smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)Cc1ccccc1Cl ZINC000006947999 204283639 /nfs/dbraw/zinc/28/36/39/204283639.db2.gz QZVLFCKXNRGJJV-UHFFFAOYSA-N 1 2 363.801 3.327 50 5 FGBALO COc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)Cc1ccccc1Cl ZINC000006947999 204283641 /nfs/dbraw/zinc/28/36/41/204283641.db2.gz QZVLFCKXNRGJJV-UHFFFAOYSA-N 1 2 363.801 3.327 50 5 FGBALO C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1ccc2c(c1)OCO2 ZINC000047406665 206080401 /nfs/dbraw/zinc/08/04/01/206080401.db2.gz ZVCGCMNJSVJQBJ-UHFFFAOYSA-N 1 2 368.349 3.006 50 5 FGBALO C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1ccc2c(c1)OCO2 ZINC000047406665 206080407 /nfs/dbraw/zinc/08/04/07/206080407.db2.gz ZVCGCMNJSVJQBJ-UHFFFAOYSA-N 1 2 368.349 3.006 50 5 FGBALO O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000089531814 494322137 /nfs/dbraw/zinc/32/21/37/494322137.db2.gz DBDXQAHPNYXANE-OAHLLOKOSA-N 1 2 355.394 3.151 50 5 FGBALO O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000089531814 494322139 /nfs/dbraw/zinc/32/21/39/494322139.db2.gz DBDXQAHPNYXANE-OAHLLOKOSA-N 1 2 355.394 3.151 50 5 FGBALO C[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)Cc1ccccc1F ZINC000006653134 204258502 /nfs/dbraw/zinc/25/85/02/204258502.db2.gz OGTMGLDXLCDHLF-UHFFFAOYSA-N 1 2 351.765 3.458 50 5 FGBALO C[N@@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)Cc1ccccc1F ZINC000006653134 204258504 /nfs/dbraw/zinc/25/85/04/204258504.db2.gz OGTMGLDXLCDHLF-UHFFFAOYSA-N 1 2 351.765 3.458 50 5 FGBALO Cc1n[nH]cc1CCCNc1cc(C)[nH+]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000048229985 205153172 /nfs/dbraw/zinc/15/31/72/205153172.db2.gz NCYSIEKANYLMBS-UHFFFAOYSA-N 1 2 352.398 3.436 50 5 FGBALO CCCc1[nH+]c2ccccc2n1C[C@H](O)COc1ccc([N+](=O)[O-])cc1 ZINC000001201641 493789202 /nfs/dbraw/zinc/78/92/02/493789202.db2.gz UFGVLNCDAVXEOI-HNNXBMFYSA-N 1 2 355.394 3.337 50 5 FGBALO Cc1nc(NCCCn2cc[nH+]c2)nc(NCc2ccccc2)c1[N+](=O)[O-] ZINC000038488508 494113444 /nfs/dbraw/zinc/11/34/44/494113444.db2.gz XIPFRKTULCNPQA-UHFFFAOYSA-N 1 2 367.413 3.004 50 5 FGBALO COc1ccc2[nH]cc(C3=CC[N@H+](Cc4c([N+](=O)[O-])ncn4C)CC3)c2c1 ZINC000089761503 494356879 /nfs/dbraw/zinc/35/68/79/494356879.db2.gz YJGPLSZYERVXSW-UHFFFAOYSA-N 1 2 367.409 3.108 50 5 FGBALO COc1ccc2[nH]cc(C3=CC[N@@H+](Cc4c([N+](=O)[O-])ncn4C)CC3)c2c1 ZINC000089761503 494356882 /nfs/dbraw/zinc/35/68/82/494356882.db2.gz YJGPLSZYERVXSW-UHFFFAOYSA-N 1 2 367.409 3.108 50 5 FGBALO O=C(N[C@H]1CCOc2ccccc21)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032044102 571355225 /nfs/dbraw/zinc/35/52/25/571355225.db2.gz RILOYAJNKHKIQO-HNNXBMFYSA-N 1 2 364.361 3.034 50 5 FGBALO O=C(C[N@@H+]1CCc2sccc2C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000008734974 204342201 /nfs/dbraw/zinc/34/22/01/204342201.db2.gz DBZIHHCYQRKATO-UHFFFAOYSA-N 1 2 351.815 3.307 50 5 FGBALO O=C(C[N@H+]1CCc2sccc2C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000008734974 204342205 /nfs/dbraw/zinc/34/22/05/204342205.db2.gz DBZIHHCYQRKATO-UHFFFAOYSA-N 1 2 351.815 3.307 50 5 FGBALO COc1ccc(NC(=O)C[N@@H+]2CCc3sccc3[C@@H]2C)c([N+](=O)[O-])c1 ZINC000007878484 206211054 /nfs/dbraw/zinc/21/10/54/206211054.db2.gz QTZXQLKOZDWALN-NSHDSACASA-N 1 2 361.423 3.223 50 5 FGBALO COc1ccc(NC(=O)C[N@H+]2CCc3sccc3[C@@H]2C)c([N+](=O)[O-])c1 ZINC000007878484 206211055 /nfs/dbraw/zinc/21/10/55/206211055.db2.gz QTZXQLKOZDWALN-NSHDSACASA-N 1 2 361.423 3.223 50 5 FGBALO COC(=O)C[C@@H]1CCCCN1c1cc(C)[nH+]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000089600679 132199919 /nfs/dbraw/zinc/19/99/19/132199919.db2.gz VHUXWKOJLQUBGA-HNNXBMFYSA-N 1 2 370.409 3.282 50 5 FGBALO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H](O)COc1ccc(F)cc1 ZINC000011148919 494171754 /nfs/dbraw/zinc/17/17/54/494171754.db2.gz KHWAPVJLNOQBGI-HNNXBMFYSA-N 1 2 368.792 3.259 50 5 FGBALO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H](O)COc1ccc(F)cc1 ZINC000011148919 494171761 /nfs/dbraw/zinc/17/17/61/494171761.db2.gz KHWAPVJLNOQBGI-HNNXBMFYSA-N 1 2 368.792 3.259 50 5 FGBALO O=C(C[NH+]1CCC(Nc2ccccc2[N+](=O)[O-])CC1)Nc1ccccc1 ZINC000024240290 494614158 /nfs/dbraw/zinc/61/41/58/494614158.db2.gz LLXIOBJVCUDDIP-UHFFFAOYSA-N 1 2 354.410 3.110 50 5 FGBALO COC(=O)c1ccc(N[C@@H](c2[nH+]ccn2C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000009609076 204375516 /nfs/dbraw/zinc/37/55/16/204375516.db2.gz HRCOIWDDEJYOSN-QGZVFWFLSA-N 1 2 366.377 3.316 50 5 FGBALO COc1cccc(C[N@H+](C)CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000007986989 206215148 /nfs/dbraw/zinc/21/51/48/206215148.db2.gz XDBMXMYXKJIWON-UHFFFAOYSA-N 1 2 363.801 3.327 50 5 FGBALO COc1cccc(C[N@@H+](C)CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000007986989 206215152 /nfs/dbraw/zinc/21/51/52/206215152.db2.gz XDBMXMYXKJIWON-UHFFFAOYSA-N 1 2 363.801 3.327 50 5 FGBALO O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000052537453 136124368 /nfs/dbraw/zinc/12/43/68/136124368.db2.gz FHURAEQGIWGWSV-UHFFFAOYSA-N 1 2 374.828 3.009 50 5 FGBALO CCOC(=O)N1CC[NH+](Cc2cc(=O)oc3ccc4ccccc4c23)CC1 ZINC000020502252 203923768 /nfs/dbraw/zinc/92/37/68/203923768.db2.gz QTFHQZQJCNULDM-UHFFFAOYSA-N 1 2 366.417 3.220 50 5 FGBALO Cc1ccccc1NC(=O)[C@@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000024167296 494610196 /nfs/dbraw/zinc/61/01/96/494610196.db2.gz KWYSJRCBHHZDCP-MRXNPFEDSA-N 1 2 368.437 3.052 50 5 FGBALO Cc1c(C(=O)N[C@H](c2[nH+]ccn2C)c2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000018236029 206324375 /nfs/dbraw/zinc/32/43/75/206324375.db2.gz ABCJAGASELOAQZ-KRWDZBQOSA-N 1 2 368.368 3.295 50 5 FGBALO Cc1c(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000012507512 494236689 /nfs/dbraw/zinc/23/66/89/494236689.db2.gz INXODWBXOGTGPF-QGZVFWFLSA-N 1 2 350.378 3.156 50 5 FGBALO Cc1cc(N(CC2CCC2)[C@@H](C)CO)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000225535047 497066384 /nfs/dbraw/zinc/06/63/84/497066384.db2.gz OFVJMSYLQKVUCY-AWEZNQCLSA-N 1 2 356.426 3.348 50 5 FGBALO O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[NH+]([C@@H]3CCOC3)CC2)s1 ZINC000328592200 498870595 /nfs/dbraw/zinc/87/05/95/498870595.db2.gz MFKWGWHTVKSDQT-OAHLLOKOSA-N 1 2 373.478 3.230 50 5 FGBALO O=C(Cc1ccccc1[N+](=O)[O-])NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000048289009 205156418 /nfs/dbraw/zinc/15/64/18/205156418.db2.gz XRCQRUNGVJVPIO-UHFFFAOYSA-N 1 2 368.437 3.229 50 5 FGBALO COc1ccc(OC)c([C@@H](O)Cn2cc[nH+]c2-c2cccc([N+](=O)[O-])c2)c1 ZINC000058168695 205254416 /nfs/dbraw/zinc/25/44/16/205254416.db2.gz HQSBEAUXFIYKIB-KRWDZBQOSA-N 1 2 369.377 3.209 50 5 FGBALO CCOc1ccc(CN2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000001174801 493788301 /nfs/dbraw/zinc/78/83/01/493788301.db2.gz PDBWAAKKLMOQKG-UHFFFAOYSA-N 1 2 355.438 3.311 50 5 FGBALO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000012627717 494248325 /nfs/dbraw/zinc/24/83/25/494248325.db2.gz BYLCUHXKOJCOFQ-INIZCTEOSA-N 1 2 351.366 3.239 50 5 FGBALO CCOc1ccc(CN2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000001175962 493787907 /nfs/dbraw/zinc/78/79/07/493787907.db2.gz MBPZORHTBNGRQX-UHFFFAOYSA-N 1 2 355.438 3.311 50 5 FGBALO O=[N+]([O-])c1ccc(N2CC[NH+](C/C=C/c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000004980924 493905900 /nfs/dbraw/zinc/90/59/00/493905900.db2.gz ZMZNPVCBMMHXQY-HWKANZROSA-N 1 2 368.393 3.338 50 5 FGBALO C[N@H+](CC[S@@](=O)c1ccccc1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000032932837 494029299 /nfs/dbraw/zinc/02/92/99/494029299.db2.gz