 500516704 /nfs/dbraw/zinc/51/67/04/500516704.db2.gz GAIYOQMSUVATCE-VQIMIIECSA-N 2 1 361.486 3.006 20 5 FGBDMP C[NH2+]CCCN1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000435879051 501040904 /nfs/dbraw/zinc/04/09/04/501040904.db2.gz IETCOOJTFBOSRH-UHFFFAOYSA-N 2 1 374.510 3.050 20 5 FGBDMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000533447429 503849488 /nfs/dbraw/zinc/84/94/88/503849488.db2.gz YFSPBAHQNRGCDN-JKSUJKDBSA-N 2 1 362.474 3.036 20 5 FGBDMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000533447429 503849491 /nfs/dbraw/zinc/84/94/91/503849491.db2.gz YFSPBAHQNRGCDN-JKSUJKDBSA-N 2 1 362.474 3.036 20 5 FGBDMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000533447429 503849492 /nfs/dbraw/zinc/84/94/92/503849492.db2.gz YFSPBAHQNRGCDN-JKSUJKDBSA-N 2 1 362.474 3.036 20 5 FGBDMP Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1[N+](=O)[O-] ZINC000595068555 507378214 /nfs/dbraw/zinc/37/82/14/507378214.db2.gz JAYYBAXXSDXJEY-UZLBHIALSA-N 2 1 369.465 3.321 20 5 FGBDMP CC[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000595072181 507379838 /nfs/dbraw/zinc/37/98/38/507379838.db2.gz QIJRNWQSIXLGIM-NHCUHLMSSA-N 2 1 369.465 3.402 20 5 FGBDMP O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000592433610 507655890 /nfs/dbraw/zinc/65/58/90/507655890.db2.gz LSXFATLNDJOYHT-KGLIPLIRSA-N 2 1 369.412 3.408 20 5 FGBDMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000844910850 730788227 /nfs/dbraw/zinc/78/82/27/730788227.db2.gz KJBPPLCRANKTQF-XYPHTWIQSA-N 2 1 353.850 3.109 20 5 FGBDMP Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000183304756 495924048 /nfs/dbraw/zinc/92/40/48/495924048.db2.gz AFBPULVSLLKQMU-CALCHBBNSA-N 2 1 361.486 3.224 20 5 FGBDMP CCOc1ccc([C@H](C)[NH2+]C2CC[NH+](CCCOC)CC2)cc1[N+](=O)[O-] ZINC000153512710 496480266 /nfs/dbraw/zinc/48/02/66/496480266.db2.gz UYVKMDRJZDWAEY-HNNXBMFYSA-N 2 1 365.474 3.145 20 5 FGBDMP CCCn1ccnc1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000191493828 496781934 /nfs/dbraw/zinc/78/19/34/496781934.db2.gz QKNLYHOKIZDIPK-HNNXBMFYSA-N 2 1 373.457 3.093 20 5 FGBDMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000191493828 496781943 /nfs/dbraw/zinc/78/19/43/496781943.db2.gz QKNLYHOKIZDIPK-HNNXBMFYSA-N 2 1 373.457 3.093 20 5 FGBDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000245764072 497532011 /nfs/dbraw/zinc/53/20/11/497532011.db2.gz QIFVMJQFLGRGLD-KXBFYZLASA-N 2 1 371.485 3.157 20 5 FGBDMP C[N@@H+]1CC[C@@H](C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])[C@@H]1c1cccnc1 ZINC000364671819 498081242 /nfs/dbraw/zinc/08/12/42/498081242.db2.gz IRIGSQUJNHSOAO-NKVQNLSVSA-N 2 1 352.438 3.286 20 5 FGBDMP C[N@H+]1CC[C@@H](C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])[C@@H]1c1cccnc1 ZINC000364671819 498081247 /nfs/dbraw/zinc/08/12/47/498081247.db2.gz IRIGSQUJNHSOAO-NKVQNLSVSA-N 2 1 352.438 3.286 20 5 FGBDMP Cc1cc[nH+]c(N2CCN(c3cc(C)[nH+]c4ccc([N+](=O)[O-])cc43)CC2)c1 ZINC000302106360 498408640 /nfs/dbraw/zinc/40/86/40/498408640.db2.gz XPFXNHAEBJEILZ-UHFFFAOYSA-N 2 1 363.421 3.481 20 5 FGBDMP COc1ccc(-c2ccc(C[NH2+][C@@H]3CC[NH2+]CC3(C)C)o2)c([N+](=O)[O-])c1 ZINC000414981466 499851360 /nfs/dbraw/zinc/85/13/60/499851360.db2.gz XORNSXJVUMNDCP-GOSISDBHSA-N 2 1 359.426 3.341 20 5 FGBDMP C[C@@H]([NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)[C@H](C)[NH3+] ZINC000415007742 499854316 /nfs/dbraw/zinc/85/43/16/499854316.db2.gz CYFBLWWODGUFHF-LSDHHAIUSA-N 2 1 365.437 3.273 20 5 FGBDMP COc1cc(C[NH2+][C@@H](C)[C@H](C)[NH3+])ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000415014667 499855202 /nfs/dbraw/zinc/85/52/02/499855202.db2.gz MCLAMRZLTXZJHZ-KBPBESRZSA-N 2 1 359.426 3.008 20 5 FGBDMP CC1(C)C[C@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)c2cc([N+](=O)[O-])ccc21 ZINC000433126069 500631283 /nfs/dbraw/zinc/63/12/83/500631283.db2.gz MYAIBKFKCYCTFQ-LPHOPBHVSA-N 2 1 361.486 3.144 20 5 FGBDMP Cc1cc(N2CCC([NH2+][C@H](C)Cc3ccccc3[N+](=O)[O-])CC2)nc(C)[nH+]1 ZINC000449228646 500952335 /nfs/dbraw/zinc/95/23/35/500952335.db2.gz ZSKQPASBRPEZOW-CQSZACIVSA-N 2 1 369.469 3.191 20 5 FGBDMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000482131828 501984075 /nfs/dbraw/zinc/98/40/75/501984075.db2.gz GTDFLSDEHCIHGR-HOTGVXAUSA-N 2 1 362.474 3.024 20 5 FGBDMP COc1cc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000516649996 503560811 /nfs/dbraw/zinc/56/08/11/503560811.db2.gz DUCZFZBOAFELBY-HUUCEWRRSA-N 2 1 373.453 3.398 20 5 FGBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000589195966 506479561 /nfs/dbraw/zinc/47/95/61/506479561.db2.gz QSSGSIGEIMIGHU-WYPWOVKWSA-N 2 1 372.513 3.098 20 5 FGBDMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000595073993 507379889 /nfs/dbraw/zinc/37/98/89/507379889.db2.gz UKDCQOBEYINLBH-YWZLYKJASA-N 2 1 355.438 3.012 20 5 FGBDMP CC[N@H+](CCC1CC[NH+](Cc2onc(C)c2[N+](=O)[O-])CC1)CC1CC1 ZINC000595412304 507485432 /nfs/dbraw/zinc/48/54/32/507485432.db2.gz MZVWZJJNKOXGGM-UHFFFAOYSA-N 2 1 350.463 3.225 20 5 FGBDMP CC[N@@H+](CCC1CC[NH+](Cc2onc(C)c2[N+](=O)[O-])CC1)CC1CC1 ZINC000595412304 507485438 /nfs/dbraw/zinc/48/54/38/507485438.db2.gz MZVWZJJNKOXGGM-UHFFFAOYSA-N 2 1 350.463 3.225 20 5 FGBDMP O=[N+]([O-])c1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)ccc1Br ZINC000262374174 713724544 /nfs/dbraw/zinc/72/45/44/713724544.db2.gz XWQIJROCMYSERI-HNNXBMFYSA-N 2 1 368.275 3.321 20 5 FGBDMP C[NH+](C)[C@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000580543926 505783414 /nfs/dbraw/zinc/78/34/14/505783414.db2.gz YWOBFGKYQYYGBU-GOSISDBHSA-N 2 1 362.474 3.024 20 5 FGBDMP C[C@@H]1CC2(C[N@H+]1CCc1ncc(-c3cccc([N+](=O)[O-])c3)o1)CC[NH2+]CC2 ZINC000580718619 505822171 /nfs/dbraw/zinc/82/21/71/505822171.db2.gz ZYIBEOWWSVMQGU-OAHLLOKOSA-N 2 1 370.453 3.256 20 5 FGBDMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000182264721 496723428 /nfs/dbraw/zinc/72/34/28/496723428.db2.gz AADGBAVSVWBNJR-QRWLVFNGSA-N 2 1 355.438 3.012 20 5 FGBDMP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000332137803 498575299 /nfs/dbraw/zinc/57/52/99/498575299.db2.gz QEWAAKDPGAVVAI-IXDOHACOSA-N 2 1 361.486 3.477 20 5 FGBDMP CC[N@@H+]1CCC[C@@H](CN(C)Cc2ccc([N+](=O)[O-])cc2)[C@@H]1c1cnn(C)c1 ZINC000372513021 499136887 /nfs/dbraw/zinc/13/68/87/499136887.db2.gz BDAJIGYQYPYKIB-FXAWDEMLSA-N 2 1 371.485 3.233 20 5 FGBDMP CC[N@H+]1CCC[C@@H](CN(C)Cc2ccc([N+](=O)[O-])cc2)[C@@H]1c1cnn(C)c1 ZINC000372513021 499136888 /nfs/dbraw/zinc/13/68/88/499136888.db2.gz BDAJIGYQYPYKIB-FXAWDEMLSA-N 2 1 371.485 3.233 20 5 FGBDMP COc1ccc(-c2ccc(C[N@H+]3CCC[C@H]([C@@H](C)[NH3+])C3)o2)c([N+](=O)[O-])c1 ZINC000414654786 499817310 /nfs/dbraw/zinc/81/73/10/499817310.db2.gz GOSFOALWXYFZHI-KGLIPLIRSA-N 2 1 359.426 3.423 20 5 FGBDMP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414888049 499841764 /nfs/dbraw/zinc/84/17/64/499841764.db2.gz XONMABUGDUILPV-AZUAARDMSA-N 2 1 368.481 3.471 20 5 FGBDMP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000415007734 499854211 /nfs/dbraw/zinc/85/42/11/499854211.db2.gz CYFBLWWODGUFHF-CABCVRRESA-N 2 1 365.437 3.273 20 5 FGBDMP COc1ccc([C@H](C[NH3+])C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000420353215 500446276 /nfs/dbraw/zinc/44/62/76/500446276.db2.gz BKBGBFMMFRIGJP-QGZVFWFLSA-N 2 1 355.438 3.310 20 5 FGBDMP CC1(C)C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000433294070 500663773 /nfs/dbraw/zinc/66/37/73/500663773.db2.gz JOBTWSBSHDEHNL-XUVXKRRUSA-N 2 1 373.497 3.285 20 5 FGBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000449219724 500950951 /nfs/dbraw/zinc/95/09/51/500950951.db2.gz BCYGLDODXPRUTA-QGZVFWFLSA-N 2 1 361.486 3.151 20 5 FGBDMP O=[N+]([O-])c1ccccc1OCC[N@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000435617966 501002720 /nfs/dbraw/zinc/00/27/20/501002720.db2.gz RIUQWBSMHNBOQP-GOSISDBHSA-N 2 1 370.453 3.013 20 5 FGBDMP O=[N+]([O-])c1ccccc1OCC[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000435617966 501002723 /nfs/dbraw/zinc/00/27/23/501002723.db2.gz RIUQWBSMHNBOQP-GOSISDBHSA-N 2 1 370.453 3.013 20 5 FGBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000489862834 503052266 /nfs/dbraw/zinc/05/22/66/503052266.db2.gz YMCIMFXQVDFQIH-UHFFFAOYSA-N 2 1 362.474 3.073 20 5 FGBDMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000533447428 503850212 /nfs/dbraw/zinc/85/02/12/503850212.db2.gz YFSPBAHQNRGCDN-HZPDHXFCSA-N 2 1 362.474 3.036 20 5 FGBDMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000533447428 503850219 /nfs/dbraw/zinc/85/02/19/503850219.db2.gz YFSPBAHQNRGCDN-HZPDHXFCSA-N 2 1 362.474 3.036 20 5 FGBDMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000533447428 503850225 /nfs/dbraw/zinc/85/02/25/503850225.db2.gz YFSPBAHQNRGCDN-HZPDHXFCSA-N 2 1 362.474 3.036 20 5 FGBDMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000593729426 506750150 /nfs/dbraw/zinc/75/01/50/506750150.db2.gz DSWPBRWRIUFROZ-BFYDXBDKSA-N 2 1 353.850 3.109 20 5 FGBDMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000593729426 506750157 /nfs/dbraw/zinc/75/01/57/506750157.db2.gz DSWPBRWRIUFROZ-BFYDXBDKSA-N 2 1 353.850 3.109 20 5 FGBDMP O=[N+]([O-])c1ccc(CCCC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000594497495 507155774 /nfs/dbraw/zinc/15/57/74/507155774.db2.gz CDZWEOHZMQFCGZ-HXUWFJFHSA-N 2 1 361.486 3.151 20 5 FGBDMP Cc1noc(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c1[N+](=O)[O-] ZINC000595411671 507484973 /nfs/dbraw/zinc/48/49/73/507484973.db2.gz ZTCPTHHSMAHRIT-UHFFFAOYSA-N 2 1 359.430 3.025 20 5 FGBDMP Cc1noc(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c1[N+](=O)[O-] ZINC000595411671 507484981 /nfs/dbraw/zinc/48/49/81/507484981.db2.gz ZTCPTHHSMAHRIT-UHFFFAOYSA-N 2 1 359.430 3.025 20 5 FGBDMP CC[NH+]1CCC([N@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000077248581 494042196 /nfs/dbraw/zinc/04/21/96/494042196.db2.gz GOSCQVQQGTVBEG-UHFFFAOYSA-N 2 1 358.442 3.208 20 5 FGBDMP CC[NH+]1CCC([N@@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000077248581 494042199 /nfs/dbraw/zinc/04/21/99/494042199.db2.gz GOSCQVQQGTVBEG-UHFFFAOYSA-N 2 1 358.442 3.208 20 5 FGBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072719015 494239251 /nfs/dbraw/zinc/23/92/51/494239251.db2.gz VVXAFRMWPYEQAZ-QGZVFWFLSA-N 2 1 374.485 3.040 