smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)C[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168996010 927602611 /nfs/dbraw/zinc/60/26/11/927602611.db2.gz TZVQSASFVHENIF-IHRRRGAJSA-N 2 2 269.389 1.752 20 5 CDBDLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168996010 927602617 /nfs/dbraw/zinc/60/26/17/927602617.db2.gz TZVQSASFVHENIF-IHRRRGAJSA-N 2 2 269.389 1.752 20 5 CDBDLP O=[N+]([O-])c1ccccc1OCC[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000601327983 342554314 /nfs/dbraw/zinc/55/43/14/342554314.db2.gz BTLCCPPJYCTMIO-DOMZBBRYSA-N 2 2 291.351 1.705 20 5 CDBDLP COCC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000273084720 192038163 /nfs/dbraw/zinc/03/81/63/192038163.db2.gz LSPPQXOLYWCZIW-CQSZACIVSA-N 2 2 293.367 1.448 20 5 CDBDLP COCC[N@H+]1CC[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000273084720 192038165 /nfs/dbraw/zinc/03/81/65/192038165.db2.gz LSPPQXOLYWCZIW-CQSZACIVSA-N 2 2 293.367 1.448 20 5 CDBDLP Cc1c(NC(=O)[C@H](C)[N@H+](C)CCC[NH3+])cccc1[N+](=O)[O-] ZINC000592473626 342698672 /nfs/dbraw/zinc/69/86/72/342698672.db2.gz JCBQJANZDQZVKK-NSHDSACASA-N 2 2 294.355 1.511 20 5 CDBDLP Cc1c(NC(=O)[C@H](C)[N@@H+](C)CCC[NH3+])cccc1[N+](=O)[O-] ZINC000592473626 342698674 /nfs/dbraw/zinc/69/86/74/342698674.db2.gz JCBQJANZDQZVKK-NSHDSACASA-N 2 2 294.355 1.511 20 5 CDBDLP COc1ccc(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000129096212 345262367 /nfs/dbraw/zinc/26/23/67/345262367.db2.gz MQXPEVGDGIJVPV-PWSUYJOCSA-N 2 2 279.340 1.915 20 5 CDBDLP COc1ccc(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000129096212 345262368 /nfs/dbraw/zinc/26/23/68/345262368.db2.gz MQXPEVGDGIJVPV-PWSUYJOCSA-N 2 2 279.340 1.915 20 5 CDBDLP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000358258330 375960458 /nfs/dbraw/zinc/96/04/58/375960458.db2.gz SXUXUVWNEVBUHP-FZMZJTMJSA-N 2 2 279.340 1.312 20 5 CDBDLP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000358258330 375960464 /nfs/dbraw/zinc/96/04/64/375960464.db2.gz SXUXUVWNEVBUHP-FZMZJTMJSA-N 2 2 279.340 1.312 20 5 CDBDLP CC(C)[NH2+]C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174845585 379591927 /nfs/dbraw/zinc/59/19/27/379591927.db2.gz BSKKRUSNQJWYIX-UHFFFAOYSA-N 2 2 281.360 1.254 20 5 CDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430947089 393106695 /nfs/dbraw/zinc/10/66/95/393106695.db2.gz CYIRHDUXGUJJPV-NSHDSACASA-N 2 2 292.339 1.122 20 5 CDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430947089 393106707 /nfs/dbraw/zinc/10/67/07/393106707.db2.gz CYIRHDUXGUJJPV-NSHDSACASA-N 2 2 292.339 1.122 20 5 CDBDLP O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000252666699 140321679 /nfs/dbraw/zinc/32/16/79/140321679.db2.gz ASELPBHSONJWDK-LSDHHAIUSA-N 2 2 291.351 1.548 20 5 CDBDLP O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000252666699 140321680 /nfs/dbraw/zinc/32/16/80/140321680.db2.gz ASELPBHSONJWDK-LSDHHAIUSA-N 2 2 291.351 1.548 20 5 CDBDLP C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CC[C@@H]1[NH3+] ZINC000261575800 140354156 /nfs/dbraw/zinc/35/41/56/140354156.db2.gz BTQICWUOBJQIEB-RNCFNFMXSA-N 2 2 267.304 1.903 20 5 CDBDLP C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CC[C@@H]1[NH3+] ZINC000261575800 140354157 /nfs/dbraw/zinc/35/41/57/140354157.db2.gz BTQICWUOBJQIEB-RNCFNFMXSA-N 2 2 267.304 1.903 20 5 CDBDLP C[C@H](C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)[NH+](C)C ZINC000447538334 278210632 /nfs/dbraw/zinc/21/06/32/278210632.db2.gz BDYVOEKMMHEUQY-FRRDWIJNSA-N 2 2 295.387 1.815 20 5 CDBDLP C[C@H]1C[C@@H]([NH2+]CC[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000905152495 626638246 /nfs/dbraw/zinc/63/82/46/626638246.db2.gz DXTVJBZLIAKMGU-ZFWWWQNUSA-N 2 2 277.368 1.906 20 5 CDBDLP C[C@H]1C[C@@H]([NH2+]CC[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000905152495 626638248 /nfs/dbraw/zinc/63/82/48/626638248.db2.gz DXTVJBZLIAKMGU-ZFWWWQNUSA-N 2 2 277.368 1.906 20 5 CDBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@H](C)[NH3+] ZINC001246979879 932589755 /nfs/dbraw/zinc/58/97/55/932589755.db2.gz FIZGMPGWKPNREH-WDEREUQCSA-N 2 2 251.330 1.805 20 5 CDBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+](C)C[C@H](C)[NH3+] ZINC001246979879 932589761 /nfs/dbraw/zinc/58/97/61/932589761.db2.gz FIZGMPGWKPNREH-WDEREUQCSA-N 2 2 251.330 1.805 20 5 CDBDLP Cc1cc([N+](=O)[O-])cnc1-n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001155053101 937627185 /nfs/dbraw/zinc/62/71/85/937627185.db2.gz LESYDGHLSSGJDR-UHFFFAOYSA-N 2 2 287.323 1.951 20 5 CDBDLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254573005 947531111 /nfs/dbraw/zinc/53/11/11/947531111.db2.gz VFMKPIHXRLOTND-GXFFZTMASA-N 2 2 263.341 1.602 20 5 CDBDLP Nc1[nH+]cccc1CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC001308741972 956570640 /nfs/dbraw/zinc/57/06/40/956570640.db2.gz XOIYSWBPSDGUBS-UHFFFAOYSA-N 2 2 287.323 1.537 20 5 CDBDLP CC[C@H]([NH3+])C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000591281311 342624164 /nfs/dbraw/zinc/62/41/64/342624164.db2.gz KIMOEOYBAIGLFV-JTQLQIEISA-N 2 2 281.312 1.193 20 5 CDBDLP O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000385350818 373177586 /nfs/dbraw/zinc/17/75/86/373177586.db2.gz FEYIOQSWEWZACX-OCCSQVGLSA-N 2 2 261.325 1.431 20 5 CDBDLP O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000385350818 373177593 /nfs/dbraw/zinc/17/75/93/373177593.db2.gz FEYIOQSWEWZACX-OCCSQVGLSA-N 2 2 261.325 1.431 20 5 CDBDLP C[NH+](C)C[C@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000113515286 374260982 /nfs/dbraw/zinc/26/09/82/374260982.db2.gz QDOSERGJAGVODS-CYBMUJFWSA-N 2 2 293.367 1.857 20 5 CDBDLP C[NH+](C)C[C@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000113515286 374260985 /nfs/dbraw/zinc/26/09/85/374260985.db2.gz QDOSERGJAGVODS-CYBMUJFWSA-N 2 2 293.367 1.857 20 5 CDBDLP Cc1cc(N[C@@H]2CC[NH2+]C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000420136315 374287146 /nfs/dbraw/zinc/28/71/46/374287146.db2.gz JCGIFPLYQZEAKQ-GFCCVEGCSA-N 2 2 299.334 1.556 20 5 CDBDLP C[NH2+]CCNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420155775 374289356 /nfs/dbraw/zinc/28/93/56/374289356.db2.gz LTGPRQLGXJIEEK-UHFFFAOYSA-N 2 2 287.323 1.413 20 5 CDBDLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000131551725 375284266 /nfs/dbraw/zinc/28/42/66/375284266.db2.gz DQWWGTQGLLACAN-IUCAKERBSA-N 2 2 255.343 1.825 20 5 CDBDLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000131551725 375284274 /nfs/dbraw/zinc/28/42/74/375284274.db2.gz DQWWGTQGLLACAN-IUCAKERBSA-N 2 2 255.343 1.825 20 5 CDBDLP O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000415091916 391014839 /nfs/dbraw/zinc/01/48/39/391014839.db2.gz DLYHQJSEOQURBX-MASHWEEQSA-N 2 2 277.324 1.186 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000430547118 393101406 /nfs/dbraw/zinc/10/14/06/393101406.db2.gz FEDOHKQAWKTOHQ-AWEZNQCLSA-N 2 2 279.340 1.820 20 5 CDBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423197383 397602485 /nfs/dbraw/zinc/60/24/85/397602485.db2.gz ZERNPAOSDGRJKV-DGCLKSJQSA-N 2 2 263.341 1.867 20 5 CDBDLP C[NH2+]C[C@H]1CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000071146056 176042140 /nfs/dbraw/zinc/04/21/40/176042140.db2.gz JBNLQXPTSPYKHB-SNVBAGLBSA-N 2 2 267.304 1.775 20 5 CDBDLP C[NH2+]C[C@H]1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000071146056 176042141 /nfs/dbraw/zinc/04/21/41/176042141.db2.gz JBNLQXPTSPYKHB-SNVBAGLBSA-N 2 2 267.304 1.775 20 5 CDBDLP O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCn2cc[nH+]c2)c1 ZINC000818957826 681855468 /nfs/dbraw/zinc/85/54/68/681855468.db2.gz HHSYYSGQYODEMK-ZDUSSCGKSA-N 2 2 276.296 1.115 20 5 CDBDLP [NH3+]C[C@@H]1CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000050248238 683826321 /nfs/dbraw/zinc/82/63/21/683826321.db2.gz HGONAFKPSRVRDK-VIFPVBQESA-N 2 2 253.277 1.515 20 5 CDBDLP [NH3+]C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000050248238 683826327 /nfs/dbraw/zinc/82/63/27/683826327.db2.gz HGONAFKPSRVRDK-VIFPVBQESA-N 2 2 253.277 1.515 20 5 CDBDLP O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2C[NH2+]CCCO2)cc1Cl ZINC000841087228 683954821 /nfs/dbraw/zinc/95/48/21/683954821.db2.gz RWCCPWPXKTVWGE-LLVKDONJSA-N 2 2 299.758 1.716 20 5 CDBDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cccnc3[N+](=O)[O-])CC[C@H]21 ZINC000886044535 684050629 /nfs/dbraw/zinc/05/06/29/684050629.db2.gz ZFKJWNMVPJHFDG-TZMCWYRMSA-N 2 2 290.367 1.906 20 5 CDBDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccnc3[N+](=O)[O-])CC[C@H]21 ZINC000886044535 684050631 /nfs/dbraw/zinc/05/06/31/684050631.db2.gz ZFKJWNMVPJHFDG-TZMCWYRMSA-N 2 2 290.367 1.906 20 5 CDBDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccnc3[N+](=O)[O-])CC[C@H]21 ZINC000886044535 684050632 /nfs/dbraw/zinc/05/06/32/684050632.db2.gz ZFKJWNMVPJHFDG-TZMCWYRMSA-N 2 2 290.367 1.906 20 5 CDBDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccnc3[N+](=O)[O-])CC[C@H]21 ZINC000886044535 684050633 /nfs/dbraw/zinc/05/06/33/684050633.db2.gz ZFKJWNMVPJHFDG-TZMCWYRMSA-N 2 2 290.367 1.906 20 5 CDBDLP O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCCn2cc[nH+]c2)C1 ZINC001168958829 927579686 /nfs/dbraw/zinc/57/96/86/927579686.db2.gz QDMNLWLKBBVJBC-VXGBXAGGSA-N 2 2 252.318 1.308 20 5 CDBDLP O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CC[NH2+]C2CC2)n1 ZINC000591577288 342637791 /nfs/dbraw/zinc/63/77/91/342637791.db2.gz MKGMCSOIGLNNSI-OLZOCXBDSA-N 2 2 293.371 1.617 20 5 CDBDLP O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000174871551 364586760 /nfs/dbraw/zinc/58/67/60/364586760.db2.gz VYZPDQIFJIZFKW-CYBMUJFWSA-N 2 2 293.371 1.209 20 5 CDBDLP O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000174871551 364586764 /nfs/dbraw/zinc/58/67/64/364586764.db2.gz VYZPDQIFJIZFKW-CYBMUJFWSA-N 2 2 293.371 1.209 20 5 CDBDLP C[C@@H](C[NH3+])[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420293263 244036393 /nfs/dbraw/zinc/03/63/93/244036393.db2.gz QQIFQVDYMMQYOI-JTQLQIEISA-N 2 2 280.328 1.202 20 5 CDBDLP C[C@@H](C[NH3+])[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420293263 244036396 /nfs/dbraw/zinc/03/63/96/244036396.db2.gz QQIFQVDYMMQYOI-JTQLQIEISA-N 2 2 280.328 1.202 20 5 CDBDLP Cc1c(NC(=O)CC[N@H+](C)CC[NH3+])cccc1[N+](=O)[O-] ZINC000420367944 244157075 /nfs/dbraw/zinc/15/70/75/244157075.db2.gz ANMZXRYUBADVPO-UHFFFAOYSA-N 2 2 280.328 1.122 20 5 CDBDLP Cc1c(NC(=O)CC[N@@H+](C)CC[NH3+])cccc1[N+](=O)[O-] ZINC000420367944 244157078 /nfs/dbraw/zinc/15/70/78/244157078.db2.gz ANMZXRYUBADVPO-UHFFFAOYSA-N 2 2 280.328 1.122 20 5 CDBDLP COc1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000414932442 371144110 /nfs/dbraw/zinc/14/41/10/371144110.db2.gz RCTLLKLNXZZWMO-CMPLNLGQSA-N 2 2 279.340 1.691 20 5 CDBDLP Cc1cc(N[C@@H](C)C[NH3+])nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000420237791 392911504 /nfs/dbraw/zinc/91/15/04/392911504.db2.gz CMRAUFQBPSVJLP-JTQLQIEISA-N 2 2 287.323 1.541 20 5 CDBDLP [NH3+]C[C@@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000430937051 393105186 /nfs/dbraw/zinc/10/51/86/393105186.db2.gz YUPZWIKCSSHAIF-VIFPVBQESA-N 2 2 253.277 1.515 20 5 CDBDLP [NH3+]C[C@@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000430937051 393105191 /nfs/dbraw/zinc/10/51/91/393105191.db2.gz YUPZWIKCSSHAIF-VIFPVBQESA-N 2 2 253.277 1.515 20 5 CDBDLP C[C@@]1(C[NH3+])CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000261829693 140395220 /nfs/dbraw/zinc/39/52/20/140395220.db2.gz PXMVWZKZJDIUCG-ZDUSSCGKSA-N 2 2 267.304 1.905 20 5 CDBDLP C[C@@]1(C[NH3+])CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000261829693 140395221 /nfs/dbraw/zinc/39/52/21/140395221.db2.gz PXMVWZKZJDIUCG-ZDUSSCGKSA-N 2 2 267.304 1.905 20 5 CDBDLP C[C@]1(C[NH3+])CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000261829690 140395331 /nfs/dbraw/zinc/39/53/31/140395331.db2.gz PXMVWZKZJDIUCG-CYBMUJFWSA-N 2 2 267.304 1.905 20 5 CDBDLP C[C@]1(C[NH3+])CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000261829690 140395332 /nfs/dbraw/zinc/39/53/32/140395332.db2.gz PXMVWZKZJDIUCG-CYBMUJFWSA-N 2 2 267.304 1.905 20 5 CDBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359288595 158200084 /nfs/dbraw/zinc/20/00/84/158200084.db2.gz ZSNWOWMFPVXEOR-STQMWFEESA-N 2 2 291.351 1.645 20 5 CDBDLP C[NH2+]CCC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000435879767 277022379 /nfs/dbraw/zinc/02/23/79/277022379.db2.gz LTWSTKILSAYIIS-UHFFFAOYSA-N 2 2 278.356 1.326 20 5 CDBDLP C[C@@H]1C[C@H]([NH2+]CC[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000905152493 626637940 /nfs/dbraw/zinc/63/79/40/626637940.db2.gz DXTVJBZLIAKMGU-UKRRQHHQSA-N 2 2 277.368 1.906 20 5 CDBDLP C[C@@H]1C[C@H]([NH2+]CC[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000905152493 626637944 /nfs/dbraw/zinc/63/79/44/626637944.db2.gz DXTVJBZLIAKMGU-UKRRQHHQSA-N 2 2 277.368 1.906 20 5 CDBDLP Cc1ccnc(NCC[NH+]2CCC([NH3+])CC2)c1[N+](=O)[O-] ZINC000721988316 687421527 /nfs/dbraw/zinc/42/15/27/687421527.db2.gz XSSVGDQOCONNMQ-UHFFFAOYSA-N 2 2 279.344 1.133 20 5 CDBDLP O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](CC3CCC3)C2)C1 ZINC001168992815 927601592 /nfs/dbraw/zinc/60/15/92/927601592.db2.gz KWTWEHFGBOVIDN-KKUMJFAQSA-N 2 2 281.400 1.896 20 5 CDBDLP O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](CC3CCC3)C2)C1 ZINC001168992815 927601599 /nfs/dbraw/zinc/60/15/99/927601599.db2.gz KWTWEHFGBOVIDN-KKUMJFAQSA-N 2 2 281.400 1.896 20 5 CDBDLP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001246545543 931673455 /nfs/dbraw/zinc/67/34/55/931673455.db2.gz WDMFUAMSMPCKSM-MISXGVKJSA-N 2 2 263.341 1.947 20 5 CDBDLP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001246545543 931673456 /nfs/dbraw/zinc/67/34/56/931673456.db2.gz WDMFUAMSMPCKSM-MISXGVKJSA-N 2 2 263.341 1.947 20 5 CDBDLP Cc1[nH+]cn([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1CC[NH3+] ZINC001254584340 947540546 /nfs/dbraw/zinc/54/05/46/947540546.db2.gz ROUVAXMEAZPDGQ-CQSZACIVSA-N 2 2 286.335 1.941 20 5 CDBDLP O=[N+]([O-])c1ccc(CC[N@@H+]2CCn3c[nH+]cc3C2)cc1 ZINC000590599155 342579655 /nfs/dbraw/zinc/57/96/55/342579655.db2.gz JKKKQTITIZLTRH-UHFFFAOYSA-N 2 2 272.308 1.850 20 5 CDBDLP O=[N+]([O-])c1ccc(CC[N@H+]2CCn3c[nH+]cc3C2)cc1 ZINC000590599155 342579656 /nfs/dbraw/zinc/57/96/56/342579656.db2.gz JKKKQTITIZLTRH-UHFFFAOYSA-N 2 2 272.308 1.850 20 5 CDBDLP C[NH2+]CCC[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000591275896 342623908 /nfs/dbraw/zinc/62/39/08/342623908.db2.gz WEZWNHFOMGMXCE-UHFFFAOYSA-N 2 2 281.312 1.065 20 5 CDBDLP [NH3+]C[C@@H]1CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000592425052 342690209 /nfs/dbraw/zinc/69/02/09/342690209.db2.gz RWYHHUQIBJGEHI-JTQLQIEISA-N 2 2 293.323 1.147 20 5 CDBDLP [NH3+]C[C@@H]1CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000592425052 342690211 /nfs/dbraw/zinc/69/02/11/342690211.db2.gz RWYHHUQIBJGEHI-JTQLQIEISA-N 2 2 293.323 1.147 20 5 CDBDLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@H]1C ZINC000603435297 344808727 /nfs/dbraw/zinc/80/87/27/344808727.db2.gz XKEZBDAXEIRVIN-WOPDTQHZSA-N 2 2 281.360 1.239 20 5 CDBDLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@H]1C ZINC000603435297 344808729 /nfs/dbraw/zinc/80/87/29/344808729.db2.gz XKEZBDAXEIRVIN-WOPDTQHZSA-N 2 2 281.360 1.239 20 5 CDBDLP CC(C)[C@H]([NH3+])C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000414802276 241396246 /nfs/dbraw/zinc/39/62/46/241396246.db2.gz VKUBYLAJHGQDIK-GFCCVEGCSA-N 2 2 255.293 1.807 20 5 CDBDLP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CC[NH2+]C1 ZINC000414891791 369280987 /nfs/dbraw/zinc/28/09/87/369280987.db2.gz XFRKMASMJYXUPX-CMPLNLGQSA-N 2 2 292.339 1.263 20 5 CDBDLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000423011837 374366892 /nfs/dbraw/zinc/36/68/92/374366892.db2.gz JMEWHZSUOWZDEK-BXUZGUMPSA-N 2 2 263.341 1.725 20 5 CDBDLP C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CCn1cc[nH+]c1 ZINC000282523023 375091138 /nfs/dbraw/zinc/09/11/38/375091138.db2.gz UBUFDWOZDQSUAD-UHFFFAOYSA-N 2 2 274.324 1.966 20 5 CDBDLP C[N@H+](CCc1cccc([N+](=O)[O-])c1)CCn1cc[nH+]c1 ZINC000282523023 375091144 /nfs/dbraw/zinc/09/11/44/375091144.db2.gz UBUFDWOZDQSUAD-UHFFFAOYSA-N 2 2 274.324 1.966 20 5 CDBDLP C[C@@H](C[NH3+])[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000430919296 390942368 /nfs/dbraw/zinc/94/23/68/390942368.db2.gz QCDFMJOIGUKFFV-JTQLQIEISA-N 2 2 253.302 1.253 20 5 CDBDLP C[C@@H](C[NH3+])[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000430919296 390942369 /nfs/dbraw/zinc/94/23/69/390942369.db2.gz QCDFMJOIGUKFFV-JTQLQIEISA-N 2 2 253.302 1.253 20 5 CDBDLP COCC[NH2+]CC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423331672 392961741 /nfs/dbraw/zinc/96/17/41/392961741.db2.gz MTTUFMUFABNKAU-LBPRGKRZSA-N 2 2 281.356 1.351 20 5 CDBDLP O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000261669922 140373136 /nfs/dbraw/zinc/37/31/36/140373136.db2.gz ZWYYZCPDLKMMNI-AWEZNQCLSA-N 2 2 261.325 1.780 20 5 CDBDLP O=[N+]([O-])c1ccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000261669922 140373137 /nfs/dbraw/zinc/37/31/37/140373137.db2.gz ZWYYZCPDLKMMNI-AWEZNQCLSA-N 2 2 261.325 1.780 20 5 CDBDLP O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261741042 140383259 /nfs/dbraw/zinc/38/32/59/140383259.db2.gz MBSYJPNNEYUDEW-CQSZACIVSA-N 2 2 279.315 1.919 20 5 CDBDLP O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261741042 140383261 /nfs/dbraw/zinc/38/32/61/140383261.db2.gz MBSYJPNNEYUDEW-CQSZACIVSA-N 2 2 279.315 1.919 20 5 CDBDLP Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000363122551 159298934 /nfs/dbraw/zinc/29/89/34/159298934.db2.gz PTUDEGSOXPEDHE-JTQLQIEISA-N 2 2 290.327 1.431 20 5 CDBDLP Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000363122551 159298935 /nfs/dbraw/zinc/29/89/35/159298935.db2.gz PTUDEGSOXPEDHE-JTQLQIEISA-N 2 2 290.327 1.431 20 5 CDBDLP O=[N+]([O-])CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000930060172 632509652 /nfs/dbraw/zinc/50/96/52/632509652.db2.gz GMICSHJNTAXTGO-YPMHNXCESA-N 2 2 253.346 1.212 20 5 CDBDLP O=[N+]([O-])CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000930060172 632509673 /nfs/dbraw/zinc/50/96/73/632509673.db2.gz GMICSHJNTAXTGO-YPMHNXCESA-N 2 2 253.346 1.212 20 5 CDBDLP O=[N+]([O-])CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000930060172 632509685 /nfs/dbraw/zinc/50/96/85/632509685.db2.gz GMICSHJNTAXTGO-YPMHNXCESA-N 2 2 253.346 1.212 20 5 CDBDLP O=[N+]([O-])CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000930060172 632509688 /nfs/dbraw/zinc/50/96/88/632509688.db2.gz GMICSHJNTAXTGO-YPMHNXCESA-N 2 2 253.346 1.212 20 5 CDBDLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000133800307 694095475 /nfs/dbraw/zinc/09/54/75/694095475.db2.gz DPLXONOSDCPEJT-YPMHNXCESA-N 2 2 279.340 1.451 20 5 CDBDLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886830434 694319737 /nfs/dbraw/zinc/31/97/37/694319737.db2.gz QTAOXAANBDOPTA-GHMZBOCLSA-N 2 2 264.329 1.549 20 5 CDBDLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886830434 694319744 /nfs/dbraw/zinc/31/97/44/694319744.db2.gz QTAOXAANBDOPTA-GHMZBOCLSA-N 2 2 264.329 1.549 20 5 CDBDLP C[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000932178921 694835640 /nfs/dbraw/zinc/83/56/40/694835640.db2.gz UNCXPERCFIYRMI-ABAIWWIYSA-N 2 2 293.367 1.701 20 5 CDBDLP C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000932178921 694835642 /nfs/dbraw/zinc/83/56/42/694835642.db2.gz UNCXPERCFIYRMI-ABAIWWIYSA-N 2 2 293.367 1.701 20 5 CDBDLP CC[NH+]1CCC([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000818941135 723408642 /nfs/dbraw/zinc/40/86/42/723408642.db2.gz PCZCHDLVLBPURJ-HNNXBMFYSA-N 2 2 293.367 1.702 20 5 CDBDLP Cc1c(NC(=[NH2+])N2CC[NH+](C)CC2)cc(F)cc1[N+](=O)[O-] ZINC001168735613 921848476 /nfs/dbraw/zinc/84/84/76/921848476.db2.gz CWTAWTZZRJESHR-UHFFFAOYSA-N 2 2 295.318 1.636 20 5 CDBDLP CC1CC[NH+](CC[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168957860 927579093 /nfs/dbraw/zinc/57/90/93/927579093.db2.gz JUYQTWIDLMXTKH-KBPBESRZSA-N 2 2 269.389 1.753 20 5 CDBDLP O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC(n3cc[nH+]c3)CC2)C1 ZINC001169037105 927646900 /nfs/dbraw/zinc/64/69/00/927646900.db2.gz IYSBJBZEUVRDCM-OCCSQVGLSA-N 2 2 278.356 1.965 20 5 CDBDLP CC[N@H+](CCn1cc[nH+]c1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169049143 927666244 /nfs/dbraw/zinc/66/62/44/927666244.db2.gz VZXDBLBSXXZPKE-OLZOCXBDSA-N 2 2 266.345 1.650 20 5 CDBDLP CC[N@@H+](CCn1cc[nH+]c1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169049143 927666249 /nfs/dbraw/zinc/66/62/49/927666249.db2.gz VZXDBLBSXXZPKE-OLZOCXBDSA-N 2 2 266.345 1.650 20 5 CDBDLP C[C@H]([NH3+])C[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000863568822 929572394 /nfs/dbraw/zinc/57/23/94/929572394.db2.gz NMJQFTXPCZGCOQ-JTQLQIEISA-N 2 2 280.328 1.202 20 5 CDBDLP C[C@H]([NH3+])C[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000863568822 929572398 /nfs/dbraw/zinc/57/23/98/929572398.db2.gz NMJQFTXPCZGCOQ-JTQLQIEISA-N 2 2 280.328 1.202 20 5 CDBDLP [NH3+]C1CC[NH+](CCNc2cc(Cl)ncc2[N+](=O)[O-])CC1 ZINC001161866896 938937202 /nfs/dbraw/zinc/93/72/02/938937202.db2.gz FSEAEYVSUHVKCU-UHFFFAOYSA-N 2 2 299.762 1.478 20 5 CDBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCC[NH3+] ZINC000592473557 342698492 /nfs/dbraw/zinc/69/84/92/342698492.db2.gz AOKPXHTYPKHPPH-SNVBAGLBSA-N 2 2 280.328 1.202 20 5 CDBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CCC[NH3+] ZINC000592473557 342698494 /nfs/dbraw/zinc/69/84/94/342698494.db2.gz AOKPXHTYPKHPPH-SNVBAGLBSA-N 2 2 280.328 1.202 20 5 CDBDLP CC[N@H+](CC[NH3+])CCOc1cccc([N+](=O)[O-])c1 ZINC000600715530 342244198 /nfs/dbraw/zinc/24/41/98/342244198.db2.gz GUDWGPKJSDODMX-UHFFFAOYSA-N 2 2 253.302 1.254 20 5 CDBDLP CC[N@@H+](CC[NH3+])CCOc1cccc([N+](=O)[O-])c1 ZINC000600715530 342244199 /nfs/dbraw/zinc/24/41/99/342244199.db2.gz GUDWGPKJSDODMX-UHFFFAOYSA-N 2 2 253.302 1.254 20 5 CDBDLP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000603432943 344803723 /nfs/dbraw/zinc/80/37/23/344803723.db2.gz KVPIDRSJTNJLHZ-VXGBXAGGSA-N 2 2 267.304 1.949 20 5 CDBDLP C[NH2+]CC[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000414822378 366959236 /nfs/dbraw/zinc/95/92/36/366959236.db2.gz GIJSLUNLLUYFCO-SNVBAGLBSA-N 2 2 280.328 1.121 20 5 CDBDLP CCC[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000154318860 374696372 /nfs/dbraw/zinc/69/63/72/374696372.db2.gz QNUSOKKMVAHSME-GJZGRUSLSA-N 2 2 295.383 1.948 20 5 CDBDLP Cc1c([C@H](C)[NH2+]C[C@H](O)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000154310261 374695142 /nfs/dbraw/zinc/69/51/42/374695142.db2.gz YZIPYLNCVBQTDV-RYUDHWBXSA-N 2 2 281.356 1.476 20 5 CDBDLP C[NH2+]C[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000430918378 390942433 /nfs/dbraw/zinc/94/24/33/390942433.db2.gz HIYCJSZPXNMTEJ-SNVBAGLBSA-N 2 2 290.323 1.777 20 5 CDBDLP C[NH2+]C[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000430918378 390942434 /nfs/dbraw/zinc/94/24/34/390942434.db2.gz HIYCJSZPXNMTEJ-SNVBAGLBSA-N 2 2 290.323 1.777 20 5 CDBDLP C[N@H+](CCn1cc[nH+]c1)Cc1ccccc1[N+](=O)[O-] ZINC000179449236 390956019 /nfs/dbraw/zinc/95/60/19/390956019.db2.gz GCEFYJAEUBHSBB-UHFFFAOYSA-N 2 2 260.297 1.923 20 5 CDBDLP C[N@@H+](CCn1cc[nH+]c1)Cc1ccccc1[N+](=O)[O-] ZINC000179449236 390956020 /nfs/dbraw/zinc/95/60/20/390956020.db2.gz GCEFYJAEUBHSBB-UHFFFAOYSA-N 2 2 260.297 1.923 20 5 CDBDLP O=[N+]([O-])c1ccccc1OCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359280759 158196845 /nfs/dbraw/zinc/19/68/45/158196845.db2.gz IEMBOVALWKNXGX-RYUDHWBXSA-N 2 2 277.324 1.125 20 5 CDBDLP [NH3+]C[C@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000044528026 175192521 /nfs/dbraw/zinc/19/25/21/175192521.db2.gz SHAVINQOYJKDPS-SECBINFHSA-N 2 2 255.343 1.827 20 5 CDBDLP [NH3+]C[C@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000044528026 175192522 /nfs/dbraw/zinc/19/25/22/175192522.db2.gz SHAVINQOYJKDPS-SECBINFHSA-N 2 2 255.343 1.827 20 5 CDBDLP CC[N@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C1CC[NH+](C)CC1 ZINC001169029093 927635656 /nfs/dbraw/zinc/63/56/56/927635656.db2.gz UGTUMJIHCIWKSY-JSGCOSHPSA-N 2 2 269.389 1.848 20 5 CDBDLP CC[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C1CC[NH+](C)CC1 ZINC001169029093 927635664 /nfs/dbraw/zinc/63/56/64/927635664.db2.gz UGTUMJIHCIWKSY-JSGCOSHPSA-N 2 2 269.389 1.848 20 5 CDBDLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000601330038 342554759 /nfs/dbraw/zinc/55/47/59/342554759.db2.gz PHCPGRNLKCMZBK-MNOVXSKESA-N 2 2 265.313 1.395 20 5 CDBDLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000601330038 342554760 /nfs/dbraw/zinc/55/47/60/342554760.db2.gz PHCPGRNLKCMZBK-MNOVXSKESA-N 2 2 265.313 1.395 20 5 CDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000593902599 342853826 /nfs/dbraw/zinc/85/38/26/342853826.db2.gz BHKCGNICJAROAY-NSHDSACASA-N 2 2 280.328 1.121 20 5 CDBDLP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000595019574 342996046 /nfs/dbraw/zinc/99/60/46/342996046.db2.gz RJUUKHFFNICSER-ZYHUDNBSSA-N 2 2 297.355 1.177 20 5 CDBDLP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000595415752 343054259 /nfs/dbraw/zinc/05/42/59/343054259.db2.gz SHTZSOZDWKDLNU-SWLSCSKDSA-N 2 2 295.383 1.947 20 5 CDBDLP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000595415752 343054260 /nfs/dbraw/zinc/05/42/60/343054260.db2.gz SHTZSOZDWKDLNU-SWLSCSKDSA-N 2 2 295.383 1.947 20 5 CDBDLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000423513044 374388646 /nfs/dbraw/zinc/38/86/46/374388646.db2.gz BYFFCISWCBLYRP-ZWNOBZJWSA-N 2 2 265.313 1.234 20 5 CDBDLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000133800087 139870940 /nfs/dbraw/zinc/87/09/40/139870940.db2.gz DPLXONOSDCPEJT-AAEUAGOBSA-N 2 2 279.340 1.451 20 5 CDBDLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3csc([N+](=O)[O-])c3)C[C@@H]12 ZINC000261588946 140358050 /nfs/dbraw/zinc/35/80/50/140358050.db2.gz VYZDIKAJKWCQSH-GMTAPVOTSA-N 2 2 267.354 1.825 20 5 CDBDLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3csc([N+](=O)[O-])c3)C[C@@H]12 ZINC000261588946 140358052 /nfs/dbraw/zinc/35/80/52/140358052.db2.gz VYZDIKAJKWCQSH-GMTAPVOTSA-N 2 2 267.354 1.825 20 5 CDBDLP O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(F)c1 ZINC000261843234 140397932 /nfs/dbraw/zinc/39/79/32/140397932.db2.gz VYHATJOITMESDJ-ZYHUDNBSSA-N 2 2 279.315 1.775 20 5 CDBDLP O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(F)c1 ZINC000261843234 140397933 /nfs/dbraw/zinc/39/79/33/140397933.db2.gz VYHATJOITMESDJ-ZYHUDNBSSA-N 2 2 279.315 1.775 20 5 CDBDLP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CC[NH2+]C1 ZINC000423208348 397602982 /nfs/dbraw/zinc/60/29/82/397602982.db2.gz TVDSOPMRXGGVOP-CMPLNLGQSA-N 2 2 292.339 1.263 20 5 CDBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC([NH3+])CC1 ZINC000346632808 153250533 /nfs/dbraw/zinc/25/05/33/153250533.db2.gz FBDOUOZVSBJITM-UHFFFAOYSA-N 2 2 279.340 1.917 20 5 CDBDLP O=[N+]([O-])c1ccccc1OCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359280764 158196413 /nfs/dbraw/zinc/19/64/13/158196413.db2.gz IEMBOVALWKNXGX-TXEJJXNPSA-N 2 2 277.324 1.125 20 5 CDBDLP O=[N+]([O-])c1ccccc1OCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359280764 158196418 /nfs/dbraw/zinc/19/64/18/158196418.db2.gz IEMBOVALWKNXGX-TXEJJXNPSA-N 2 2 277.324 1.125 20 5 CDBDLP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[NH2+]C1)CCC2 ZINC000423220399 275038067 /nfs/dbraw/zinc/03/80/67/275038067.db2.gz XSFHCROCVRIZQD-FZMZJTMJSA-N 2 2 261.325 1.924 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+]CC1([NH3+])CCC1 ZINC000342130215 536955411 /nfs/dbraw/zinc/95/54/11/536955411.db2.gz LQQHJFIUGIXTIS-UHFFFAOYSA-N 2 2 265.313 1.574 20 5 CDBDLP [NH3+]CC[N@H+](Cc1ccccc1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168956637 927577097 /nfs/dbraw/zinc/57/70/97/927577097.db2.gz CBZLWWZQJURPFT-HUUCEWRRSA-N 2 2 277.368 1.893 20 5 CDBDLP [NH3+]CC[N@@H+](Cc1ccccc1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168956637 927577104 /nfs/dbraw/zinc/57/71/04/927577104.db2.gz CBZLWWZQJURPFT-HUUCEWRRSA-N 2 2 277.368 1.893 20 5 CDBDLP Cc1c(F)cc([N+](=O)[O-])cc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169075444 927694148 /nfs/dbraw/zinc/69/41/48/927694148.db2.gz HCNYBXBPSSVKLX-SECBINFHSA-N 2 2 294.286 1.090 20 5 CDBDLP [NH3+][C@@H]1CC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC[C@@H]1F ZINC001246568755 948290092 /nfs/dbraw/zinc/29/00/92/948290092.db2.gz AYWFSTOODOXAEO-QLFBSQMISA-N 2 2 293.342 1.823 20 5 CDBDLP [NH3+][C@@H]1CC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC[C@@H]1F ZINC001246568755 948290099 /nfs/dbraw/zinc/29/00/99/948290099.db2.gz AYWFSTOODOXAEO-QLFBSQMISA-N 2 2 293.342 1.823 20 5 CDBDLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC[N+](=O)[O-] ZINC001334683885 959284303 /nfs/dbraw/zinc/28/43/03/959284303.db2.gz DKISRIFFCBDXSZ-ZFWWWQNUSA-N 2 2 277.368 1.763 20 5 CDBDLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC[N+](=O)[O-] ZINC001334683885 959284311 /nfs/dbraw/zinc/28/43/11/959284311.db2.gz DKISRIFFCBDXSZ-ZFWWWQNUSA-N 2 2 277.368 1.763 20 5 CDBDLP O=[N+]([O-])c1ccc(CC[NH2+]CC[NH+]2CCC(O)CC2)cc1 ZINC000322259193 342185538 /nfs/dbraw/zinc/18/55/38/342185538.db2.gz SCHGZZWWNUVGMJ-UHFFFAOYSA-N 2 2 293.367 1.184 20 5 CDBDLP [NH3+][C@]12CCC[C@@H]1C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000598684979 343864932 /nfs/dbraw/zinc/86/49/32/343864932.db2.gz ZOCLMFSDJGTVEZ-HIFRSBDPSA-N 2 2 275.352 1.951 20 5 CDBDLP [NH3+][C@]12CCC[C@@H]1C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000598684979 343864934 /nfs/dbraw/zinc/86/49/34/343864934.db2.gz ZOCLMFSDJGTVEZ-HIFRSBDPSA-N 2 2 275.352 1.951 20 5 CDBDLP C[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@H](C[NH3+])C1CC1 ZINC000359984737 356453757 /nfs/dbraw/zinc/45/37/57/356453757.db2.gz MMUWHWFFZMAMBK-CYBMUJFWSA-N 2 2 279.340 1.643 20 5 CDBDLP C[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@H](C[NH3+])C1CC1 ZINC000359984737 356453758 /nfs/dbraw/zinc/45/37/58/356453758.db2.gz MMUWHWFFZMAMBK-CYBMUJFWSA-N 2 2 279.340 1.643 20 5 CDBDLP O=[N+]([O-])c1cccc(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)c1 ZINC000581920864 364053243 /nfs/dbraw/zinc/05/32/43/364053243.db2.gz OAAFAWRUHBCXDK-UHFFFAOYSA-N 2 2 287.323 1.640 20 5 CDBDLP C[NH2+]CCC[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000420389433 244190199 /nfs/dbraw/zinc/19/01/99/244190199.db2.gz OATFQSKYIOOAFO-UHFFFAOYSA-N 2 2 278.312 1.777 20 5 CDBDLP C[NH2+]CCC[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000420389433 244190204 /nfs/dbraw/zinc/19/02/04/244190204.db2.gz OATFQSKYIOOAFO-UHFFFAOYSA-N 2 2 278.312 1.777 20 5 CDBDLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293834760 375039836 /nfs/dbraw/zinc/03/98/36/375039836.db2.gz SOUDIMAQBOJZKD-CMPLNLGQSA-N 2 2 278.356 1.922 20 5 CDBDLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293834760 375039839 /nfs/dbraw/zinc/03/98/39/375039839.db2.gz SOUDIMAQBOJZKD-CMPLNLGQSA-N 2 2 278.356 1.922 20 5 CDBDLP O=C(CC[N@@H+]1CCC[NH2+]CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000430918797 390942350 /nfs/dbraw/zinc/94/23/50/390942350.db2.gz