AAKNZTSWVXTPQP-QHCPKHFHSA-N 1 2 352.843 3.488 50 5 FGBALO C[N@@H+](CC[S@@](=O)c1ccccc1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000032932837 494029302 /nfs/dbraw/zinc/02/93/02/494029302.db2.gz AAKNZTSWVXTPQP-QHCPKHFHSA-N 1 2 352.843 3.488 50 5 FGBALO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(Cn2cc[nH+]c2)c1 ZINC000025173895 494707244 /nfs/dbraw/zinc/70/72/44/494707244.db2.gz DHHODMWTPIUNLI-UHFFFAOYSA-N 1 2 365.393 3.158 50 5 FGBALO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CCC[C@@H](C(F)(F)F)C3)n2)cc1 ZINC000036748435 208170980 /nfs/dbraw/zinc/17/09/80/208170980.db2.gz JPKUAYKOPZCPEI-GFCCVEGCSA-N 1 2 355.320 3.085 50 5 FGBALO O=[N+]([O-])c1ccc(-c2ncn(C[N@H+]3CCC[C@@H](C(F)(F)F)C3)n2)cc1 ZINC000036748435 208170987 /nfs/dbraw/zinc/17/09/87/208170987.db2.gz JPKUAYKOPZCPEI-GFCCVEGCSA-N 1 2 355.320 3.085 50 5 FGBALO CCOc1ccc(C[N@H+](C)Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000029502364 493841600 /nfs/dbraw/zinc/84/16/00/493841600.db2.gz BDNKSODJNHEEQZ-UHFFFAOYSA-N 1 2 367.409 3.342 50 5 FGBALO CCOc1ccc(C[N@@H+](C)Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000029502364 493841603 /nfs/dbraw/zinc/84/16/03/493841603.db2.gz BDNKSODJNHEEQZ-UHFFFAOYSA-N 1 2 367.409 3.342 50 5 FGBALO O=C(NCc1ccccc1Cn1cc[nH+]c1)Nc1ccccc1[N+](=O)[O-] ZINC000031661695 493954121 /nfs/dbraw/zinc/95/41/21/493954121.db2.gz CDMPPTASRBXLAS-UHFFFAOYSA-N 1 2 351.366 3.161 50 5 FGBALO COc1ccc(OC)c(NC(=O)C[N@H+](C)[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000015548938 494358780 /nfs/dbraw/zinc/35/87/80/494358780.db2.gz KJIJVNJHGYHBEE-ZDUSSCGKSA-N 1 2 373.409 3.244 50 5 FGBALO COc1ccc(OC)c(NC(=O)C[N@@H+](C)[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000015548938 494358783 /nfs/dbraw/zinc/35/87/83/494358783.db2.gz KJIJVNJHGYHBEE-ZDUSSCGKSA-N 1 2 373.409 3.244 50 5 FGBALO COC(=O)C[C@@H](c1ccc([N+](=O)[O-])cc1)c1c2[nH]s[nH+]c-2ccc1=O ZINC000096230811 495008089 /nfs/dbraw/zinc/00/80/89/495008089.db2.gz ZLISVQUWDXACJW-NSHDSACASA-N 1 2 359.363 3.000 50 5 FGBALO Cc1ccc(C(=O)Nc2cccc(OCCn3cc[nH+]c3)c2)cc1[N+](=O)[O-] ZINC000042706375 208295057 /nfs/dbraw/zinc/29/50/57/208295057.db2.gz MNDKGJCRFBWLJK-UHFFFAOYSA-N 1 2 366.377 3.431 50 5 FGBALO Cn1cc[nH+]c1[C@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000027415496 494868251 /nfs/dbraw/zinc/86/82/51/494868251.db2.gz MKMJFHFNDIZWBL-TZZQJPOUSA-N 1 2 362.389 3.247 50 5 FGBALO O=C(c1cccc([N+](=O)[O-])c1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000019706460 494456001 /nfs/dbraw/zinc/45/60/01/494456001.db2.gz NECSOLNWRBGVFQ-VMPITWQZSA-N 1 2 351.406 3.066 50 5 FGBALO C[C@H](NC(=O)c1cc2ccccc2c2cccnc12)[C@H](C)[NH+]1CCOCC1 ZINC000225548421 497066469 /nfs/dbraw/zinc/06/64/69/497066469.db2.gz GLTGMDVDUDSCJN-HOTGVXAUSA-N 1 2 363.461 3.227 50 5 FGBALO Cc1cc(C(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000033332725 494058878 /nfs/dbraw/zinc/05/88/78/494058878.db2.gz ZMKAYBSGWPHROQ-YVMONPNESA-N 1 2 365.433 3.374 50 5 FGBALO C[C@@H](NC(=O)c1cc2ccccc2c2cccnc12)[C@H](C)[NH+]1CCOCC1 ZINC000225548484 497065684 /nfs/dbraw/zinc/06/56/84/497065684.db2.gz GLTGMDVDUDSCJN-CVEARBPZSA-N 1 2 363.461 3.227 50 5 FGBALO C[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1ccc(-n2cc[nH+]c2)cc1 ZINC000012550748 207390619 /nfs/dbraw/zinc/39/06/19/207390619.db2.gz YGSBRBBZVKEPKH-CQSZACIVSA-N 1 2 366.377 3.037 50 5 FGBALO O=C(Nc1cccc(OCCn2cc[nH+]c2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000040134881 208234174 /nfs/dbraw/zinc/23/41/74/208234174.db2.gz UCVXWPOLGWORBC-UHFFFAOYSA-N 1 2 352.350 3.123 50 5 FGBALO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccsc2)c([N+](=O)[O-])c1 ZINC000048367015 493821431 /nfs/dbraw/zinc/82/14/31/493821431.db2.gz TWHFPKSDLRAXQB-OAHLLOKOSA-N 1 2 361.423 3.441 50 5 FGBALO COc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccsc2)c([N+](=O)[O-])c1 ZINC000048367015 493821435 /nfs/dbraw/zinc/82/14/35/493821435.db2.gz TWHFPKSDLRAXQB-OAHLLOKOSA-N 1 2 361.423 3.441 50 5 FGBALO CCN1C[C@@H](C[N@H+](C)Cc2cc(F)ccc2[N+](=O)[O-])Oc2ccccc21 ZINC000058356188 493846104 /nfs/dbraw/zinc/84/61/04/493846104.db2.gz XPLXYECIAVCZCV-MRXNPFEDSA-N 1 2 359.401 3.453 50 5 FGBALO CCN1C[C@@H](C[N@@H+](C)Cc2cc(F)ccc2[N+](=O)[O-])Oc2ccccc21 ZINC000058356188 493846108 /nfs/dbraw/zinc/84/61/08/493846108.db2.gz XPLXYECIAVCZCV-MRXNPFEDSA-N 1 2 359.401 3.453 50 5 FGBALO Cc1cc(-c2nn3c(C[NH+]4CCCCC4)nnc3s2)ccc1[N+](=O)[O-] ZINC000071260522 494089377 /nfs/dbraw/zinc/08/93/77/494089377.db2.gz IOWBIOWZELYXRJ-UHFFFAOYSA-N 1 2 358.427 3.055 50 5 FGBALO CNc1ccc(C(=O)Nc2cccc(Cn3cc[nH+]c3)c2)cc1[N+](=O)[O-] ZINC000025171796 494706485 /nfs/dbraw/zinc/70/64/85/494706485.db2.gz JBZLOKUGMJHKMU-UHFFFAOYSA-N 1 2 351.366 3.134 50 5 FGBALO COc1cc(NC(=O)C[N@H+](C)Cc2cccc(F)c2)c(C)cc1[N+](=O)[O-] ZINC000007157373 207188149 /nfs/dbraw/zinc/18/81/49/207188149.db2.gz ZZQOYLOPONPQFV-UHFFFAOYSA-N 1 2 361.373 3.121 50 5 FGBALO COc1cc(NC(=O)C[N@@H+](C)Cc2cccc(F)c2)c(C)cc1[N+](=O)[O-] ZINC000007157373 207188154 /nfs/dbraw/zinc/18/81/54/207188154.db2.gz ZZQOYLOPONPQFV-UHFFFAOYSA-N 1 2 361.373 3.121 50 5 FGBALO COC(=O)c1ccc(N[C@H](c2[nH+]ccn2C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000009609079 207278740 /nfs/dbraw/zinc/27/87/40/207278740.db2.gz HRCOIWDDEJYOSN-KRWDZBQOSA-N 1 2 366.377 3.316 50 5 FGBALO C[C@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1ccc(-n2cc[nH+]c2)cc1 ZINC000012550752 207390938 /nfs/dbraw/zinc/39/09/38/207390938.db2.gz YGSBRBBZVKEPKH-AWEZNQCLSA-N 1 2 366.377 3.037 50 5 FGBALO O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000089531813 494321834 /nfs/dbraw/zinc/32/18/34/494321834.db2.gz DBDXQAHPNYXANE-HNNXBMFYSA-N 1 2 355.394 3.151 50 5 FGBALO O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000089531813 494321836 /nfs/dbraw/zinc/32/18/36/494321836.db2.gz DBDXQAHPNYXANE-HNNXBMFYSA-N 1 2 355.394 3.151 50 5 FGBALO Nc1ccc(CNc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)c[nH+]1 ZINC000170610802 495535016 /nfs/dbraw/zinc/53/50/16/495535016.db2.gz FLTJXTQDTLTODJ-UHFFFAOYSA-N 1 2 351.366 3.158 50 5 FGBALO Cc1cc(N2CCC[C@@H]2c2cc[nH]n2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000170616228 495535799 /nfs/dbraw/zinc/53/57/99/495535799.db2.gz NQCIKRBMMQKKNM-MRXNPFEDSA-N 1 2 350.382 3.425 50 5 FGBALO COc1ccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2[N+](=O)[O-])cc1 ZINC000048363135 209332295 /nfs/dbraw/zinc/33/22/95/209332295.db2.gz UJAHMOVUCIYLRU-GOSISDBHSA-N 1 2 355.394 3.207 50 5 FGBALO COc1ccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2[N+](=O)[O-])cc1 ZINC000048363135 209332297 /nfs/dbraw/zinc/33/22/97/209332297.db2.gz UJAHMOVUCIYLRU-GOSISDBHSA-N 1 2 355.394 3.207 50 5 FGBALO Cc1ccc([N+](=O)[O-])c(NC(=O)C[N@H+]2CCC[C@H]2c2cccn2C)c1C ZINC000007855226 207209620 /nfs/dbraw/zinc/20/96/20/207209620.db2.gz XHCDIXMPEINFOB-INIZCTEOSA-N 1 2 356.426 3.326 50 5 FGBALO Cc1ccc([N+](=O)[O-])c(NC(=O)C[N@@H+]2CCC[C@H]2c2cccn2C)c1C ZINC000007855226 207209623 /nfs/dbraw/zinc/20/96/23/207209623.db2.gz XHCDIXMPEINFOB-INIZCTEOSA-N 1 2 356.426 3.326 50 5 FGBALO CCN1C[C@H](C[N@H+](C)Cc2cc(F)ccc2[N+](=O)[O-])Oc2ccccc21 ZINC000058356187 493845920 /nfs/dbraw/zinc/84/59/20/493845920.db2.gz XPLXYECIAVCZCV-INIZCTEOSA-N 1 2 359.401 3.453 50 5 FGBALO CCN1C[C@H](C[N@@H+](C)Cc2cc(F)ccc2[N+](=O)[O-])Oc2ccccc21 ZINC000058356187 493845923 /nfs/dbraw/zinc/84/59/23/493845923.db2.gz XPLXYECIAVCZCV-INIZCTEOSA-N 1 2 359.401 3.453 50 5 FGBALO Cc1ccccc1NC(=O)[C@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000024167300 