20 5 FGBDMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000105456653 495365716 /nfs/dbraw/zinc/36/57/16/495365716.db2.gz XCKZTBCXKSUIMH-INIZCTEOSA-N 2 1 371.485 3.205 20 5 FGBDMP C[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185698503 495686919 /nfs/dbraw/zinc/68/69/19/495686919.db2.gz UXRXVIGGBBWXFS-CVEARBPZSA-N 2 1 374.485 3.166 20 5 FGBDMP O=[N+]([O-])c1cccc(C[N@H+]2CC[C@H](Oc3cccnc3N3CCCC3)C2)c1 ZINC000571721649 505798275 /nfs/dbraw/zinc/79/82/75/505798275.db2.gz HGGFXAZHRRKKFH-SFHVURJKSA-N 2 1 368.437 3.243 20 5 FGBDMP O=[N+]([O-])c1cccc(CN2CC[C@H](Oc3cccnc3N3CCCC3)C2)c1 ZINC000571721649 505798278 /nfs/dbraw/zinc/79/82/78/505798278.db2.gz HGGFXAZHRRKKFH-SFHVURJKSA-N 2 1 368.437 3.243 20 5 FGBDMP Cc1c(NC(=O)[C@H](C)[NH+]2CCC(C[NH+]3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000171387658 495851069 /nfs/dbraw/zinc/85/10/69/495851069.db2.gz XEOLALCGWSANHM-INIZCTEOSA-N 2 1 374.485 3.038 20 5 FGBDMP Cn1ccnc1[C@H]1CCC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000377261561 499674847 /nfs/dbraw/zinc/67/48/47/499674847.db2.gz JUTOEAXCJTZVDX-HNNXBMFYSA-N 2 1 367.409 3.363 20 5 FGBDMP Cn1ccnc1[C@H]1CCCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000377261561 499674848 /nfs/dbraw/zinc/67/48/48/499674848.db2.gz JUTOEAXCJTZVDX-HNNXBMFYSA-N 2 1 367.409 3.363 20 5 FGBDMP Cc1cc(N2CCC([N@@H+](C)Cc3ccc([N+](=O)[O-])cc3)CC2)nc(C)n1 ZINC000377914748 499747705 /nfs/dbraw/zinc/74/77/05/499747705.db2.gz PXAKWIRFANRPBB-UHFFFAOYSA-N 2 1 355.442 3.102 20 5 FGBDMP Cc1cc(N2CCC([N@@H+](C)Cc3ccc([N+](=O)[O-])cc3)CC2)nc(C)[nH+]1 ZINC000377914748 499747708 /nfs/dbraw/zinc/74/77/08/499747708.db2.gz PXAKWIRFANRPBB-UHFFFAOYSA-N 2 1 355.442 3.102 20 5 FGBDMP COc1ccc(-c2ccc(C[NH2+][C@@H](C)[C@@H]3CCC[NH2+]C3)o2)c([N+](=O)[O-])c1 ZINC000414853047 499838211 /nfs/dbraw/zinc/83/82/11/499838211.db2.gz KOFULAHFGNBZLA-UONOGXRCSA-N 2 1 359.426 3.341 20 5 FGBDMP O=[N+]([O-])c1ccc(OCC[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000434685355 500879574 /nfs/dbraw/zinc/87/95/74/500879574.db2.gz PKLJOQPLCMNOQY-UHFFFAOYSA-N 2 1 370.453 3.386 20 5 FGBDMP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596094827 506255297 /nfs/dbraw/zinc/25/52/97/506255297.db2.gz MPGMRFXQGAINHL-WBVHZDCISA-N 2 1 374.485 3.024 20 5 FGBDMP C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464828541 502109367 /nfs/dbraw/zinc/10/93/67/502109367.db2.gz CGCUYXGRATXKOX-IBGZPJMESA-N 2 1 369.465 3.428 20 5 FGBDMP C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464828541 502109369 /nfs/dbraw/zinc/10/93/69/502109369.db2.gz CGCUYXGRATXKOX-IBGZPJMESA-N 2 1 369.465 3.428 20 5 FGBDMP C[NH+](CCOc1ccc([N+](=O)[O-])cc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464828541 502109370 /nfs/dbraw/zinc/10/93/70/502109370.db2.gz CGCUYXGRATXKOX-IBGZPJMESA-N 2 1 369.465 3.428 20 5 FGBDMP C[NH+](CCOc1ccc([N+](=O)[O-])cc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464828541 502109371 /nfs/dbraw/zinc/10/93/71/502109371.db2.gz CGCUYXGRATXKOX-IBGZPJMESA-N 2 1 369.465 3.428 20 5 FGBDMP C[NH+](C)CC1CC[NH+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000506858914 503185621 /nfs/dbraw/zinc/18/56/21/503185621.db2.gz DPOLUGHIKSFNIR-UHFFFAOYSA-N 2 1 360.483 3.492 20 5 FGBDMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])[C@@H](C)C1 ZINC000516193218 503466838 /nfs/dbraw/zinc/46/68/38/503466838.db2.gz IAGJKJVYTLLJGD-SNRMKQJTSA-N 2 1 361.486 3.309 20 5 FGBDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])[C@@H](C)C1 ZINC000516193218 503466843 /nfs/dbraw/zinc/46/68/43/503466843.db2.gz IAGJKJVYTLLJGD-SNRMKQJTSA-N 2 1 361.486 3.309 20 5 FGBDMP Cn1c[nH+]cc1CCC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000594014469 506883185 /nfs/dbraw/zinc/88/31/85/506883185.db2.gz RGQMGDVPIADSNG-UAPYVXQJSA-N 2 1 372.469 3.067 20 5 FGBDMP Cn1c[nH+]cc1CCC[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000594014469 506883188 /nfs/dbraw/zinc/88/31/88/506883188.db2.gz RGQMGDVPIADSNG-UAPYVXQJSA-N 2 1 372.469 3.067 20 5 FGBDMP C[NH+]1CCC2(CC1)C[N@H+](Cc1ccc(-c3cccc([N+](=O)[O-])c3)o1)CCO2 ZINC000592528997 507696426 /nfs/dbraw/zinc/69/64/26/507696426.db2.gz VXYWXXOOHIFCDB-UHFFFAOYSA-N 2 1 371.437 3.151 20 5 FGBDMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc(-c3cccc([N+](=O)[O-])c3)o1)CCO2 ZINC000592528997 507696431 /nfs/dbraw/zinc/69/64/31/507696431.db2.gz VXYWXXOOHIFCDB-UHFFFAOYSA-N 2 1 371.437 3.151 20 5 FGBDMP C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1CCC[NH3+] ZINC000595904808 507735296 /nfs/dbraw/zinc/73/52/96/507735296.db2.gz LJAYONKMZIHDBF-MLGOLLRUSA-N 2 1 368.865 3.026 20 5 FGBDMP C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1CCC[NH3+] ZINC000595904808 507735300 /nfs/dbraw/zinc/73/53/00/507735300.db2.gz LJAYONKMZIHDBF-MLGOLLRUSA-N 2 1 368.865 3.026 20 5 FGBDMP COC1CC[NH+](C2(C[NH2+]CCc3ccc([N+](=O)[O-])cc3)CCCC2)CC1 ZINC000602546257 507744045 /nfs/dbraw/zinc/74/40/45/507744045.db2.gz INAWTCFBLWAZJO-UHFFFAOYSA-N 2 1 361.486 3.151 20 5 FGBDMP C[NH+](C)CC1CC[NH+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000157801792 705164602 /nfs/dbraw/zinc/16/46/02/705164602.db2.gz MNPZWCKYHMCWKR-UHFFFAOYSA-N 2 1 356.264 3.131 20 5 FGBDMP C[NH2+]CCC1CC[NH+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000157896459 705167395 /nfs/dbraw/zinc/16/73/95/705167395.db2.gz DUAXDEYYINAKFQ-UHFFFAOYSA-N 2 1 356.264 3.179 20 5 FGBDMP CC[NH+](CC)CC1CC[NH+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000047977328 493768112 /nfs/dbraw/zinc/76/81/12/493768112.db2.gz WAQOMLBAXSBFQP-UHFFFAOYSA-N 2 1 373.457 3.199 20 5 FGBDMP Cc1ccc(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000092587171 494677185 /nfs/dbraw/zinc/67/71/85/494677185.db2.gz RKNQFMIMNIIWAM-CALCHBBNSA-N 2 1 361.486 3.224 20 5 FGBDMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000105456647 495365463 /nfs/dbraw/zinc/36/54/63/495365463.db2.gz XCKZTBCXKSUIMH-MRXNPFEDSA-N 2 1 371.485 3.205 20 5 FGBDMP O=[N+]([O-])c1ccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c(Cl)c1 ZINC000182206943 496706727 /nfs/dbraw/zinc/70/67/27/496706727.db2.gz VBTLGPZAVWFZBH-UHFFFAOYSA-N 2 1 367.877 3.325 20 5 FGBDMP COc1ccc(-c2ccc(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)o2)c([N+](=O)[O-])c1 ZINC000574917095 505882548 /nfs/dbraw/zinc/88/25/48/505882548.db2.gz RJULFRLOOMGIKV-KKXDTOCCSA-N 2 1 371.437 3.423 20 5 FGBDMP CC(C)[N@@H+](CCCN1CC[NH+](C(C)C)CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000192725128 497195856 /nfs/dbraw/zinc/19/58/56/497195856.db2.gz KNZPLPINOMQFNJ-UHFFFAOYSA-N 2 1 362.518 3.221 20 5 FGBDMP C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000332157441 498581941 /nfs/dbraw/zinc/58/19/41/498581941.db2.gz XVBDHFPMMZDRRI-BBWFWOEESA-N 2 1 361.486 3.477 20 5 FGBDMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC12CCOCC2 ZINC000570718713 506215029 /nfs/dbraw/zinc/21/50/29/506215029.db2.gz ABGNJSSXSORMRY-INIZCTEOSA-N 2 1 371.437 3.042 20 5 FGBDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000449139860 500933449 /nfs/dbraw/zinc/93/34/49/500933449.db2.gz LZBMRKAVFHWFCN-LNLFQRSKSA-N 2 1 363.502 3.252 20 5 FGBDMP Cn1ccnc1[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602665362 506251281 /nfs/dbraw/zinc/25/12/81/506251281.db2.gz HPNIKMNRGAPOJO-GFCCVEGCSA-N 2 1 354.332 3.337 20 5 FGBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000468643838 502134440 /nfs/dbraw/zinc/13/44/40/502134440.db2.gz URRUYGWINUOHQZ-GHRIWEEISA-N 2 1 359.470 3.233 20 5 FGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000540158707 503692877 /nfs/dbraw/zinc/69/28/77/503692877.db2.gz XCTUNJUOJKIBDU-CWFSZBLJSA-N 2 1 361.486 3.322 20 5 FGBDMP CC(C)c1ccc(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000589196098 506479431 /nfs/dbraw/zinc/47/94/31/506479431.db2.gz WXTFDXRRPQFWTM-IBGZPJMESA-N 2 1 374.529 3.319 20 5 FGBDMP COc1ccc(-c2ccc(C[N@H+]3C[C@@H]4CCC[C@]4(C[NH3+])C3)o2)c([N+](=O)[O-])c1 ZINC000593315448 506532786 /nfs/dbraw/zinc/53/27/86/506532786.db2.gz KBSOKQABOBIRTQ-XOBRGWDASA-N 2 1 371.437 3.424 20 5 FGBDMP CC[NH+](CC)CC1CC[NH+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000603684858 506596168 /nfs/dbraw/zinc/59/61/68/506596168.db2.gz FYVALNDLZGQBIY-UHFFFAOYSA-N 2 1 373.457 3.199 20 5 FGBDMP C[NH+](C)CCCOc1cnccc1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000584539674 507400991 /nfs/dbraw/zinc/40/09/91/507400991.db2.gz AGGSRLGTCGOGKN-SFHVURJKSA-N 2 1 370.453 3.097 20 5 FGBDMP C[N@@H+]1CCC[C@H]1CC[NH+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592133043 507499441 /nfs/dbraw/zinc/49/94/41/507499441.db2.gz RUZUPQOSOWYIIL-FHWLQOOXSA-N 2 1 361.486 3.185 20 5 FGBDMP C[N@H+]1CCC[C@H]1CC[NH+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592133043 507499446 /nfs/dbraw/zinc/49/94/46/507499446.db2.gz RUZUPQOSOWYIIL-FHWLQOOXSA-N 2 1 361.486 3.185 20 5 FGBDMP C[NH+]1CCC[C@H]1CC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592133043 507499453 /nfs/dbraw/zinc/49/94/53/507499453.db2.gz RUZUPQOSOWYIIL-FHWLQOOXSA-N 2 1 361.486 3.185 20 5 FGBDMP C[NH+]1CCC[C@H]1CC[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592133043 507499459 /nfs/dbraw/zinc/49/94/59/507499459.db2.gz RUZUPQOSOWYIIL-FHWLQOOXSA-N 2 1 361.486 3.185 20 5 FGBDMP C[NH+](C)CCC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000092381373 494611292 /nfs/dbraw/zinc/61/12/92/494611292.db2.gz JPOLZPWBTJNIPM-UHFFFAOYSA-N 2 1 357.401 3.360 20 5 FGBDMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000126731198 494828281 /nfs/dbraw/zinc/82/82/81/494828281.db2.gz HXMHZRDYEAOQHV-KRWDZBQOSA-N 2 1 368.481 3.193 20 5 FGBDMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000185697819 495685381 /nfs/dbraw/zinc/68/53/81/495685381.db2.gz HOCOXZWZMXHDIC-HRCADAONSA-N 2 1 374.485 3.164 20 5 FGBDMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000185697819 495685385 /nfs/dbraw/zinc/68/53/85/495685385.db2.gz HOCOXZWZMXHDIC-HRCADAONSA-N 2 1 374.485 3.164 20 5 FGBDMP Cc1c(NC(=O)CCN2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)cccc1[N+](=O)[O-] ZINC000174228295 495872791 /nfs/dbraw/zinc/87/27/91/495872791.db2.gz VBFJGSULMZKZEC-SJORKVTESA-N 2 1 374.485 3.179 20 5 FGBDMP Cc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000182261463 496722171 /nfs/dbraw/zinc/72/21/71/496722171.db2.gz UFDKXRBPICRMSF-JXFKEZNVSA-N 2 1 369.465 3.321 20 5 FGBDMP CCC[C@H]([NH2+]CCCCN1CC[NH+](CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000268792234 496786394 /nfs/dbraw/zinc/78/63/94/496786394.db2.gz DSESJMKLQKNUGD-FQEVSTJZSA-N 2 1 362.518 3.443 20 5 FGBDMP O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414784555 499830841 /nfs/dbraw/zinc/83/08/41/499830841.db2.gz RLALXGZVHDMBDY-CHWSQXEVSA-N 2 1 355.385 3.018 20 5 FGBDMP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000415007736 499854327 /nfs/dbraw/zinc/85/43/27/499854327.db2.gz CYFBLWWODGUFHF-GJZGRUSLSA-N 2 1 365.437 3.273 20 5 FGBDMP C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442766795 500622874 /nfs/dbraw/zinc/62/28/74/500622874.db2.gz PBHGDVAWDSEHCQ-FKEKPDDDSA-N 2 1 356.426 3.007 20 5 FGBDMP CC1(C)C[C@@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)c2cc([N+](=O)[O-])ccc21 ZINC000433126070 500631364 /nfs/dbraw/zinc/63/13/64/500631364.db2.gz MYAIBKFKCYCTFQ-QFBILLFUSA-N 2 1 361.486 3.144 20 5 FGBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000468631031 502131885 /nfs/dbraw/zinc/13/18/85/502131885.db2.gz JFXSTBSJFNYKDC-BOLKPDSISA-N 2 1 361.486 3.477 20 5 FGBDMP Cc1ncc([N+](=O)[O-])n1CC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000602782204 506297039 /nfs/dbraw/zinc/29/70/39/506297039.db2.gz VYBIZPYXHPNZCG-LPHOPBHVSA-N 2 1 371.485 3.085 20 5 FGBDMP Cc1ncc([N+](=O)[O-])n1CC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000602782204 506297042 /nfs/dbraw/zinc/29/70/42/506297042.db2.gz VYBIZPYXHPNZCG-LPHOPBHVSA-N 2 1 371.485 3.085 20 5 FGBDMP Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000602782204 506297048 /nfs/dbraw/zinc/29/70/48/506297048.db2.gz VYBIZPYXHPNZCG-LPHOPBHVSA-N 2 1 371.485 3.085 20 5 FGBDMP Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000602782204 506297052 /nfs/dbraw/zinc/29/70/52/506297052.db2.gz VYBIZPYXHPNZCG-LPHOPBHVSA-N 2 1 371.485 3.085 20 5 FGBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000489861183 503051006 /nfs/dbraw/zinc/05/10/06/503051006.db2.gz UGIHBRLMPRRLPJ-UHFFFAOYSA-N 2 1 362.474 3.073 20 5 FGBDMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)CC1 ZINC000594208401 507010296 /nfs/dbraw/zinc/01/02/96/507010296.db2.gz CTXSAVVWKGAHTP-UHFFFAOYSA-N 2 1 374.485 3.038 20 5 FGBDMP O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000594504624 507159528 /nfs/dbraw/zinc/15/95/28/507159528.db2.gz JUTUHLVJGVNDEF-KRWDZBQOSA-N 2 1 367.877 3.024 20 5 FGBDMP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000595015452 507356040 /nfs/dbraw/zinc/35/60/40/507356040.db2.gz NHFFBWHLZCQKLO-HNNXBMFYSA-N 2 1 373.453 3.395 20 5 FGBDMP Cc1noc(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)c1[N+](=O)[O-] ZINC000595343555 507465299 /nfs/dbraw/zinc/46/52/99/507465299.db2.gz BIAQVPNGHHTZHK-AWEZNQCLSA-N 2 1 350.463 3.368 20 5 FGBDMP Cc1noc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)c1[N+](=O)[O-] ZINC000595343555 507465304 /nfs/dbraw/zinc/46/53/04/507465304.db2.gz BIAQVPNGHHTZHK-AWEZNQCLSA-N 2 1 350.463 3.368 20 5 FGBDMP COc1ccc(C[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000592376444 507626609 /nfs/dbraw/zinc/62/66/09/507626609.db2.gz OIVYLZDAIAIWKR-MSOLQXFVSA-N 2 1 355.438 3.038 20 5 FGBDMP COc1ccc(C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000592376444 507626612 /nfs/dbraw/zinc/62/66/12/507626612.db2.gz OIVYLZDAIAIWKR-MSOLQXFVSA-N 2 1 355.438 3.038 20 5 FGBDMP Cc1cc(N2CCC([N@H+](C)Cc3ccccc3[N+](=O)[O-])CC2)nc(C)[nH+]1 ZINC000080968055 493803688 /nfs/dbraw/zinc/80/36/88/493803688.db2.gz HQVRCQNATFTERJ-UHFFFAOYSA-N 2 1 355.442 3.102 20 5 FGBDMP Cc1cc(N2CCC([N@@H+](C)Cc3ccccc3[N+](=O)[O-])CC2)nc(C)[nH+]1 ZINC000080968055 493803691 /nfs/dbraw/zinc/80/36/91/493803691.db2.gz HQVRCQNATFTERJ-UHFFFAOYSA-N 2 1 355.442 3.102 20 5 FGBDMP Cc1c([C@@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cccc1[N+](=O)[O-] ZINC000090523291 494478164 /nfs/dbraw/zinc/47/81/64/494478164.db2.gz AGQITXCICOKZQE-YSGRDPCXSA-N 2 1 361.486 3.322 20 5 FGBDMP CC[NH+](CC)CCOC1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000075007951 494672498 /nfs/dbraw/zinc/67/24/98/494672498.db2.gz RLNKSOXPYHIGBE-UHFFFAOYSA-N 2 1 353.438 3.057 20 5 FGBDMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000102423176 495136223 /nfs/dbraw/zinc/13/62/23/495136223.db2.gz NXPQCTFWEQBPFY-CQSZACIVSA-N 2 1 359.426 3.295 20 5 FGBDMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000102423176 495136225 /nfs/dbraw/zinc/13/62/25/495136225.db2.gz NXPQCTFWEQBPFY-CQSZACIVSA-N 2 1 359.426 3.295 20 5 FGBDMP C[N@H+]1CCC[C@]2(CC[NH+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C2)C1 ZINC000292996347 498228063 /nfs/dbraw/zinc/22/80/63/498228063.db2.gz OLVNLSDABXTUSB-FQEVSTJZSA-N 2 1 370.453 3.210 20 5 FGBDMP COc1ccc(-c2ccc(C[N@H+]3CCC[C@@H]([C@H](C)[NH3+])C3)o2)c([N+](=O)[O-])c1 ZINC000414654791 499817473 /nfs/dbraw/zinc/81/74/73/499817473.db2.gz GOSFOALWXYFZHI-UONOGXRCSA-N 2 1 359.426 3.423 20 5 FGBDMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000414947257 499847680 /nfs/dbraw/zinc/84/76/80/499847680.db2.gz VYDGIPWWYBRPEB-CRAIPNDOSA-N 2 1 354.454 3.450 20 5 FGBDMP CCC[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000423508043 500380305 /nfs/dbraw/zinc/38/03/05/500380305.db2.gz KJFKAYSPEBDPQH-AFMYVXGZSA-N 2 1 360.502 3.242 20 5 FGBDMP COc1ccc([C@@H](C[NH3+])C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000420353212 500446304 /nfs/dbraw/zinc/44/63/04/500446304.db2.gz BKBGBFMMFRIGJP-KRWDZBQOSA-N 2 1 355.438 3.310 20 5 FGBDMP CC[NH+](CC)CC1CC[NH+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000463492705 501740849 /nfs/dbraw/zinc/74/08/49/501740849.db2.gz VLBYHKLKJFQBDS-UHFFFAOYSA-N 2 1 353.438 3.296 20 5 FGBDMP C[N@@H+](CCC[NH3+])Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000582666655 506355252 /nfs/dbraw/zinc/35/52/52/506355252.db2.gz YJOKZHWQZKBSBT-UHFFFAOYSA-N 2 1 365.437 3.228 20 5 FGBDMP CC[NH+](CC)CCOC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000490400273 503168279 /nfs/dbraw/zinc/16/82/79/503168279.db2.gz MBNAFXZUKRHEHD-UHFFFAOYSA-N 2 1 353.438 3.057 20 5 FGBDMP C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000531932127 504478828 /nfs/dbraw/zinc/47/88/28/504478828.db2.gz RUBIGHONEPFLSQ-QAPCUYQASA-N 2 1 374.510 3.296 20 5 FGBDMP Cc1noc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1[N+](=O)[O-] ZINC000595501942 507532616 /nfs/dbraw/zinc/53/26/16/507532616.db2.gz JYLANIBUCCCVCS-UHFFFAOYSA-N 2 1 370.453 3.379 20 5 FGBDMP Cc1noc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1[N+](=O)[O-] ZINC000595501942 507532623 /nfs/dbraw/zinc/53/26/23/507532623.db2.gz JYLANIBUCCCVCS-UHFFFAOYSA-N 2 1 370.453 3.379 20 5 FGBDMP CCC[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000157882595 705166547 /nfs/dbraw/zinc/16/65/47/705166547.db2.gz DOBZGUFEZNQPLG-UHFFFAOYSA-N 2 1 356.264 3.321 20 5 FGBDMP CCC[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000157882595 705166551 /nfs/dbraw/zinc/16/65/51/705166551.db2.gz DOBZGUFEZNQPLG-UHFFFAOYSA-N 2 1 356.264 3.321 20 5 FGBDMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000846226764 730938070 /nfs/dbraw/zinc/93/80/70/730938070.db2.gz BODXDOAZJSNPGG-OIISXLGYSA-N 2 1 353.850 3.109 20 5 FGBDMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000846226764 730938072 /nfs/dbraw/zinc/93/80/72/730938072.db2.gz BODXDOAZJSNPGG-OIISXLGYSA-N 2 1 353.850 3.109 20 5 FGBDMP C[NH+]1CCC([NH+]2CCC(Nc3ccc([N+](=O)[O-])c4cnccc34)CC2)CC1 ZINC000050954623 493939332 /nfs/dbraw/zinc/93/93/32/493939332.db2.gz AKYQMAJCYPKMPM-UHFFFAOYSA-N 2 1 369.469 3.114 20 5 FGBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000072718504 494239521 /nfs/dbraw/zinc/23/95/21/494239521.db2.gz KANADYDXFYUGIP-KRWDZBQOSA-N 2 1 374.485 3.040 20 5 FGBDMP Cc1cc(N2CCC([NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)nc(C)[nH+]1 ZINC000162218579 496316146 /nfs/dbraw/zinc/31/61/46/496316146.db2.gz GSZCXUCYCXSRRT-AWEZNQCLSA-N 2 1 355.442 3.321 20 5 FGBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157344996 496458955 /nfs/dbraw/zinc/45/89/55/496458955.db2.gz FDXFZKUVIPHENR-QGZVFWFLSA-N 2 1 374.485 3.182 20 5 FGBDMP CCOc1ccc([C@@H](C)[NH2+]C2CC[NH+](CCCOC)CC2)cc1[N+](=O)[O-] ZINC000153512595 496480908 /nfs/dbraw/zinc/48/09/08/496480908.db2.gz UYVKMDRJZDWAEY-OAHLLOKOSA-N 2 1 365.474 3.145 20 5 FGBDMP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C1CC[NH+](CCOC)CC1 ZINC000271189664 497284951 /nfs/dbraw/zinc/28/49/51/497284951.db2.gz XJHJEJOFHFIQCO-OAHLLOKOSA-N 2 1 367.515 3.166 20 5 FGBDMP C[N@@H+]1CC[C@@H](CNCc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1c1cccnc1 ZINC000376965542 499649930 /nfs/dbraw/zinc/64/99/30/499649930.db2.gz ADKNDDIBLVLDQS-YJBOKZPZSA-N 2 1 360.845 3.426 20 5 FGBDMP C[N@H+]1CC[C@@H](CNCc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1c1cccnc1 ZINC000376965542 499649932 /nfs/dbraw/zinc/64/99/32/499649932.db2.gz ADKNDDIBLVLDQS-YJBOKZPZSA-N 2 1 360.845 3.426 20 5 FGBDMP Cn1ccnc1[C@@H]1CCC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000377261562 499674984 /nfs/dbraw/zinc/67/49/84/499674984.db2.gz JUTOEAXCJTZVDX-OAHLLOKOSA-N 2 1 367.409 3.363 20 5 FGBDMP Cn1ccnc1[C@@H]1CCCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000377261562 499674985 /nfs/dbraw/zinc/67/49/85/499674985.db2.gz JUTOEAXCJTZVDX-OAHLLOKOSA-N 2 1 367.409 3.363 20 5 FGBDMP COc1cc(C[NH2+][C@H](C[NH3+])C2CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414793036 499831973 /nfs/dbraw/zinc/83/19/73/499831973.db2.gz CYHWSKJHRIXAOK-GOSISDBHSA-N 2 1 371.437 3.009 20 5 FGBDMP CC[C@H]([NH3+])C[NH2+]Cc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000414982733 499851257 /nfs/dbraw/zinc/85/12/57/499851257.db2.gz SHZNIBLKZBLDNJ-INIZCTEOSA-N 2 1 359.426 3.009 20 5 FGBDMP COc1ccc(C[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000414994900 499852900 /nfs/dbraw/zinc/85/29/00/499852900.db2.gz DZVAITCHNJECSZ-FUHWJXTLSA-N 2 1 373.428 3.225 20 5 FGBDMP COc1ccc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000415018767 499855358 /nfs/dbraw/zinc/85/53/58/499855358.db2.gz RIJXFKREMVFGJB-KGLIPLIRSA-N 2 1 359.426 3.008 20 5 FGBDMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447535123 