IXTXODKQDNSVNT-UHFFFAOYSA-N 2 2 292.339 1.219 20 5 CDBDLP O=C(CC[N@H+]1CCC[NH2+]CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000430918797 390942351 /nfs/dbraw/zinc/94/23/51/390942351.db2.gz IXTXODKQDNSVNT-UHFFFAOYSA-N 2 2 292.339 1.219 20 5 CDBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+]CC1([NH3+])CCC1 ZINC000342120938 130276969 /nfs/dbraw/zinc/27/69/69/130276969.db2.gz AKMFVOCSBFFBOC-UHFFFAOYSA-N 2 2 292.339 1.313 20 5 CDBDLP C[NH2+][C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000430627129 393102928 /nfs/dbraw/zinc/10/29/28/393102928.db2.gz SUMJHRWOVMNUCA-GFCCVEGCSA-N 2 2 292.339 1.217 20 5 CDBDLP C[NH2+][C@@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000430627129 393102931 /nfs/dbraw/zinc/10/29/31/393102931.db2.gz SUMJHRWOVMNUCA-GFCCVEGCSA-N 2 2 292.339 1.217 20 5 CDBDLP Cc1c(C[NH2+][C@H](C)C[C@H]2COCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000231883694 140219682 /nfs/dbraw/zinc/21/96/82/140219682.db2.gz OANGXKBOXUCOTM-RISCZKNCSA-N 2 2 293.367 1.760 20 5 CDBDLP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C[C@@H]12 ZINC000261726101 140381312 /nfs/dbraw/zinc/38/13/12/140381312.db2.gz KUICMVHKYWBXMW-MRCXROJRSA-N 2 2 279.315 1.903 20 5 CDBDLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C[C@@H]12 ZINC000261726101 140381313 /nfs/dbraw/zinc/38/13/13/140381313.db2.gz KUICMVHKYWBXMW-MRCXROJRSA-N 2 2 279.315 1.903 20 5 CDBDLP O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359472435 158257265 /nfs/dbraw/zinc/25/72/65/158257265.db2.gz LSURVESSMXGPPC-DRYSKOCLSA-N 2 2 273.336 1.759 20 5 CDBDLP O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359472435 158257267 /nfs/dbraw/zinc/25/72/67/158257267.db2.gz LSURVESSMXGPPC-DRYSKOCLSA-N 2 2 273.336 1.759 20 5 CDBDLP [NH3+]C[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000313342586 260285785 /nfs/dbraw/zinc/28/57/85/260285785.db2.gz GQGFWRHAGTUCGO-ZDUSSCGKSA-N 2 2 265.313 1.144 20 5 CDBDLP [NH3+]C[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000313342586 260285786 /nfs/dbraw/zinc/28/57/86/260285786.db2.gz GQGFWRHAGTUCGO-ZDUSSCGKSA-N 2 2 265.313 1.144 20 5 CDBDLP C[C@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000886840123 728971710 /nfs/dbraw/zinc/97/17/10/728971710.db2.gz UDAGYMLULVZYCF-CMPLNLGQSA-N 2 2 264.329 1.407 20 5 CDBDLP C[C@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000886840123 728971712 /nfs/dbraw/zinc/97/17/12/728971712.db2.gz UDAGYMLULVZYCF-CMPLNLGQSA-N 2 2 264.329 1.407 20 5 CDBDLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001246552277 948260834 /nfs/dbraw/zinc/26/08/34/948260834.db2.gz XQIPUAJVJBKRKG-OWYVNGRQSA-N 2 2 261.325 1.484 20 5 CDBDLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001246552277 948260843 /nfs/dbraw/zinc/26/08/43/948260843.db2.gz XQIPUAJVJBKRKG-OWYVNGRQSA-N 2 2 261.325 1.484 20 5 CDBDLP C[NH2+]C[C@H](C)C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC001325318314 953832862 /nfs/dbraw/zinc/83/28/62/953832862.db2.gz DNUPKGXLKMIWNA-JTQLQIEISA-N 2 2 295.339 1.311 20 5 CDBDLP O=[N+]([O-])c1cccc(C[NH+]2CCC([NH2+]CCO)CC2)c1 ZINC000601328732 342554426 /nfs/dbraw/zinc/55/44/26/342554426.db2.gz XMENHHBERLMAJM-UHFFFAOYSA-N 2 2 279.340 1.141 20 5 CDBDLP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000603432940 344803802 /nfs/dbraw/zinc/80/38/02/344803802.db2.gz KVPIDRSJTNJLHZ-NEPJUHHUSA-N 2 2 267.304 1.949 20 5 CDBDLP CC[N@H+](C)C[C@H]1CC[NH+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174881196 364587964 /nfs/dbraw/zinc/58/79/64/364587964.db2.gz DSCMKHDIYXMHPQ-GFCCVEGCSA-N 2 2 281.360 1.065 20 5 CDBDLP CC[N@@H+](C)C[C@H]1CC[NH+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174881196 364587969 /nfs/dbraw/zinc/58/79/69/364587969.db2.gz DSCMKHDIYXMHPQ-GFCCVEGCSA-N 2 2 281.360 1.065 20 5 CDBDLP CC[NH+](C)C[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174881196 364587973 /nfs/dbraw/zinc/58/79/73/364587973.db2.gz DSCMKHDIYXMHPQ-GFCCVEGCSA-N 2 2 281.360 1.065 20 5 CDBDLP CC[NH+](C)C[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174881196 364587979 /nfs/dbraw/zinc/58/79/79/364587979.db2.gz DSCMKHDIYXMHPQ-GFCCVEGCSA-N 2 2 281.360 1.065 20 5 CDBDLP C[C@H](CC[NH+]1CCOCC1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000076898117 368069181 /nfs/dbraw/zinc/06/91/81/368069181.db2.gz OYFJRSMCMSBFJC-CYBMUJFWSA-N 2 2 293.367 1.795 20 5 CDBDLP Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCN2C)cc1[N+](=O)[O-] ZINC000423473655 374383786 /nfs/dbraw/zinc/38/37/86/374383786.db2.gz HKWUGOMNAGNCHL-JSGCOSHPSA-N 2 2 292.383 1.457 20 5 CDBDLP O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000494426747 393231704 /nfs/dbraw/zinc/23/17/04/393231704.db2.gz CLRQQLFHWRQHPI-LBPRGKRZSA-N 2 2 272.308 1.896 20 5 CDBDLP O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c(F)c1 ZINC000923519041 733115609 /nfs/dbraw/zinc/11/56/09/733115609.db2.gz OECAPOIGJQNQKW-CMPLNLGQSA-N 2 2 279.315 1.775 20 5 CDBDLP O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c(F)c1 ZINC000923519041 733115616 /nfs/dbraw/zinc/11/56/16/733115616.db2.gz OECAPOIGJQNQKW-CMPLNLGQSA-N 2 2 279.315 1.775 20 5 CDBDLP Cc1nc(-n2c[nH+]cc2C2CC[NH2+]CC2)ncc1[N+](=O)[O-] ZINC001155062532 937629952 /nfs/dbraw/zinc/62/99/52/937629952.db2.gz FFAMPQUMOJYLLI-UHFFFAOYSA-N 2 2 288.311 1.346 20 5 CDBDLP [NH3+]C1CC[NH+](CCNc2cc([N+](=O)[O-])cc(Cl)n2)CC1 ZINC001161867632 938937293 /nfs/dbraw/zinc/93/72/93/938937293.db2.gz UEMAHCLQQQOGBX-UHFFFAOYSA-N 2 2 299.762 1.478 20 5 CDBDLP CCOC(=[NH2+])CCCCOC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001224963562 941809484 /nfs/dbraw/zinc/80/94/84/941809484.db2.gz OQWRSFSJLBYIFZ-GFCCVEGCSA-N 2 2 289.396 1.171 20 5 CDBDLP C[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000593902427 342853653 /nfs/dbraw/zinc/85/36/53/342853653.db2.gz SWINMJKILKDOAC-GXFFZTMASA-N 2 2 294.355 1.051 20 5 CDBDLP Cc1c(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000107578049 349707509 /nfs/dbraw/zinc/70/75/09/349707509.db2.gz UKOHDNCKNUQIFE-STQMWFEESA-N 2 2 261.325 1.554 20 5 CDBDLP Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000423530187 374387656 /nfs/dbraw/zinc/38/76/56/374387656.db2.gz WONOWGGOUKSVDD-AAEUAGOBSA-N 2 2 279.340 1.542 20 5 CDBDLP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000266869216 378083050 /nfs/dbraw/zinc/08/30/50/378083050.db2.gz MSDKNKCMPQIAKX-DOMZBBRYSA-N 2 2 293.367 1.702 20 5 CDBDLP COc1ccc(C[NH2+][C@@](C)(C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000430560483 393100610 /nfs/dbraw/zinc/10/06/10/393100610.db2.gz WNENTQYESQDSOB-AWEZNQCLSA-N 2 2 279.340 1.820 20 5 CDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H]([NH3+])C1 ZINC000430599400 393103299 /nfs/dbraw/zinc/10/32/99/393103299.db2.gz ASRUYVRURXFQIT-NSHDSACASA-N 2 2 292.339 1.265 20 5 CDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H]([NH3+])C1 ZINC000430599400 393103305 /nfs/dbraw/zinc/10/33/05/393103305.db2.gz ASRUYVRURXFQIT-NSHDSACASA-N 2 2 292.339 1.265 20 5 CDBDLP COc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000261598896 140361710 /nfs/dbraw/zinc/36/17/10/140361710.db2.gz BAHGSBPVWGMSNH-STQMWFEESA-N 2 2 291.351 1.645 20 5 CDBDLP COc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000261598896 140361711 /nfs/dbraw/zinc/36/17/11/140361711.db2.gz BAHGSBPVWGMSNH-STQMWFEESA-N 2 2 291.351 1.645 20 5 CDBDLP C[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1ccc([N+](=O)[O-])cc1 ZINC000068802083 287038877 /nfs/dbraw/zinc/03/88/77/287038877.db2.gz DNBZWBQBXXUICB-DOMZBBRYSA-N 2 2 292.383 1.491 20 5 CDBDLP C[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1ccc([N+](=O)[O-])cc1 ZINC000068802083 287038878 /nfs/dbraw/zinc/03/88/78/287038878.db2.gz DNBZWBQBXXUICB-DOMZBBRYSA-N 2 2 292.383 1.491 20 5 CDBDLP [NH3+]C1CC([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000906510101 627297591 /nfs/dbraw/zinc/29/75/91/627297591.db2.gz MOTRWYXRIZQKCH-UHFFFAOYSA-N 2 2 287.266 1.776 20 5 CDBDLP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886841622 734983191 /nfs/dbraw/zinc/98/31/91/734983191.db2.gz QWPICVCODWZTPW-UWVGGRQHSA-N 2 2 250.302 1.205 20 5 CDBDLP CC1CC[NH+](CC[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168957863 927580462 /nfs/dbraw/zinc/58/04/62/927580462.db2.gz JUYQTWIDLMXTKH-ZIAGYGMSSA-N 2 2 269.389 1.753 20 5 CDBDLP [NH3+]C[C@H]1CCC[N@@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001246906073 948511714 /nfs/dbraw/zinc/51/17/14/948511714.db2.gz CIRIUEGAIVERKH-ZIAGYGMSSA-N 2 2 261.325 1.485 20 5 CDBDLP [NH3+]C[C@H]1CCC[N@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001246906073 948511716 /nfs/dbraw/zinc/51/17/16/948511716.db2.gz CIRIUEGAIVERKH-ZIAGYGMSSA-N 2 2 261.325 1.485 20 5 CDBDLP CC1(C)[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1[NH3+] ZINC000603432406 344803700 /nfs/dbraw/zinc/80/37/00/344803700.db2.gz IFMGGUJGVBRMMV-NWDGAFQWSA-N 2 2 267.304 1.949 20 5 CDBDLP Cc1c(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)cccc1[N+](=O)[O-] ZINC000423079922 245548104 /nfs/dbraw/zinc/54/81/04/245548104.db2.gz RMQTUQGPEBUTTO-MFKMUULPSA-N 2 2 263.341 1.991 20 5 CDBDLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3c(F)cccc3[N+](=O)[O-])C[C@H]12 ZINC000351482125 375301426 /nfs/dbraw/zinc/30/14/26/375301426.db2.gz YYPPHNQHDWTACG-GBIKHYSHSA-N 2 2 279.315 1.903 20 5 CDBDLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])C[C@H]12 ZINC000351482125 375301429 /nfs/dbraw/zinc/30/14/29/375301429.db2.gz YYPPHNQHDWTACG-GBIKHYSHSA-N 2 2 279.315 1.903 20 5 CDBDLP [NH3+]C[C@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCCO1 ZINC000415116544 391259834 /nfs/dbraw/zinc/25/98/34/391259834.db2.gz VYKILSYZPBDJGP-ZRFDWSJLSA-N 2 2 291.351 1.658 20 5 CDBDLP [NH3+]C[C@H]1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCCO1 ZINC000415116544 391259836 /nfs/dbraw/zinc/25/98/36/391259836.db2.gz VYKILSYZPBDJGP-ZRFDWSJLSA-N 2 2 291.351 1.658 20 5 CDBDLP Cc1ccc(C[NH2+]C[C@H]2C[NH2+]CCCO2)cc1[N+](=O)[O-] ZINC000415032610 391248002 /nfs/dbraw/zinc/24/80/02/391248002.db2.gz GBEYJCLTJQFQDA-CYBMUJFWSA-N 2 2 279.340 1.371 20 5 CDBDLP CC(C)c1ccc(C[NH2+]C[C@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000415097161 391257016 /nfs/dbraw/zinc/25/70/16/391257016.db2.gz RVTXEKFNCZGDPA-CYBMUJFWSA-N 2 2 293.367 1.796 20 5 CDBDLP C[N@@H+](CCc1ccccc1[N+](=O)[O-])CCn1cc[nH+]c1 ZINC000285433979 196284093 /nfs/dbraw/zinc/28/40/93/196284093.db2.gz WYDZEPAWVSLCIX-UHFFFAOYSA-N 2 2 274.324 1.966 20 5 CDBDLP C[N@H+](CCc1ccccc1[N+](=O)[O-])CCn1cc[nH+]c1 ZINC000285433979 196284095 /nfs/dbraw/zinc/28/40/95/196284095.db2.gz WYDZEPAWVSLCIX-UHFFFAOYSA-N 2 2 274.324 1.966 20 5 CDBDLP C[NH+]1CCC([N@H+](CCO)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000105928012 270236625 /nfs/dbraw/zinc/23/66/25/270236625.db2.gz KLQRCSYQMALOOB-UHFFFAOYSA-N 2 2 293.367 1.483 20 5 CDBDLP C[NH+]1CCC([N@@H+](CCO)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000105928012 270236627 /nfs/dbraw/zinc/23/66/27/270236627.db2.gz KLQRCSYQMALOOB-UHFFFAOYSA-N 2 2 293.367 1.483 20 5 CDBDLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000133944630 278294394 /nfs/dbraw/zinc/29/43/94/278294394.db2.gz IEJHBJQYUIBDQQ-WCQYABFASA-N 2 2 279.340 1.451 20 5 CDBDLP O=[N+]([O-])CC[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000905070756 626616550 /nfs/dbraw/zinc/61/65/50/626616550.db2.gz MJHYEDFGOCOOEI-HNNXBMFYSA-N 2 2 277.368 1.765 20 5 CDBDLP O=[N+]([O-])CC[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000905070756 626616551 /nfs/dbraw/zinc/61/65/51/626616551.db2.gz MJHYEDFGOCOOEI-HNNXBMFYSA-N 2 2 277.368 1.765 20 5 CDBDLP O=[N+]([O-])c1ncccc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515359 738089666 /nfs/dbraw/zinc/08/96/66/738089666.db2.gz DRANJSRIKOJOHE-CMPLNLGQSA-N 2 2 262.313 1.031 20 5 CDBDLP O=[N+]([O-])c1ncccc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515359 738089672 /nfs/dbraw/zinc/08/96/72/738089672.db2.gz DRANJSRIKOJOHE-CMPLNLGQSA-N 2 2 262.313 1.031 20 5 CDBDLP Cc1noc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000595344351 343043383 /nfs/dbraw/zinc/04/33/83/343043383.db2.gz CKASDRBKUICNJG-RYUDHWBXSA-N 2 2 294.355 1.807 20 5 CDBDLP Cc1noc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000595344351 343043384 /nfs/dbraw/zinc/04/33/84/343043384.db2.gz CKASDRBKUICNJG-RYUDHWBXSA-N 2 2 294.355 1.807 20 5 CDBDLP Cc1noc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1[N+](=O)[O-] ZINC000595344351 343043386 /nfs/dbraw/zinc/04/33/86/343043386.db2.gz CKASDRBKUICNJG-RYUDHWBXSA-N 2 2 294.355 1.807 20 5 CDBDLP Cc1noc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1[N+](=O)[O-] ZINC000595344351 343043388 /nfs/dbraw/zinc/04/33/88/343043388.db2.gz CKASDRBKUICNJG-RYUDHWBXSA-N 2 2 294.355 1.807 20 5 CDBDLP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000603432405 344803715 /nfs/dbraw/zinc/80/37/15/344803715.db2.gz IFMGGUJGVBRMMV-NEPJUHHUSA-N 2 2 267.304 1.949 20 5 CDBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000545161473 362642917 /nfs/dbraw/zinc/64/29/17/362642917.db2.gz XABBMTXZOSCVER-DOMZBBRYSA-N 2 2 293.367 1.620 20 5 CDBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000545161473 362642918 /nfs/dbraw/zinc/64/29/18/362642918.db2.gz XABBMTXZOSCVER-DOMZBBRYSA-N 2 2 293.367 1.620 20 5 CDBDLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000422796930 245267076 /nfs/dbraw/zinc/26/70/76/245267076.db2.gz ZLQIDIBIPGEYBT-TZMCWYRMSA-N 2 2 293.367 1.494 20 5 CDBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415038796 391248730 /nfs/dbraw/zinc/24/87/30/391248730.db2.gz OMWAEPMPELOHDB-IMRBUKKESA-N 2 2 277.324 1.301 20 5 CDBDLP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430965400 393108110 /nfs/dbraw/zinc/10/81/10/393108110.db2.gz LEUPPNULZNMIDY-WDEREUQCSA-N 2 2 292.339 1.202 20 5 CDBDLP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430965400 393108112 /nfs/dbraw/zinc/10/81/12/393108112.db2.gz LEUPPNULZNMIDY-WDEREUQCSA-N 2 2 292.339 1.202 20 5 CDBDLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000261589119 140358230 /nfs/dbraw/zinc/35/82/30/140358230.db2.gz KLGVTVNSVCPSST-VHSXEESVSA-N 2 2 267.304 1.903 20 5 CDBDLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000261589119 140358231 /nfs/dbraw/zinc/35/82/31/140358231.db2.gz KLGVTVNSVCPSST-VHSXEESVSA-N 2 2 267.304 1.903 20 5 CDBDLP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001580422703 1172429754 /nfs/dbraw/zinc/42/97/54/1172429754.db2.gz CNNQQROGWKRXJZ-DTORHVGOSA-N 2 2 255.705 1.828 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515818 741464769 /nfs/dbraw/zinc/46/47/69/741464769.db2.gz NJUSOOKPBWTEOP-WCQYABFASA-N 2 2 291.351 1.645 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515818 741464776 /nfs/dbraw/zinc/46/47/76/741464776.db2.gz NJUSOOKPBWTEOP-WCQYABFASA-N 2 2 291.351 1.645 20 5 CDBDLP O=[N+]([O-])c1cc(C[NH2+][C@H]2CCC[NH2+]CC2)cs1 ZINC000591278536 342624177 /nfs/dbraw/zinc/62/41/77/342624177.db2.gz LPLNFUPGSSHLJH-JTQLQIEISA-N 2 2 255.343 1.888 20 5 CDBDLP O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)c(F)c1 ZINC000591278564 342624210 /nfs/dbraw/zinc/62/42/10/342624210.db2.gz RCUDQWWSYYFIEK-NSHDSACASA-N 2 2 267.304 1.966 20 5 CDBDLP C[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C[NH3+])C1 ZINC000226626668 357474622 /nfs/dbraw/zinc/47/46/22/357474622.db2.gz HWCKQMPXTVXGFC-LBPRGKRZSA-N 2 2 298.774 1.323 20 5 CDBDLP C[N@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C[NH3+])C1 ZINC000226626668 357474626 /nfs/dbraw/zinc/47/46/26/357474626.db2.gz HWCKQMPXTVXGFC-LBPRGKRZSA-N 2 2 298.774 1.323 20 5 CDBDLP