494610257 /nfs/dbraw/zinc/61/02/57/494610257.db2.gz KWYSJRCBHHZDCP-INIZCTEOSA-N 1 2 368.437 3.052 50 5 FGBALO Cc1cccn2c(=O)cc(C[N@@H+](C)Cc3cc([N+](=O)[O-])ccc3Cl)nc12 ZINC000025022106 494691801 /nfs/dbraw/zinc/69/18/01/494691801.db2.gz CKDPOGLJASDYQH-UHFFFAOYSA-N 1 2 372.812 3.197 50 5 FGBALO Cc1cccn2c(=O)cc(C[N@H+](C)Cc3cc([N+](=O)[O-])ccc3Cl)nc12 ZINC000025022106 494691804 /nfs/dbraw/zinc/69/18/04/494691804.db2.gz CKDPOGLJASDYQH-UHFFFAOYSA-N 1 2 372.812 3.197 50 5 FGBALO C[C@@H](NC(=O)c1cc2ccccc2c2cccnc12)[C@@H](C)[NH+]1CCOCC1 ZINC000225548513 497066599 /nfs/dbraw/zinc/06/65/99/497066599.db2.gz GLTGMDVDUDSCJN-HZPDHXFCSA-N 1 2 363.461 3.227 50 5 FGBALO O=C(NCC1(c2ccccc2)CC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000033230901 208075802 /nfs/dbraw/zinc/07/58/02/208075802.db2.gz HZOUOWONVYWEKY-UHFFFAOYSA-N 1 2 362.389 3.242 50 5 FGBALO CCn1cc[nH+]c1[C@H]1CCCCN1c1ccc([N+](=O)[O-])c(C(=O)OC)c1 ZINC000225478995 132285023 /nfs/dbraw/zinc/28/50/23/132285023.db2.gz XYMMJYVNWYCIJF-MRXNPFEDSA-N 1 2 358.398 3.329 50 5 FGBALO O=[N+]([O-])c1ccc(O)cc1CN1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000019609095 211239381 /nfs/dbraw/zinc/23/93/81/211239381.db2.gz BHJQZKDVSRCJAS-QPJJXVBHSA-N 1 2 353.422 3.131 50 5 FGBALO O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000019683108 211244265 /nfs/dbraw/zinc/24/42/65/211244265.db2.gz TZCXULOWEUMKTH-RMKNXTFCSA-N 1 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COc1ccc(NC(=O)C[N@H+]2CCC[C@H]2c2ccsc2)c([N+](=O)[O-])c1 ZINC000048367017 493821557 /nfs/dbraw/zinc/82/15/57/493821557.db2.gz TWHFPKSDLRAXQB-HNNXBMFYSA-N 1 2 361.423 3.441 50 5 FGBALO CC(C)[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1ccccn1 ZINC000052832914 494066546 /nfs/dbraw/zinc/06/65/46/494066546.db2.gz RCWGWXHRWJUSOS-UHFFFAOYSA-N 1 2 353.382 3.450 50 5 FGBALO CC(C)[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1ccccn1 ZINC000052832914 494066551 /nfs/dbraw/zinc/06/65/51/494066551.db2.gz RCWGWXHRWJUSOS-UHFFFAOYSA-N 1 2 353.382 3.450 50 5 FGBALO CCn1cc[nH+]c1[C@@H]1CCCCN1c1ccc([N+](=O)[O-])c(C(=O)OC)c1 ZINC000225479025 132284853 /nfs/dbraw/zinc/28/48/53/132284853.db2.gz XYMMJYVNWYCIJF-INIZCTEOSA-N 1 2 358.398 3.329 50 5 FGBALO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000032854037 494022076 /nfs/dbraw/zinc/02/20/76/494022076.db2.gz AUVDQKLCJBNWEX-INIZCTEOSA-N 1 2 369.356 3.379 50 5 FGBALO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@H](C(F)(F)F)C3)n2)c1 ZINC000040086033 494129981 /nfs/dbraw/zinc/12/99/81/494129981.db2.gz QHIJAFMUKXJBST-NSHDSACASA-N 1 2 356.304 3.419 50 5 FGBALO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@H](C(F)(F)F)C3)n2)c1 ZINC000040086033 494129984 /nfs/dbraw/zinc/12/99/84/494129984.db2.gz QHIJAFMUKXJBST-NSHDSACASA-N 1 2 356.304 3.419 50 5 FGBALO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H](O)COc1ccc(F)cc1 ZINC000011148922 494171468 /nfs/dbraw/zinc/17/14/68/494171468.db2.gz KHWAPVJLNOQBGI-OAHLLOKOSA-N 1 2 368.792 3.259 50 5 FGBALO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H](O)COc1ccc(F)cc1 ZINC000011148922 494171471 /nfs/dbraw/zinc/17/14/71/494171471.db2.gz KHWAPVJLNOQBGI-OAHLLOKOSA-N 1 2 368.792 3.259 50 5 FGBALO COc1ccc(C[N@H+](C)Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)cc1F ZINC000048340507 221008738 /nfs/dbraw/zinc/00/87/38/221008738.db2.gz SPPIVIFUAXELPJ-UHFFFAOYSA-N 1 2 371.372 3.091 50 5 FGBALO COc1ccc(C[N@@H+](C)Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)cc1F ZINC000048340507 221008741 /nfs/dbraw/zinc/00/87/41/221008741.db2.gz SPPIVIFUAXELPJ-UHFFFAOYSA-N 1 2 371.372 3.091 50 5 FGBALO O=[N+]([O-])c1ccc(N2CC[NH+](C/C=C/c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000054771845 136125819 /nfs/dbraw/zinc/12/58/19/136125819.db2.gz PJLJWPVITFLMJV-QPJJXVBHSA-N 1 2 368.393 3.338 50 5 FGBALO Cc1cccc(C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2F)c1[N+](=O)[O-] ZINC000012507477 494236777 /nfs/dbraw/zinc/23/67/77/494236777.db2.gz DLYWXKHYTCBCMM-INIZCTEOSA-N 1 2 368.368 3.295 50 5 FGBALO C[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012550584 494241287 /nfs/dbraw/zinc/24/12/87/494241287.db2.gz KFLPWARYCZPVMK-AWEZNQCLSA-N 1 2 366.377 3.037 50 5 FGBALO O=[N+]([O-])c1ccc(-c2nn3c(C[NH+]4CCCCCC4)nnc3s2)cc1 ZINC000071260592 221337447 /nfs/dbraw/zinc/33/74/47/221337447.db2.gz JTYOZISNFVPRIO-UHFFFAOYSA-N 1 2 358.427 3.137 50 5 FGBALO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000040088273 494129729 /nfs/dbraw/zinc/12/97/29/494129729.db2.gz RBVLQXKUHRDHRU-AWEZNQCLSA-N 1 2 365.393 3.353 50 5 FGBALO COC(=O)C[C@H]1CCCCN1c1cc(C)[nH+]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000089600677 536348795 /nfs/dbraw/zinc/34/87/95/536348795.db2.gz VHUXWKOJLQUBGA-OAHLLOKOSA-N 1 2 370.409 3.282 50 5 FGBALO Cc1ccc([N+](=O)[O-])c(NC(=O)C[N@H+]2CCC[C@@H]2c2cccn2C)c1C ZINC000007855219 494046953 /nfs/dbraw/zinc/04/69/53/494046953.db2.gz XHCDIXMPEINFOB-MRXNPFEDSA-N 1 2 356.426 3.326 50 5 FGBALO Cc1ccc([N+](=O)[O-])c(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccn2C)c1C ZINC000007855219 494046958 /nfs/dbraw/zinc/04/69/58/494046958.db2.gz XHCDIXMPEINFOB-MRXNPFEDSA-N 1 2 356.426 3.326 50 5 FGBALO COc1ccc(C[NH+]2CCN(Cc3csc([N+](=O)[O-])c3)CC2)cc1F ZINC000040149676 494136691 /nfs/dbraw/zinc/13/66/91/494136691.db2.gz MATCMSFKWGTLDJ-UHFFFAOYSA-N 1 2 365.430 3.122 50 5 FGBALO Cn1cc[nH+]c1[C@H](NC(=O)/C=C\c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000096925513 210240265 /nfs/dbraw/zinc/24/02/65/210240265.db2.gz MKMJFHFNDIZWBL-YAINUAMHSA-N 1 2 362.389 3.247 50 5 FGBALO COc1cccc(C[N@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1OC ZINC000012982890 211014690 /nfs/dbraw/zinc/01/46/90/211014690.db2.gz IHFLOLXPPWTTAW-UHFFFAOYSA-N 1 2 374.393 3.111 50 5 FGBALO COc1cccc(C[N@@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1OC ZINC000012982890 211014694 /nfs/dbraw/zinc/01/46/94/211014694.db2.gz IHFLOLXPPWTTAW-UHFFFAOYSA-N 1 2 374.393 3.111 50 5 FGBALO Cc1c(-c2nn3c(C[NH+]4CCCCCC4)nnc3s2)cccc1[N+](=O)[O-] ZINC000071260595 221337509 /nfs/dbraw/zinc/33/75/09/221337509.db2.gz KLHLRIYUOYSJFT-UHFFFAOYSA-N 1 2 372.454 3.445 50 5 FGBALO O=C(C[NH+]1CCN(c2cccc(Cl)c2)CC1)Nc1cccc([N+](=O)[O-])c1 ZINC000052537390 136124387 /nfs/dbraw/zinc/12/43/87/136124387.db2.gz FTUFEDTXTWANEA-UHFFFAOYSA-N 1 2 374.828 3.009 50 5 FGBALO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3nc4ccc(F)cc4o3)CC2)cc1 ZINC000079097951 494403567 /nfs/dbraw/zinc/40/35/67/494403567.db2.gz XOVHBSPHHXGYSC-UHFFFAOYSA-N 1 2 356.357 3.197 50 5 FGBALO O=[N+]([O-])c1cccc(-c2[nH+]ccn2C[C@H](O)COCc2ccccc2F)c1 ZINC000049998609 570966953 /nfs/dbraw/zinc/96/69/53/570966953.db2.gz SIEZSBAUKFEBSQ-KRWDZBQOSA-N 1 2 371.368 3.175 50 5 FGBALO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Nc1ccc([NH+](C)C)cc1 ZINC000005695278 493940940 /nfs/dbraw/zinc/94/09/40/493940940.db2.gz BHUMCWZGEOYQID-GFCCVEGCSA-N 1 2 358.398 3.109 50 5 FGBALO CCOc1ccccc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000008708133 494100517 /nfs/dbraw/zinc/10/05/17/494100517.db2.gz GMHXGWPHWRCBPX-UHFFFAOYSA-N 1 2 352.350 3.432 50 5 FGBALO O=C1N=C(c2ccccc2)C(c2[nH]cc[nH+]2)[C@@H](c2ccc([N+](=O)[O-])cc2)N1 ZINC000009915555 494136662 /nfs/dbraw/zinc/13/66/62/494136662.db2.gz OTNJIDHYXFJEDP-QGZVFWFLSA-N 1 2 361.361 3.240 50 5 FGBALO Cc1c(C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000012507510 494237051 /nfs/dbraw/zinc/23/70/51/494237051.db2.gz INXODWBXOGTGPF-KRWDZBQOSA-N 1 