500619691 /nfs/dbraw/zinc/61/96/91/500619691.db2.gz CVFAEMQAJVTOMH-KURKYZTESA-N 2 1 363.506 3.377 20 5 FGBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000449063721 500915192 /nfs/dbraw/zinc/91/51/92/500915192.db2.gz QZAXRBFRCJHNJP-QGZVFWFLSA-N 2 1 369.465 3.148 20 5 FGBDMP Cc1ncsc1C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@H]1CC[NH2+]C1 ZINC000435729429 501018973 /nfs/dbraw/zinc/01/89/73/501018973.db2.gz AOTXVRMZGFQMTI-INIZCTEOSA-N 2 1 360.483 3.014 20 5 FGBDMP Cc1ncsc1C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@H]1CC[NH2+]C1 ZINC000435729429 501018975 /nfs/dbraw/zinc/01/89/75/501018975.db2.gz AOTXVRMZGFQMTI-INIZCTEOSA-N 2 1 360.483 3.014 20 5 FGBDMP C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464834091 502112272 /nfs/dbraw/zinc/11/22/72/502112272.db2.gz FWPPPTPRRLPJRS-IBGZPJMESA-N 2 1 369.465 3.428 20 5 FGBDMP C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464834091 502112273 /nfs/dbraw/zinc/11/22/73/502112273.db2.gz FWPPPTPRRLPJRS-IBGZPJMESA-N 2 1 369.465 3.428 20 5 FGBDMP C[NH+](CCOc1cccc([N+](=O)[O-])c1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464834091 502112277 /nfs/dbraw/zinc/11/22/77/502112277.db2.gz FWPPPTPRRLPJRS-IBGZPJMESA-N 2 1 369.465 3.428 20 5 FGBDMP C[NH+](CCOc1cccc([N+](=O)[O-])c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464834091 502112280 /nfs/dbraw/zinc/11/22/80/502112280.db2.gz FWPPPTPRRLPJRS-IBGZPJMESA-N 2 1 369.465 3.428 20 5 FGBDMP O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000565214216 504826744 /nfs/dbraw/zinc/82/67/44/504826744.db2.gz CWNCXCYNPHDEDP-FQEVSTJZSA-N 2 1 367.449 3.204 20 5 FGBDMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC12CCOCC2 ZINC000567166751 505382983 /nfs/dbraw/zinc/38/29/83/505382983.db2.gz MWKROPSRUDDYDN-MRXNPFEDSA-N 2 1 371.437 3.042 20 5 FGBDMP C[NH+](C)CCCOC1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000601124353 507269740 /nfs/dbraw/zinc/26/97/40/507269740.db2.gz FMQBQJTUDVKWQC-UHFFFAOYSA-N 2 1 358.442 3.080 20 5 FGBDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1sccc1[N+](=O)[O-] ZINC000611413306 507670130 /nfs/dbraw/zinc/67/01/30/507670130.db2.gz FRQRNZCYXCUDRE-UHFFFAOYSA-N 2 1 366.531 3.289 20 5 FGBDMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000768548876 723661498 /nfs/dbraw/zinc/66/14/98/723661498.db2.gz ITCIOCYFGZTTRP-HNNXBMFYSA-N 2 1 355.866 3.181 20 5 FGBDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000768548876 723661500 /nfs/dbraw/zinc/66/15/00/723661500.db2.gz ITCIOCYFGZTTRP-HNNXBMFYSA-N 2 1 355.866 3.181 20 5 FGBDMP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000162884691 496428126 /nfs/dbraw/zinc/42/81/26/496428126.db2.gz SKDKPFLFXCPWNW-OKZBNKHCSA-N 2 1 363.502 3.395 20 5 FGBDMP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000275563388 497366190 /nfs/dbraw/zinc/36/61/90/497366190.db2.gz NZTCFFPOCZGOTF-SOLBZPMBSA-N 2 1 354.454 3.355 20 5 FGBDMP CCC[N@@H+](C)C[C@@H]1CCN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000245416505 497395017 /nfs/dbraw/zinc/39/50/17/497395017.db2.gz FGPRTIXANPXPER-CABCVRRESA-N 2 1 373.457 3.370 20 5 FGBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000299594398 497862133 /nfs/dbraw/zinc/86/21/33/497862133.db2.gz FYRHSYXUJUYBED-UHFFFAOYSA-N 2 1 374.485 3.182 20 5 FGBDMP Cc1c([C@H](C)[NH2+]Cc2ccncc2OCCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000290341194 498516234 /nfs/dbraw/zinc/51/62/34/498516234.db2.gz PKRWONQPIBOLIX-INIZCTEOSA-N 2 1 372.469 3.480 20 5 FGBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000332395921 498674380 /nfs/dbraw/zinc/67/43/80/498674380.db2.gz PBYKCQGHQMFSHR-GOSISDBHSA-N 2 1 374.529 3.455 20 5 FGBDMP Cc1ccc(C[NH2+]CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1[N+](=O)[O-] ZINC000363663115 498930200 /nfs/dbraw/zinc/93/02/00/498930200.db2.gz QPTIDBQFMXGYFO-UHFFFAOYSA-N 3 1 374.529 3.189 20 5 FGBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)C1CCN(CCc2ccncc2)CC1 ZINC000377926760 499748589 /nfs/dbraw/zinc/74/85/89/499748589.db2.gz YIMMYRIQYQSIIL-UHFFFAOYSA-N 2 1 368.481 3.437 20 5 FGBDMP Cc1cc([N+](=O)[O-])ccc1CN(C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000377926760 499748591 /nfs/dbraw/zinc/74/85/91/499748591.db2.gz YIMMYRIQYQSIIL-UHFFFAOYSA-N 2 1 368.481 3.437 20 5 FGBDMP COc1ccc(C[NH2+]CC(C)(C)[NH3+])cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414797406 499832237 /nfs/dbraw/zinc/83/22/37/499832237.db2.gz CXSDSFSWWOWKCN-UHFFFAOYSA-N 2 1 359.426 3.009 20 5 FGBDMP COc1ccc(-c2ccc(C[N@@H+]3CC[C@@]4(CC[NH+](C)C4)C3)o2)c([N+](=O)[O-])c1 ZINC000430115194 500194991 /nfs/dbraw/zinc/19/49/91/500194991.db2.gz FVAJWECFBAJOSI-HXUWFJFHSA-N 2 1 371.437 3.391 20 5 FGBDMP COc1ccc(-c2ccc(C[N@H+]3CC[C@@]4(CC[NH+](C)C4)C3)o2)c([N+](=O)[O-])c1 ZINC000430115194 500194992 /nfs/dbraw/zinc/19/49/92/500194992.db2.gz FVAJWECFBAJOSI-HXUWFJFHSA-N 2 1 371.437 3.391 20 5 FGBDMP COc1ccc(-c2ccc(C[NH+]3CC[C@@]4(CC[N@H+](C)C4)C3)o2)c([N+](=O)[O-])c1 ZINC000430115194 500194993 /nfs/dbraw/zinc/19/49/93/500194993.db2.gz FVAJWECFBAJOSI-HXUWFJFHSA-N 2 1 371.437 3.391 20 5 FGBDMP COc1ccc(-c2ccc(C[NH+]3CC[C@@]4(CC[N@@H+](C)C4)C3)o2)c([N+](=O)[O-])c1 ZINC000430115194 500194994 /nfs/dbraw/zinc/19/49/94/500194994.db2.gz FVAJWECFBAJOSI-HXUWFJFHSA-N 2 1 371.437 3.391 20 5 FGBDMP COc1ccc([C@@H](C[NH3+])C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000420366433 500448600 /nfs/dbraw/zinc/44/86/00/500448600.db2.gz UNYPURLWHMLVLM-KRWDZBQOSA-N 2 1 355.438 3.310 20 5 FGBDMP COc1ccc([C@@H](C[NH3+])C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000420366433 500448602 /nfs/dbraw/zinc/44/86/02/500448602.db2.gz UNYPURLWHMLVLM-KRWDZBQOSA-N 2 1 355.438 3.310 20 5 FGBDMP CCOc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000432411980 500512875 /nfs/dbraw/zinc/51/28/75/500512875.db2.gz DDHXLFBFTCRNMF-CVEARBPZSA-N 2 1 365.474 3.145 20 5 FGBDMP CCOc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000432411980 500512879 /nfs/dbraw/zinc/51/28/79/500512879.db2.gz DDHXLFBFTCRNMF-CVEARBPZSA-N 2 1 365.474 3.145 20 5 FGBDMP [NH3+]CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])CC1CCCC1 ZINC000489856282 503049296 /nfs/dbraw/zinc/04/92/96/503049296.db2.gz JGHDILOXRMYBGQ-UHFFFAOYSA-N 2 1 368.865 3.028 20 5 FGBDMP [NH3+]CCC[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])CC1CCCC1 ZINC000489856282 503049297 /nfs/dbraw/zinc/04/92/97/503049297.db2.gz JGHDILOXRMYBGQ-UHFFFAOYSA-N 2 1 368.865 3.028 20 5 FGBDMP Cc1c(NC(=O)CC[NH+]2CCC(C)([NH+]3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000602952243 506364415 /nfs/dbraw/zinc/36/44/15/506364415.db2.gz SVHNNJZFWYPUJE-UHFFFAOYSA-N 2 1 374.485 3.182 20 5 FGBDMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000545159132 504380042 /nfs/dbraw/zinc/38/00/42/504380042.db2.gz UZOITLWRWLYFBJ-ACJLOTCBSA-N 2 1 361.467 3.041 20 5 FGBDMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000545159132 504380047 /nfs/dbraw/zinc/38/00/47/504380047.db2.gz UZOITLWRWLYFBJ-ACJLOTCBSA-N 2 1 361.467 3.041 20 5 FGBDMP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000595015453 507355204 /nfs/dbraw/zinc/35/52/04/507355204.db2.gz NHFFBWHLZCQKLO-OAHLLOKOSA-N 2 1 373.453 3.395 20 5 FGBDMP CC[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000595072182 507379922 /nfs/dbraw/zinc/37/99/22/507379922.db2.gz QIJRNWQSIXLGIM-RTWAWAEBSA-N 2 1 369.465 3.402 20 5 FGBDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809737126 725263832 /nfs/dbraw/zinc/26/38/32/725263832.db2.gz DTKTZVWFJJELOK-INIZCTEOSA-N 2 1 368.909 3.096 20 5 FGBDMP O=[N+]([O-])c1cccc(Br)c1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000843046392 730573800 /nfs/dbraw/zinc/57/38/00/730573800.db2.gz UADUWSYZUHHBLD-HNNXBMFYSA-N 2 1 368.275 3.321 20 5 FGBDMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC12CCOCC2 ZINC000580192286 505700563 /nfs/dbraw/zinc/70/05/63/505700563.db2.gz HXNSGMZBAQNQIU-OAHLLOKOSA-N 2 1 371.437 3.042 20 5 FGBDMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000072860041 494268204 /nfs/dbraw/zinc/26/82/04/494268204.db2.gz ODJDORQJYNTFKG-HNNXBMFYSA-N 2 1 358.442 3.066 20 5 FGBDMP CC[NH+](C)C[C@@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000072860041 494268210 /nfs/dbraw/zinc/26/82/10/494268210.db2.gz ODJDORQJYNTFKG-HNNXBMFYSA-N 2 1 358.442 3.066 20 5 FGBDMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000072860041 494268215 /nfs/dbraw/zinc/26/82/15/494268215.db2.gz ODJDORQJYNTFKG-HNNXBMFYSA-N 2 1 358.442 3.066 20 5 FGBDMP CCC[NH+]1CCC([N@@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000109788119 494918164 /nfs/dbraw/zinc/91/81/64/494918164.db2.gz ZJFKITSCEVGWPC-UHFFFAOYSA-N 2 1 362.474 3.038 20 5 FGBDMP Cc1c(NC(=O)CC[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000157234346 496433873 /nfs/dbraw/zinc/43/38/73/496433873.db2.gz OQQZKCBGKKSYOG-QGZVFWFLSA-N 2 1 374.485 3.182 20 5 FGBDMP Cc1ccc([C@@H](C)[NH2+]Cc2ccncc2OCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000290378303 498529752 /nfs/dbraw/zinc/52/97/52/498529752.db2.gz RRHRSOMWUHBMAG-MRXNPFEDSA-N 2 1 372.469 3.480 20 5 FGBDMP COc1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000311600234 498751671 /nfs/dbraw/zinc/75/16/71/498751671.db2.gz GPCLIDPGYVBQDM-QAPCUYQASA-N 2 1 355.438 3.356 20 5 FGBDMP CC[NH+]1CCC(N2CCC[N@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000421020091 500555576 /nfs/dbraw/zinc/55/55/76/500555576.db2.gz YWKKZJDJMUYHHI-KRWDZBQOSA-N 2 1 360.502 3.148 20 5 FGBDMP CC1(C)C[C@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000433294069 500663757 /nfs/dbraw/zinc/66/37/57/500663757.db2.gz JOBTWSBSHDEHNL-UFYCRDLUSA-N 2 1 373.497 3.285 20 5 FGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000541915466 504301286 /nfs/dbraw/zinc/30/12/86/504301286.db2.gz NEVYRDFTGVXIJJ-OXJNMPFZSA-N 2 1 369.465 3.321 20 5 FGBDMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000542000396 504330593 /nfs/dbraw/zinc/33/05/93/504330593.db2.gz HDKAWGGRCNCDMS-INIZCTEOSA-N 2 1 355.866 3.181 20 5 FGBDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000542000396 504330595 /nfs/dbraw/zinc/33/05/95/504330595.db2.gz HDKAWGGRCNCDMS-INIZCTEOSA-N 2 1 355.866 3.181 20 5 FGBDMP Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000542705566 504582617 /nfs/dbraw/zinc/58/26/17/504582617.db2.gz XLAGWZHJGNKZMF-SFHVURJKSA-N 2 1 374.510 3.043 20 5 FGBDMP Cc1ccc(C[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000521333500 504711928 /nfs/dbraw/zinc/71/19/28/504711928.db2.gz KBQOUNZATMQDMI-SFHVURJKSA-N 2 1 374.510 3.043 20 5 FGBDMP O=[N+]([O-])c1ccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c(Cl)c1 ZINC000566698584 505247281 /nfs/dbraw/zinc/24/72/81/505247281.db2.gz LNSRUJZFZXOMAI-UHFFFAOYSA-N 2 1 367.877 3.183 20 5 FGBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000595069821 507378370 /nfs/dbraw/zinc/37/83/70/507378370.db2.gz LDXPNUJPGIPLIT-OXQOHEQNSA-N 2 1 369.465 3.321 20 5 FGBDMP Cc1cc(N2CCC([NH2+][C@H](C)c3ccc([N+](=O)[O-])cc3)CC2)nc(C)[nH+]1 ZINC000178695753 496543091 /nfs/dbraw/zinc/54/30/91/496543091.db2.gz FOEZIRIREGCRKR-CQSZACIVSA-N 2 1 355.442 3.321 20 5 FGBDMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000182235984 496716308 /nfs/dbraw/zinc/71/63/08/496716308.db2.gz WFQNRNYCYHKWIJ-IIBYNOLFSA-N 2 1 369.465 3.402 20 5 FGBDMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000279000730 497298292 /nfs/dbraw/zinc/29/82/92/497298292.db2.gz FUTJYGMBEPHYFL-FQEVSTJZSA-N 2 1 374.529 3.325 20 5 FGBDMP COc1cc(CNC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c([N+](=O)[O-])cc1O ZINC000371723813 499359209 /nfs/dbraw/zinc/35/92/09/499359209.db2.gz NWAJNASUXRJJFU-MGPUTAFESA-N 2 1 371.437 3.092 20 5 FGBDMP O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414888060 499841851 /nfs/dbraw/zinc/84/18/51/499841851.db2.gz XONMABUGDUILPV-UYAOXDASSA-N 2 1 368.481 3.471 20 5 FGBDMP COc1ccc(-c2ccc(C[NH2+][C@H]3CC[NH2+]CC3(C)C)o2)c([N+](=O)[O-])c1 ZINC000414981467 499851197 /nfs/dbraw/zinc/85/11/97/499851197.db2.gz XORNSXJVUMNDCP-SFHVURJKSA-N 2 1 359.426 3.341 20 5 FGBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000449063888 500915382 /nfs/dbraw/zinc/91/53/82/500915382.db2.gz ROTQYOYZLNBADK-QGZVFWFLSA-N 2 1 369.465 3.148 20 5 FGBDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000481185685 502777654 /nfs/dbraw/zinc/77/76/54/502777654.db2.gz DWCKFVPCKWPESJ-PKOBYXMFSA-N 2 1 369.465 3.474 20 5 FGBDMP C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501047421 502921693 /nfs/dbraw/zinc/92/16/93/502921693.db2.gz SLWARVPWOWDLCK-UHFFFAOYSA-N 2 1 370.453 3.217 20 5 FGBDMP Cc1c([C@H](C)[NH2+]Cc2ccncc2OCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000567513760 505485698 /nfs/dbraw/zinc/48/56/98/505485698.db2.gz JYLADODXGLVAOQ-HNNXBMFYSA-N 2 1 358.442 3.089 20 5 FGBDMP CCC[NH+]1CCC(C[NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000611560704 507739825 /nfs/dbraw/zinc/73/98/25/507739825.db2.gz YCOQMGAJCKNXSP-LJQANCHMSA-N 2 1 371.485 3.129 20 5 FGBDMP C[NH2+]CCC1CC[NH+](Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000843057484 730575009 /nfs/dbraw/zinc/57/50/09/730575009.db2.gz OXDUJCRBVAENIF-UHFFFAOYSA-N 2 1 356.264 3.179 20 5 FGBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000173635575 495626003 /nfs/dbraw/zinc/62/60/03/495626003.db2.gz RKLIDUZMPCEJNZ-INIZCTEOSA-N 2 1 362.474 3.038 20 5 FGBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000173635575 495626008 /nfs/dbraw/zinc/62/60/08/495626008.db2.gz RKLIDUZMPCEJNZ-INIZCTEOSA-N 2 1 362.474 3.038 20 5 FGBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000173635575 495626011 /nfs/dbraw/zinc/62/60/11/495626011.db2.gz RKLIDUZMPCEJNZ-INIZCTEOSA-N 2 1 362.474 3.038 20 5 FGBDMP C[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185698448 495686643 /nfs/dbraw/zinc/68/66/43/495686643.db2.gz UXRXVIGGBBWXFS-JKSUJKDBSA-N 2 1 374.485 3.166 20 5 FGBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185712578 495693496 /nfs/dbraw/zinc/69/34/96/495693496.db2.gz GIBKEUCVJZWGMO-JKSUJKDBSA-N 2 1 374.485 3.084 20 5 FGBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185712578 495693500 /nfs/dbraw/zinc/69/35/00/495693500.db2.gz GIBKEUCVJZWGMO-JKSUJKDBSA-N 2 1 374.485 3.084 20 5 FGBDMP C[C@@H](CC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000184340868 496341268 /nfs/dbraw/zinc/34/12/68/496341268.db2.gz CKBKIYZZDYGUIM-INIZCTEOSA-N 2 1 371.485 3.349 20 5 FGBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245514348 497436552 /nfs/dbraw/zinc/43/65/52/497436552.db2.gz BSOWBSHKLIGASN-IEBWSBKVSA-N 2 1 360.502 3.066 20 5 FGBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245514348 497436554 /nfs/dbraw/zinc/43/65/54/497436554.db2.gz BSOWBSHKLIGASN-IEBWSBKVSA-N 2 1 360.502 3.066 20 5 FGBDMP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000246324870 497696198 /nfs/dbraw/zinc/69/61/98/497696198.db2.gz FQUOTRKVIVCPMB-SLFFLAALSA-N 2 1 361.486 3.403 20 5 FGBDMP C[NH+](C)[C@H]1CCC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000277098863 497741221 /nfs/dbraw/zinc/74/12/21/497741221.db2.gz GIKGYBCXBVALFN-INIZCTEOSA-N 2 1 358.442 3.208 20 5 FGBDMP CC[NH+]1CCN(C[C@H](C)CNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000302675674 498529135 /nfs/dbraw/zinc/52/91/35/498529135.db2.gz PTGUMIOXRDRALI-OAHLLOKOSA-N 2 1 371.485 3.137 20 5 FGBDMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000372353366 499424003 /nfs/dbraw/zinc/42/40/03/499424003.db2.gz FMKLXCASCXEVSG-COXVUDFISA-N 2 1 367.877 3.227 20 5 FGBDMP COc1ccc(C[NH2+]C[C@H]([NH3+])C(C)C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414793577 499831820 /nfs/dbraw/zinc/83/18/20/499831820.db2.gz KTPPMKCJBNEFIQ-SFHVURJKSA-N 2 1 373.453 3.255 20 5 FGBDMP COc1ccc(C[NH2+]C[C@@H]([NH3+])C(C)C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414793576 499832009 /nfs/dbraw/zinc/83/20/09/499832009.db2.gz KTPPMKCJBNEFIQ-GOSISDBHSA-N 2 1 373.453 3.255 20 5 FGBDMP O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c(F)c1 ZINC000415011971 499854750 /nfs/dbraw/zinc/85/47/50/499854750.db2.gz WSDJMENOYJKELV-MAUKXSAKSA-N 2 1 361.392 3.356 20 5 FGBDMP C[C@H]1C[C@H](N(C)Cc2ccc(Br)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000425428625 500103408 /nfs/dbraw/zinc/10/34/08/500103408.db2.gz XJPQQDHIGNVYLE-SMDDNHRTSA-N 2 1 356.264 3.272 20 5 FGBDMP CCOc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000432411981 500512629 /nfs/dbraw/zinc/51/26/29/500512629.db2.gz DDHXLFBFTCRNMF-HOTGVXAUSA-N 2 1 365.474 3.145 20 5 FGBDMP CCOc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000432411981 500512631 /nfs/dbraw/zinc/51/26/31/500512631.db2.gz DDHXLFBFTCRNMF-HOTGVXAUSA-N 2 1 365.474 3.145 20 5 FGBDMP C[C@H]1C[N@H+](CCC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCCO1 ZINC000432439164 500516810 /nfs/dbraw/zinc/51/68/10/500516810.db2.gz GAIYOQMSUVATCE-LPHOPBHVSA-N 2 1 361.486 3.006 20 5 FGBDMP C[C@H]1C[N@@H+](CCC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCCO1 ZINC000432439164 500516812 /nfs/dbraw/zinc/51/68/12/500516812.db2.gz GAIYOQMSUVATCE-LPHOPBHVSA-N 2 1 361.486 3.006 20 5 FGBDMP C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420960466 500542731 /nfs/dbraw/zinc/54/27/31/500542731.db2.gz HWNPBGXQPBWXGT-UHFFFAOYSA-N 2 1 369.465 3.102 20 5 FGBDMP C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420960466 500542733 /nfs/dbraw/zinc/54/27/33/500542733.db2.gz HWNPBGXQPBWXGT-UHFFFAOYSA-N 2 1 369.465 3.102 20 5 FGBDMP C[N@@H+](CCC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000447515253 500615132 /nfs/dbraw/zinc/61/51/32/500615132.db2.gz BLGDDEUHIDDHAZ-RBUKOAKNSA-N 2 1 371.485 3.387 20 5 FGBDMP Cc1ccc(N2CCC([NH2+][C@@H](C)Cc3ccccc3[N+](=O)[O-])CC2)[nH+]c1 ZINC000449163081 500938203 /nfs/dbraw/zinc/93/82/03/500938203.db2.gz LFHXXQJQBQKAHR-INIZCTEOSA-N 2 1 354.454 3.488 20 5 FGBDMP CC[NH+]1CCN(c2ccccc2C[N@H+](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000507175457 503244049 /nfs/dbraw/zinc/24/40/49/503244049.db2.gz VSBTWCLWTQWNNK-UHFFFAOYSA-N 2 1 368.481 3.369 20 5 FGBDMP CC[NH+]1CCN(c2ccccc2C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000507175457 503244054 /nfs/dbraw/zinc/24/40/54/503244054.db2.gz VSBTWCLWTQWNNK-UHFFFAOYSA-N 2 1 368.481 3.369 20 5 FGBDMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000493081504 503405092 /nfs/dbraw/zinc/40/50/92/503405092.db2.gz QRIAKLZQHACCAE-CQSZACIVSA-N 2 1 355.866 3.181 20 5 FGBDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000493081504 503405093 /nfs/dbraw/zinc/40/50/93/503405093.db2.gz QRIAKLZQHACCAE-CQSZACIVSA-N 2 1 355.866 3.181 20 5 FGBDMP Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000542705565 504582714 /nfs/dbraw/zinc/58/27/14/504582714.db2.gz XLAGWZHJGNKZMF-GOSISDBHSA-N 2 1 374.510 3.043 20 5 FGBDMP Cn1ccnc1[C@H](NCC[N@@H+](C)C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000560527800 505115788 /nfs/dbraw/zinc/11/57/88/505115788.db2.gz BUMILAWPSMHYKJ-LJQANCHMSA-N 2 1 371.485 3.272 20 5 FGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000588958206 506394175 /nfs/dbraw/zinc/39/41/75/506394175.db2.gz QCTFTFADRCOAPF-INIZCTEOSA-N 2 1 372.469 3.480 20 5 FGBDMP O=[N+]([O-])c1ccc(Cl)cc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000746670694 722613781 /nfs/dbraw/zinc/61/37/81/722613781.db2.gz ACNADLRKCIVADW-UHFFFAOYSA-N 2 1 367.877 3.325 20 5 FGBDMP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+]Cc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000069833328 494020963 /nfs/dbraw/zinc/02/09/63/494020963.db2.gz SZWPOYKJMDZFKX-CALCHBBNSA-N 2 1 369.465 3.494 20 5 FGBDMP COCC[N@H+](C)CCCC1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000122147913 494931639 /nfs/dbraw/zinc/93/16/39/494931639.db2.gz IAVCTWLNSIKXSN-UHFFFAOYSA-N 2 1 367.465 3.304 20 5 FGBDMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000122147913 494931642 /nfs/dbraw/zinc/93/16/42/494931642.db2.gz IAVCTWLNSIKXSN-UHFFFAOYSA-N 2 1 367.465 3.304 20 5 FGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182573724 495620670 /nfs/dbraw/zinc/62/06/70/495620670.db2.gz JZWGNSQQDCCKAK-KLYKLPNCSA-N 2 1 372.513 3.207 20 5 FGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182573724 495620674 /nfs/dbraw/zinc/62/06/74/495620674.db2.gz JZWGNSQQDCCKAK-KLYKLPNCSA-N 2 1 372.513 3.207 20 5 FGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182573724 495620680 /nfs/dbraw/zinc/62/06/80/495620680.db2.gz JZWGNSQQDCCKAK-KLYKLPNCSA-N 2 1 372.513 3.207 20 5 FGBDMP Cc1c([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000182260595 