Cc1ccc(C[NH2+]C[C@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000414789910 241386986 /nfs/dbraw/zinc/38/69/86/241386986.db2.gz GAJZPCQSJKTCMK-LBPRGKRZSA-N 2 2 251.330 1.976 20 5 CDBDLP COC[C@]1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC[NH2+]1 ZINC000414948054 370944604 /nfs/dbraw/zinc/94/46/04/370944604.db2.gz WPADGZWJTLUNLX-CQSZACIVSA-N 2 2 279.340 1.453 20 5 CDBDLP [NH3+]C[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420294023 244037743 /nfs/dbraw/zinc/03/77/43/244037743.db2.gz RZDACTILBZZTCE-LLVKDONJSA-N 2 2 292.339 1.347 20 5 CDBDLP [NH3+]C[C@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420294023 244037745 /nfs/dbraw/zinc/03/77/45/244037745.db2.gz RZDACTILBZZTCE-LLVKDONJSA-N 2 2 292.339 1.347 20 5 CDBDLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000113515844 374260918 /nfs/dbraw/zinc/26/09/18/374260918.db2.gz XJIRWMSTDVGKFI-LBPRGKRZSA-N 2 2 263.341 1.978 20 5 CDBDLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000113515844 374260921 /nfs/dbraw/zinc/26/09/21/374260921.db2.gz XJIRWMSTDVGKFI-LBPRGKRZSA-N 2 2 263.341 1.978 20 5 CDBDLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000423513042 374387713 /nfs/dbraw/zinc/38/77/13/374387713.db2.gz BYFFCISWCBLYRP-GXFFZTMASA-N 2 2 265.313 1.234 20 5 CDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H]([NH3+])C1 ZINC000430618644 393102521 /nfs/dbraw/zinc/10/25/21/393102521.db2.gz VYCLTZDXVCAOCC-NSHDSACASA-N 2 2 292.339 1.265 20 5 CDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H]([NH3+])C1 ZINC000430618644 393102524 /nfs/dbraw/zinc/10/25/24/393102524.db2.gz VYCLTZDXVCAOCC-NSHDSACASA-N 2 2 292.339 1.265 20 5 CDBDLP C[NH2+][C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000430627130 393102782 /nfs/dbraw/zinc/10/27/82/393102782.db2.gz SUMJHRWOVMNUCA-LBPRGKRZSA-N 2 2 292.339 1.217 20 5 CDBDLP C[NH2+][C@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000430627130 393102788 /nfs/dbraw/zinc/10/27/88/393102788.db2.gz SUMJHRWOVMNUCA-LBPRGKRZSA-N 2 2 292.339 1.217 20 5 CDBDLP O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cs1 ZINC000494392963 393231908 /nfs/dbraw/zinc/23/19/08/393231908.db2.gz QLPAQDXFJWWVCG-SNVBAGLBSA-N 2 2 278.337 1.957 20 5 CDBDLP O=[N+]([O-])c1ccccc1/C=C/C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359472440 158257184 /nfs/dbraw/zinc/25/71/84/158257184.db2.gz LSURVESSMXGPPC-RDJPRVRMSA-N 2 2 273.336 1.759 20 5 CDBDLP Cc1c(C[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)cccc1[N+](=O)[O-] ZINC000068804013 525723839 /nfs/dbraw/zinc/72/38/39/525723839.db2.gz BEBAGZMBHNTAEF-CQSZACIVSA-N 2 2 292.383 1.239 20 5 CDBDLP Cc1c(C[NH2+]C[C@@H]2C[N@H+](C)CCN2C)cccc1[N+](=O)[O-] ZINC000068804013 525723848 /nfs/dbraw/zinc/72/38/48/525723848.db2.gz BEBAGZMBHNTAEF-CQSZACIVSA-N 2 2 292.383 1.239 20 5 CDBDLP O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000923330997 745130652 /nfs/dbraw/zinc/13/06/52/745130652.db2.gz GJRYQRNBAMCWOL-HUUCEWRRSA-N 2 2 291.351 1.314 20 5 CDBDLP O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000923330997 745130662 /nfs/dbraw/zinc/13/06/62/745130662.db2.gz GJRYQRNBAMCWOL-HUUCEWRRSA-N 2 2 291.351 1.314 20 5 CDBDLP CC[N@H+](CC[N+](=O)[O-])CC1CCN(c2cccc[nH+]2)CC1 ZINC000791053553 748940526 /nfs/dbraw/zinc/94/05/26/748940526.db2.gz UADZNVMJDFUJLU-UHFFFAOYSA-N 2 2 292.383 1.897 20 5 CDBDLP CC[N@@H+](CC[N+](=O)[O-])CC1CCN(c2cccc[nH+]2)CC1 ZINC000791053553 748940537 /nfs/dbraw/zinc/94/05/37/748940537.db2.gz UADZNVMJDFUJLU-UHFFFAOYSA-N 2 2 292.383 1.897 20 5 CDBDLP Cc1cccc([N+](=O)[O-])c1NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001168736388 921875201 /nfs/dbraw/zinc/87/52/01/921875201.db2.gz GHJVXGWESWNYOP-UHFFFAOYSA-N 2 2 277.328 1.497 20 5 CDBDLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@H]21 ZINC001169050046 927669223 /nfs/dbraw/zinc/66/92/23/927669223.db2.gz YJYAOKYRLOILGR-REWJHTLYSA-N 2 2 267.373 1.458 20 5 CDBDLP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@H]21 ZINC001169050046 927669228 /nfs/dbraw/zinc/66/92/28/927669228.db2.gz YJYAOKYRLOILGR-REWJHTLYSA-N 2 2 267.373 1.458 20 5 CDBDLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@H]21 ZINC001169050046 927669235 /nfs/dbraw/zinc/66/92/35/927669235.db2.gz YJYAOKYRLOILGR-REWJHTLYSA-N 2 2 267.373 1.458 20 5 CDBDLP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@H]21 ZINC001169050046 927669244 /nfs/dbraw/zinc/66/92/44/927669244.db2.gz YJYAOKYRLOILGR-REWJHTLYSA-N 2 2 267.373 1.458 20 5 CDBDLP O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCC[NH2+]CC1)C2 ZINC001246521886 931572085 /nfs/dbraw/zinc/57/20/85/931572085.db2.gz BGMGGCIYWJCVRB-AWEZNQCLSA-N 2 2 261.325 1.357 20 5 CDBDLP O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CCC[NH2+]CC1)C2 ZINC001246521886 931572094 /nfs/dbraw/zinc/57/20/94/931572094.db2.gz BGMGGCIYWJCVRB-AWEZNQCLSA-N 2 2 261.325 1.357 20 5 CDBDLP [NH3+][C@]12CCC[C@@H]1C[N@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC000598681954 343864416 /nfs/dbraw/zinc/86/44/16/343864416.db2.gz KIKGDMXQOOBFKI-OCCSQVGLSA-N 2 2 261.325 1.908 20 5 CDBDLP [NH3+][C@]12CCC[C@@H]1C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC000598681954 343864418 /nfs/dbraw/zinc/86/44/18/343864418.db2.gz KIKGDMXQOOBFKI-OCCSQVGLSA-N 2 2 261.325 1.908 20 5 CDBDLP C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C1(C[NH3+])CCC1 ZINC000420321025 244081961 /nfs/dbraw/zinc/08/19/61/244081961.db2.gz CDIZHCDUROBELM-UHFFFAOYSA-N 2 2 279.340 1.787 20 5 CDBDLP C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C1(C[NH3+])CCC1 ZINC000420321025 244081965 /nfs/dbraw/zinc/08/19/65/244081965.db2.gz CDIZHCDUROBELM-UHFFFAOYSA-N 2 2 279.340 1.787 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422714787 245173056 /nfs/dbraw/zinc/17/30/56/245173056.db2.gz LLKGLGXREDSPEY-SECBINFHSA-N 2 2 265.313 1.301 20 5 CDBDLP C[NH2+]CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420391187 374296016 /nfs/dbraw/zinc/29/60/16/374296016.db2.gz RSXLAXCVPZTCIS-NSHDSACASA-N 2 2 294.355 1.463 20 5 CDBDLP C[NH2+]CCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420391187 374296025 /nfs/dbraw/zinc/29/60/25/374296025.db2.gz RSXLAXCVPZTCIS-NSHDSACASA-N 2 2 294.355 1.463 20 5 CDBDLP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1cccc([N+](=O)[O-])c1 ZINC000423523854 374387887 /nfs/dbraw/zinc/38/78/87/374387887.db2.gz NUJZHNCRLJXNHQ-UONOGXRCSA-N 2 2 279.340 1.624 20 5 CDBDLP C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000305119446 375553535 /nfs/dbraw/zinc/55/35/35/375553535.db2.gz JBWQGRZLTJGYPC-MFKMUULPSA-N 2 2 267.329 1.168 20 5 CDBDLP O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261653661 140369488 /nfs/dbraw/zinc/36/94/88/140369488.db2.gz YLDPBGRQZTYRNN-WCQYABFASA-N 2 2 261.325 1.636 20 5 CDBDLP O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261653661 140369490 /nfs/dbraw/zinc/36/94/90/140369490.db2.gz YLDPBGRQZTYRNN-WCQYABFASA-N 2 2 261.325 1.636 20 5 CDBDLP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)CCC2 ZINC000423543170 275038293 /nfs/dbraw/zinc/03/82/93/275038293.db2.gz BOIFUCFWTUPEJA-DZGCQCFKSA-N 2 2 291.351 1.550 20 5 CDBDLP C[C@@H]([NH2+]C[C@]1(O)CCC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC001574098993 1170879000 /nfs/dbraw/zinc/87/90/00/1170879000.db2.gz PAXUVEMTHNXLRP-RISCZKNCSA-N 2 2 279.340 1.360 20 5 CDBDLP O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC001168996577 927602800 /nfs/dbraw/zinc/60/28/00/927602800.db2.gz WHYYEUHEHSRWQM-IHRRRGAJSA-N 2 2 267.373 1.506 20 5 CDBDLP O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC001168996577 927602807 /nfs/dbraw/zinc/60/28/07/927602807.db2.gz WHYYEUHEHSRWQM-IHRRRGAJSA-N 2 2 267.373 1.506 20 5 CDBDLP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1C[NH2+]CC12CC2 ZINC001246135175 947979036 /nfs/dbraw/zinc/97/90/36/947979036.db2.gz SVKOQVCOXMIPFT-FZMZJTMJSA-N 2 2 275.352 1.867 20 5 CDBDLP COc1ccc(C[C@H](C)[N@H+](C)C[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC001246981287 948559416 /nfs/dbraw/zinc/55/94/16/948559416.db2.gz PIOOCEDDOLDMPP-QWRGUYRKSA-N 2 2 281.356 1.813 20 5 CDBDLP COc1ccc(C[C@H](C)[N@@H+](C)C[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC001246981287 948559425 /nfs/dbraw/zinc/55/94/25/948559425.db2.gz PIOOCEDDOLDMPP-QWRGUYRKSA-N 2 2 281.356 1.813 20 5 CDBDLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000596652804 343371730 /nfs/dbraw/zinc/37/17/30/343371730.db2.gz IBVMNMGAKCHAMO-QWRGUYRKSA-N 2 2 294.355 1.509 20 5 CDBDLP [NH3+][C@]12CCC[C@H]1C[N@H+](CCOc1ccccc1[N+](=O)[O-])C2 ZINC000598684381 343864919 /nfs/dbraw/zinc/86/49/19/343864919.db2.gz WIEJLRAGOZFLMN-WFASDCNBSA-N 2 2 291.351 1.787 20 5 CDBDLP [NH3+][C@]12CCC[C@H]1C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C2 ZINC000598684381 343864922 /nfs/dbraw/zinc/86/49/22/343864922.db2.gz WIEJLRAGOZFLMN-WFASDCNBSA-N 2 2 291.351 1.787 20 5 CDBDLP O=[N+]([O-])c1ccn(CC[N@@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)n1 ZINC000584460321 357642519 /nfs/dbraw/zinc/64/25/19/357642519.db2.gz WYSZISGQFAKXPY-CHWSQXEVSA-N 2 2 293.371 1.398 20 5 CDBDLP O=[N+]([O-])c1ccn(CC[N@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)n1 ZINC000584460321 357642520 /nfs/dbraw/zinc/64/25/20/357642520.db2.gz WYSZISGQFAKXPY-CHWSQXEVSA-N 2 2 293.371 1.398 20 5 CDBDLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000423506512 374385864 /nfs/dbraw/zinc/38/58/64/374385864.db2.gz HATZEQORPVVGGR-SMDDNHRTSA-N 2 2 279.340 1.624 20 5 CDBDLP CC[C@H]([NH2+]C[C@H]1C[NH2+]CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000423480667 374386146 /nfs/dbraw/zinc/38/61/46/374386146.db2.gz PMKACEYROOLHFQ-CABCVRRESA-N 2 2 292.383 1.539 20 5 CDBDLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000423487761 374386774 /nfs/dbraw/zinc/38/67/74/374386774.db2.gz XTXNJEOAVMXHCS-BXUZGUMPSA-N 2 2 278.356 1.149 20 5 CDBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000423556166 392964568 /nfs/dbraw/zinc/96/45/68/392964568.db2.gz HWBGLODFTJIWCO-YPMHNXCESA-N 2 2 279.340 1.104 20 5 CDBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC[NH+](C)C ZINC000449268461 393132346 /nfs/dbraw/zinc/13/23/46/393132346.db2.gz HBSGVUOLKNCHKK-LLVKDONJSA-N 2 2 251.330 1.677 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000044529419 175194081 /nfs/dbraw/zinc/19/40/81/175194081.db2.gz ZGZPOPWZJISNRI-LLVKDONJSA-N 2 2 279.340 1.774 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044529419 175194082 /nfs/dbraw/zinc/19/40/82/175194082.db2.gz ZGZPOPWZJISNRI-LLVKDONJSA-N 2 2 279.340 1.774 20 5 CDBDLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168957859 927580244 /nfs/dbraw/zinc/58/02/44/927580244.db2.gz JTFYIJXURAZPEF-XQQFMLRXSA-N 2 2 255.362 1.506 20 5 CDBDLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168957859 927580249 /nfs/dbraw/zinc/58/02/49/927580249.db2.gz JTFYIJXURAZPEF-XQQFMLRXSA-N 2 2 255.362 1.506 20 5 CDBDLP C[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CC[NH+](C)CC1 ZINC001169007772 927611436 /nfs/dbraw/zinc/61/14/36/927611436.db2.gz QBZSUBUZSNKNAP-DGCLKSJQSA-N 2 2 255.362 1.458 20 5 CDBDLP C[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CC[NH+](C)CC1 ZINC001169007772 927611437 /nfs/dbraw/zinc/61/14/37/927611437.db2.gz QBZSUBUZSNKNAP-DGCLKSJQSA-N 2 2 255.362 1.458 20 5 CDBDLP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCC[NH2+]C1 ZINC001246129021 931084788 /nfs/dbraw/zinc/08/47/88/931084788.db2.gz ORHGKXCTLVEUMX-YPMHNXCESA-N 2 2 263.341 1.867 20 5 CDBDLP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@](C)([NH3+])C1 ZINC001246532612 931624159 /nfs/dbraw/zinc/62/41/59/931624159.db2.gz XCGTVIZSQZBENR-SMDDNHRTSA-N 2 2 263.341 1.949 20 5 CDBDLP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@](C)([NH3+])C1 ZINC001246532612 931624160 /nfs/dbraw/zinc/62/41/60/931624160.db2.gz XCGTVIZSQZBENR-SMDDNHRTSA-N 2 2 263.341 1.949 20 5 CDBDLP CC(C)([NH3+])C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000591275489 342623916 /nfs/dbraw/zinc/62/39/16/342623916.db2.gz RJAWMYNKDQLNTG-UHFFFAOYSA-N 2 2 281.312 1.193 20 5 CDBDLP O=[N+]([O-])c1cccc(N2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000592984151 342751350 /nfs/dbraw/zinc/75/13/50/342751350.db2.gz LPLZMTMVJQSPNK-CYBMUJFWSA-N 2 2 290.367 1.326 20 5 CDBDLP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000163242428 390179835 /nfs/dbraw/zinc/17/98/35/390179835.db2.gz MADAVFSBTRAPQG-SCZZXKLOSA-N 2 2 255.343 1.825 20 5 CDBDLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000163242428 390179836 /nfs/dbraw/zinc/17/98/36/390179836.db2.gz MADAVFSBTRAPQG-SCZZXKLOSA-N 2 2 255.343 1.825 20 5 CDBDLP COCC[NH2+]CC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000423321181 392960072 /nfs/dbraw/zinc/96/00/72/392960072.db2.gz MXLSWZCJICYLMA-GFCCVEGCSA-N 2 2 281.356 1.790 20 5 CDBDLP [NH3+]C[C@@H]1CCCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000430612216 393102676 /nfs/dbraw/zinc/10/26/76/393102676.db2.gz QSKHCCYWCGFWEW-ZDUSSCGKSA-N 2 2 279.340 1.787 20 5 CDBDLP [NH3+]C[C@@H]1CCCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000430612216 393102680 /nfs/dbraw/zinc/10/26/80/393102680.db2.gz QSKHCCYWCGFWEW-ZDUSSCGKSA-N 2 2 279.340 1.787 20 5 CDBDLP Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352503657 155232499 /nfs/dbraw/zinc/23/24/99/155232499.db2.gz IPRWEXBMBXJXOG-SNVBAGLBSA-N 2 2 267.333 1.032 20 5 CDBDLP Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352503657 155232501 /nfs/dbraw/zinc/23/25/01/155232501.db2.gz IPRWEXBMBXJXOG-SNVBAGLBSA-N 2 2 267.333 1.032 20 5 CDBDLP [NH3+]CCc1[nH+]ccn1-c1ccc2ncccc2c1[N+](=O)[O-] ZINC000052304610 527199181 /nfs/dbraw/zinc/19/91/81/527199181.db2.gz ZUIPGLAHVSKALK-UHFFFAOYSA-N 2 2 283.291 1.830 20 5 CDBDLP CC[NH+](CC)C[C@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176271245 535597909 /nfs/dbraw/zinc/59/79/09/535597909.db2.gz YFAXXXNVAORBNX-CYBMUJFWSA-N 2 2 295.387 1.455 20 5 CDBDLP CC[NH+](CC)C[C@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176271245 535597915 /nfs/dbraw/zinc/59/79/15/535597915.db2.gz YFAXXXNVAORBNX-CYBMUJFWSA-N 2 2 295.387 1.455 20 5 CDBDLP COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001579178702 1172110977 /nfs/dbraw/zinc/11/09/77/1172110977.db2.gz ANJIMFGVDFYFBA-YPMHNXCESA-N 2 2 291.351 1.645 20 5 CDBDLP COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001579178702 1172110980 /nfs/dbraw/zinc/11/09/80/1172110980.db2.gz ANJIMFGVDFYFBA-YPMHNXCESA-N 2 2 291.351 1.645 20 5 CDBDLP O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@H]2CC[N@@H+](C3CCC3)C2)C1 ZINC001168995246 927603450 /nfs/dbraw/zinc/60/34/50/927603450.db2.gz SASKYKISOBRFFH-XQQFMLRXSA-N 2 2 267.373 1.648 20 5 CDBDLP O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@H]2CC[N@H+](C3CCC3)C2)C1 ZINC001168995246 927603456 /nfs/dbraw/zinc/60/34/56/927603456.db2.gz SASKYKISOBRFFH-XQQFMLRXSA-N 2 2 267.373 1.648 20 5 CDBDLP O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCOc2cc[nH+]cc2)C1 ZINC001169004585 927609139 /nfs/dbraw/zinc/60/91/39/927609139.db2.gz RFSJIMLZOHPONH-NEPJUHHUSA-N 2 2 265.313 1.495 20 5 CDBDLP COCC[N@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C1CC[NH+](C)CC1 ZINC001169021921 927663298 /nfs/dbraw/zinc/66/32/98/927663298.db2.gz BCIGBRXJGHZQQY-ZFWWWQNUSA-N 2 2 299.415 1.474 20 5 CDBDLP COCC[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C1CC[NH+](C)CC1 ZINC001169021921 927663305 /nfs/dbraw/zinc/66/33/05/927663305.db2.gz BCIGBRXJGHZQQY-ZFWWWQNUSA-N 2 2 299.415 1.474 20 5 CDBDLP Cn1cc[nH+]c1CC[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254599745 947550737 /nfs/dbraw/zinc/55/07/37/947550737.db2.gz PSOMTXRWRSLDNP-CYBMUJFWSA-N 2 2 286.335 