2 350.378 3.156 50 5 FGBALO C[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(-n2cc[nH+]c2)cc1 ZINC000012627945 494248295 /nfs/dbraw/zinc/24/82/95/494248295.db2.gz QSAMDDXIHWWNST-AWEZNQCLSA-N 1 2 350.378 3.200 50 5 FGBALO Cc1ccc(OCC[N@@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1 ZINC000047406697 494699888 /nfs/dbraw/zinc/69/98/88/494699888.db2.gz ZQMJBNHWZJJTHH-UHFFFAOYSA-N 1 2 368.393 3.464 50 5 FGBALO Cc1ccc(OCC[N@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1 ZINC000047406697 494699892 /nfs/dbraw/zinc/69/98/92/494699892.db2.gz ZQMJBNHWZJJTHH-UHFFFAOYSA-N 1 2 368.393 3.464 50 5 FGBALO O=C(NCCCn1cc[nH+]c1)c1sc2cc([N+](=O)[O-])ccc2c1Cl ZINC000002769554 493818578 /nfs/dbraw/zinc/81/85/78/493818578.db2.gz KXNLJVJENNOQRK-UHFFFAOYSA-N 1 2 364.814 3.480 50 5 FGBALO CCOc1ccc(C[N@H+](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC ZINC000007686474 494035172 /nfs/dbraw/zinc/03/51/72/494035172.db2.gz KDYAZFTVCHYEMP-UHFFFAOYSA-N 1 2 373.409 3.073 50 5 FGBALO CCOc1ccc(C[N@@H+](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC ZINC000007686474 494035175 /nfs/dbraw/zinc/03/51/75/494035175.db2.gz KDYAZFTVCHYEMP-UHFFFAOYSA-N 1 2 373.409 3.073 50 5 FGBALO CCOc1ccc(NC(=O)Cn2c[nH+]cc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000001075170 219365786 /nfs/dbraw/zinc/36/57/86/219365786.db2.gz JIHMIOCYDYEKOV-UHFFFAOYSA-N 1 2 366.377 3.496 50 5 FGBALO COc1ccc(C[N@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1OC ZINC000012881756 220039110 /nfs/dbraw/zinc/03/91/10/220039110.db2.gz ORMSLHYRZIWUPK-UHFFFAOYSA-N 1 2 374.393 3.111 50 5 FGBALO COc1ccc(C[N@@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1OC ZINC000012881756 220039111 /nfs/dbraw/zinc/03/91/11/220039111.db2.gz ORMSLHYRZIWUPK-UHFFFAOYSA-N 1 2 374.393 3.111 50 5 FGBALO O=[N+]([O-])c1cc(CN2CC[NH+](C/C=C/c3ccccc3)CC2)ccc1O ZINC000019608879 220280759 /nfs/dbraw/zinc/28/07/59/220280759.db2.gz UNFHJXDHLGBIBD-QPJJXVBHSA-N 1 2 353.422 3.131 50 5 FGBALO COc1cc(C[NH+]2CCN(c3ccccc3C)CC2)c([N+](=O)[O-])cc1OC ZINC000055543579 136127096 /nfs/dbraw/zinc/12/70/96/136127096.db2.gz JGOYXNAKHHLUFC-UHFFFAOYSA-N 1 2 371.437 3.243 50 5 FGBALO Cn1cc[nH+]c1[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000009115924 263359361 /nfs/dbraw/zinc/35/93/61/263359361.db2.gz WKIXFRVBHNNWBT-MRXNPFEDSA-N 1 2 369.356 3.379 50 5 FGBALO COc1cc(NC(=O)C[N@H+](C)Cc2ccc(F)cc2)c(C)cc1[N+](=O)[O-] ZINC000008120451 494069122 /nfs/dbraw/zinc/06/91/22/494069122.db2.gz IQUOTMJFGANMSH-UHFFFAOYSA-N 1 2 361.373 3.121 50 5 FGBALO COc1cc(NC(=O)C[N@@H+](C)Cc2ccc(F)cc2)c(C)cc1[N+](=O)[O-] ZINC000008120451 494069127 /nfs/dbraw/zinc/06/91/27/494069127.db2.gz IQUOTMJFGANMSH-UHFFFAOYSA-N 1 2 361.373 3.121 50 5 FGBALO O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000040155024 494137774 /nfs/dbraw/zinc/13/77/74/494137774.db2.gz UUJBEZIANLVJEQ-UHFFFAOYSA-N 1 2 369.356 3.360 50 5 FGBALO COCc1ccccc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000044548579 494365488 /nfs/dbraw/zinc/36/54/88/494365488.db2.gz OIAAWBXZFNMONU-UHFFFAOYSA-N 1 2 352.350 3.179 50 5 FGBALO O=[N+]([O-])c1ccc(C[NH+]2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000023718756 494577539 /nfs/dbraw/zinc/57/75/39/494577539.db2.gz MXXISNYWXWETQO-UHFFFAOYSA-N 1 2 366.343 3.331 50 5 FGBALO C[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(-n2cc[nH+]c2)cc1 ZINC000012627943 220014121 /nfs/dbraw/zinc/01/41/21/220014121.db2.gz QSAMDDXIHWWNST-CQSZACIVSA-N 1 2 350.378 3.200 50 5 FGBALO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000020058097 220310823 /nfs/dbraw/zinc/31/08/23/220310823.db2.gz FWHFUYWYOZHFAQ-QPJJXVBHSA-N 1 2 351.406 3.066 50 5 FGBALO C[N@H+](CC[S@](=O)c1ccccc1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000032932838 494029401 /nfs/dbraw/zinc/02/94/01/494029401.db2.gz AAKNZTSWVXTPQP-HSZRJFAPSA-N 1 2 352.843 3.488 50 5 FGBALO C[N@@H+](CC[S@](=O)c1ccccc1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000032932838 494029407 /nfs/dbraw/zinc/02/94/07/494029407.db2.gz AAKNZTSWVXTPQP-HSZRJFAPSA-N 1 2 352.843 3.488 50 5 FGBALO COc1ccc(NC(=O)C[N@@H+]2CCc3sccc3[C@H]2C)c([N+](=O)[O-])c1 ZINC000007878482 494048689 /nfs/dbraw/zinc/04/86/89/494048689.db2.gz QTZXQLKOZDWALN-LLVKDONJSA-N 1 2 361.423 3.223 50 5 FGBALO COc1ccc(NC(=O)C[N@H+]2CCc3sccc3[C@H]2C)c([N+](=O)[O-])c1 ZINC000007878482 494048690 /nfs/dbraw/zinc/04/86/90/494048690.db2.gz QTZXQLKOZDWALN-LLVKDONJSA-N 1 2 361.423 3.223 50 5 FGBALO O=C(C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1c[nH]c2ccccc12 ZINC000036166786 494087891 /nfs/dbraw/zinc/08/78/91/494087891.db2.gz ZLJHJAZAWQZIEQ-UHFFFAOYSA-N 1 2 364.405 3.081 50 5 FGBALO O=C(C[N@@H+]1CCC[C@@H]1c1cccnc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000253419926 497332903 /nfs/dbraw/zinc/33/29/03/497332903.db2.gz MAKHCAYXXAFDAR-OAHLLOKOSA-N 1 2 360.801 3.419 50 5 FGBALO O=C(C[N@H+]1CCC[C@@H]1c1cccnc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000253419926 497332906 /nfs/dbraw/zinc/33/29/06/497332906.db2.gz MAKHCAYXXAFDAR-OAHLLOKOSA-N 1 2 360.801 3.419 50 5 FGBALO Cc1ccc(-c2nn3c(C[NH+]4CCCCC4)nnc3s2)cc1[N+](=O)[O-] ZINC000071260523 221336657 /nfs/dbraw/zinc/33/66/57/221336657.db2.gz NDLWSDXBCMAFDI-UHFFFAOYSA-N 1 2 358.427 3.055 50 5 FGBALO Cc1ccc(-c2nn3c(C[NH+]4CCCCCC4)nnc3s2)cc1[N+](=O)[O-] ZINC000071260594 221337127 /nfs/dbraw/zinc/33/71/27/221337127.db2.gz SUYXRDHNBYFKTA-UHFFFAOYSA-N 1 2 372.454 3.445 50 5 FGBALO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000012543998 136152087 /nfs/dbraw/zinc/15/20/87/136152087.db2.gz YCTLYYCPUQMSLM-UHFFFAOYSA-N 1 2 366.343 3.331 50 5 FGBALO C[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])Cc1cccc(F)c1 ZINC000006753555 493978208 /nfs/dbraw/zinc/97/82/08/493978208.db2.gz JKAJQEMTGCRHAE-UHFFFAOYSA-N 1 2 351.765 3.458 50 5 FGBALO C[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])Cc1cccc(F)c1 ZINC000006753555 493978210 /nfs/dbraw/zinc/97/82/10/493978210.db2.gz JKAJQEMTGCRHAE-UHFFFAOYSA-N 1 2 351.765 3.458 50 5 FGBALO COc1ccccc1C[N@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000007654700 494032271 /nfs/dbraw/zinc/03/22/71/494032271.db2.gz UVKUKPFHZOGETF-UHFFFAOYSA-N 1 2 363.801 3.327 50 5 FGBALO COc1ccccc1C[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000007654700 494032274 /nfs/dbraw/zinc/03/22/74/494032274.db2.gz UVKUKPFHZOGETF-UHFFFAOYSA-N 1 2 363.801 3.327 50 5 FGBALO O=[N+]([O-])c1cccc(C[NH+]2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1 ZINC000023718970 494577203 /nfs/dbraw/zinc/57/72/03/494577203.db2.gz NHCFVQMYYWATRE-UHFFFAOYSA-N 1 2 366.343 3.331 50 5 FGBALO Cc1cccc(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c1[N+](=O)[O-] ZINC000024751155 494661282 /nfs/dbraw/zinc/66/12/82/494661282.db2.gz PDDRZOMGGFOJOK-UHFFFAOYSA-N 1 2 350.378 3.078 50 5 FGBALO O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[NH+]([C@H]3CCOC3)CC2)s1 ZINC000328592199 223114502 /nfs/dbraw/zinc/11/45/02/223114502.db2.gz MFKWGWHTVKSDQT-HNNXBMFYSA-N 1 2 373.478 3.230 50 5 FGBALO O=[N+]([O-])c1cccc(-c2[nH+]ccn2C[C@@H](O)COCc2ccccc2F)c1 ZINC000049998607 221028653 /nfs/dbraw/zinc/02/86/53/221028653.db2.gz SIEZSBAUKFEBSQ-QGZVFWFLSA-N 1 2 371.368 3.175 50 5 FGBALO COc1ccccc1C[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000025916433 494788727 /nfs/dbraw/zinc/78/87/27/494788727.db2.gz KBNZBPIEUFGTKH-UHFFFAOYSA-N 1 2 354.366 3.285 50 5 FGBALO COc1ccccc1C[N@@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000025916433 494788729 /nfs/dbraw/zinc/78/87/29/494788729.db2.gz