496722115 /nfs/dbraw/zinc/72/21/15/496722115.db2.gz QVBMEMZSQNZYDP-APWZRJJASA-N 2 1 369.465 3.321 20 5 FGBDMP Cc1cc(N2CC[NH+](Cc3cccnc3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302067026 498394227 /nfs/dbraw/zinc/39/42/27/498394227.db2.gz BAXCILQYCSKDSA-UHFFFAOYSA-N 2 1 363.421 3.169 20 5 FGBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000332157446 498582283 /nfs/dbraw/zinc/58/22/83/498582283.db2.gz XVBDHFPMMZDRRI-IXDOHACOSA-N 2 1 361.486 3.477 20 5 FGBDMP CC1CC[NH+](C[C@H]2CCC[N@H+](CCOc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000303039659 498643625 /nfs/dbraw/zinc/64/36/25/498643625.db2.gz RWTGJEAVCLCBBV-SFHVURJKSA-N 2 1 361.486 3.418 20 5 FGBDMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCOc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000303039659 498643631 /nfs/dbraw/zinc/64/36/31/498643631.db2.gz RWTGJEAVCLCBBV-SFHVURJKSA-N 2 1 361.486 3.418 20 5 FGBDMP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000366299043 498865346 /nfs/dbraw/zinc/86/53/46/498865346.db2.gz LVGWMMVTPQNSCM-UKBAYJJMSA-N 2 1 361.486 3.443 20 5 FGBDMP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000366299043 498865356 /nfs/dbraw/zinc/86/53/56/498865356.db2.gz LVGWMMVTPQNSCM-UKBAYJJMSA-N 2 1 361.486 3.443 20 5 FGBDMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000372353367 499423945 /nfs/dbraw/zinc/42/39/45/499423945.db2.gz FMKLXCASCXEVSG-KBRIMQKVSA-N 2 1 367.877 3.227 20 5 FGBDMP COc1ccc(C[NH2+]C2CC[NH2+]CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414795845 499832145 /nfs/dbraw/zinc/83/21/45/499832145.db2.gz XIUMMWZHCPJSFY-UHFFFAOYSA-N 2 1 371.437 3.024 20 5 FGBDMP CC1(C)C[C@H]([NH2+]CCC[NH2+]Cc2cccnc2)c2cc([N+](=O)[O-])ccc21 ZINC000423194248 500354140 /nfs/dbraw/zinc/35/41/40/500354140.db2.gz YQZMHGCFYREGSM-IBGZPJMESA-N 2 1 354.454 3.482 20 5 FGBDMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000482131830 501984529 /nfs/dbraw/zinc/98/45/29/501984529.db2.gz GTDFLSDEHCIHGR-JKSUJKDBSA-N 2 1 362.474 3.024 20 5 FGBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000468643839 502134684 /nfs/dbraw/zinc/13/46/84/502134684.db2.gz URRUYGWINUOHQZ-LGMDPLHJSA-N 2 1 359.470 3.233 20 5 FGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000540158709 503692592 /nfs/dbraw/zinc/69/25/92/503692592.db2.gz XCTUNJUOJKIBDU-YSSFQJQWSA-N 2 1 361.486 3.322 20 5 FGBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000541915468 504300378 /nfs/dbraw/zinc/30/03/78/504300378.db2.gz NEVYRDFTGVXIJJ-UZLBHIALSA-N 2 1 369.465 3.321 20 5 FGBDMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000539818358 504700346 /nfs/dbraw/zinc/70/03/46/504700346.db2.gz XEXNBUFTQKRCOM-BEFAXECRSA-N 2 1 371.485 3.300 20 5 FGBDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000539818358 504700349 /nfs/dbraw/zinc/70/03/49/504700349.db2.gz XEXNBUFTQKRCOM-BEFAXECRSA-N 2 1 371.485 3.300 20 5 FGBDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000539818358 504700351 /nfs/dbraw/zinc/70/03/51/504700351.db2.gz XEXNBUFTQKRCOM-BEFAXECRSA-N 2 1 371.485 3.300 20 5 FGBDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000539818358 504700354 /nfs/dbraw/zinc/70/03/54/504700354.db2.gz XEXNBUFTQKRCOM-BEFAXECRSA-N 2 1 371.485 3.300 20 5 FGBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000588958210 506393698 /nfs/dbraw/zinc/39/36/98/506393698.db2.gz QCTFTFADRCOAPF-MRXNPFEDSA-N 2 1 372.469 3.480 20 5 FGBDMP CC[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000595072183 507379406 /nfs/dbraw/zinc/37/94/06/507379406.db2.gz QIJRNWQSIXLGIM-SFTDATJTSA-N 2 1 369.465 3.402 20 5 FGBDMP CC[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000595072176 507380072 /nfs/dbraw/zinc/38/00/72/507380072.db2.gz QIJRNWQSIXLGIM-LEWJYISDSA-N 2 1 369.465 3.402 20 5 FGBDMP Cc1ccc([C@H](C)NC[C@@H](O)C[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000611404311 507664793 /nfs/dbraw/zinc/66/47/93/507664793.db2.gz GJTXKVPSVVEKBJ-QFBILLFUSA-N 2 1 357.454 3.047 20 5 FGBDMP Cc1ccc([C@H](C)[NH2+]C[C@@H](O)CN(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000611404311 507664797 /nfs/dbraw/zinc/66/47/97/507664797.db2.gz GJTXKVPSVVEKBJ-QFBILLFUSA-N 2 1 357.454 3.047 20 5 FGBDMP C[NH+]1CCC2(CC1)C[N@H+](Cc1ccc(-c3ccc([N+](=O)[O-])cc3)o1)CCO2 ZINC000592525579 507695118 /nfs/dbraw/zinc/69/51/18/507695118.db2.gz AALXKXSQUJRNAS-UHFFFAOYSA-N 2 1 371.437 3.151 20 5 FGBDMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc(-c3ccc([N+](=O)[O-])cc3)o1)CCO2 ZINC000592525579 507695123 /nfs/dbraw/zinc/69/51/23/507695123.db2.gz AALXKXSQUJRNAS-UHFFFAOYSA-N 2 1 371.437 3.151 20 5 FGBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000595905510 507735593 /nfs/dbraw/zinc/73/55/93/507735593.db2.gz UKGVBXPUNNGLFT-CRAIPNDOSA-N 2 1 362.474 3.071 20 5 FGBDMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000846226765 730937975 /nfs/dbraw/zinc/93/79/75/730937975.db2.gz BODXDOAZJSNPGG-PVAVHDDUSA-N 2 1 353.850 3.109 20 5 FGBDMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000846226765 730937977 /nfs/dbraw/zinc/93/79/77/730937977.db2.gz BODXDOAZJSNPGG-PVAVHDDUSA-N 2 1 353.850 3.109 20 5 FGBDMP CC[NH+](CC)C[C@@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000072823757 494258090 /nfs/dbraw/zinc/25/80/90/494258090.db2.gz LFTOJVNZTQMSRH-INIZCTEOSA-N 2 1 372.469 3.456 20 5 FGBDMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000072823757 494258093 /nfs/dbraw/zinc/25/80/93/494258093.db2.gz LFTOJVNZTQMSRH-INIZCTEOSA-N 2 1 372.469 3.456 20 5 FGBDMP C[C@@H]1C[C@H]([NH+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC[N@@H+]1C ZINC000123922121 495207726 /nfs/dbraw/zinc/20/77/26/495207726.db2.gz SALLDUSPIHDWCV-GDBMZVCRSA-N 2 1 358.442 3.207 20 5 FGBDMP C[C@@H]1C[C@H]([NH+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC[N@H+]1C ZINC000123922121 495207730 /nfs/dbraw/zinc/20/77/30/495207730.db2.gz SALLDUSPIHDWCV-GDBMZVCRSA-N 2 1 358.442 3.207 20 5 FGBDMP C[C@@H]1C[C@H]([N@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC[NH+]1C ZINC000123922121 495207735 /nfs/dbraw/zinc/20/77/35/495207735.db2.gz SALLDUSPIHDWCV-GDBMZVCRSA-N 2 1 358.442 3.207 20 5 FGBDMP C[C@@H]1C[C@H]([N@@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC[NH+]1C ZINC000123922121 495207740 /nfs/dbraw/zinc/20/77/40/495207740.db2.gz SALLDUSPIHDWCV-GDBMZVCRSA-N 2 1 358.442 3.207 20 5 FGBDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000105442578 495364527 /nfs/dbraw/zinc/36/45/27/495364527.db2.gz XKMRUQWMTWNXRN-LLVKDONJSA-N 2 1 354.357 3.127 20 5 FGBDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000183676115 496074029 /nfs/dbraw/zinc/07/40/29/496074029.db2.gz QAMMMBBRPWXAHO-XOBRGWDASA-N 2 1 366.421 3.473 20 5 FGBDMP Cc1c([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000182260619 496722368 /nfs/dbraw/zinc/72/23/68/496722368.db2.gz QVBMEMZSQNZYDP-LPHOPBHVSA-N 2 1 369.465 3.321 20 5 FGBDMP CC1(C)C[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000279144411 497348170 /nfs/dbraw/zinc/34/81/70/497348170.db2.gz SDAWWEMVHZSHKP-YWZLYKJASA-N 2 1 373.497 3.408 20 5 FGBDMP CC[N@@H+](C)Cc1cccc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000575040100 505909839 /nfs/dbraw/zinc/90/98/39/505909839.db2.gz KIBMBANRIWJBNO-UHFFFAOYSA-N 2 1 370.453 3.165 20 5 FGBDMP O=[N+]([O-])c1ccc(OC(F)F)c(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000578506712 505956638 /nfs/dbraw/zinc/95/66/38/505956638.db2.gz WRFFAPMDFZFHOG-CYBMUJFWSA-N 2 1 355.385 3.018 20 5 FGBDMP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000372045502 499392591 /nfs/dbraw/zinc/39/25/91/499392591.db2.gz DGFWTSWHXDASDF-NOCIGQNYSA-N 2 1 361.486 3.443 20 5 FGBDMP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000372045502 499392593 /nfs/dbraw/zinc/39/25/93/499392593.db2.gz DGFWTSWHXDASDF-NOCIGQNYSA-N 2 1 361.486 3.443 20 5 FGBDMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447561750 500625205 /nfs/dbraw/zinc/62/52/05/500625205.db2.gz JISVAFCIYXSXGZ-XDNAFOTISA-N 2 1 363.506 3.233 20 5 FGBDMP Cc1cc(N2CCC([NH2+][C@@H](C)Cc3ccccc3[N+](=O)[O-])CC2)nc(C)[nH+]1 ZINC000449228645 500952801 /nfs/dbraw/zinc/95/28/01/500952801.db2.gz ZSKQPASBRPEZOW-AWEZNQCLSA-N 2 1 369.469 3.191 20 5 FGBDMP COc1c[nH+]ccc1N1CC[NH+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000483213481 502315305 /nfs/dbraw/zinc/31/53/05/502315305.db2.gz VHYYYISVKXBMHR-HNNXBMFYSA-N 2 1 356.426 3.190 20 5 FGBDMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000481187281 502777492 /nfs/dbraw/zinc/77/74/92/502777492.db2.gz IUFIXSCCTOHWRF-LAUBAEHRSA-N 2 1 369.465 3.474 20 5 FGBDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000481187281 502777497 /nfs/dbraw/zinc/77/74/97/502777497.db2.gz IUFIXSCCTOHWRF-LAUBAEHRSA-N 2 1 369.465 3.474 20 5 FGBDMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])[C@H](C)C1 ZINC000516193215 503467093 /nfs/dbraw/zinc/46/70/93/503467093.db2.gz IAGJKJVYTLLJGD-MNEFBYGVSA-N 2 1 361.486 3.309 20 5 FGBDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])[C@H](C)C1 ZINC000516193215 503467097 /nfs/dbraw/zinc/46/70/97/503467097.db2.gz IAGJKJVYTLLJGD-MNEFBYGVSA-N 2 1 361.486 3.309 20 5 FGBDMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000532988508 503690342 /nfs/dbraw/zinc/69/03/42/503690342.db2.gz XWFZAIAEZIWYAK-HOCLYGCPSA-N 2 1 362.474 3.036 20 5 FGBDMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000532988508 503690349 /nfs/dbraw/zinc/69/03/49/503690349.db2.gz XWFZAIAEZIWYAK-HOCLYGCPSA-N 2 1 362.474 3.036 20 5 FGBDMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000532988508 503690354 /nfs/dbraw/zinc/69/03/54/503690354.db2.gz XWFZAIAEZIWYAK-HOCLYGCPSA-N 2 1 362.474 3.036 20 5 FGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000541915465 504300866 /nfs/dbraw/zinc/30/08/66/504300866.db2.gz NEVYRDFTGVXIJJ-JXFKEZNVSA-N 2 1 369.465 3.321 20 5 FGBDMP C[NH2+]Cc1ccccc1C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000593319353 506537405 /nfs/dbraw/zinc/53/74/05/506537405.db2.gz WDONYWCCAQYUOJ-UHFFFAOYSA-N 2 1 351.353 3.205 20 5 FGBDMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000595065316 507374927 /nfs/dbraw/zinc/37/49/27/507374927.db2.gz AACYOYWIKRVWKM-YWZLYKJASA-N 2 1 355.438 3.012 20 5 FGBDMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@H](C)C1 