1.628 20 5 CDBDLP O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000414853893 367670363 /nfs/dbraw/zinc/67/03/63/367670363.db2.gz YMNLLDNWYXYBMU-YIALFULDSA-N 2 2 261.325 1.950 20 5 CDBDLP C[C@@H](C[NH3+])[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420286177 244027095 /nfs/dbraw/zinc/02/70/95/244027095.db2.gz FTQMLVQKPOQFKB-JTQLQIEISA-N 2 2 280.328 1.202 20 5 CDBDLP C[C@@H](C[NH3+])[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420286177 244027096 /nfs/dbraw/zinc/02/70/96/244027096.db2.gz FTQMLVQKPOQFKB-JTQLQIEISA-N 2 2 280.328 1.202 20 5 CDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CC[NH3+] ZINC000420380860 244176401 /nfs/dbraw/zinc/17/64/01/244176401.db2.gz ONKGXFZAUHVHLC-UHFFFAOYSA-N 2 2 280.328 1.122 20 5 CDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CC[NH3+] ZINC000420380860 244176407 /nfs/dbraw/zinc/17/64/07/244176407.db2.gz ONKGXFZAUHVHLC-UHFFFAOYSA-N 2 2 280.328 1.122 20 5 CDBDLP COc1ccc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])cc1[N+](=O)[O-] ZINC000422943506 374364772 /nfs/dbraw/zinc/36/47/72/374364772.db2.gz KODNQCXAZNKALE-QWRGUYRKSA-N 2 2 265.313 1.573 20 5 CDBDLP Cc1ccc([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000423530188 374387854 /nfs/dbraw/zinc/38/78/54/374387854.db2.gz WONOWGGOUKSVDD-DGCLKSJQSA-N 2 2 279.340 1.542 20 5 CDBDLP Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1[N+](=O)[O-] ZINC000423511227 374387928 /nfs/dbraw/zinc/38/79/28/374387928.db2.gz KDHPCUKDRRLSHG-JSGCOSHPSA-N 2 2 293.367 1.932 20 5 CDBDLP Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000376645478 374566524 /nfs/dbraw/zinc/56/65/24/374566524.db2.gz UNQVEXJUMDGHLK-RYUDHWBXSA-N 2 2 293.371 1.244 20 5 CDBDLP Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000376645478 374566532 /nfs/dbraw/zinc/56/65/32/374566532.db2.gz UNQVEXJUMDGHLK-RYUDHWBXSA-N 2 2 293.371 1.244 20 5 CDBDLP Cn1cnc([N+](=O)[O-])c1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000376645478 374566538 /nfs/dbraw/zinc/56/65/38/374566538.db2.gz UNQVEXJUMDGHLK-RYUDHWBXSA-N 2 2 293.371 1.244 20 5 CDBDLP Cn1cnc([N+](=O)[O-])c1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000376645478 374566544 /nfs/dbraw/zinc/56/65/44/374566544.db2.gz UNQVEXJUMDGHLK-RYUDHWBXSA-N 2 2 293.371 1.244 20 5 CDBDLP C[C@H](C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)[NH+](C)C ZINC000447538333 374704113 /nfs/dbraw/zinc/70/41/13/374704113.db2.gz BDYVOEKMMHEUQY-AGIUHOORSA-N 2 2 295.387 1.815 20 5 CDBDLP COCC[NH2+]CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000423322617 390826515 /nfs/dbraw/zinc/82/65/15/390826515.db2.gz NYICFOSHYKATRI-NSHDSACASA-N 2 2 267.329 1.481 20 5 CDBDLP COc1ccc(OCC[NH+]2CCC([NH3+])CC2)c([N+](=O)[O-])c1 ZINC000430608119 393102880 /nfs/dbraw/zinc/10/28/80/393102880.db2.gz CFOYKZDTBZHIFG-UHFFFAOYSA-N 2 2 295.339 1.405 20 5 CDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430924459 393105531 /nfs/dbraw/zinc/10/55/31/393105531.db2.gz IGEYVPIYBXSXFY-NSHDSACASA-N 2 2 292.339 1.122 20 5 CDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430924459 393105534 /nfs/dbraw/zinc/10/55/34/393105534.db2.gz IGEYVPIYBXSXFY-NSHDSACASA-N 2 2 292.339 1.122 20 5 CDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430947088 393106927 /nfs/dbraw/zinc/10/69/27/393106927.db2.gz CYIRHDUXGUJJPV-LLVKDONJSA-N 2 2 292.339 1.122 20 5 CDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430947088 393106932 /nfs/dbraw/zinc/10/69/32/393106932.db2.gz CYIRHDUXGUJJPV-LLVKDONJSA-N 2 2 292.339 1.122 20 5 CDBDLP C[NH2+]CCC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000124886190 277267477 /nfs/dbraw/zinc/26/74/77/277267477.db2.gz UDQZKFGWFNBABU-UHFFFAOYSA-N 2 2 267.329 1.645 20 5 CDBDLP C[NH2+]CCC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000124886190 277267479 /nfs/dbraw/zinc/26/74/79/277267479.db2.gz UDQZKFGWFNBABU-UHFFFAOYSA-N 2 2 267.329 1.645 20 5 CDBDLP Cc1[nH+]cc(C[NH2+]CCc2ccccc2[N+](=O)[O-])n1C ZINC000570293499 294212085 /nfs/dbraw/zinc/21/20/85/294212085.db2.gz QCXWEWFUJQVPGT-UHFFFAOYSA-N 2 2 274.324 1.969 20 5 CDBDLP C[N@H+](CCOCC[NH3+])Cc1cc([N+](=O)[O-])ccc1Cl ZINC000843357423 779032889 /nfs/dbraw/zinc/03/28/89/779032889.db2.gz IQDYECIDJPIZJK-UHFFFAOYSA-N 2 2 287.747 1.655 20 5 CDBDLP C[N@@H+](CCOCC[NH3+])Cc1cc([N+](=O)[O-])ccc1Cl ZINC000843357423 779032898 /nfs/dbraw/zinc/03/28/98/779032898.db2.gz IQDYECIDJPIZJK-UHFFFAOYSA-N 2 2 287.747 1.655 20 5 CDBDLP C[C@@]1([NH3+])CC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001246533964 931622420 /nfs/dbraw/zinc/62/24/20/931622420.db2.gz FCNVKNGBJSKEHV-ZIAGYGMSSA-N 2 2 261.325 1.485 20 5 CDBDLP C[C@@]1([NH3+])CC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001246533964 931622424 /nfs/dbraw/zinc/62/24/24/931622424.db2.gz FCNVKNGBJSKEHV-ZIAGYGMSSA-N 2 2 261.325 1.485 20 5 CDBDLP Cc1ccnc(-n2c[nH+]cc2C2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001155054266 937627869 /nfs/dbraw/zinc/62/78/69/937627869.db2.gz WDFVPKYERKEZEV-UHFFFAOYSA-N 2 2 287.323 1.951 20 5 CDBDLP CC(C)[C@@H]([NH3+])C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000591275116 342623936 /nfs/dbraw/zinc/62/39/36/342623936.db2.gz DNBGXWCJNWXBOD-NSHDSACASA-N 2 2 295.339 1.439 20 5 CDBDLP O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@H]3CC[NH2+][C@H]3C2)cc1 ZINC000591448636 342632990 /nfs/dbraw/zinc/63/29/90/342632990.db2.gz KUVFBTHDAIWWDJ-HIFRSBDPSA-N 2 2 275.352 1.821 20 5 CDBDLP O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@H]3CC[NH2+][C@H]3C2)cc1 ZINC000591448636 342632991 /nfs/dbraw/zinc/63/29/91/342632991.db2.gz KUVFBTHDAIWWDJ-HIFRSBDPSA-N 2 2 275.352 1.821 20 5 CDBDLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000129025091 345253872 /nfs/dbraw/zinc/25/38/72/345253872.db2.gz YHSBKPLVYNHXSQ-SKDRFNHKSA-N 2 2 292.339 1.005 20 5 CDBDLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000129025091 345253876 /nfs/dbraw/zinc/25/38/76/345253876.db2.gz YHSBKPLVYNHXSQ-SKDRFNHKSA-N 2 2 292.339 1.005 20 5 CDBDLP C[NH2+]CC[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420342416 244115117 /nfs/dbraw/zinc/11/51/17/244115117.db2.gz WYUFLZLSJVVLHL-UHFFFAOYSA-N 2 2 280.328 1.075 20 5 CDBDLP C[NH2+]CC[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420342416 244115120 /nfs/dbraw/zinc/11/51/20/244115120.db2.gz WYUFLZLSJVVLHL-UHFFFAOYSA-N 2 2 280.328 1.075 20 5 CDBDLP C[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H]1[NH3+] ZINC000420387368 244186914 /nfs/dbraw/zinc/18/69/14/244186914.db2.gz WAXRSXCSKGCPQB-ZWNOBZJWSA-N 2 2 265.313 1.253 20 5 CDBDLP C[C@@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H]1[NH3+] ZINC000420387368 244186921 /nfs/dbraw/zinc/18/69/21/244186921.db2.gz WAXRSXCSKGCPQB-ZWNOBZJWSA-N 2 2 265.313 1.253 20 5 CDBDLP Cc1ccc([C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000330870407 203334058 /nfs/dbraw/zinc/33/40/58/203334058.db2.gz FTDDNISZJAMOJE-IUODEOHRSA-N 2 2 293.367 1.620 20 5 CDBDLP Cc1ccc([C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000330870407 203334059 /nfs/dbraw/zinc/33/40/59/203334059.db2.gz FTDDNISZJAMOJE-IUODEOHRSA-N 2 2 293.367 1.620 20 5 CDBDLP CCn1cc[nH+]c1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000577918740 372165885 /nfs/dbraw/zinc/16/58/85/372165885.db2.gz CRLOYLIMJJZNRL-UHFFFAOYSA-N 2 2 289.339 1.777 20 5 CDBDLP C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC[NH+](CCO)CC1 ZINC000353367553 375600707 /nfs/dbraw/zinc/60/07/07/375600707.db2.gz ZYOLDIUVQKVHCS-UHFFFAOYSA-N 2 2 293.367 1.483 20 5 CDBDLP Cc1ccc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1[N+](=O)[O-] ZINC000415032611 391248077 /nfs/dbraw/zinc/24/80/77/391248077.db2.gz GBEYJCLTJQFQDA-ZDUSSCGKSA-N 2 2 279.340 1.371 20 5 CDBDLP C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CC[NH2+]C1 ZINC000567893051 391546543 /nfs/dbraw/zinc/54/65/43/391546543.db2.gz LGLAHWUNOQYAMI-ZDUSSCGKSA-N 2 2 292.339 1.217 20 5 CDBDLP C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CC[NH2+]C1 ZINC000567893051 391546548 /nfs/dbraw/zinc/54/65/48/391546548.db2.gz LGLAHWUNOQYAMI-ZDUSSCGKSA-N 2 2 292.339 1.217 20 5 CDBDLP CCOc1ccc([C@H](C)[NH2+][C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000423379348 392962897 /nfs/dbraw/zinc/96/28/97/392962897.db2.gz XFVWFOCBJAGAKC-UWVGGRQHSA-N 2 2 267.329 1.991 20 5 CDBDLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000133890009 139873921 /nfs/dbraw/zinc/87/39/21/139873921.db2.gz JTDKSDUMBGFAJS-OCCSQVGLSA-N 2 2 293.367 1.494 20 5 CDBDLP O=[N+]([O-])c1cccc(C[N@@H+]2CCOC3(CC[NH2+]CC3)C2)c1 ZINC001580875261 1172558580 /nfs/dbraw/zinc/55/85/80/1172558580.db2.gz GOLBZYLSUZRFNF-UHFFFAOYSA-N 2 2 291.351 1.549 20 5 CDBDLP O=[N+]([O-])c1cccc(C[N@H+]2CCOC3(CC[NH2+]CC3)C2)c1 ZINC001580875261 1172558587 /nfs/dbraw/zinc/55/85/87/1172558587.db2.gz GOLBZYLSUZRFNF-UHFFFAOYSA-N 2 2 291.351 1.549 20 5 CDBDLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000158632128 780197359 /nfs/dbraw/zinc/19/73/59/780197359.db2.gz ZDNIIAACQAHOEI-RISCZKNCSA-N 2 2 290.323 1.503 20 5 CDBDLP Nc1cc(CNc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)cc[nH+]1 ZINC001167616475 897054422 /nfs/dbraw/zinc/05/44/22/897054422.db2.gz JBJOJJPMTQRABT-UHFFFAOYSA-N 2 2 285.307 1.787 20 5 CDBDLP C[NH2+]C[C@@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923283288 923704264 /nfs/dbraw/zinc/70/42/64/923704264.db2.gz UKXVHFGQGRQTRA-SWLSCSKDSA-N 2 2 293.367 1.560 20 5 CDBDLP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923283288 923704276 /nfs/dbraw/zinc/70/42/76/923704276.db2.gz UKXVHFGQGRQTRA-SWLSCSKDSA-N 2 2 293.367 1.560 20 5 CDBDLP Cc1[nH+]ccn1-c1ccccc1C[NH2+]CC[N+](=O)[O-] ZINC001120472073 937801652 /nfs/dbraw/zinc/80/16/52/937801652.db2.gz BQJXMNYSTZTMCC-UHFFFAOYSA-N 2 2 260.297 1.547 20 5 CDBDLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCn1ccc([N+](=O)[O-])n1)C2 ZINC000595507747 343080145 /nfs/dbraw/zinc/08/01/45/343080145.db2.gz QCNHGQJFORKOHK-AWEZNQCLSA-N 2 2 293.371 1.209 20 5 CDBDLP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCn1ccc([N+](=O)[O-])n1)C2 ZINC000595507747 343080146 /nfs/dbraw/zinc/08/01/46/343080146.db2.gz QCNHGQJFORKOHK-AWEZNQCLSA-N 2 2 293.371 1.209 20 5 CDBDLP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCn1ccc([N+](=O)[O-])n1)C2 ZINC000595507747 343080148 /nfs/dbraw/zinc/08/01/48/343080148.db2.gz QCNHGQJFORKOHK-AWEZNQCLSA-N 2 2 293.371 1.209 20 5 CDBDLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)C2 ZINC000595507747 343080150 /nfs/dbraw/zinc/08/01/50/343080150.db2.gz QCNHGQJFORKOHK-AWEZNQCLSA-N 2 2 293.371 1.209 20 5 CDBDLP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC000598681956 343864341 /nfs/dbraw/zinc/86/43/41/343864341.db2.gz KIKGDMXQOOBFKI-TZMCWYRMSA-N 2 2 261.325 1.908 20 5 CDBDLP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC000598681956 343864344 /nfs/dbraw/zinc/86/43/44/343864344.db2.gz KIKGDMXQOOBFKI-TZMCWYRMSA-N 2 2 261.325 1.908 20 5 CDBDLP CC(C)(C)[C@@H](C[NH3+])[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420373907 535041226 /nfs/dbraw/zinc/04/12/26/535041226.db2.gz ZPAXLGIVQMEXEA-GFCCVEGCSA-N 2 2 294.355 1.496 20 5 CDBDLP CC[N@H+](CC[NH3+])CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000600720431 358704947 /nfs/dbraw/zinc/70/49/47/358704947.db2.gz POLMPJGFVPKPRV-UHFFFAOYSA-N 2 2 283.328 1.263 20 5 CDBDLP CC[N@@H+](CC[NH3+])CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000600720431 358704951 /nfs/dbraw/zinc/70/49/51/358704951.db2.gz POLMPJGFVPKPRV-UHFFFAOYSA-N 2 2 283.328 1.263 20 5 CDBDLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000423500869 374385423 /nfs/dbraw/zinc/38/54/23/374385423.db2.gz DCIACILLTGYZSC-SMDDNHRTSA-N 2 2 279.340 1.624 20 5 CDBDLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000423487763 374386804 /nfs/dbraw/zinc/38/68/04/374386804.db2.gz XTXNJEOAVMXHCS-RISCZKNCSA-N 2 2 278.356 1.149 20 5 CDBDLP Cc1c([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCO2)cccc1[N+](=O)[O-] ZINC000423531725 374388199 /nfs/dbraw/zinc/38/81/99/374388199.db2.gz YOGNKLSCOWBVQP-VXGBXAGGSA-N 2 2 279.340 1.542 20 5 CDBDLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCN1C)c1ccc([N+](=O)[O-])cc1 ZINC000423486328 392963771 /nfs/dbraw/zinc/96/37/71/392963771.db2.gz WIECRKWQPQWHIE-BXUZGUMPSA-N 2 2 278.356 1.149 20 5 CDBDLP [NH3+]C[C@@H]1CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000430580465 393100471 /nfs/dbraw/zinc/10/04/71/393100471.db2.gz HNGKAVDZPZGKLL-NSHDSACASA-N 2 2 265.313 1.397 20 5 CDBDLP [NH3+]C[C@@H]1CCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000430580465 393100472 /nfs/dbraw/zinc/10/04/72/393100472.db2.gz HNGKAVDZPZGKLL-NSHDSACASA-N 2 2 265.313 1.397 20 5 CDBDLP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430935471 393104830 /nfs/dbraw/zinc/10/48/30/393104830.db2.gz UDGYHMFMJVPKTA-QWRGUYRKSA-N 2 2 292.339 1.202 20 5 CDBDLP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430935471 393104833 /nfs/dbraw/zinc/10/48/33/393104833.db2.gz UDGYHMFMJVPKTA-QWRGUYRKSA-N 2 2 292.339 1.202 20 5 CDBDLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000035275171 172095460 /nfs/dbraw/zinc/09/54/60/172095460.db2.gz DGLNXVWMPCETOB-NSHDSACASA-N 2 2 260.297 1.970 20 5 CDBDLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000035275173 172095754 /nfs/dbraw/zinc/09/57/54/172095754.db2.gz DGLNXVWMPCETOB-LLVKDONJSA-N 2 2 260.297 1.970 20 5 CDBDLP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000430550466 280107101 /nfs/dbraw/zinc/10/71/01/280107101.db2.gz GJESTUCPBISFRL-CQSZACIVSA-N 2 2 294.355 1.157 20 5 CDBDLP C[N@@H+]1CC[C@@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000729681664 574820569 /nfs/dbraw/zinc/82/05/69/574820569.db2.gz HJIHNOAXORSRIR-RYWCDNDXSA-N 2 2 261.325 1.902 20 5 CDBDLP C[N@H+]1CC[C@@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000729681664 574820571 /nfs/dbraw/zinc/82/05/71/574820571.db2.gz HJIHNOAXORSRIR-RYWCDNDXSA-N 2 2 261.325 1.902 20 5 CDBDLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923373706 923788544 /nfs/dbraw/zinc/78/85/44/923788544.db2.gz OZRFVHCVRKMPOG-YIKOMLBNSA-N 2 2 293.367 1.604 20 5 CDBDLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886830437 930971767 /nfs/dbraw/zinc/97/17/67/930971767.db2.gz QTAOXAANBDOPTA-WDEREUQCSA-N 2 2 264.329 1.549 20 5 CDBDLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886830437 930971774 /nfs/dbraw/zinc/97/17/74/930971774.db2.gz QTAOXAANBDOPTA-WDEREUQCSA-N 2 2 264.329 1.549 20 5 CDBDLP O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCC[NH2+]CC1)C2 ZINC001246521888 931571865 /nfs/dbraw/zinc/57/18/65/931571865.db2.gz BGMGGCIYWJCVRB-CQSZACIVSA-N 2 2 261.325 1.357 20 5 CDBDLP O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCC[NH2+]CC1)C2 ZINC001246521888 931571871 /nfs/dbraw/zinc/57/18/71/931571871.db2.gz BGMGGCIYWJCVRB-CQSZACIVSA-N 2 2 261.325 1.357 20 5 CDBDLP Cc1[nH+]c2c(n1-c1ncc(C)cc1[N+](=O)[O-])CC[NH2+]CC2 ZINC001165352428 939550242 /nfs/dbraw/zinc/55/02/42/939550242.db2.gz TZSYKTJYQSZTFZ-UHFFFAOYSA-N 2 2 287.323 1.481 20 5 CDBDLP COc1ccc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000422949288 374364053 /nfs/dbraw/zinc/36/40/53/374364053.db2.gz UUNQORMQDXQFGP-ZYHUDNBSSA-N 2 2 279.340 1.834 20 5 CDBDLP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000332658212 375040312 /nfs/dbraw/zinc/04/03/12/375040312.db2.gz ANYMILRONJOGMK-UKRRQHHQSA-N 2 2 293.367 1.484 20 5 CDBDLP [NH3+]C[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000430919318 390942385 /nfs/dbraw/zinc/94/23/85/390942385.db2.gz KLSOEMDLNAEKGF-SECBINFHSA-N 2 2 276.296 1.517 20 5 CDBDLP [NH3+]C[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000430919318 