KBNZBPIEUFGTKH-UHFFFAOYSA-N 1 2 354.366 3.285 50 5 FGBALO CS(=O)(=O)c1ccc(Nc2ccc([NH+]3CCCC3)cc2)c([N+](=O)[O-])c1 ZINC000007984823 571168007 /nfs/dbraw/zinc/16/80/07/571168007.db2.gz OMXZFTXIZQPGEM-UHFFFAOYSA-N 1 2 361.423 3.342 50 5 FGBALO Cc1c(C(=O)Nc2cccc(OCCn3cc[nH+]c3)c2)cccc1[N+](=O)[O-] ZINC000055420260 221069115 /nfs/dbraw/zinc/06/91/15/221069115.db2.gz YUBFLTJNPILUPS-UHFFFAOYSA-N 1 2 366.377 3.431 50 5 FGBALO Cn1cc[nH+]c1[C@@H](NC(=O)/C=C\c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000096925514 222139854 /nfs/dbraw/zinc/13/98/54/222139854.db2.gz MKMJFHFNDIZWBL-JZHDPFOFSA-N 1 2 362.389 3.247 50 5 FGBALO Cc1cc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000020149330 494468959 /nfs/dbraw/zinc/46/89/59/494468959.db2.gz ZMKAYBSGWPHROQ-VMPITWQZSA-N 1 2 365.433 3.374 50 5 FGBALO COc1ccccc1NC(=O)Cn1c[nH+]cc1-c1ccc([N+](=O)[O-])cc1 ZINC000001144955 219380530 /nfs/dbraw/zinc/38/05/30/219380530.db2.gz HQPREYZRDUOZHK-UHFFFAOYSA-N 1 2 352.350 3.106 50 5 FGBALO C[N@H+](CC(=O)Nc1ccc(F)c(F)c1F)Cc1ccc([N+](=O)[O-])cc1 ZINC000013060982 220056575 /nfs/dbraw/zinc/05/65/75/220056575.db2.gz AAEGVGILPDIMKP-UHFFFAOYSA-N 1 2 353.300 3.083 50 5 FGBALO C[N@@H+](CC(=O)Nc1ccc(F)c(F)c1F)Cc1ccc([N+](=O)[O-])cc1 ZINC000013060982 220056579 /nfs/dbraw/zinc/05/65/79/220056579.db2.gz AAEGVGILPDIMKP-UHFFFAOYSA-N 1 2 353.300 3.083 50 5 FGBALO O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000058115523 221097964 /nfs/dbraw/zinc/09/79/64/221097964.db2.gz NCUVDWRHQBZLPO-UHFFFAOYSA-N 1 2 372.768 3.451 50 5 FGBALO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000012544486 220005763 /nfs/dbraw/zinc/00/57/63/220005763.db2.gz DBSLZIBABQUOIO-UHFFFAOYSA-N 1 2 351.366 3.161 50 5 FGBALO COc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC=C(c2ccccc2)CC1 ZINC000007064461 204288473 /nfs/dbraw/zinc/28/84/73/204288473.db2.gz PMJXYJXMZZTHRL-UHFFFAOYSA-N 1 2 367.405 3.331 50 5 FGBALO COc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC=C(c2ccccc2)CC1 ZINC000007064461 204288478 /nfs/dbraw/zinc/28/84/78/204288478.db2.gz PMJXYJXMZZTHRL-UHFFFAOYSA-N 1 2 367.405 3.331 50 5 FGBALO Cn1cc[nH+]c1[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000032854039 494022038 /nfs/dbraw/zinc/02/20/38/494022038.db2.gz AUVDQKLCJBNWEX-MRXNPFEDSA-N 1 2 369.356 3.379 50 5 FGBALO CN(Cc1cccc(F)c1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000008778664 494105024 /nfs/dbraw/zinc/10/50/24/494105024.db2.gz PRQXPJCABMAAQU-UHFFFAOYSA-N 1 2 354.341 3.192 50 5 FGBALO CCOc1cc(C[N@H+](C)Cn2c(C)ncc2[N+](=O)[O-])ccc1OC(F)F ZINC000048289286 570941244 /nfs/dbraw/zinc/94/12/44/570941244.db2.gz IMCPHYHIQMKECQ-UHFFFAOYSA-N 1 2 370.356 3.189 50 5 FGBALO CCOc1cc(C[N@@H+](C)Cn2c(C)ncc2[N+](=O)[O-])ccc1OC(F)F ZINC000048289286 570941246 /nfs/dbraw/zinc/94/12/46/570941246.db2.gz IMCPHYHIQMKECQ-UHFFFAOYSA-N 1 2 370.356 3.189 50 5 FGBALO Cc1cc(N(CC2CCC2)[C@H](C)CO)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000225535078 206486247 /nfs/dbraw/zinc/48/62/47/206486247.db2.gz OFVJMSYLQKVUCY-CQSZACIVSA-N 1 2 356.426 3.348 50 5 FGBALO COc1cc(C[NH+]2CCN(c3cccc(C)c3C)CC2)cc([N+](=O)[O-])c1O ZINC000001227083 132381355 /nfs/dbraw/zinc/38/13/55/132381355.db2.gz OFPZQUYTOADUGC-UHFFFAOYSA-N 1 2 371.437 3.248 50 5 FGBALO Cc1cc2[nH+]cn(C[C@@H](O)CSc3ncccc3[N+](=O)[O-])c2cc1C ZINC000071843983 494104085 /nfs/dbraw/zinc/10/40/85/494104085.db2.gz YBUBBCICLCRIOU-CYBMUJFWSA-N 1 2 358.423 3.110 50 5 FGBALO C[C@@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012550583 494241647 /nfs/dbraw/zinc/24/16/47/494241647.db2.gz KFLPWARYCZPVMK-CQSZACIVSA-N 1 2 366.377 3.037 50 5 FGBALO COc1ccc(C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1[N+](=O)[O-] ZINC000005267624 204201107 /nfs/dbraw/zinc/20/11/07/204201107.db2.gz TWEAXLXUKNSLFP-ZDUSSCGKSA-N 1 2 366.377 3.280 50 5 FGBALO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCc2sccc2C1 ZINC000032883732 494023998 /nfs/dbraw/zinc/02/39/98/494023998.db2.gz ZZNVTTLZKAJITG-UHFFFAOYSA-N 1 2 354.391 3.041 50 5 FGBALO Cc1cccc(N2CC[NH+](Cc3cc4c(cc3[N+](=O)[O-])OCO4)CC2)c1C ZINC000055543064 136126778 /nfs/dbraw/zinc/12/67/78/136126778.db2.gz TZEFFRLIXQWZBY-UHFFFAOYSA-N 1 2 369.421 3.263 50 5 FGBALO Cc1cc(OC(=O)c2cccc([N+](=O)[O-])c2)c(C)cc1C[NH+]1CCOCC1 ZINC000019618863 494452475 /nfs/dbraw/zinc/45/24/75/494452475.db2.gz OCUPISKBZNLRTI-UHFFFAOYSA-N 1 2 370.405 3.263 50 5 FGBALO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000025414759 494737215 /nfs/dbraw/zinc/73/72/15/494737215.db2.gz QAXKVGYXLIKURO-KRWDZBQOSA-N 1 2 355.394 3.379 50 5 FGBALO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000025414759 494737219 /nfs/dbraw/zinc/73/72/19/494737219.db2.gz QAXKVGYXLIKURO-KRWDZBQOSA-N 1 2 355.394 3.379 50 5 FGBALO Cn1cc[nH+]c1[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1F ZINC000010260922 204392733 /nfs/dbraw/zinc/39/27/33/204392733.db2.gz BJIUTZBIIRVWTQ-MRXNPFEDSA-N 1 2 369.356 3.379 50 5 FGBALO Cc1[nH+]c2n(c1CN1CCN(c3ccc([N+](=O)[O-])c(C)c3)CC1)CCCC2 ZINC000095467517 132211488 /nfs/dbraw/zinc/21/14/88/132211488.db2.gz DQFCKXHVYGACHR-UHFFFAOYSA-N 1 2 369.469 3.067 50 5 FGBALO O=[N+]([O-])c1cccc(-c2nn3c(C[NH+]4CCCCCC4)nnc3s2)c1 ZINC000071260591 494090067 /nfs/dbraw/zinc/09/00/67/494090067.db2.gz CJMJDUSTFSTDDS-UHFFFAOYSA-N 1 2 358.427 3.137 50 5 FGBALO Cc1cc(N[C@H](c2nncn2C)C(C)C)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000253418340 497332979 /nfs/dbraw/zinc/33/29/79/497332979.db2.gz OMRFWCYMNDDFLO-INIZCTEOSA-N 1 2 367.413 3.298 50 5 FGBALO C[C@H]([C@H](C)NC(=O)c1cc2ccccc2c2cccnc12)[NH+]1CCOCC1 ZINC000225548454 497066307 /nfs/dbraw/zinc/06/63/07/497066307.db2.gz GLTGMDVDUDSCJN-JKSUJKDBSA-N 1 2 363.461 3.227 50 5 FGBALO Cc1ccc2[nH+]c(COC(=O)CCCNc3ccccc3[N+](=O)[O-])cn2c1 ZINC000008547180 204333625 /nfs/dbraw/zinc/33/36/25/204333625.db2.gz GOSXFVGESXZQII-UHFFFAOYSA-N 1 2 368.393 3.486 50 5 FGBALO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000020508695 526811794 /nfs/dbraw/zinc/81/17/94/526811794.db2.gz SAYSXUHALSAUAT-RMKNXTFCSA-N 1 2 351.406 3.066 50 5 FGBALO Cc1c(C(=O)N[C@@H](c2[nH+]ccn2C)c2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000018236030 206325314 /nfs/dbraw/zinc/32/53/14/206325314.db2.gz ABCJAGASELOAQZ-QGZVFWFLSA-N 1 2 368.368 3.295 50 5 FGBALO C[N@@H+](Cc1ccc(F)c(F)c1)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000048340532 209330373 /nfs/dbraw/zinc/33/03/73/209330373.db2.gz NENFETSLAGOCIR-UHFFFAOYSA-N 1 2 359.336 3.221 50 5 FGBALO C[N@H+](Cc1ccc(F)c(F)c1)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000048340532 209330378 /nfs/dbraw/zinc/33/03/78/209330378.db2.gz NENFETSLAGOCIR-UHFFFAOYSA-N 1 2 359.336 3.221 50 5 FGBALO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000019782433 220297258 /nfs/dbraw/zinc/29/72/58/220297258.db2.gz JYPMCUVHVDZOBI-UHFFFAOYSA-N 1 2 359.813 3.206 50 5 FGBALO O=[N+]([O-])c1cccc(-c2[nH+]ccn2C[C@@H](O)COCc2ccccc2)c1 ZINC000058215801 493834685 /nfs/dbraw/zinc/83/46/85/493834685.db2.gz FWSHDBUUXZOJKX-GOSISDBHSA-N 1 2 353.378 3.036 50 5 FGBALO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000055518279 494354465 /nfs/dbraw/zinc/35/44/65/494354465.db2.gz QLKHOCSCZRFCEB-QPJJXVBHSA-N 1 2 366.421 3.458 50 5 FGBALO CC[NH+](CC)Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000024140842 494607820 /nfs/dbraw/zinc/60/78/20/494607820.db2.gz SDCOJEXVOMIQNY-UHFFFAOYSA-N 1 2 357.410 3.072 50 5 FGBALO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Nc1ccc([NH+](C)C)cc1 ZINC000004663174 