ZINC000081096513 493831413 /nfs/dbraw/zinc/83/14/13/493831413.db2.gz GLFGDYVXHOLSAW-CRAIPNDOSA-N 2 1 372.469 3.454 20 5 FGBDMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@H](C)C1 ZINC000081096513 493831418 /nfs/dbraw/zinc/83/14/18/493831418.db2.gz GLFGDYVXHOLSAW-CRAIPNDOSA-N 2 1 372.469 3.454 20 5 FGBDMP CC[NH+]1CC[C@@H]([N@@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@H](C)C1 ZINC000081096513 493831425 /nfs/dbraw/zinc/83/14/25/493831425.db2.gz GLFGDYVXHOLSAW-CRAIPNDOSA-N 2 1 372.469 3.454 20 5 FGBDMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000093692778 494914109 /nfs/dbraw/zinc/91/41/09/494914109.db2.gz TZFRSNUNCUFHBO-MRXNPFEDSA-N 2 1 371.485 3.159 20 5 FGBDMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000093692778 494914113 /nfs/dbraw/zinc/91/41/13/494914113.db2.gz TZFRSNUNCUFHBO-MRXNPFEDSA-N 2 1 371.485 3.159 20 5 FGBDMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000248450945 497016363 /nfs/dbraw/zinc/01/63/63/497016363.db2.gz PFVJBDDLJSNCSX-RTWAWAEBSA-N 2 1 369.465 3.402 20 5 FGBDMP C[C@@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000290154921 498446544 /nfs/dbraw/zinc/44/65/44/498446544.db2.gz CWLKSHOAZUADBG-OAHLLOKOSA-N 2 1 358.442 3.171 20 5 FGBDMP CC(C)[N@@H+]1CCc2nc(C[NH2+]CCc3ccc([N+](=O)[O-])cc3)sc2C1 ZINC000368173918 499271497 /nfs/dbraw/zinc/27/14/97/499271497.db2.gz OKZVJKOPMHDFRB-UHFFFAOYSA-N 2 1 360.483 3.150 20 5 FGBDMP C[C@H]([NH2+]CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000372056669 499394054 /nfs/dbraw/zinc/39/40/54/499394054.db2.gz UEOBTHXKCWYUIW-KRWDZBQOSA-N 3 1 374.529 3.442 20 5 FGBDMP O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414888057 499841830 /nfs/dbraw/zinc/84/18/30/499841830.db2.gz XONMABUGDUILPV-QUCCMNQESA-N 2 1 368.481 3.471 20 5 FGBDMP CC1(C)C[C@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c2cc([N+](=O)[O-])ccc21 ZINC000433126067 500631417 /nfs/dbraw/zinc/63/14/17/500631417.db2.gz MYAIBKFKCYCTFQ-APWZRJJASA-N 2 1 361.486 3.144 20 5 FGBDMP Cc1cccc(N2CCC([NH2+][C@@H](C)Cc3ccccc3[N+](=O)[O-])CC2)[nH+]1 ZINC000449137773 500933583 /nfs/dbraw/zinc/93/35/83/500933583.db2.gz AFWZWVZEQWSUGP-INIZCTEOSA-N 2 1 354.454 3.488 20 5 FGBDMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C[C@@H]21 ZINC000435380294 500963986 /nfs/dbraw/zinc/96/39/86/500963986.db2.gz NDUPTKWQYJCYFA-XOKHGSTOSA-N 2 1 358.467 3.278 20 5 FGBDMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C[C@@H]21 ZINC000435380294 500963988 /nfs/dbraw/zinc/96/39/88/500963988.db2.gz NDUPTKWQYJCYFA-XOKHGSTOSA-N 2 1 358.467 3.278 20 5 FGBDMP O=[N+]([O-])c1ccc(CC[N@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000471026074 501895141 /nfs/dbraw/zinc/89/51/41/501895141.db2.gz SYCWMSWIXKXZQG-BGYRXZFFSA-N 2 1 351.450 3.201 20 5 FGBDMP O=[N+]([O-])c1ccc(CC[N@@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000471026074 501895146 /nfs/dbraw/zinc/89/51/46/501895146.db2.gz SYCWMSWIXKXZQG-BGYRXZFFSA-N 2 1 351.450 3.201 20 5 FGBDMP O=[N+]([O-])c1ccc(CC[NH+]2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000471026074 501895149 /nfs/dbraw/zinc/89/51/49/501895149.db2.gz SYCWMSWIXKXZQG-BGYRXZFFSA-N 2 1 351.450 3.201 20 5 FGBDMP O=[N+]([O-])c1ccc(CC[NH+]2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000471026074 501895153 /nfs/dbraw/zinc/89/51/53/501895153.db2.gz SYCWMSWIXKXZQG-BGYRXZFFSA-N 2 1 351.450 3.201 20 5 FGBDMP Cc1ncc([N+](=O)[O-])n1CC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000602782208 506295930 /nfs/dbraw/zinc/29/59/30/506295930.db2.gz VYBIZPYXHPNZCG-QFBILLFUSA-N 2 1 371.485 3.085 20 5 FGBDMP Cc1ncc([N+](=O)[O-])n1CC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000602782208 506295939 /nfs/dbraw/zinc/29/59/39/506295939.db2.gz VYBIZPYXHPNZCG-QFBILLFUSA-N 2 1 371.485 3.085 20 5 FGBDMP Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000602782208 506295942 /nfs/dbraw/zinc/29/59/42/506295942.db2.gz VYBIZPYXHPNZCG-QFBILLFUSA-N 2 1 371.485 3.085 20 5 FGBDMP Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000602782208 506295951 /nfs/dbraw/zinc/29/59/51/506295951.db2.gz VYBIZPYXHPNZCG-QFBILLFUSA-N 2 1 371.485 3.085 20 5 FGBDMP O=[N+]([O-])c1ccc(OC(F)F)c(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000470013976 502630204 /nfs/dbraw/zinc/63/02/04/502630204.db2.gz SZJUMWXEXXJDTH-OAHLLOKOSA-N 2 1 355.385 3.160 20 5 FGBDMP Cc1cc(N2CCC([NH2+][C@H]3CCc4c3cccc4[N+](=O)[O-])CC2)nc(C)[nH+]1 ZINC000520837742 504594201 /nfs/dbraw/zinc/59/42/01/504594201.db2.gz FWZOWQPAPHKRIM-SFHVURJKSA-N 2 1 367.453 3.248 20 5 FGBDMP O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)o2)c1 ZINC000521442401 504738923 /nfs/dbraw/zinc/73/89/23/504738923.db2.gz DAFYMHVGTAURFJ-IRXDYDNUSA-N 2 1 370.453 3.114 20 5 FGBDMP CC(C)c1ccc(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000589195409 506479014 /nfs/dbraw/zinc/47/90/14/506479014.db2.gz UKUXXNQIIDQLMX-UHFFFAOYSA-N 2 1 362.518 3.176 20 5 FGBDMP CC(C)c1ccc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000589195409 506479015 /nfs/dbraw/zinc/47/90/15/506479015.db2.gz UKUXXNQIIDQLMX-UHFFFAOYSA-N 2 1 362.518 3.176 20 5 FGBDMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000595073990 507379167 /nfs/dbraw/zinc/37/91/67/507379167.db2.gz UKDCQOBEYINLBH-FOIQADDNSA-N 2 1 355.438 3.012 20 5 FGBDMP C[NH+]1CCC(Oc2ccc(C[NH2+]Cc3ccc([N+](=O)[O-])cc3F)cc2)CC1 ZINC000585743557 507612443 /nfs/dbraw/zinc/61/24/43/507612443.db2.gz UXHFISATFDBONH-UHFFFAOYSA-N 2 1 373.428 3.497 20 5 FGBDMP CC[C@@H]1C[N@@H+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)CC[C@@H]1[NH3+] ZINC000592427739 507654143 /nfs/dbraw/zinc/65/41/43/507654143.db2.gz WYKUJWCHYNPNQU-DYVFJYSZSA-N 2 1 359.426 3.423 20 5 FGBDMP CC[C@@H]1C[N@@H+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)CC[C@H]1[NH3+] ZINC000592427738 507654231 /nfs/dbraw/zinc/65/42/31/507654231.db2.gz WYKUJWCHYNPNQU-CXAGYDPISA-N 2 1 359.426 3.423 20 5 FGBDMP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)c1 ZINC000602543329 507744972 /nfs/dbraw/zinc/74/49/72/507744972.db2.gz BEHYUFQTNGXWMX-UHFFFAOYSA-N 2 1 354.410 3.478 20 5 FGBDMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)c1 ZINC000602543329 507744977 /nfs/dbraw/zinc/74/49/77/507744977.db2.gz BEHYUFQTNGXWMX-UHFFFAOYSA-N 2 1 354.410 3.478 20 5 FGBDMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000248446430 497013911 /nfs/dbraw/zinc/01/39/11/497013911.db2.gz MYKMRCRZJJWLFZ-IERDGZPVSA-N 2 1 369.465 3.402 20 5 FGBDMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000248460116 497019179 /nfs/dbraw/zinc/01/91/79/497019179.db2.gz WFQNRNYCYHKWIJ-KKSFZXQISA-N 2 1 369.465 3.402 20 5 FGBDMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000248826489 497111964 /nfs/dbraw/zinc/11/19/64/497111964.db2.gz GKQNOWKQTVQMMI-YRNRMSPPSA-N 2 1 361.486 3.451 20 5 FGBDMP C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000246312317 497692832 /nfs/dbraw/zinc/69/28/32/497692832.db2.gz QTILUIZYMKOEBG-WIYYLYMNSA-N 2 1 369.465 3.082 20 5 FGBDMP C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000246312317 497692833 /nfs/dbraw/zinc/69/28/33/497692833.db2.gz QTILUIZYMKOEBG-WIYYLYMNSA-N 2 1 369.465 3.082 20 5 FGBDMP C[NH+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000246312317 497692835 /nfs/dbraw/zinc/69/28/35/497692835.db2.gz QTILUIZYMKOEBG-WIYYLYMNSA-N 2 1 369.465 3.082 20 5 FGBDMP C[NH+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000246312317 497692837 /nfs/dbraw/zinc/69/28/37/497692837.db2.gz QTILUIZYMKOEBG-WIYYLYMNSA-N 2 1 369.465 3.082 20 5 FGBDMP C[N@H+]1CCC[C@@H]2C[NH+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CC[C@H]21 ZINC000246616749 497789871 /nfs/dbraw/zinc/78/98/71/497789871.db2.gz DVULARUEPARHST-SJLPKXTDSA-N 2 1 370.453 3.208 20 5 FGBDMP C[NH+]1CCC[C@@H]2C[N@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CC[C@H]21 ZINC000246616749 497789875 /nfs/dbraw/zinc/78/98/75/497789875.db2.gz DVULARUEPARHST-SJLPKXTDSA-N 2 1 370.453 3.208 20 5 FGBDMP C[NH+]1CCC[C@@H]2C[N@@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CC[C@H]21 ZINC000246616749 497789878 /nfs/dbraw/zinc/78/98/78/497789878.db2.gz DVULARUEPARHST-SJLPKXTDSA-N 2 1 370.453 3.208 20 5 FGBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000332403945 498679246 /nfs/dbraw/zinc/67/92/46/498679246.db2.gz WEWISXFNZGXJIL-DLBZAZTESA-N 2 1 360.502 3.065 20 5 FGBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000332403945 498679252 /nfs/dbraw/zinc/67/92/52/498679252.db2.gz WEWISXFNZGXJIL-DLBZAZTESA-N 2 1 360.502 3.065 20 5 FGBDMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000372353369 499423987 /nfs/dbraw/zinc/42/39/87/499423987.db2.gz FMKLXCASCXEVSG-XYPHTWIQSA-N 2 1 367.877 3.227 20 5 FGBDMP COc1ccc(-c2ccc(C[N@H+]3CC[C@@H](C)[C@@H](C[NH3+])C3)o2)c([N+](=O)[O-])c1 ZINC000415123742 499866736 /nfs/dbraw/zinc/86/67/36/499866736.db2.gz JOOSXNRBHGMQOI-KGLIPLIRSA-N 2 1 359.426 3.280 20 5 FGBDMP C[C@H]1C[N@H+](CCC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCCO1 ZINC000432439165 500516841 /nfs/dbraw/zinc/51/68/41/500516841.db2.gz GAIYOQMSUVATCE-QFBILLFUSA-N 2 1 361.486 3.006 20 5 FGBDMP C[C@H]1C[N@@H+](CCC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCCO1 ZINC000432439165 500516842 /nfs/dbraw/zinc/51/68/42/500516842.db2.gz GAIYOQMSUVATCE-QFBILLFUSA-N 2 1 361.486 3.006 20 5 FGBDMP Cn1ccnc1[C@@H]([NH2+]CCCCC[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000556233277 504824114 /nfs/dbraw/zinc/82/41/14/504824114.db2.gz OFFQULYYEMJYHM-IBGZPJMESA-N 2 1 371.485 3.273 20 5 FGBDMP CC(C)c1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1[N+](=O)[O-] ZINC000593314319 506532537 /nfs/dbraw/zinc/53/25/37/506532537.db2.gz CGFUATOOQSXZKW-ABSDTBQOSA-N 2 1 361.486 3.437 20 5 FGBDMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000593729429 506750547 /nfs/dbraw/zinc/75/05/47/506750547.db2.gz DSWPBRWRIUFROZ-VYDXJSESSA-N 2 1 353.850 3.109 20 5 FGBDMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000593729429 506750552 /nfs/dbraw/zinc/75/05/52/506750552.db2.gz DSWPBRWRIUFROZ-VYDXJSESSA-N 2 1 353.850 3.109 20 5 FGBDMP O=[N+]([O-])c1ccc(OC(F)F)c(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c1 ZINC000594736060 507261179 /nfs/dbraw/zinc/26/11/79/507261179.db2.gz OMWRSRJONCSNBJ-AWEZNQCLSA-N 2 1 369.412 