390942386 /nfs/dbraw/zinc/94/23/86/390942386.db2.gz KLSOEMDLNAEKGF-SECBINFHSA-N 2 2 276.296 1.517 20 5 CDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H]([NH3+])C1 ZINC000430618643 393102581 /nfs/dbraw/zinc/10/25/81/393102581.db2.gz VYCLTZDXVCAOCC-LLVKDONJSA-N 2 2 292.339 1.265 20 5 CDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H]([NH3+])C1 ZINC000430618643 393102587 /nfs/dbraw/zinc/10/25/87/393102587.db2.gz VYCLTZDXVCAOCC-LLVKDONJSA-N 2 2 292.339 1.265 20 5 CDBDLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000261589118 140357633 /nfs/dbraw/zinc/35/76/33/140357633.db2.gz KLGVTVNSVCPSST-UWVGGRQHSA-N 2 2 267.304 1.903 20 5 CDBDLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000261589118 140357634 /nfs/dbraw/zinc/35/76/34/140357634.db2.gz KLGVTVNSVCPSST-UWVGGRQHSA-N 2 2 267.304 1.903 20 5 CDBDLP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[NH2+]C1)CCC2 ZINC000423220400 275038113 /nfs/dbraw/zinc/03/81/13/275038113.db2.gz XSFHCROCVRIZQD-RISCZKNCSA-N 2 2 261.325 1.924 20 5 CDBDLP O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[NH2+]CC2)c1 ZINC000067799775 279203625 /nfs/dbraw/zinc/20/36/25/279203625.db2.gz WWIKBPDZFCIKSA-UHFFFAOYSA-N 2 2 265.313 1.269 20 5 CDBDLP O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[NH2+]CC2)c1 ZINC000067799775 279203629 /nfs/dbraw/zinc/20/36/29/279203629.db2.gz WWIKBPDZFCIKSA-UHFFFAOYSA-N 2 2 265.313 1.269 20 5 CDBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](O)C[NH+](C)C ZINC000154309820 289201542 /nfs/dbraw/zinc/20/15/42/289201542.db2.gz UQTXMLKLYUMEND-YPMHNXCESA-N 2 2 281.356 1.476 20 5 CDBDLP O=[N+]([O-])c1ccnn1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000738158656 576045005 /nfs/dbraw/zinc/04/50/05/576045005.db2.gz OOLSYFRMDUFKPT-NSHDSACASA-N 2 2 276.300 1.282 20 5 CDBDLP O=[N+]([O-])c1ccnn1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000738158656 576045006 /nfs/dbraw/zinc/04/50/06/576045006.db2.gz OOLSYFRMDUFKPT-NSHDSACASA-N 2 2 276.300 1.282 20 5 CDBDLP COc1cc(C[NH2+]CC[C@@H](C)[NH+](C)C)c([N+](=O)[O-])cc1O ZINC000895298962 619528136 /nfs/dbraw/zinc/52/81/36/619528136.db2.gz CTAZNYQXAWUSTE-SNVBAGLBSA-N 2 2 297.355 1.739 20 5 CDBDLP [NH3+]C1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000923277142 785424518 /nfs/dbraw/zinc/42/45/18/785424518.db2.gz KVHYTRUHMIEFKM-ZDUSSCGKSA-N 2 2 265.313 1.051 20 5 CDBDLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000133799665 789202689 /nfs/dbraw/zinc/20/26/89/789202689.db2.gz DPLXONOSDCPEJT-WCQYABFASA-N 2 2 279.340 1.451 20 5 CDBDLP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1C[NH+](C)C1 ZINC001173218778 912303264 /nfs/dbraw/zinc/30/32/64/912303264.db2.gz MDALREADQCWDHO-LLVKDONJSA-N 2 2 263.341 1.677 20 5 CDBDLP O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CC[NH+]2CCCCCC2)C1 ZINC001168968129 927590595 /nfs/dbraw/zinc/59/05/95/927590595.db2.gz WKIIKBRFVFDUAI-KBPBESRZSA-N 2 2 269.389 1.897 20 5 CDBDLP C[NH2+][C@@H](C)CC[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC001261370228 946079921 /nfs/dbraw/zinc/07/99/21/946079921.db2.gz CKLSNVUFJSMGIQ-JTQLQIEISA-N 2 2 297.355 1.700 20 5 CDBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[NH2+]CC12CC2 ZINC001246132137 947977696 /nfs/dbraw/zinc/97/76/96/947977696.db2.gz LCTKVBPICAKUIG-RISCZKNCSA-N 2 2 275.352 1.867 20 5 CDBDLP O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CC[C@H]3[NH2+]CC[C@H]31)C2 ZINC001246633324 948369205 /nfs/dbraw/zinc/36/92/05/948369205.db2.gz CEEZSYIWCAEWGR-RBSFLKMASA-N 2 2 273.336 1.498 20 5 CDBDLP O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CC[C@H]3[NH2+]CC[C@H]31)C2 ZINC001246633324 948369213 /nfs/dbraw/zinc/36/92/13/948369213.db2.gz CEEZSYIWCAEWGR-RBSFLKMASA-N 2 2 273.336 1.498 20 5 CDBDLP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCC[NH3+] ZINC000592473556 342698520 /nfs/dbraw/zinc/69/85/20/342698520.db2.gz AOKPXHTYPKHPPH-JTQLQIEISA-N 2 2 280.328 1.202 20 5 CDBDLP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CCC[NH3+] ZINC000592473556 342698521 /nfs/dbraw/zinc/69/85/21/342698521.db2.gz AOKPXHTYPKHPPH-JTQLQIEISA-N 2 2 280.328 1.202 20 5 CDBDLP C[N@H+](CCOCC[NH3+])Cc1c(F)cccc1[N+](=O)[O-] ZINC000600735259 342246144 /nfs/dbraw/zinc/24/61/44/342246144.db2.gz LNSQWMIWCIXYBY-UHFFFAOYSA-N 2 2 271.292 1.141 20 5 CDBDLP C[N@@H+](CCOCC[NH3+])Cc1c(F)cccc1[N+](=O)[O-] ZINC000600735259 342246145 /nfs/dbraw/zinc/24/61/45/342246145.db2.gz LNSQWMIWCIXYBY-UHFFFAOYSA-N 2 2 271.292 1.141 20 5 CDBDLP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000603432407 344803773 /nfs/dbraw/zinc/80/37/73/344803773.db2.gz IFMGGUJGVBRMMV-RYUDHWBXSA-N 2 2 267.304 1.949 20 5 CDBDLP O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CCC[NH2+]C2)cs1 ZINC000414826406 241404700 /nfs/dbraw/zinc/40/47/00/241404700.db2.gz ITRQBQSTAZHOGX-SECBINFHSA-N 2 2 255.343 1.746 20 5 CDBDLP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000330880540 203345581 /nfs/dbraw/zinc/34/55/81/203345581.db2.gz NCKRDGUDIFNKJJ-BXUZGUMPSA-N 2 2 279.340 1.312 20 5 CDBDLP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000330880540 203345585 /nfs/dbraw/zinc/34/55/85/203345585.db2.gz NCKRDGUDIFNKJJ-BXUZGUMPSA-N 2 2 279.340 1.312 20 5 CDBDLP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000330880541 203346907 /nfs/dbraw/zinc/34/69/07/203346907.db2.gz NCKRDGUDIFNKJJ-FZMZJTMJSA-N 2 2 279.340 1.312 20 5 CDBDLP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000330880541 203346909 /nfs/dbraw/zinc/34/69/09/203346909.db2.gz NCKRDGUDIFNKJJ-FZMZJTMJSA-N 2 2 279.340 1.312 20 5 CDBDLP CN1CC[NH2+]C[C@H]1C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000414971847 371196929 /nfs/dbraw/zinc/19/69/29/371196929.db2.gz WXDVRRHDOKNZFC-YVARQFDVSA-N 2 2 290.367 1.101 20 5 CDBDLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000133889595 372999389 /nfs/dbraw/zinc/99/93/89/372999389.db2.gz JTDKSDUMBGFAJS-TZMCWYRMSA-N 2 2 293.367 1.494 20 5 CDBDLP Cc1c([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCN2C)cccc1[N+](=O)[O-] ZINC000423502772 374385656 /nfs/dbraw/zinc/38/56/56/374385656.db2.gz FIWQFWVJZCOYKC-STQMWFEESA-N 2 2 292.383 1.457 20 5 CDBDLP C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000305150280 375559606 /nfs/dbraw/zinc/55/96/06/375559606.db2.gz TWQHZTYIROBAAP-ZWNOBZJWSA-N 2 2 267.329 1.168 20 5 CDBDLP C[NH2+]C1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000430962297 393108085 /nfs/dbraw/zinc/10/80/85/393108085.db2.gz CABKUWKXKRKYNW-UHFFFAOYSA-N 2 2 279.340 1.657 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261728052 140380952 /nfs/dbraw/zinc/38/09/52/140380952.db2.gz QWAMRNNICQAGST-RISCZKNCSA-N 2 2 291.351 1.787 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261728052 140380953 /nfs/dbraw/zinc/38/09/53/140380953.db2.gz QWAMRNNICQAGST-RISCZKNCSA-N 2 2 291.351 1.787 20 5 CDBDLP COc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1[N+](=O)[O-] ZINC000094342168 147082448 /nfs/dbraw/zinc/08/24/48/147082448.db2.gz GCILFOASLOFDHN-PWSUYJOCSA-N 2 2 279.340 1.773 20 5 CDBDLP COc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1[N+](=O)[O-] ZINC000094342168 147082451 /nfs/dbraw/zinc/08/24/51/147082451.db2.gz GCILFOASLOFDHN-PWSUYJOCSA-N 2 2 279.340 1.773 20 5 CDBDLP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[NH2+]C1)CCC2 ZINC000423220398 275038529 /nfs/dbraw/zinc/03/85/29/275038529.db2.gz XSFHCROCVRIZQD-BXUZGUMPSA-N 2 2 261.325 1.924 20 5 CDBDLP C[C@H]1C[C@H]([NH2+]CC[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000905152489 626638144 /nfs/dbraw/zinc/63/81/44/626638144.db2.gz DXTVJBZLIAKMGU-DZGCQCFKSA-N 2 2 277.368 1.906 20 5 CDBDLP C[C@H]1C[C@H]([NH2+]CC[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000905152489 626638148 /nfs/dbraw/zinc/63/81/48/626638148.db2.gz DXTVJBZLIAKMGU-DZGCQCFKSA-N 2 2 277.368 1.906 20 5 CDBDLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000158632230 795948552 /nfs/dbraw/zinc/94/85/52/795948552.db2.gz ZDNIIAACQAHOEI-SMDDNHRTSA-N 2 2 290.323 1.503 20 5 CDBDLP C[C@@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000593726448 342829362 /nfs/dbraw/zinc/82/93/62/342829362.db2.gz HZERAIGWLOXVOX-ZYHUDNBSSA-N 2 2 279.340 1.717 20 5 CDBDLP C[C@@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000593726448 342829363 /nfs/dbraw/zinc/82/93/63/342829363.db2.gz HZERAIGWLOXVOX-ZYHUDNBSSA-N 2 2 279.340 1.717 20 5 CDBDLP CCOc1cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000617196072 344997348 /nfs/dbraw/zinc/99/73/48/344997348.db2.gz NICVPALDTDLWNI-STQMWFEESA-N 2 2 291.351 1.645 20 5 CDBDLP CO[C@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000167358940 363172290 /nfs/dbraw/zinc/17/22/90/363172290.db2.gz UONCZRHLZRJWNR-GJZGRUSLSA-N 2 2 293.367 1.575 20 5 CDBDLP CO[C@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000167358940 363172298 /nfs/dbraw/zinc/17/22/98/363172298.db2.gz UONCZRHLZRJWNR-GJZGRUSLSA-N 2 2 293.367 1.575 20 5 CDBDLP O=[N+]([O-])c1cnn(CC[N@@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000584354025 366387882 /nfs/dbraw/zinc/38/78/82/366387882.db2.gz YXTFYBKHCYBKFT-KGLIPLIRSA-N 2 2 293.371 1.398 20 5 CDBDLP O=[N+]([O-])c1cnn(CC[N@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000584354025 366387890 /nfs/dbraw/zinc/38/78/90/366387890.db2.gz YXTFYBKHCYBKFT-KGLIPLIRSA-N 2 2 293.371 1.398 20 5 CDBDLP C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C1CC([NH3+])C1 ZINC000384713135 365395648 /nfs/dbraw/zinc/39/56/48/365395648.db2.gz FAVZQHRDAUMMQZ-UHFFFAOYSA-N 2 2 253.277 1.655 20 5 CDBDLP C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C1CC([NH3+])C1 ZINC000384713135 365395655 /nfs/dbraw/zinc/39/56/55/365395655.db2.gz FAVZQHRDAUMMQZ-UHFFFAOYSA-N 2 2 253.277 1.655 20 5 CDBDLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000420374430 244168484 /nfs/dbraw/zinc/16/84/84/244168484.db2.gz RZGUHYHJYNDOOJ-LALPHHSUSA-N 2 2 293.367 1.950 20 5 CDBDLP [NH3+]C[C@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000420394202 244194394 /nfs/dbraw/zinc/19/43/94/244194394.db2.gz RJQUZRNCPWCAON-AWEZNQCLSA-N 2 2 295.339 1.023 20 5 CDBDLP [NH3+]C[C@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000420394202 244194397 /nfs/dbraw/zinc/19/43/97/244194397.db2.gz RJQUZRNCPWCAON-AWEZNQCLSA-N 2 2 295.339 1.023 20 5 CDBDLP C[NH2+]CCC[N@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000420383095 244181410 /nfs/dbraw/zinc/18/14/10/244181410.db2.gz BIOATMKEIRKCFE-LLVKDONJSA-N 2 2 294.355 1.463 20 5 CDBDLP C[NH2+]CCC[N@@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000420383095 244181417 /nfs/dbraw/zinc/18/14/17/244181417.db2.gz BIOATMKEIRKCFE-LLVKDONJSA-N 2 2 294.355 1.463 20 5 CDBDLP CC[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000330889417 203359193 /nfs/dbraw/zinc/35/91/93/203359193.db2.gz VEQMYJRFEGSETG-HUUCEWRRSA-N 2 2 293.367 1.702 20 5 CDBDLP CC[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000330889417 203359195 /nfs/dbraw/zinc/35/91/95/203359195.db2.gz VEQMYJRFEGSETG-HUUCEWRRSA-N 2 2 293.367 1.702 20 5 CDBDLP Cc1c([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCN2C)cccc1[N+](=O)[O-] ZINC000423502769 374384803 /nfs/dbraw/zinc/38/48/03/374384803.db2.gz FIWQFWVJZCOYKC-CHWSQXEVSA-N 2 2 292.383 1.457 20 5 CDBDLP O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+][C@@H]2CCC[NH2+]C2)n1 ZINC000423357956 285169574 /nfs/dbraw/zinc/16/95/74/285169574.db2.gz MRLYJRRUBZJRKM-UPJWGTAASA-N 2 2 293.371 1.617 20 5 CDBDLP Cc1c(NC(=O)CC[N@@H+]2CC[C@@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000430653286 393105409 /nfs/dbraw/zinc/10/54/09/393105409.db2.gz YQCNQGUMTYUYAQ-LLVKDONJSA-N 2 2 292.339 1.265 20 5 CDBDLP Cc1c(NC(=O)CC[N@H+]2CC[C@@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000430653286 393105412 /nfs/dbraw/zinc/10/54/12/393105412.db2.gz YQCNQGUMTYUYAQ-LLVKDONJSA-N 2 2 292.339 1.265 20 5 CDBDLP COc1ccc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000228725890 397610036 /nfs/dbraw/zinc/61/00/36/397610036.db2.gz MZLQGTUACAESIJ-CQSZACIVSA-N 2 2 297.355 1.006 20 5 CDBDLP C[NH+]1CCC(CCO)([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000578905619 324056729 /nfs/dbraw/zinc/05/67/29/324056729.db2.gz FDWFZDWOEMWNAX-UHFFFAOYSA-N 2 2 293.367 1.531 20 5 CDBDLP C[NH+]1CCN(C(=[NH2+])Nc2cc(Cl)cc([N+](=O)[O-])n2)CC1 ZINC001157914604 1162543367 /nfs/dbraw/zinc/54/33/67/1162543367.db2.gz IRAKLODDHKXIMJ-UHFFFAOYSA-N 2 2 298.734 1.237 20 5 CDBDLP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H]2C[C@H]2[NH3+])c1F ZINC001173190839 912285350 /nfs/dbraw/zinc/28/53/50/912285350.db2.gz HXDZPAPNBCEYLI-SZEHBUNVSA-N 2 2 283.303 1.363 20 5 CDBDLP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@](C)([NH3+])C1 ZINC001246532603 931624582 /nfs/dbraw/zinc/62/45/82/931624582.db2.gz XCGTVIZSQZBENR-FZMZJTMJSA-N 2 2 263.341 1.949 20 5 CDBDLP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@](C)([NH3+])C1 ZINC001246532603 931624586 /nfs/dbraw/zinc/62/45/86/931624586.db2.gz XCGTVIZSQZBENR-FZMZJTMJSA-N 2 2 263.341 1.949 20 5 CDBDLP Cc1nc(-n2c[nH+]cc2C2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC001155052764 937627263 /nfs/dbraw/zinc/62/72/63/937627263.db2.gz FXSWDBAKUSQMLF-UHFFFAOYSA-N 2 2 287.323 1.951 20 5 CDBDLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254572576 947532774 /nfs/dbraw/zinc/53/27/74/947532774.db2.gz QNWDYANVXLWXKF-DZGCQCFKSA-N 2 2 275.352 1.746 20 5 CDBDLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254572576 947532776 /nfs/dbraw/zinc/53/27/76/947532776.db2.gz QNWDYANVXLWXKF-DZGCQCFKSA-N 2 2 275.352 1.746 20 5 CDBDLP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246655348 948390876 /nfs/dbraw/zinc/39/08/76/948390876.db2.gz KZXCBZKTCHHUOC-CORIIIEPSA-N 2 2 275.352 1.949 20 5 CDBDLP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246655348 948390885 /nfs/dbraw/zinc/39/08/85/948390885.db2.gz KZXCBZKTCHHUOC-CORIIIEPSA-N 2 2 275.352 1.949 20 5 CDBDLP O=[N+]([O-])c1ccc(C[NH+]2CCC([NH2+]CCO)CC2)cc1 ZINC000601328488 342554462 /nfs/dbraw/zinc/55/44/62/342554462.db2.gz RGQPQMYIGGWCJN-UHFFFAOYSA-N 2 2 279.340 1.141 20 5 CDBDLP [NH3+][C@]12CCC[C@H]1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000598680383 343875317 /nfs/dbraw/zinc/87/53/17/343875317.db2.gz AJBROWRKMGOFRG-JSGCOSHPSA-N 2 2 261.325 1.908 20 5 CDBDLP [NH3+][C@]12CCC[C@H]1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000598680383 343875318 /nfs/dbraw/zinc/87/53/18/343875318.db2.gz AJBROWRKMGOFRG-JSGCOSHPSA-N 2 2 261.325 1.908 20 5 CDBDLP C[C@@H]([NH3+])[C@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000128541341 344324204 /nfs/dbraw/zinc/32/42/04/344324204.db2.gz YNCPSOCWSBUYPC-BXUZGUMPSA-N 2 2 279.340 1.185 20 5 CDBDLP C[C@@H]([NH3+])[C@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000128541341 344324205 /nfs/dbraw/zinc/32/42/05/344324205.db2.gz YNCPSOCWSBUYPC-BXUZGUMPSA-N 2 2 279.340 1.185 20 5 CDBDLP C[NH2+]CCC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420391186 244193326 /nfs/dbraw/zinc/19/33/26/244193326.db2.gz RSXLAXCVPZTCIS-LLVKDONJSA-N 2 2 294.355 1.463 20 5 CDBDLP C[NH2+]CCC[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420391186 244193328 /nfs/dbraw/zinc/19/33/28/244193328.db2.gz RSXLAXCVPZTCIS-LLVKDONJSA-N 2 2 294.355 1.463 20 5 CDBDLP CC[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000154340913 374697831 /nfs/dbraw/zinc/69/78/31/374697831.db2.gz VUKCWGFDSVDNPU-UONOGXRCSA-N 2 2 281.356 1.558 20 5 CDBDLP [NH3+]C[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000430919319 390942437 /nfs/dbraw/zinc/94/24/37/390942437.db2.gz KLSOEMDLNAEKGF-VIFPVBQESA-N 2 2 276.296 1.517 20 5 CDBDLP [NH3+]C[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000430919319 390942438 /nfs/dbraw/zinc/94/24/38/390942438.db2.gz KLSOEMDLNAEKGF-VIFPVBQESA-N 2 2 276.296 1.517 20 5 CDBDLP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3csc([N+](=O)[O-])c3)C[C@@H]12 ZINC000261588947 140358133 /nfs/dbraw/zinc/35/81/33/140358133.db2.gz VYZDIKAJKWCQSH-HBNTYKKESA-N 2 2 267.354 1.825 20 5 CDBDLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3csc([N+](=O)[O-])c3)C[C@@H]12 ZINC000261588947 140358134 /nfs/dbraw/zinc/35/81/34/140358134.db2.gz VYZDIKAJKWCQSH-HBNTYKKESA-N 2 2 267.354 1.825 20 5 CDBDLP [NH3+]C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000313358833 260287503 /nfs/dbraw/zinc/28/75/03/260287503.db2.gz UXIMHCSLAOKUTN-CYBMUJFWSA-N 2 2 265.313 1.144 20 5 CDBDLP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000313358833 260287504 /nfs/dbraw/zinc/28/75/04/260287504.db2.gz UXIMHCSLAOKUTN-CYBMUJFWSA-N 2 2 265.313 1.144 20 5 CDBDLP Cn1cnc([N+](=O)[O-])c1C[N@H+](CCC[NH3+])CC1CCCC1 ZINC000352504712 303018752 /nfs/dbraw/zinc/01/87/52/303018752.db2.gz UAUFUINCJYEMKI-UHFFFAOYSA-N 2 2 295.387 1.669 20 5 CDBDLP Cn1cnc([N+](=O)[O-])c1C[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000352504712 303018755 /nfs/dbraw/zinc/01/87/55/303018755.db2.gz UAUFUINCJYEMKI-UHFFFAOYSA-N 2 2 295.387 1.669 20 5 CDBDLP CC[N@H+](C)C[C@H](O)C[NH+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000579021864 324086369 /nfs/dbraw/zinc/08/63/69/324086369.db2.gz IVORNVCJTAWZQA-HNNXBMFYSA-N 2 2 295.383 1.382 20 5 CDBDLP CC[N@@H+](C)C[C@H](O)C[NH+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000579021864 324086373 /nfs/dbraw/zinc/08/63/73/324086373.db2.gz IVORNVCJTAWZQA-HNNXBMFYSA-N 2 2 295.383 1.382 20 5 CDBDLP CC[NH+](C)C[C@H](O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000579021864 324086377 /nfs/dbraw/zinc/08/63/77/324086377.db2.gz IVORNVCJTAWZQA-HNNXBMFYSA-N 2 2 295.383 1.382 20 5 CDBDLP CC[NH+](C)C[C@H](O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000579021864 324086381 /nfs/dbraw/zinc/08/63/81/324086381.db2.gz IVORNVCJTAWZQA-HNNXBMFYSA-N 2 2 295.383 1.382 20 5 CDBDLP COc1ccc(C[NH2+]CCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000049077276 524071712 /nfs/dbraw/zinc/07/17/12/524071712.db2.gz XJKFCPNAQIYHJM-UHFFFAOYSA-N 2 2 276.296 1.590 20 5 CDBDLP Cc1[nH+]ccn1-c1ccc(C[NH2+]CC[N+](=O)[O-])cc1F ZINC000899875988 622499924 /nfs/dbraw/zinc/49/99/24/622499924.db2.gz MBTPISNMPOPQOW-UHFFFAOYSA-N 2 2 278.287 1.686 20 5 CDBDLP [NH3+][C@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000906507787 627294686 /nfs/dbraw/zinc/29/46/86/627294686.db2.gz CDNDNYMOAOXGRI-KYZUINATSA-N 2 2 255.705 1.828 20 5 CDBDLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886832179 811804766 /nfs/dbraw/zinc/80/47/66/811804766.db2.gz CHHUNUSSPMMPOH-NXEZZACHSA-N 2 2 250.302 1.159 20 5 CDBDLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886832179 811804767 /nfs/dbraw/zinc/80/47/67/811804767.db2.gz CHHUNUSSPMMPOH-NXEZZACHSA-N 2 2 250.302 1.159 20 5 CDBDLP O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000843356681 813614943 /nfs/dbraw/zinc/61/49/43/813614943.db2.gz VOIIPMHUKWYIQR-ZDUSSCGKSA-N 2 2 290.367 1.326 20 5 CDBDLP O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccc3[nH+]ccn3c2)C1 ZINC001169003580 927605018 /nfs/dbraw/zinc/60/50/18/927605018.db2.gz OKICIIVTBZAJPH-AAEUAGOBSA-N 2 2 274.324 1.869 20 5 CDBDLP C[NH2+][C@H]1CCN1c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001156660966 928899209 /nfs/dbraw/zinc/89/92/09/928899209.db2.gz VWXLLIDKNPWDKY-FVOPLDGLSA-N 2 2 277.328 1.278 20 5 CDBDLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001246103696 947955530 /nfs/dbraw/zinc/95/55/30/947955530.db2.gz YMBHPQPRQBVTNA-RIEGTJTDSA-N 2 2 275.352 1.650 20 5 CDBDLP O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)C2 ZINC001246119054 947970736 /nfs/dbraw/zinc/97/07/36/947970736.db2.gz ANGJIZLUZGFDLS-STQMWFEESA-N 2 2 261.325 1.404 20 5 CDBDLP C[C@@H]1C[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@H]1[NH3+] ZINC001246561233 948273081 /nfs/dbraw/zinc/27/30/81/948273081.db2.gz JOEFDXFLPZMIQR-BIGNPOOSSA-N 2 2 261.325 1.341 20 5 CDBDLP C[C@@H]1C[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@H]1[NH3+] ZINC001246561233 948273090 /nfs/dbraw/zinc/27/30/90/948273090.db2.gz JOEFDXFLPZMIQR-BIGNPOOSSA-N 2 2 261.325 1.341 20 5 CDBDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000535316699 282250916 /nfs/dbraw/zinc/25/09/16/282250916.db2.gz RGYAEWIIWBTPHB-LLVKDONJSA-N 2 2 290.327 1.014 20 5 CDBDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000535316699 282250919 /nfs/dbraw/zinc/25/09/19/282250919.db2.gz RGYAEWIIWBTPHB-LLVKDONJSA-N 2 2 290.327 1.014 20 5 CDBDLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000420382711 244179643 /nfs/dbraw/zinc/17/96/43/244179643.db2.gz ZYCRCCMGEYHTSG-JMSVASOKSA-N 2 2 293.367 1.950 20 5 CDBDLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000131707492 375323746 /nfs/dbraw/zinc/32/37/46/375323746.db2.gz RLUARGDDCSJJHK-MNOVXSKESA-N 2 2 292.339 1.202 20 5 CDBDLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000131707492 375323756 /nfs/dbraw/zinc/32/37/56/375323756.db2.gz RLUARGDDCSJJHK-MNOVXSKESA-N 2 2 292.339 1.202 20 5 CDBDLP O=[N+]([O-])c1cnn(CC[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000266908665 378604489 /nfs/dbraw/zinc/60/44/89/378604489.db2.gz CITDMONDHQYQRM-UHFFFAOYSA-N 2 2 290.327 1.394 20 5 CDBDLP O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H]1CCC[NH2+]C1)CC2 ZINC000346844072 285142665 /nfs/dbraw/zinc/14/26/65/285142665.db2.gz KRILGBPBRBJGRY-LBPRGKRZSA-N 2 2 275.352 1.953 20 5 CDBDLP O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H]1CCC[NH2+]C1)CC2 ZINC000346844072 285142666 /nfs/dbraw/zinc/14/26/66/285142666.db2.gz KRILGBPBRBJGRY-LBPRGKRZSA-N 2 2 275.352 1.953 20 5 CDBDLP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000268855252 132077678 /nfs/dbraw/zinc/07/76/78/132077678.db2.gz QQSRSXDFBNYJBT-IUODEOHRSA-N 2 2 293.367 1.702 20 5 CDBDLP COc1ccc(OCC[N@H+](C)[C@@H](C)C[NH3+])c([N+](=O)[O-])c1 ZINC000430943037 393107997 /nfs/dbraw/zinc/10/79/97/393107997.db2.gz OAESDFNUMBMPKG-JTQLQIEISA-N 2 2 283.328 1.261 20 5 CDBDLP COc1ccc(OCC[N@@H+](C)[C@@H](C)C[NH3+])c([N+](=O)[O-])c1 ZINC000430943037 393108001 /nfs/dbraw/zinc/10/80/01/393108001.db2.gz OAESDFNUMBMPKG-JTQLQIEISA-N 2 2 283.328 1.261 20 5 CDBDLP O=[N+]([O-])c1ccccc1C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261637808 140367918 /nfs/dbraw/zinc/36/79/18/140367918.db2.gz IKANUDMBBQNEPL-CQSZACIVSA-N 2 2 290.367 1.074 20 5 CDBDLP C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H](C[NH3+])C1CC1 ZINC000923359145 820859798 /nfs/dbraw/zinc/85/97/98/820859798.db2.gz OBOFEXRTUUUQBU-KGLIPLIRSA-N 2 2 279.340 1.297 20 5 CDBDLP C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H](C[NH3+])C1CC1 ZINC000923359145 820859802 /nfs/dbraw/zinc/85/98/02/820859802.db2.gz OBOFEXRTUUUQBU-KGLIPLIRSA-N 2 2 279.340 1.297 20 5 CDBDLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817981250 822379852 /nfs/dbraw/zinc/37/98/52/822379852.db2.gz HWPPXWBECUGENA-PWSUYJOCSA-N 2 2 294.355 1.206 20 5 CDBDLP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000852095531 822587050 /nfs/dbraw/zinc/58/70/50/822587050.db2.gz AMUJOUQYWMTUPP-SWLSCSKDSA-N 2 2 295.383 1.947 20 5 CDBDLP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000852095531 822587054 /nfs/dbraw/zinc/58/70/54/822587054.db2.gz AMUJOUQYWMTUPP-SWLSCSKDSA-N 2 2 295.383 1.947 20 5 CDBDLP Cc1cccc(NC(=[NH2+])N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC001168735722 921851829 /nfs/dbraw/zinc/85/18/29/921851829.db2.gz FXZHALWPPISNGV-UHFFFAOYSA-N 2 2 277.328 1.497 20 5 CDBDLP Cc1[nH+]c2c(n1-c1ncc(F)cc1[N+](=O)[O-])CC[NH2+]CC2 ZINC001165351352 939549940 /nfs/dbraw/zinc/54/99/40/939549940.db2.gz BUVZNNNGPPJOBV-UHFFFAOYSA-N 2 2 291.286 1.311 20 5 CDBDLP O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CCCn1cc[nH+]c1)C2 ZINC001254568391 947530975 /nfs/dbraw/zinc/53/09/75/947530975.db2.gz UEMYLOCMDRDLSR-AWEZNQCLSA-N 2 2 286.335 1.938 20 5 CDBDLP O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CC[C@@H]3[NH2+]CC[C@H]31)C2 ZINC001246628769 948365108 /nfs/dbraw/zinc/36/51/08/948365108.db2.gz CEEZSYIWCAEWGR-QLFBSQMISA-N 2 2 273.336 1.498 20 5 CDBDLP O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CC[C@@H]3[NH2+]CC[C@H]31)C2 ZINC001246628769 948365112 /nfs/dbraw/zinc/36/51/12/948365112.db2.gz CEEZSYIWCAEWGR-QLFBSQMISA-N 2 2 273.336 1.498 20 5 CDBDLP O=[N+]([O-])c1cccc(C[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)c1 ZINC000601327949 342554370 /nfs/dbraw/zinc/55/43/70/342554370.db2.gz ALAQAYFPYJBRCM-OCCSQVGLSA-N 2 2 261.325 1.827 20 5 CDBDLP Cc1noc(C[N@H+](C)CCCn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000595400519 343048488 /nfs/dbraw/zinc/04/84/88/343048488.db2.gz LVMSJIDCVRVSML-UHFFFAOYSA-N 2 2 279.300 1.610 20 5 CDBDLP Cc1noc(C[N@@H+](C)CCCn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000595400519 343048489 /nfs/dbraw/zinc/04/84/89/343048489.db2.gz LVMSJIDCVRVSML-UHFFFAOYSA-N 2 2 279.300 1.610 20 5 CDBDLP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000595415753 343054294 /nfs/dbraw/zinc/05/42/94/343054294.db2.gz SHTZSOZDWKDLNU-WFASDCNBSA-N 2 2 295.383 1.947 20 5 CDBDLP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000595415753 343054295 /nfs/dbraw/zinc/05/42/95/343054295.db2.gz SHTZSOZDWKDLNU-WFASDCNBSA-N 2 2 295.383 1.947 20 5 CDBDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000535316700 282251093 /nfs/dbraw/zinc/25/10/93/282251093.db2.gz RGYAEWIIWBTPHB-NSHDSACASA-N 2 2 290.327 1.014 20 5 CDBDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000535316700 282251095 /nfs/dbraw/zinc/25/10/95/282251095.db2.gz RGYAEWIIWBTPHB-NSHDSACASA-N 2 2 290.327 1.014 20 5 CDBDLP C[NH2+]CCC[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414861339 370898714 /nfs/dbraw/zinc/89/87/14/370898714.db2.gz RYJZNCMVVJECTM-UHFFFAOYSA-N 2 2 289.282 1.895 20 5 CDBDLP CC[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000154341013 374697798 /nfs/dbraw/zinc/69/77/98/374697798.db2.gz VUKCWGFDSVDNPU-KGLIPLIRSA-N 2 2 281.356 1.558 20 5 CDBDLP Cc1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000357109249 375886893 /nfs/dbraw/zinc/88/68/93/375886893.db2.gz XDEVWKVCPPZJQS-KGLIPLIRSA-N 2 2 275.352 1.945 20 5 CDBDLP Cc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000357109249 375886900 /nfs/dbraw/zinc/88/69/00/375886900.db2.gz XDEVWKVCPPZJQS-KGLIPLIRSA-N 2 2 275.352 1.945 20 5 CDBDLP Cc1c(NC(=O)CC[N@@H+](C)[C@H](C)C[NH3+])cccc1[N+](=O)[O-] ZINC000430942760 393107901 /nfs/dbraw/zinc/10/79/01/393107901.db2.gz DYDZXDWWOICBKS-SNVBAGLBSA-N 2 2 294.355 1.511 20 5 CDBDLP Cc1c(NC(=O)CC[N@H+](C)[C@H](C)C[NH3+])cccc1[N+](=O)[O-] ZINC000430942760 393107905 /nfs/dbraw/zinc/10/79/05/393107905.db2.gz DYDZXDWWOICBKS-SNVBAGLBSA-N 2 2 294.355 1.511 20 5 CDBDLP O=[N+]([O-])c1cnn(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000738159445 576045150 /nfs/dbraw/zinc/04/51/50/576045150.db2.gz SRZLYIZVOXRJSN-NSHDSACASA-N 2 2 276.300 1.282 20 5 CDBDLP O=[N+]([O-])c1cnn(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000738159445 576045151 /nfs/dbraw/zinc/04/51/51/576045151.db2.gz SRZLYIZVOXRJSN-NSHDSACASA-N 2 2 276.300 1.282 20 5 CDBDLP C[C@](CO)([NH2+]C[C@]12C[C@H]1C[NH2+]C2)c1cccc([N+](=O)[O-])c1 ZINC001576035937 1171317102 /nfs/dbraw/zinc/31/71/02/1171317102.db2.gz FVCPTYUFKCVLGG-NWANDNLSSA-N 2 2 291.351 1.001 20 5 CDBDLP O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000923359547 827895429 /nfs/dbraw/zinc/89/54/29/827895429.db2.gz RKDDHSVJYXQORJ-VHDGCEQUSA-N 2 2 291.351 1.312 20 5 CDBDLP O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000923359547 827895430 /nfs/dbraw/zinc/89/54/30/827895430.db2.gz RKDDHSVJYXQORJ-VHDGCEQUSA-N 2 2 291.351 1.312 20 5 CDBDLP O=[N+]([O-])c1ccccc1C[NH+]1CCC([NH2+]CCO)CC1 ZINC000601328079 342554350 /nfs/dbraw/zinc/55/43/50/342554350.db2.gz GGBQGRUNICDLRA-UHFFFAOYSA-N 2 2 279.340 1.141 20 5 CDBDLP C[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000593902426 342853697 /nfs/dbraw/zinc/85/36/97/342853697.db2.gz SWINMJKILKDOAC-GWCFXTLKSA-N 2 2 294.355 1.051 20 5 CDBDLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000129024699 345254192 /nfs/dbraw/zinc/25/41/92/345254192.db2.gz YHSBKPLVYNHXSQ-BXKDBHETSA-N 2 2 292.339 1.005 20 5 CDBDLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000129024699 345254195 /nfs/dbraw/zinc/25/41/95/345254195.db2.gz YHSBKPLVYNHXSQ-BXKDBHETSA-N 2 2 292.339 1.005 20 5 CDBDLP Cc1cc[nH+]cc1CCC[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000290453500 366519081 /nfs/dbraw/zinc/51/90/81/366519081.db2.gz SXNSYJLTQBPJRR-UHFFFAOYSA-N 2 2 289.339 1.717 20 5 CDBDLP CCC[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000154318968 368156112 /nfs/dbraw/zinc/15/61/12/368156112.db2.gz QNUSOKKMVAHSME-LSDHHAIUSA-N 2 2 295.383 1.948 20 5 CDBDLP C[NH2+]CCC[N@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000124965718 374875307 /nfs/dbraw/zinc/87/53/07/374875307.db2.gz QRWJBIDSJOZTKJ-UHFFFAOYSA-N 2 2 267.329 1.645 20 5 CDBDLP C[NH2+]CCC[N@@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000124965718 374875312 /nfs/dbraw/zinc/87/53/12/374875312.db2.gz QRWJBIDSJOZTKJ-UHFFFAOYSA-N 2 2 267.329 1.645 20 5 CDBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000415097920 391257628 /nfs/dbraw/zinc/25/76/28/391257628.db2.gz ULDLYTJFULGRAX-ZDUSSCGKSA-N 2 2 295.339 1.072 20 5 CDBDLP O=[N+]([O-])c1cnn(CC[NH+]2CCC([NH2+]CC3CC3)CC2)c1 ZINC000430582195 393101000 /nfs/dbraw/zinc/10/10/00/393101000.db2.gz JPZJETUFGQSOPZ-UHFFFAOYSA-N 2 2 293.371 1.255 20 5 CDBDLP [NH3+]C[C@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000430600201 393102541 /nfs/dbraw/zinc/10/25/41/393102541.db2.gz ATXHZFPUTCKWFY-SNVBAGLBSA-N 2 2 267.304 1.905 20 5 CDBDLP [NH3+]C[C@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000430600201 393102546 /nfs/dbraw/zinc/10/25/46/393102546.db2.gz ATXHZFPUTCKWFY-SNVBAGLBSA-N 2 2 267.304 1.905 20 5 CDBDLP C[C@@H](C[NH3+])[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000430941047 393107639 /nfs/dbraw/zinc/10/76/39/393107639.db2.gz TXCYUZMJINERSR-JTQLQIEISA-N 2 2 253.302 1.253 20 5 CDBDLP C[C@@H](C[NH3+])[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000430941047 393107644 /nfs/dbraw/zinc/10/76/44/393107644.db2.gz TXCYUZMJINERSR-JTQLQIEISA-N 2 2 253.302 1.253 20 5 CDBDLP C[C@]1(C[NH3+])CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000261590520 140357627 /nfs/dbraw/zinc/35/76/27/140357627.db2.gz LHAGFDXZJGPERG-CYBMUJFWSA-N 2 2 267.304 1.905 20 5 CDBDLP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000261590520 140357628 /nfs/dbraw/zinc/35/76/28/140357628.db2.gz LHAGFDXZJGPERG-CYBMUJFWSA-N 2 2 267.304 1.905 20 5 CDBDLP COc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1[N+](=O)[O-] ZINC000261604221 140362079 /nfs/dbraw/zinc/36/20/79/140362079.db2.gz CLWCSGLFQQCJLM-STQMWFEESA-N 2 2 291.351 1.787 20 5 CDBDLP COc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1[N+](=O)[O-] ZINC000261604221 140362081 /nfs/dbraw/zinc/36/20/81/140362081.db2.gz CLWCSGLFQQCJLM-STQMWFEESA-N 2 2 291.351 1.787 20 5 CDBDLP C[NH+](C)CC1CC[NH+](Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000738077698 574579264 /nfs/dbraw/zinc/57/92/64/574579264.db2.gz WZYTUZULYPNEIO-UHFFFAOYSA-N 2 2 267.333 1.022 20 5 CDBDLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818959073 834012761 /nfs/dbraw/zinc/01/27/61/834012761.db2.gz BYUQVKQEWIUAAN-BXUZGUMPSA-N 2 2 290.323 1.503 20 5 