207035100 /nfs/dbraw/zinc/03/51/00/207035100.db2.gz BHUMCWZGEOYQID-LBPRGKRZSA-N 1 2 358.398 3.109 50 5 FGBALO NC(=O)c1ccc(C[N@H+](Cc2ccc(F)cc2F)C2CC2)c([N+](=O)[O-])c1 ZINC000048355866 493819470 /nfs/dbraw/zinc/81/94/70/493819470.db2.gz FHVPEDPMGNEGFT-UHFFFAOYSA-N 1 2 361.348 3.137 50 5 FGBALO NC(=O)c1ccc(C[N@@H+](Cc2ccc(F)cc2F)C2CC2)c([N+](=O)[O-])c1 ZINC000048355866 493819474 /nfs/dbraw/zinc/81/94/74/493819474.db2.gz FHVPEDPMGNEGFT-UHFFFAOYSA-N 1 2 361.348 3.137 50 5 FGBALO Cc1cc(-c2nn3c(C[NH+]4CCCCCC4)nnc3s2)ccc1[N+](=O)[O-] ZINC000071260593 494089705 /nfs/dbraw/zinc/08/97/05/494089705.db2.gz RLTCORVFIGKISC-UHFFFAOYSA-N 1 2 372.454 3.445 50 5 FGBALO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000013324873 494285635 /nfs/dbraw/zinc/28/56/35/494285635.db2.gz DFCNVCQZCJLKQT-UHFFFAOYSA-N 1 2 356.382 3.071 50 5 FGBALO CC(C)c1noc([C@@]23CCC[C@@H]2C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C3)n1 ZINC000241124397 497352422 /nfs/dbraw/zinc/35/24/22/497352422.db2.gz JHYREGUZMADZTA-AUUYWEPGSA-N 1 2 372.425 3.361 50 5 FGBALO CC(C)c1noc([C@@]23CCC[C@@H]2C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C3)n1 ZINC000241124397 497352424 /nfs/dbraw/zinc/35/24/24/497352424.db2.gz JHYREGUZMADZTA-AUUYWEPGSA-N 1 2 372.425 3.361 50 5 FGBALO CC1CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000005064341 207078245 /nfs/dbraw/zinc/07/82/45/207078245.db2.gz HAGOSNCSPSZTPQ-UHFFFAOYSA-N 1 2 356.220 3.028 50 5 FGBALO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000006052793 207127109 /nfs/dbraw/zinc/12/71/09/207127109.db2.gz WQVQINRSMYCZHB-SNVBAGLBSA-N 1 2 356.220 3.170 50 5 FGBALO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000006052793 207127113 /nfs/dbraw/zinc/12/71/13/207127113.db2.gz WQVQINRSMYCZHB-SNVBAGLBSA-N 1 2 356.220 3.170 50 5 FGBALO Cc1cccn2cc(COC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)[nH+]c12 ZINC000011227031 207311718 /nfs/dbraw/zinc/31/17/18/207311718.db2.gz XCFOEHBOCLBUNE-UHFFFAOYSA-N 1 2 366.377 3.482 50 5 FGBALO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000013324930 494285628 /nfs/dbraw/zinc/28/56/28/494285628.db2.gz DATJIQQBEIJIMC-UHFFFAOYSA-N 1 2 356.382 3.071 50 5 FGBALO CCOC(=O)c1cc(C(=O)Nc2c(C)cc(C)[nH+]c2C)cc([N+](=O)[O-])c1 ZINC000048374533 209333154 /nfs/dbraw/zinc/33/31/54/209333154.db2.gz CMKNORFVEJEXFU-UHFFFAOYSA-N 1 2 357.366 3.344 50 5 FGBALO Cc1ccc(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2)cc1[N+](=O)[O-] ZINC000012627240 494248372 /nfs/dbraw/zinc/24/83/72/494248372.db2.gz HWNLZCDBQLRVNG-QGZVFWFLSA-N 1 2 350.378 3.156 50 5 FGBALO Cn1cc[nH+]c1[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000012627719 494248622 /nfs/dbraw/zinc/24/86/22/494248622.db2.gz BYLCUHXKOJCOFQ-MRXNPFEDSA-N 1 2 351.366 3.239 50 5 FGBALO COc1ccc(C[N@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 ZINC000025915704 494788856 /nfs/dbraw/zinc/78/88/56/494788856.db2.gz OBGXQSKMLRZCAO-UHFFFAOYSA-N 1 2 354.366 3.285 50 5 FGBALO COc1ccc(C[N@@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 ZINC000025915704 494788862 /nfs/dbraw/zinc/78/88/62/494788862.db2.gz OBGXQSKMLRZCAO-UHFFFAOYSA-N 1 2 354.366 3.285 50 5 FGBALO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccccc1F ZINC000032983373 208063619 /nfs/dbraw/zinc/06/36/19/208063619.db2.gz PFJMSDVILJBZEM-LBPRGKRZSA-N 1 2 354.341 3.411 50 5 FGBALO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000019782513 220296584 /nfs/dbraw/zinc/29/65/84/220296584.db2.gz FRTIOTMHRIMBQZ-UHFFFAOYSA-N 1 2 359.813 3.206 50 5 FGBALO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CC[NH+](Cc2ccccc2)CC1 ZINC000020405804 494471994 /nfs/dbraw/zinc/47/19/94/494471994.db2.gz AVGXKCSLLHIDIB-UHFFFAOYSA-N 1 2 359.813 3.206 50 5 FGBALO Cn1cc[nH+]c1[C@@H](Nc1nc2ccccn2c1[N+](=O)[O-])c1ccc(F)cc1 ZINC000022261593 494518713 /nfs/dbraw/zinc/51/87/13/494518713.db2.gz SGZZVDAIAQPGBC-HNNXBMFYSA-N 1 2 366.356 3.317 50 5 FGBALO CCOc1ccc(C(=O)Nc2cccc(Cn3cc[nH+]c3)c2)cc1[N+](=O)[O-] ZINC000025172578 494707379 /nfs/dbraw/zinc/70/73/79/494707379.db2.gz HGSXRDSWJGTOHR-UHFFFAOYSA-N 1 2 366.377 3.491 50 5 FGBALO O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000031806906 208017093 /nfs/dbraw/zinc/01/70/93/208017093.db2.gz KUADNTFIINRYLN-UHFFFAOYSA-N 1 2 366.421 3.479 50 5 FGBALO Cc1ccc(C)c(N2CC[NH+](Cc3cc4c(cc3[N+](=O)[O-])OCO4)CC2)c1 ZINC000055292113 136126484 /nfs/dbraw/zinc/12/64/84/136126484.db2.gz DILYLDGGQTVRKI-UHFFFAOYSA-N 1 2 369.421 3.263 50 5 FGBALO CC[NH+](CC)Cc1nnc2sc(/C=C/c3ccc([N+](=O)[O-])cc3)nn12 ZINC000071260571 494089516 /nfs/dbraw/zinc/08/95/16/494089516.db2.gz HRQIISZMVCZIRQ-JXMROGBWSA-N 1 2 358.427 3.106 50 5 FGBALO CCc1ccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000019522888 494448059 /nfs/dbraw/zinc/44/80/59/494448059.db2.gz HPHSXOHTQIVIDP-UHFFFAOYSA-N 1 2 353.422 3.115 50 5 FGBALO CC[N@@H+](Cc1cccc(F)c1)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000048343158 209330860 /nfs/dbraw/zinc/33/08/60/209330860.db2.gz PMDYORPDAKOJRR-UHFFFAOYSA-N 1 2 355.373 3.472 50 5 FGBALO CC[N@H+](Cc1cccc(F)c1)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000048343158 209330861 /nfs/dbraw/zinc/33/08/61/209330861.db2.gz PMDYORPDAKOJRR-UHFFFAOYSA-N 1 2 355.373 3.472 50 5 FGBALO C[N@H+](CCOc1ccccc1)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000006865445 207172424 /nfs/dbraw/zinc/17/24/24/207172424.db2.gz IFVXDVIJUNCYSM-UHFFFAOYSA-N 1 2 363.801 3.198 50 5 FGBALO C[N@@H+](CCOc1ccccc1)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000006865445 207172428 /nfs/dbraw/zinc/17/24/28/207172428.db2.gz IFVXDVIJUNCYSM-UHFFFAOYSA-N 1 2 363.801 3.198 50 5 FGBALO O=C(N[C@@H]1CCOc2ccccc21)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032044100 208023850 /nfs/dbraw/zinc/02/38/50/208023850.db2.gz RILOYAJNKHKIQO-OAHLLOKOSA-N 1 2 364.361 3.034 50 5 FGBALO CCOc1ccccc1OC1CC[NH+](Cn2nc(C)c([N+](=O)[O-])c2C)CC1 ZINC000057104050 494642795 /nfs/dbraw/zinc/64/27/95/494642795.db2.gz CWWUHDMFFTYTKO-UHFFFAOYSA-N 1 2 374.441 3.308 50 5 FGBALO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000046468863 570513255 /nfs/dbraw/zinc/51/32/55/570513255.db2.gz LPRBUJNTFRUYAC-HNNXBMFYSA-N 1 2 361.402 3.036 50 5 FGBALO Cc1ccc(NS(=O)(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c(C)c1 ZINC000047982969 208384964 /nfs/dbraw/zinc/38/49/64/208384964.db2.gz VWNSJXFNWBEVBB-UHFFFAOYSA-N 1 2 372.406 3.198 50 5 FGBALO CN(C(=O)Nc1cccc([N+](=O)[O-])c1)C1CCN(c2cccc[nH+]2)CC1 ZINC000058316749 136131539 /nfs/dbraw/zinc/13/15/39/136131539.db2.gz MHMAGILRHVLGOO-UHFFFAOYSA-N 1 2 355.398 3.123 50 5 FGBALO COc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1OC ZINC000008778534 494105626 /nfs/dbraw/zinc/10/56/26/494105626.db2.gz XGMZVXPHUGNMMJ-UHFFFAOYSA-N 1 2 368.349 3.050 50 5 FGBALO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000033848616 211612453 /nfs/dbraw/zinc/61/24/53/211612453.db2.gz SAYSXUHALSAUAT-TWGQIWQCSA-N 1 2 351.406 3.066 50 5 FGBALO COc1ccccc1CN(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000009112040 494114936 /nfs/dbraw/zinc/11/49/36/494114936.db2.gz CNEFTUPZYQBLRS-UHFFFAOYSA-N 1 2 366.377 3.061 50 5 FGBALO C[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000040088274 494130031 /nfs/dbraw/zinc/13/00/31/494130031.db2.gz RBVLQXKUHRDHRU-CQSZACIVSA-N 1 2 365.393 3.353 50 5 FGBALO O=C(CN(Cc1ccccc1)C1=[NH+]CCS1)c1cccc([N+](=O)[O-])c1 ZINC000001811977 210371401 /nfs/dbraw/zinc/37/14/01/210371401.db2.gz OINVOKAXKCTEQG-UHFFFAOYSA-N 1 2 355.419 3.383 50 5 FGBALO