3.408 20 5 FGBDMP CCC[NH+]1CCC(C[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000611560610 507739568 /nfs/dbraw/zinc/73/95/68/507739568.db2.gz CDRLIRCBRVQYPX-IBGZPJMESA-N 2 1 371.485 3.129 20 5 FGBDMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000130860003 495457087 /nfs/dbraw/zinc/45/70/87/495457087.db2.gz WZPSQGLPLSRBDQ-ZDUSSCGKSA-N 2 1 370.413 3.233 20 5 FGBDMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000130860003 495457092 /nfs/dbraw/zinc/45/70/92/495457092.db2.gz WZPSQGLPLSRBDQ-ZDUSSCGKSA-N 2 1 370.413 3.233 20 5 FGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000572678000 506027203 /nfs/dbraw/zinc/02/72/03/506027203.db2.gz DYUHEEKHGWMIDU-HNNXBMFYSA-N 2 1 358.442 3.089 20 5 FGBDMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000290496907 498574074 /nfs/dbraw/zinc/57/40/74/498574074.db2.gz OYPVVUGMZRXHBT-UHFFFAOYSA-N 2 1 368.441 3.022 20 5 FGBDMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000290496907 498574079 /nfs/dbraw/zinc/57/40/79/498574079.db2.gz OYPVVUGMZRXHBT-UHFFFAOYSA-N 2 1 368.441 3.022 20 5 FGBDMP C[NH+]1CCC(Oc2ccc(C[NH2+]Cc3csc([N+](=O)[O-])c3)cc2)CC1 ZINC000284180881 499064157 /nfs/dbraw/zinc/06/41/57/499064157.db2.gz XQEJMIRPUCEGQB-UHFFFAOYSA-N 2 1 361.467 3.419 20 5 FGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000368593585 499311773 /nfs/dbraw/zinc/31/17/73/499311773.db2.gz UAERHHSYJGAGAK-PKOBYXMFSA-N 2 1 360.502 3.065 20 5 FGBDMP O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414784558 499830820 /nfs/dbraw/zinc/83/08/20/499830820.db2.gz RLALXGZVHDMBDY-OLZOCXBDSA-N 2 1 355.385 3.018 20 5 FGBDMP COc1cc(C[NH2+]C[C@@H]([NH3+])C(C)C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414796657 499832074 /nfs/dbraw/zinc/83/20/74/499832074.db2.gz OKCQKZCIQLOSCX-GOSISDBHSA-N 2 1 373.453 3.255 20 5 FGBDMP CC[C@H]([NH3+])C[NH2+]Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000414973737 499850533 /nfs/dbraw/zinc/85/05/33/499850533.db2.gz CMWLNALLAKBCOO-INIZCTEOSA-N 2 1 359.426 3.009 20 5 FGBDMP COc1ccc(-c2ccc(C[N@@H+]3CC[C@]4(CC[NH+](C)C4)C3)o2)c([N+](=O)[O-])c1 ZINC000430115193 500194959 /nfs/dbraw/zinc/19/49/59/500194959.db2.gz FVAJWECFBAJOSI-FQEVSTJZSA-N 2 1 371.437 3.391 20 5 FGBDMP COc1ccc(-c2ccc(C[N@H+]3CC[C@]4(CC[NH+](C)C4)C3)o2)c([N+](=O)[O-])c1 ZINC000430115193 500194960 /nfs/dbraw/zinc/19/49/60/500194960.db2.gz FVAJWECFBAJOSI-FQEVSTJZSA-N 2 1 371.437 3.391 20 5 FGBDMP COc1ccc(-c2ccc(C[NH+]3CC[C@]4(CC[N@H+](C)C4)C3)o2)c([N+](=O)[O-])c1 ZINC000430115193 500194961 /nfs/dbraw/zinc/19/49/61/500194961.db2.gz FVAJWECFBAJOSI-FQEVSTJZSA-N 2 1 371.437 3.391 20 5 FGBDMP COc1ccc(-c2ccc(C[NH+]3CC[C@]4(CC[N@@H+](C)C4)C3)o2)c([N+](=O)[O-])c1 ZINC000430115193 500194962 /nfs/dbraw/zinc/19/49/62/500194962.db2.gz FVAJWECFBAJOSI-FQEVSTJZSA-N 2 1 371.437 3.391 20 5 FGBDMP CCC[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1CC[NH2+]CC1 ZINC000431074515 500331783 /nfs/dbraw/zinc/33/17/83/500331783.db2.gz VFEJKQFDQRTJDY-UHFFFAOYSA-N 2 1 358.442 3.256 20 5 FGBDMP O=[N+]([O-])c1ccc(OCC[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435613292 501001847 /nfs/dbraw/zinc/00/18/47/501001847.db2.gz AUYZOSVJOMOKKI-GOSISDBHSA-N 2 1 370.453 3.013 20 5 FGBDMP O=[N+]([O-])c1ccc(OCC[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435613292 501001850 /nfs/dbraw/zinc/00/18/50/501001850.db2.gz AUYZOSVJOMOKKI-GOSISDBHSA-N 2 1 370.453 3.013 20 5 FGBDMP O=[N+]([O-])c1cccc(OCC[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)c1 ZINC000435619813 501003326 /nfs/dbraw/zinc/00/33/26/501003326.db2.gz WROWDJIFBHESNR-GOSISDBHSA-N 2 1 370.453 3.013 20 5 FGBDMP O=[N+]([O-])c1cccc(OCC[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)c1 ZINC000435619813 501003328 /nfs/dbraw/zinc/00/33/28/501003328.db2.gz WROWDJIFBHESNR-GOSISDBHSA-N 2 1 370.453 3.013 20 5 FGBDMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000451547674 501320008 /nfs/dbraw/zinc/32/00/08/501320008.db2.gz LMCQRSATNVHSBL-FQEVSTJZSA-N 2 1 374.529 3.190 20 5 FGBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000468749358 502169663 /nfs/dbraw/zinc/16/96/63/502169663.db2.gz LEMVTTLSCGAUOZ-LGMDPLHJSA-N 2 1 361.486 3.477 20 5 FGBDMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000481187284 502777236 /nfs/dbraw/zinc/77/72/36/502777236.db2.gz IUFIXSCCTOHWRF-UWJYYQICSA-N 2 1 369.465 3.474 20 5 FGBDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000481187284 502777239 /nfs/dbraw/zinc/77/72/39/502777239.db2.gz IUFIXSCCTOHWRF-UWJYYQICSA-N 2 1 369.465 3.474 20 5 FGBDMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000532988507 503690083 /nfs/dbraw/zinc/69/00/83/503690083.db2.gz XWFZAIAEZIWYAK-GOEBONIOSA-N 2 1 362.474 3.036 20 5 FGBDMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000532988507 503690089 /nfs/dbraw/zinc/69/00/89/503690089.db2.gz XWFZAIAEZIWYAK-GOEBONIOSA-N 2 1 362.474 3.036 20 5 FGBDMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000532988507 503690098 /nfs/dbraw/zinc/69/00/98/503690098.db2.gz XWFZAIAEZIWYAK-GOEBONIOSA-N 2 1 362.474 3.036 20 5 FGBDMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000545159134 504379506 /nfs/dbraw/zinc/37/95/06/504379506.db2.gz UZOITLWRWLYFBJ-SCLBCKFNSA-N 2 1 361.467 3.041 20 5 FGBDMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000545159134 504379511 /nfs/dbraw/zinc/37/95/11/504379511.db2.gz UZOITLWRWLYFBJ-SCLBCKFNSA-N 2 1 361.467 3.041 20 5 FGBDMP Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1[N+](=O)[O-] ZINC000595068554 507377952 /nfs/dbraw/zinc/37/79/52/507377952.db2.gz JAYYBAXXSDXJEY-OXQOHEQNSA-N 2 1 369.465 3.321 20 5 FGBDMP Cc1[nH+]ccn1CCC[N@@H+](C)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774638180 723913284 /nfs/dbraw/zinc/91/32/84/723913284.db2.gz DZJSMSWMNIBNQZ-UHFFFAOYSA-N 2 1 362.821 3.082 20 5 FGBDMP Cc1[nH+]ccn1CCC[N@H+](C)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774638180 723913288 /nfs/dbraw/zinc/91/32/88/723913288.db2.gz DZJSMSWMNIBNQZ-UHFFFAOYSA-N 2 1 362.821 3.082 20 5 FGBDMP Cc1c(NC(=O)CC[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cccc1[N+](=O)[O-] ZINC000072725294 494241497 /nfs/dbraw/zinc/24/14/97/494241497.db2.gz ZAKWUGZHEDQMNU-INIZCTEOSA-N 2 1 362.474 3.038 20 5 FGBDMP Cc1c(NC(=O)CC[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000072725294 494241501 /nfs/dbraw/zinc/24/15/01/494241501.db2.gz ZAKWUGZHEDQMNU-INIZCTEOSA-N 2 1 362.474 3.038 20 5 FGBDMP Cc1c(NC(=O)CC[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cccc1[N+](=O)[O-] ZINC000072725294 494241506 /nfs/dbraw/zinc/24/15/06/494241506.db2.gz ZAKWUGZHEDQMNU-INIZCTEOSA-N 2 1 362.474 3.038 20 5 FGBDMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000093741923 494916348 /nfs/dbraw/zinc/91/63/48/494916348.db2.gz IFEVTBPBRKRROD-INIZCTEOSA-N 2 1 371.485 3.159 20 5 FGBDMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000093741923 494916351 /nfs/dbraw/zinc/91/63/51/494916351.db2.gz IFEVTBPBRKRROD-INIZCTEOSA-N 2 1 371.485 3.159 20 5 FGBDMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000093741923 494916355 /nfs/dbraw/zinc/91/63/55/494916355.db2.gz IFEVTBPBRKRROD-INIZCTEOSA-N 2 1 371.485 3.159 20 5 FGBDMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000093741923 494916358 /nfs/dbraw/zinc/91/63/58/494916358.db2.gz IFEVTBPBRKRROD-INIZCTEOSA-N 2 1 371.485 3.159 20 5 FGBDMP CN(c1ccccc1C[NH2+]Cc1ccccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000133061987 494963192 /nfs/dbraw/zinc/96/31/92/494963192.db2.gz HQNDDWAMGWUWIA-UHFFFAOYSA-N 2 1 368.481 3.415 20 5 FGBDMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)C[C@H](C)O1 ZINC000177501758 496088008 /nfs/dbraw/zinc/08/80/08/496088008.db2.gz CSEYQLZDQLNTOJ-CALCHBBNSA-N 2 1 361.486 3.306 20 5 FGBDMP Cn1cc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237901981 497311243 /nfs/dbraw/zinc/31/12/43/497311243.db2.gz HUSLUQHYKNAONK-UHFFFAOYSA-N 2 1 371.485 3.348 20 5 FGBDMP C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000312558339 498760152 /nfs/dbraw/zinc/76/01/52/498760152.db2.gz SMDNXBVQQXWOLQ-PKOBYXMFSA-N 2 1 369.465 3.474 20 5 FGBDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000398005742 499565628 /nfs/dbraw/zinc/56/56/28/499565628.db2.gz YUWXETSWLPGYAH-DYESRHJHSA-N 2 1 369.465 3.474 20 5 FGBDMP COc1ccc(-c2ccc(C[NH2+][C@@H](C)[C@H]3CCC[NH2+]C3)o2)c([N+](=O)[O-])c1 ZINC000414853045 499838384 /nfs/dbraw/zinc/83/83/84/499838384.db2.gz KOFULAHFGNBZLA-KBPBESRZSA-N 2 1 359.426 3.341 20 5 FGBDMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000417336405 500043663 /nfs/dbraw/zinc/04/36/63/500043663.db2.gz VEOGWWUBXKFSQW-UZLBHIALSA-N 2 1 361.486 3.453 20 5 FGBDMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447535124 500619288 /nfs/dbraw/zinc/61/92/88/500619288.db2.gz CVFAEMQAJVTOMH-KZNAEPCWSA-N 2 1 363.506 3.377 20 5 FGBDMP C[C@H]1C[N@H+](CCC[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000433093922 500624625 /nfs/dbraw/zinc/62/46/25/500624625.db2.gz WNFKIXLOJLTODW-HNAYVOBHSA-N 2 1 361.486 3.408 20 5 FGBDMP C[C@H]1C[N@@H+](CCC[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000433093922 500624626 /nfs/dbraw/zinc/62/46/26/500624626.db2.gz WNFKIXLOJLTODW-HNAYVOBHSA-N 2 1 361.486 3.408 20 5 FGBDMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447561754 500624997 /nfs/dbraw/zinc/62/49/97/500624997.db2.gz JISVAFCIYXSXGZ-XWTMOSNGSA-N 2 1 363.506 3.233 20 5 FGBDMP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596094824 506255366 /nfs/dbraw/zinc/25/53/66/506255366.db2.gz MPGMRFXQGAINHL-DOTOQJQBSA-N 2 1 374.485 3.024 20 5 FGBDMP Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000602782618 506297243 /nfs/dbraw/zinc/29/72/43/506297243.db2.gz DWCHFSJSYHKVPA-INIZCTEOSA-N 2 1 363.506 3.076 20 5 FGBDMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000593319905 506537351 /nfs/dbraw/zinc/53/73/51/506537351.db2.gz FYBCUMZSXMOLMR-XOKHGSTOSA-N 2 1 353.850 3.109 20 5 FGBDMP C[N@@H+](Cc1cc(Br)c([N+](=O)[O-])s1)CC1CC[NH+](C)CC1 ZINC000602461237 507717566 /nfs/dbraw/zinc/71/75/66/507717566.db2.gz DWEUICBAXUDDJQ-UHFFFAOYSA-N 2 1 362.293 3.192 20 5 FGBDMP C[N@H+](Cc1cc(Br)c([N+](=O)[O-])s1)CC1CC[NH+](C)CC1 ZINC000602461237 507717571 /nfs/dbraw/zinc/71/75/71/507717571.db2.gz DWEUICBAXUDDJQ-UHFFFAOYSA-N 2 1 362.293 3.192 20 5 FGBDMP