CCCc1[nH+]c2ccccc2n1C[C@@H](O)COc1ccc([N+](=O)[O-])cc1 ZINC000001201642 210334146 /nfs/dbraw/zinc/33/41/46/210334146.db2.gz UFGVLNCDAVXEOI-OAHLLOKOSA-N 1 2 355.394 3.337 50 5 FGBALO COc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2[N+](=O)[O-])cc1 ZINC000048363132 221011388 /nfs/dbraw/zinc/01/13/88/221011388.db2.gz UJAHMOVUCIYLRU-SFHVURJKSA-N 1 2 355.394 3.207 50 5 FGBALO COc1ccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2[N+](=O)[O-])cc1 ZINC000048363132 221011390 /nfs/dbraw/zinc/01/13/90/221011390.db2.gz UJAHMOVUCIYLRU-SFHVURJKSA-N 1 2 355.394 3.207 50 5 FGBALO Cc1ccc(NC(=O)C[N@H+]2CC=C(c3ccc(O)cc3)CC2)c([N+](=O)[O-])c1 ZINC000032851103 494021885 /nfs/dbraw/zinc/02/18/85/494021885.db2.gz JPGBPIXOTNJHBH-UHFFFAOYSA-N 1 2 367.405 3.337 50 5 FGBALO Cc1ccc(NC(=O)C[N@@H+]2CC=C(c3ccc(O)cc3)CC2)c([N+](=O)[O-])c1 ZINC000032851103 494021888 /nfs/dbraw/zinc/02/18/88/494021888.db2.gz JPGBPIXOTNJHBH-UHFFFAOYSA-N 1 2 367.405 3.337 50 5 FGBALO COc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])s3)CC2)cc1F ZINC000048304163 570943441 /nfs/dbraw/zinc/94/34/41/570943441.db2.gz CDSVCMMIJKUGPM-UHFFFAOYSA-N 1 2 351.403 3.126 50 5 FGBALO Cc1cc(C(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)ccc1[N+](=O)[O-] ZINC000020352788 211277554 /nfs/dbraw/zinc/27/75/54/211277554.db2.gz MFBILTWPSSJZSO-UHFFFAOYSA-N 1 2 357.385 3.000 50 5 FGBALO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000019782454 211255292 /nfs/dbraw/zinc/25/52/92/211255292.db2.gz JWGQRPUDIOUWFD-UHFFFAOYSA-N 1 2 359.813 3.206 50 5 FGBALO C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000006052795 493949690 /nfs/dbraw/zinc/94/96/90/493949690.db2.gz WQVQINRSMYCZHB-JTQLQIEISA-N 1 2 356.220 3.170 50 5 FGBALO C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000006052795 493949694 /nfs/dbraw/zinc/94/96/94/493949694.db2.gz WQVQINRSMYCZHB-JTQLQIEISA-N 1 2 356.220 3.170 50 5 FGBALO C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccccc1F ZINC000032983372 494034169 /nfs/dbraw/zinc/03/41/69/494034169.db2.gz PFJMSDVILJBZEM-GFCCVEGCSA-N 1 2 354.341 3.411 50 5 FGBALO Cc1cccc(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2F)c1[N+](=O)[O-] ZINC000012507479 494236745 /nfs/dbraw/zinc/23/67/45/494236745.db2.gz DLYWXKHYTCBCMM-MRXNPFEDSA-N 1 2 368.368 3.295 50 5 FGBALO COc1ccc(C)cc1C[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000012772544 494257332 /nfs/dbraw/zinc/25/73/32/494257332.db2.gz VTTXFZVJBJXWJQ-UHFFFAOYSA-N 1 2 358.394 3.410 50 5 FGBALO COc1ccc(C)cc1C[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000012772544 494257338 /nfs/dbraw/zinc/25/73/38/494257338.db2.gz VTTXFZVJBJXWJQ-UHFFFAOYSA-N 1 2 358.394 3.410 50 5 FGBALO CC(=O)c1ccc(N[C@@H](C)C2([NH+]3CCOCC3)CCCC2)c([N+](=O)[O-])c1 ZINC000084633263 571093635 /nfs/dbraw/zinc/09/36/35/571093635.db2.gz IFZUQSQNTBCMKQ-HNNXBMFYSA-N 1 2 361.442 3.243 50 5 FGBALO Cc1cc2[nH+]cn(C[C@H](O)CSc3ncccc3[N+](=O)[O-])c2cc1C ZINC000064046897 212037728 /nfs/dbraw/zinc/03/77/28/212037728.db2.gz YBUBBCICLCRIOU-ZDUSSCGKSA-N 1 2 358.423 3.110 50 5 FGBALO Cc1cc(OCC[NH+]2CCN(Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000004831972 493894367 /nfs/dbraw/zinc/89/43/67/493894367.db2.gz OUCNFJWKJBWAKH-UHFFFAOYSA-N 1 2 355.438 3.100 50 5 FGBALO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[NH+](Cc2ccccc2)CC1 ZINC000019798405 526680371 /nfs/dbraw/zinc/68/03/71/526680371.db2.gz ZGTNQDGLLNHIRX-UHFFFAOYSA-N 1 2 359.813 3.206 50 5 FGBALO C[NH+]1CCN(c2ccc(C(=O)c3ccc(Cl)cc3)cc2[N+](=O)[O-])CC1 ZINC000004618746 695544122 /nfs/dbraw/zinc/54/41/22/695544122.db2.gz UMQSLNVLNDTNRE-UHFFFAOYSA-N 1 2 359.813 3.231 50 5 FGBALO Cc1c(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cccc1[N+](=O)[O-] ZINC000030657028 211523330 /nfs/dbraw/zinc/52/33/30/211523330.db2.gz DRBKXFANRVDKBT-UHFFFAOYSA-N 1 2 350.378 3.078 50 5 FGBALO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019607265 211241007 /nfs/dbraw/zinc/24/10/07/211241007.db2.gz AFUCWUHGNVBJAO-UHFFFAOYSA-N 1 2 359.813 3.206 50 5 FGBALO Cc1c(-c2nn3c(C[NH+]4CCCCC4)nnc3s2)cccc1[N+](=O)[O-] ZINC000071260524 221337155 /nfs/dbraw/zinc/33/71/55/221337155.db2.gz FJPJWAGSLLINHT-UHFFFAOYSA-N 1 2 358.427 3.055 50 5 FGBALO O=[N+]([O-])c1ccc(N2CCN(Cc3cn4ccccc4[nH+]3)CC2)c(Cl)c1 ZINC000021835585 494507984 /nfs/dbraw/zinc/50/79/84/494507984.db2.gz UJUWJYXLUXBOMB-UHFFFAOYSA-N 1 2 371.828 3.218 50 5 FGBALO Cc1ccc(-c2cn(CC(=O)c3cccc([N+](=O)[O-])c3)c(=[NH2+])n2C)cc1 ZINC000334157590 525766424 /nfs/dbraw/zinc/76/64/24/525766424.db2.gz PNAVHDXCOWHAOK-UHFFFAOYSA-N 1 2 350.378 3.073 50 5 FGBALO Cc1noc(C)c1C[NH+]1CCN(c2c(C)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000170606580 132264577 /nfs/dbraw/zinc/26/45/77/132264577.db2.gz IXSUTZDECAWSBF-UHFFFAOYSA-N 1 2 364.833 3.484 50 5 FGBALO C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(=O)c2ccc(Cl)cc2)CC1 ZINC000003932162 132386093 /nfs/dbraw/zinc/38/60/93/132386093.db2.gz AMNSTBWPBHSZPR-UHFFFAOYSA-N 1 2 359.813 3.231 50 5 FGBALO O=C(C[NH+]1CCCCCC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000006052458 493949590 /nfs/dbraw/zinc/94/95/90/493949590.db2.gz YKDNCLANBFWSSO-UHFFFAOYSA-N 1 2 356.220 3.172 50 5 FGBALO Cc1nc(NCCCn2cc[nH+]c2)nc(Nc2ccccc2)c1[N+](=O)[O-] ZINC000038488487 494113342 /nfs/dbraw/zinc/11/33/42/494113342.db2.gz OILLVBWXGMMCCH-UHFFFAOYSA-N 1 2 353.386 3.136 50 5 FGBALO CCc1cc(NCCCn2cc[nH+]c2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000095369404 494966413 /nfs/dbraw/zinc/96/64/13/494966413.db2.gz XMHKIIGYMYQZMV-UHFFFAOYSA-N 1 2 352.398 3.313 50 5 FGBALO O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NCCCn1cc[nH+]c1 ZINC000004301639 219562791 /nfs/dbraw/zinc/56/27/91/219562791.db2.gz UDYXJSRADBLKFS-UHFFFAOYSA-N 1 2 359.264 3.221 50 5 FGBALO Cc1cc(N[C@@H](c2nncn2C)C(C)C)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000253418343 497332866 /nfs/dbraw/zinc/33/28/66/497332866.db2.gz OMRFWCYMNDDFLO-MRXNPFEDSA-N 1 2 367.413 3.298 50 5 FGBALO O=C(C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1)Nc1cccc(Cl)c1 ZINC000052537616 136124461 /nfs/dbraw/zinc/12/44/61/136124461.db2.gz QZVKQMVNMZBGJN-UHFFFAOYSA-N 1 2 374.828 3.009 50 5 FGBALO O=[N+]([O-])c1ccccc1S(=O)(=O)N(Cc1ccccc1)c1cc[nH+]cc1 ZINC000079110930 527404668 /nfs/dbraw/zinc/40/46/68/527404668.db2.gz HZCRKBYDMFCPKK-UHFFFAOYSA-N 1 2 369.402 3.385 50 5 FGBALO COc1ccc(OC)c([C@H](O)Cn2cc[nH+]c2-c2cccc([N+](=O)[O-])c2)c1 ZINC000058168694 221102072 /nfs/dbraw/zinc/10/20/72/221102072.db2.gz HQSBEAUXFIYKIB-QGZVFWFLSA-N 1 2 369.377 3.209 50 5 FGBALO COC(=O)C[C@H](c1ccc([N+](=O)[O-])cc1)c1c2[nH]s[nH+]c-2ccc1=O ZINC000096230812 222091595 /nfs/dbraw/zinc/09/15/95/222091595.db2.gz ZLISVQUWDXACJW-LLVKDONJSA-N 1 2 359.363 3.000 50 5 FGBALO COc1cc(C[NH+]2CCN(c3cc(C)ccc3C)CC2)cc([N+](=O)[O-])c1O ZINC000004980481 493905519 /nfs/dbraw/zinc/90/55/19/493905519.db2.gz XSWKMCXVYYEOON-UHFFFAOYSA-N 1 2 371.437 3.248 50 5 FGBALO Cc1ccc(C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2)cc1[N+](=O)[O-] ZINC000012627239 220014927 /nfs/dbraw/zinc/01/49/27/220014927.db2.gz HWNLZCDBQLRVNG-KRWDZBQOSA-N 1 2 350.378 3.156 50 5 FGBALO CSc1ccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000019782417 220295511 /nfs/dbraw/zinc/29/55/11/220295511.db2.gz RBIMEIXDDYSEGP-UHFFFAOYSA-N 1 2 371.462 3.275 50 5 FGBALO COc1ccc(NC(=O)C[N@H+]2CC=C(c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000006590824 493969285 /nfs/dbraw/zinc/96/92/85/493969285.db2.gz RMTPUZNUKJTASQ-UHFFFAOYSA-N 1 2 367.405 3.331 50 5 FGBALO COc1ccc(NC(=O)C[N@@H+]2CC=C(c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000006590824 493969289 /nfs/dbraw/zinc/96/92/89/493969289.db2.gz RMTPUZNUKJTASQ-UHFFFAOYSA-N 1 2 367.405 3.331 50 5 FGBALO CC(C)[N@@H+](Cc1cccnc1)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000040151379 494136377 /nfs/dbraw/zinc/13/63/77/494136377.db2.gz LCSGMPIPDUHBID-UHFFFAOYSA-N 1 2 352.398 3.116 50 5 FGBALO CC(C)[N@H+](Cc1cccnc1)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000040151379 494136380 /nfs/dbraw/zinc/13/63/80/494136380.db2.gz LCSGMPIPDUHBID-UHFFFAOYSA-N 1 2 352.398 3.116 50 5 FGBALO COc1ccc(NC(=O)C[N@H+](Cc2ccc(C)o2)C(C)C)c([N+](=O)[O-])c1 ZINC000047630976 494750069 /nfs/dbraw/zinc/75/00/69/494750069.db2.gz LNVUUMJNRFDQDG-UHFFFAOYSA-N 1 2 361.398 3.354 50 5 FGBALO COc1ccc(NC(=O)C[N@@H+](Cc2ccc(C)o2)C(C)C)c([N+](=O)[O-])c1 ZINC000047630976 494750077 /nfs/dbraw/zinc/75/00/77/494750077.db2.gz LNVUUMJNRFDQDG-UHFFFAOYSA-N 1 2 361.398 3.354 50 5 FGBALO O=[N+]([O-])c1cccc(NC(=S)N2CC[NH+](Cc3cccc(F)c3)CC2)c1 ZINC000020362977 527390531 /nfs/dbraw/zinc/39/05/31/527390531.db2.gz SYWYSDVDLJWBHU-UHFFFAOYSA-N 1 2 374.441 3.249 50 5 FGBALO CC(=O)c1ccc(N[C@H](C)C2([NH+]3CCOCC3)CCCC2)c([N+](=O)[O-])c1 ZINC000084633265 571093656 /nfs/dbraw/zinc/09/36/56/571093656.db2.gz IFZUQSQNTBCMKQ-OAHLLOKOSA-N 1 2 361.442 3.243 50 5 FGBALO Cc1cc(NC(=O)C[N@H+]2CCC[C@@H]2c2cccn2C)c([N+](=O)[O-])cc1C ZINC000007039286 493995656 /nfs/dbraw/zinc/99/56/56/493995656.db2.gz XVFFPDNYOMNBHC-QGZVFWFLSA-N 1 2 356.426 3.326 50 5 FGBALO Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccn2C)c([N+](=O)[O-])cc1C ZINC000007039286 493995659 /nfs/dbraw/zinc/99/56/59/493995659.db2.gz XVFFPDNYOMNBHC-QGZVFWFLSA-N 1 2 356.426 3.326 50 5 FGBALO CCc1[nH+]c2ccccc2n1CC(=O)N(C)Cc1cccc([N+](=O)[O-])c1 ZINC000024947775 494682356 /nfs/dbraw/zinc/68/23/56/494682356.db2.gz ZGIUXUQOMWMQNS-UHFFFAOYSA-N 1 2 352.394 3.166 50 5 FGBALO O=C(C[N@@H+]1CCC[C@H]1c1cccnc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000253419923 497333119 /nfs/dbraw/zinc/33/31/19/497333119.db2.gz MAKHCAYXXAFDAR-HNNXBMFYSA-N 1 2 360.801 3.419 50 5 FGBALO O=C(C[N@H+]1CCC[C@H]1c1cccnc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000253419923 497333124 /nfs/dbraw/zinc/33/31/24/497333124.db2.gz MAKHCAYXXAFDAR-HNNXBMFYSA-N 1 2 360.801 3.419 50 5 FGBALO COC(=O)c1cc([N+](=O)[O-])ccc1Nc1ccc([NH+]2CCC(O)CC2)cc1 ZINC000057929633 136130322 /nfs/dbraw/zinc/13/03/22/136130322.db2.gz YOFLDNGLOWYEQO-UHFFFAOYSA-N 1 2 371.393 3.086 50 5 FGBALO Cn1cc[nH+]c1[C@@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000027415491 263389844 /nfs/dbraw/zinc/38/98/44/263389844.db2.gz MKMJFHFNDIZWBL-CVTTXWKISA-N 1 2 362.389 3.247 50 5 FGBALO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3c(F)cccc3Cl)CC2)nc1 ZINC000013986487 494298825 /nfs/dbraw/zinc/29/88/25/494298825.db2.gz PZBLFQUBRKSPAR-UHFFFAOYSA-N 1 2 350.781 3.105 50 5 FGBALO C[N@H+](CCOc1ccccc1F)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000047406700 494699580 /nfs/dbraw/zinc/69/95/80/494699580.db2.gz YSUSRIRKKYNKFU-UHFFFAOYSA-N 1 2 372.356 3.295 50 5 FGBALO C[N@@H+](CCOc1ccccc1F)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000047406700 494699592 /nfs/dbraw/zinc/69/95/92/494699592.db2.gz YSUSRIRKKYNKFU-UHFFFAOYSA-N 1 2 372.356 3.295 50 5 FGBALO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000046468860 570513299 /nfs/dbraw/zinc/51/32/99/570513299.db2.gz LPRBUJNTFRUYAC-OAHLLOKOSA-N 1 2 361.402 3.036 50 5 FGBALO COc1ccc(OC)c(NC(=O)C[N@H+](C)[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000015548939 220155984 /nfs/dbraw/zinc/15/59/84/220155984.db2.gz KJIJVNJHGYHBEE-CYBMUJFWSA-N 1 2 373.409 3.244 50 5 FGBALO COc1ccc(OC)c(NC(=O)C[N@@H+](C)[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000015548939 220155988 /nfs/dbraw/zinc/15/59/88/220155988.db2.gz KJIJVNJHGYHBEE-CYBMUJFWSA-N 1 2 373.409 3.244 50 5 FGBALO Cn1cc[nH+]c1[C@H](Nc1nc2ccccn2c1[N+](=O)[O-])c1ccc(F)cc1 ZINC000022261596 220381060 /nfs/dbraw/zinc/38/10/60/220381060.db2.gz SGZZVDAIAQPGBC-OAHLLOKOSA-N 1 2 366.356 3.317 50 5 FGBALO O=[N+]([O-])c1ccccc1-c1nn2c(C[NH+]3CCCCCC3)nnc2s1 ZINC000071260590 221337054 /nfs/dbraw/zinc/33/70/54/221337054.db2.gz NIKRNKTUTZBFNI-UHFFFAOYSA-N 1 2 358.427 3.137 50 5 FGBALO CCN(CC)c1nc(Nc2ccc([N+](=O)[O-])cc2)nc(N(CC)CC)[nH+]1 ZINC000003879153 493858698 /nfs/dbraw/zinc/85/86/98/493858698.db2.gz BTLPXFFYNJUWKE-UHFFFAOYSA-N 1 2 359.434 3.216 50 5 FGBALO COc1ccc(C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1[N+](=O)[O-] ZINC000005267628 493922473 /nfs/dbraw/zinc/92/24/73/493922473.db2.gz TWEAXLXUKNSLFP-CYBMUJFWSA-N 1 2 366.377 3.280 50 5 FGBALO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CCC[C@H](C(F)(F)F)C3)n2)cc1 ZINC000036748434 494097706 /nfs/dbraw/zinc/09/77/06/494097706.db2.gz JPKUAYKOPZCPEI-LBPRGKRZSA-N 1 2 355.320 3.085 50 5 FGBALO O=[N+]([O-])c1ccc(-c2ncn(C[N@H+]3CCC[C@H](C(F)(F)F)C3)n2)cc1 ZINC000036748434 494097709 /nfs/dbraw/zinc/09/77/09/494097709.db2.gz JPKUAYKOPZCPEI-LBPRGKRZSA-N 1 2 355.320 3.085 50 5 FGBALO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1F ZINC000010260923 494147667 /nfs/dbraw/zinc/14/76/67/494147667.db2.gz BJIUTZBIIRVWTQ-INIZCTEOSA-N 1 2 369.356 3.379 50 5 FGBALO O=[N+]([O-])c1cccc(-c2[nH+]ccn2C[C@H](O)COCc2ccccc2)c1 ZINC000058215803 221108233 /nfs/dbraw/zinc/10/82/33/221108233.db2.gz FWSHDBUUXZOJKX-SFHVURJKSA-N 1 2 353.378 3.036 50 5 FGBALO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@@H](C(F)(F)F)C3)n2)c1 ZINC000040086034 518203167 /nfs/dbraw/zinc/20/31/67/518203167.db2.gz QHIJAFMUKXJBST-LLVKDONJSA-N 1 2 356.304 3.419 50 5 FGBALO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@@H](C(F)(F)F)C3)n2)c1 ZINC000040086034 518203168 /nfs/dbraw/zinc/20/31/68/518203168.db2.gz QHIJAFMUKXJBST-LLVKDONJSA-N 1 2 356.304 3.419 50 5 FGBALO Cc1cc(NC(=O)C[N@H+]2CCC[C@H]2c2cccn2C)c([N+](=O)[O-])cc1C ZINC000007039287 493996007 /nfs/dbraw/zinc/99/60/07/493996007.db2.gz XVFFPDNYOMNBHC-KRWDZBQOSA-N 1 2 356.426 3.326 50 5 FGBALO Cc1cc(NC(=O)C[N@@H+]2CCC[C@H]2c2cccn2C)c([N+](=O)[O-])cc1C ZINC000007039287 493996012 /nfs/dbraw/zinc/99/60/12/493996012.db2.gz XVFFPDNYOMNBHC-KRWDZBQOSA-N 1 2 356.426 3.326 50 5 FGBALO Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000040122088 494135033 /nfs/dbraw/zinc/13/50/33/494135033.db2.gz FOIJBPDRBZKZLH-UHFFFAOYSA-N 1 2 369.425 3.004 50 5 FGBALO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000095978669 494993068 /nfs/dbraw/zinc/99/30/68/494993068.db2.gz DIPDTMDWCRFDCF-UHFFFAOYSA-N 1 2 370.796 3.423 50 5 FGBALO Cc1cc(N2CCC[C@H]2c2cc[nH]n2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000170616229 495535854 /nfs/dbraw/zinc/53/58/54/495535854.db2.gz NQCIKRBMMQKKNM-INIZCTEOSA-N 1 2 350.382 3.425 50 5 FGBALO Cc1ccc([N+](=O)[O-])cc1Nc1nc(N2CCCC2)[nH+]c(N2CCCC2)n1 ZINC000001130826 219376538 /nfs/dbraw/zinc/37/65/38/219376538.db2.gz OCWNPSSCQWGLKS-UHFFFAOYSA-N 1 2 369.429 3.032 50 5 FGBALO Cc1cccc(N2CC[NH+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)CC2)c1 ZINC000012590602 132861156 /nfs/dbraw/zinc/86/11/56/132861156.db2.gz XJKPXJNNBLAAQW-UHFFFAOYSA-N 1 2 369.421 3.092 50 5 FGBALO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000025414763 494736592 /nfs/dbraw/zinc/73/65/92/494736592.db2.gz QAXKVGYXLIKURO-QGZVFWFLSA-N 1 2 355.394 3.379 50 5 FGBALO COc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000025414763 494736603 /nfs/dbraw/zinc/73/66/03/494736603.db2.gz QAXKVGYXLIKURO-QGZVFWFLSA-N 1 2 355.394 3.379 50 5 FGBALO