CDBDLP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@H]2C[C@@]2([NH3+])C1 ZINC001246870925 932307398 /nfs/dbraw/zinc/30/73/98/932307398.db2.gz QBAYSYSMQANXRA-MPKXVKKWSA-N 2 2 261.325 1.559 20 5 CDBDLP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H]2C[C@@]2([NH3+])C1 ZINC001246870925 932307403 /nfs/dbraw/zinc/30/74/03/932307403.db2.gz QBAYSYSMQANXRA-MPKXVKKWSA-N 2 2 261.325 1.559 20 5 CDBDLP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1C[C@H]3C[NH2+]C[C@@H]31)CC2 ZINC001246917127 948518536 /nfs/dbraw/zinc/51/85/36/948518536.db2.gz KBAGLDSWPDHUQU-FMKPAKJESA-N 2 2 287.363 1.746 20 5 CDBDLP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1C[C@H]3C[NH2+]C[C@@H]31)CC2 ZINC001246917127 948518538 /nfs/dbraw/zinc/51/85/38/948518538.db2.gz KBAGLDSWPDHUQU-FMKPAKJESA-N 2 2 287.363 1.746 20 5 CDBDLP O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000599007986 358724651 /nfs/dbraw/zinc/72/46/51/358724651.db2.gz FPWICDJQEHTGLD-LYKUJDHUSA-N 2 2 291.351 1.264 20 5 CDBDLP O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000599007986 358724654 /nfs/dbraw/zinc/72/46/54/358724654.db2.gz FPWICDJQEHTGLD-LYKUJDHUSA-N 2 2 291.351 1.264 20 5 CDBDLP CC1([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC[NH2+]CC1 ZINC000414930847 371112380 /nfs/dbraw/zinc/11/23/80/371112380.db2.gz BDEGHCNYADIWAM-UHFFFAOYSA-N 2 2 267.304 1.966 20 5 CDBDLP COc1cc(C[N@@H+]2CC[C@H](C[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000347089853 373740818 /nfs/dbraw/zinc/74/08/18/373740818.db2.gz DQNXRCKLTCHUCL-SNVBAGLBSA-N 2 2 295.339 1.393 20 5 CDBDLP COc1cc(C[N@H+]2CC[C@H](C[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000347089853 373740828 /nfs/dbraw/zinc/74/08/28/373740828.db2.gz DQNXRCKLTCHUCL-SNVBAGLBSA-N 2 2 295.339 1.393 20 5 CDBDLP Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000376645476 374566608 /nfs/dbraw/zinc/56/66/08/374566608.db2.gz UNQVEXJUMDGHLK-NEPJUHHUSA-N 2 2 293.371 1.244 20 5 CDBDLP Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000376645476 374566614 /nfs/dbraw/zinc/56/66/14/374566614.db2.gz UNQVEXJUMDGHLK-NEPJUHHUSA-N 2 2 293.371 1.244 20 5 CDBDLP Cn1cnc([N+](=O)[O-])c1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000376645476 374566616 /nfs/dbraw/zinc/56/66/16/374566616.db2.gz UNQVEXJUMDGHLK-NEPJUHHUSA-N 2 2 293.371 1.244 20 5 CDBDLP Cn1cnc([N+](=O)[O-])c1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000376645476 374566625 /nfs/dbraw/zinc/56/66/25/374566625.db2.gz UNQVEXJUMDGHLK-NEPJUHHUSA-N 2 2 293.371 1.244 20 5 CDBDLP C[NH2+]CCC[N@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000415140922 391261428 /nfs/dbraw/zinc/26/14/28/391261428.db2.gz ZUGDXVVOUVDADR-UHFFFAOYSA-N 2 2 251.330 1.945 20 5 CDBDLP C[NH2+]CCC[N@@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000415140922 391261430 /nfs/dbraw/zinc/26/14/30/391261430.db2.gz ZUGDXVVOUVDADR-UHFFFAOYSA-N 2 2 251.330 1.945 20 5 CDBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430965396 393107400 /nfs/dbraw/zinc/10/74/00/393107400.db2.gz LEUPPNULZNMIDY-MNOVXSKESA-N 2 2 292.339 1.202 20 5 CDBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430965396 393107407 /nfs/dbraw/zinc/10/74/07/393107407.db2.gz LEUPPNULZNMIDY-MNOVXSKESA-N 2 2 292.339 1.202 20 5 CDBDLP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000579494195 324206721 /nfs/dbraw/zinc/20/67/21/324206721.db2.gz GPACXNCDOVQPQY-ZFWWWQNUSA-N 2 2 291.351 1.238 20 5 CDBDLP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000579494195 324206726 /nfs/dbraw/zinc/20/67/26/324206726.db2.gz GPACXNCDOVQPQY-ZFWWWQNUSA-N 2 2 291.351 1.238 20 5 CDBDLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000579580817 324221572 /nfs/dbraw/zinc/22/15/72/324221572.db2.gz MYMWKTWHTXKUCZ-FZMZJTMJSA-N 2 2 279.340 1.561 20 5 CDBDLP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000068803082 525397216 /nfs/dbraw/zinc/39/72/16/525397216.db2.gz DMCHJNBQTLJVMV-SWLSCSKDSA-N 2 2 292.383 1.491 20 5 CDBDLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000068803082 525397224 /nfs/dbraw/zinc/39/72/24/525397224.db2.gz DMCHJNBQTLJVMV-SWLSCSKDSA-N 2 2 292.383 1.491 20 5 CDBDLP O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCn2cc[nH+]c2)cc1 ZINC000105909050 836970999 /nfs/dbraw/zinc/97/09/99/836970999.db2.gz BTJHEKGQCRONNO-CYBMUJFWSA-N 2 2 276.296 1.115 20 5 CDBDLP O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000843356680 837943578 /nfs/dbraw/zinc/94/35/78/837943578.db2.gz VOIIPMHUKWYIQR-CYBMUJFWSA-N 2 2 290.367 1.326 20 5 CDBDLP CC[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817979854 839717680 /nfs/dbraw/zinc/71/76/80/839717680.db2.gz PUBKKYJDHYPKPN-SCZZXKLOSA-N 2 2 252.318 1.565 20 5 CDBDLP O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1Cl ZINC000841087229 839818189 /nfs/dbraw/zinc/81/81/89/839818189.db2.gz RWCCPWPXKTVWGE-NSHDSACASA-N 2 2 299.758 1.716 20 5 CDBDLP O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C3CCC3)C2)C1 ZINC001168995240 927600806 /nfs/dbraw/zinc/60/08/06/927600806.db2.gz SASKYKISOBRFFH-AGIUHOORSA-N 2 2 267.373 1.648 20 5 CDBDLP O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C3CCC3)C2)C1 ZINC001168995240 927600812 /nfs/dbraw/zinc/60/08/12/927600812.db2.gz SASKYKISOBRFFH-AGIUHOORSA-N 2 2 267.373 1.648 20 5 CDBDLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254572579 947532237 /nfs/dbraw/zinc/53/22/37/947532237.db2.gz QNWDYANVXLWXKF-ZFWWWQNUSA-N 2 2 275.352 1.746 20 5 CDBDLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254572579 947532243 /nfs/dbraw/zinc/53/22/43/947532243.db2.gz QNWDYANVXLWXKF-ZFWWWQNUSA-N 2 2 275.352 1.746 20 5 CDBDLP O=[N+]([O-])c1ccc(OCC[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)cc1 ZINC000601328350 342554451 /nfs/dbraw/zinc/55/44/51/342554451.db2.gz MNOWTDXAMVBNFV-DOMZBBRYSA-N 2 2 291.351 1.705 20 5 CDBDLP [NH3+][C@@H](C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CC1 ZINC000591278204 342624205 /nfs/dbraw/zinc/62/42/05/342624205.db2.gz CNKRVARQFIZJRX-NSHDSACASA-N 2 2 293.323 1.193 20 5 CDBDLP [NH3+][C@]12CCC[C@H]1C[N@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC000598680423 343863764 /nfs/dbraw/zinc/86/37/64/343863764.db2.gz BOVXBAYCDVHSNN-JSGCOSHPSA-N 2 2 261.325 1.908 20 5 CDBDLP [NH3+][C@]12CCC[C@H]1C[N@@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC000598680423 343863768 /nfs/dbraw/zinc/86/37/68/343863768.db2.gz BOVXBAYCDVHSNN-JSGCOSHPSA-N 2 2 261.325 1.908 20 5 CDBDLP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000090320426 347653142 /nfs/dbraw/zinc/65/31/42/347653142.db2.gz JBENYCSBCMSASW-IJLUTSLNSA-N 2 2 261.325 1.807 20 5 CDBDLP O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1CCC[NH2+]C1 ZINC000414861090 370898590 /nfs/dbraw/zinc/89/85/90/370898590.db2.gz DXMPMRUOQOJAAL-ACVFHECNSA-N 2 2 261.325 1.950 20 5 CDBDLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000420374432 244167990 /nfs/dbraw/zinc/16/79/90/244167990.db2.gz RZGUHYHJYNDOOJ-XUJVJEKNSA-N 2 2 293.367 1.950 20 5 CDBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)C[NH3+] ZINC000414928822 370384942 /nfs/dbraw/zinc/38/49/42/370384942.db2.gz NFXVROOQQJVVKH-SECBINFHSA-N 2 2 253.302 1.430 20 5 CDBDLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000423487764 374384757 /nfs/dbraw/zinc/38/47/57/374384757.db2.gz XTXNJEOAVMXHCS-SMDDNHRTSA-N 2 2 278.356 1.149 20 5 CDBDLP CCOc1ccc([C@H](C)[NH2+]CC[NH3+])cc1[N+](=O)[O-] ZINC000423175976 392958341 /nfs/dbraw/zinc/95/83/41/392958341.db2.gz BIJRJCQFHFARAB-VIFPVBQESA-N 2 2 253.302 1.603 20 5 CDBDLP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430935470 393105516 /nfs/dbraw/zinc/10/55/16/393105516.db2.gz UDGYHMFMJVPKTA-MNOVXSKESA-N 2 2 292.339 1.202 20 5 CDBDLP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430935470 393105520 /nfs/dbraw/zinc/10/55/20/393105520.db2.gz UDGYHMFMJVPKTA-MNOVXSKESA-N 2 2 292.339 1.202 20 5 CDBDLP O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261653659 140369351 /nfs/dbraw/zinc/36/93/51/140369351.db2.gz YLDPBGRQZTYRNN-DGCLKSJQSA-N 2 2 261.325 1.636 20 5 CDBDLP O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261653659 140369352 /nfs/dbraw/zinc/36/93/52/140369352.db2.gz YLDPBGRQZTYRNN-DGCLKSJQSA-N 2 2 261.325 1.636 20 5 CDBDLP O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000261663032 140372030 /nfs/dbraw/zinc/37/20/30/140372030.db2.gz ZIODTONVABTXJE-OCCSQVGLSA-N 2 2 261.325 1.779 20 5 CDBDLP O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000261663032 140372031 /nfs/dbraw/zinc/37/20/31/140372031.db2.gz ZIODTONVABTXJE-OCCSQVGLSA-N 2 2 261.325 1.779 20 5 CDBDLP O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c(F)c1 ZINC000261696774 140376128 /nfs/dbraw/zinc/37/61/28/140376128.db2.gz IBXASHVMQYQJEE-AWEZNQCLSA-N 2 2 279.315 1.919 20 5 CDBDLP O=[N+]([O-])c1ccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c(F)c1 ZINC000261696774 140376131 /nfs/dbraw/zinc/37/61/31/140376131.db2.gz IBXASHVMQYQJEE-AWEZNQCLSA-N 2 2 279.315 1.919 20 5 CDBDLP Cc1c[nH+]c(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])n1C ZINC000348937326 154010738 /nfs/dbraw/zinc/01/07/38/154010738.db2.gz VVJOLQIPEPBEDG-UHFFFAOYSA-N 2 2 289.339 1.602 20 5 CDBDLP O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccc3[nH+]ccn3c2)C1 ZINC001169003582 927606262 /nfs/dbraw/zinc/60/62/62/927606262.db2.gz OKICIIVTBZAJPH-WCQYABFASA-N 2 2 274.324 1.869 20 5 CDBDLP C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]1 ZINC000564826501 365527237 /nfs/dbraw/zinc/52/72/37/365527237.db2.gz QBGDEXCXVORCTF-SMDDNHRTSA-N 2 2 279.340 1.704 20 5 CDBDLP O=[N+]([O-])c1ccc(CC[N@@H+]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000590599509 342579686 /nfs/dbraw/zinc/57/96/86/342579686.db2.gz IBMZREGUXZANNU-UHFFFAOYSA-N 2 2 272.308 1.919 20 5 CDBDLP O=[N+]([O-])c1ccc(CC[N@H+]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000590599509 342579687 /nfs/dbraw/zinc/57/96/87/342579687.db2.gz IBMZREGUXZANNU-UHFFFAOYSA-N 2 2 272.308 1.919 20 5 CDBDLP CC(C)[C@H]([NH3+])C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000591275111 342623960 /nfs/dbraw/zinc/62/39/60/342623960.db2.gz DNBGXWCJNWXBOD-LLVKDONJSA-N 2 2 295.339 1.439 20 5 CDBDLP CC[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000154340801 374697693 /nfs/dbraw/zinc/69/76/93/374697693.db2.gz VUKCWGFDSVDNPU-KBPBESRZSA-N 2 2 281.356 1.558 20 5 CDBDLP [NH3+]C[C@@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCCO1 ZINC000415116537 391035800 /nfs/dbraw/zinc/03/58/00/391035800.db2.gz VYKILSYZPBDJGP-BOTMBNHJSA-N 2 2 291.351 1.658 20 5 CDBDLP [NH3+]C[C@@H]1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCCO1 ZINC000415116537 391035805 /nfs/dbraw/zinc/03/58/05/391035805.db2.gz VYKILSYZPBDJGP-BOTMBNHJSA-N 2 2 291.351 1.658 20 5 CDBDLP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430965398 393107338 /nfs/dbraw/zinc/10/73/38/393107338.db2.gz LEUPPNULZNMIDY-QWRGUYRKSA-N 2 2 292.339 1.202 20 5 CDBDLP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430965398 393107345 /nfs/dbraw/zinc/10/73/45/393107345.db2.gz LEUPPNULZNMIDY-QWRGUYRKSA-N 2 2 292.339 1.202 20 5 CDBDLP O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000261669924 140373166 /nfs/dbraw/zinc/37/31/66/140373166.db2.gz ZWYYZCPDLKMMNI-CQSZACIVSA-N 2 2 261.325 1.780 20 5 CDBDLP O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000261669924 140373167 /nfs/dbraw/zinc/37/31/67/140373167.db2.gz ZWYYZCPDLKMMNI-CQSZACIVSA-N 2 2 261.325 1.780 20 5 CDBDLP C[C@@H]1C[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000094342108 147084034 /nfs/dbraw/zinc/08/40/34/147084034.db2.gz QISNQWFADVFCID-SKDRFNHKSA-N 2 2 267.304 1.903 20 5 CDBDLP C[C@@H]1C[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000094342108 147084037 /nfs/dbraw/zinc/08/40/37/147084037.db2.gz QISNQWFADVFCID-SKDRFNHKSA-N 2 2 267.304 1.903 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000044529420 175193829 /nfs/dbraw/zinc/19/38/29/175193829.db2.gz ZGZPOPWZJISNRI-NSHDSACASA-N 2 2 279.340 1.774 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000044529420 175193831 /nfs/dbraw/zinc/19/38/31/175193831.db2.gz ZGZPOPWZJISNRI-NSHDSACASA-N 2 2 279.340 1.774 20 5 CDBDLP C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C1C[NH2+]C1 ZINC000817907702 697836002 /nfs/dbraw/zinc/83/60/02/697836002.db2.gz QTGJZOJILTTYFJ-QMMMGPOBSA-N 2 2 269.732 1.946 20 5 CDBDLP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817979855 848588877 /nfs/dbraw/zinc/58/88/77/848588877.db2.gz PUBKKYJDHYPKPN-WCBMZHEXSA-N 2 2 252.318 1.565 20 5 CDBDLP CC(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168972377 927596226 /nfs/dbraw/zinc/59/62/26/927596226.db2.gz MTSHDGDKUCKOEN-UPJWGTAASA-N 2 2 255.362 1.504 20 5 CDBDLP CC(C)[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168972377 927596240 /nfs/dbraw/zinc/59/62/40/927596240.db2.gz MTSHDGDKUCKOEN-UPJWGTAASA-N 2 2 255.362 1.504 20 5 CDBDLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]21 ZINC001169050050 927669881 /nfs/dbraw/zinc/66/98/81/927669881.db2.gz YJYAOKYRLOILGR-SYQHCUMBSA-N 2 2 267.373 1.458 20 5 CDBDLP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]21 ZINC001169050050 927669885 /nfs/dbraw/zinc/66/98/85/927669885.db2.gz YJYAOKYRLOILGR-SYQHCUMBSA-N 2 2 267.373 1.458 20 5 CDBDLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]21 ZINC001169050050 927669889 /nfs/dbraw/zinc/66/98/89/927669889.db2.gz YJYAOKYRLOILGR-SYQHCUMBSA-N 2 2 267.373 1.458 20 5 CDBDLP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]21 ZINC001169050050 927669891 /nfs/dbraw/zinc/66/98/91/927669891.db2.gz YJYAOKYRLOILGR-SYQHCUMBSA-N 2 2 267.373 1.458 20 5 CDBDLP C[NH2+][C@H](C)CC[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC001261370229 946079357 /nfs/dbraw/zinc/07/93/57/946079357.db2.gz CKLSNVUFJSMGIQ-SNVBAGLBSA-N 2 2 297.355 1.700 20 5 CDBDLP O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@H]1CCC[NH2+]C1)C2 ZINC001246119053 947969576 /nfs/dbraw/zinc/96/95/76/947969576.db2.gz ANGJIZLUZGFDLS-QWHCGFSZSA-N 2 2 261.325 1.404 20 5 CDBDLP [NH3+][C@@]12CCC[C@@H]1C[N@H+](CCOc1ccccc1[N+](=O)[O-])C2 ZINC000598684379 343864946 /nfs/dbraw/zinc/86/49/46/343864946.db2.gz WIEJLRAGOZFLMN-IUODEOHRSA-N 2 2 291.351 1.787 20 5 CDBDLP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C2 ZINC000598684379 343864948 /nfs/dbraw/zinc/86/49/48/343864948.db2.gz WIEJLRAGOZFLMN-IUODEOHRSA-N 2 2 291.351 1.787 20 5 CDBDLP O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)n1 ZINC000610485187 346291828 /nfs/dbraw/zinc/29/18/28/346291828.db2.gz VMTRENYFXGRAAB-LBPRGKRZSA-N 2 2 290.327 1.325 20 5 CDBDLP O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)n1 ZINC000610485187 346291831 /nfs/dbraw/zinc/29/18/31/346291831.db2.gz VMTRENYFXGRAAB-LBPRGKRZSA-N 2 2 290.327 1.325 20 5 CDBDLP C[N@H+](C[C@@H](O)C[NH2+]Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000312577149 350786212 /nfs/dbraw/zinc/78/62/12/350786212.db2.gz ABUCQTYCTKETEN-AWEZNQCLSA-N 2 2 279.340 1.140 20 5 CDBDLP C[N@@H+](C[C@@H](O)C[NH2+]Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000312577149 350786213 /nfs/dbraw/zinc/78/62/13/350786213.db2.gz ABUCQTYCTKETEN-AWEZNQCLSA-N 2 2 279.340 1.140 20 5 CDBDLP C[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000154278033 188133085 /nfs/dbraw/zinc/13/30/85/188133085.db2.gz AMIKFJGVODYHHX-WFASDCNBSA-N 2 2 293.367 1.512 20 5 CDBDLP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000154278033 188133086 /nfs/dbraw/zinc/13/30/86/188133086.db2.gz AMIKFJGVODYHHX-WFASDCNBSA-N 2 2 293.367 1.512 20 5 CDBDLP O=[N+]([O-])c1cccc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000112839622 366160253 /nfs/dbraw/zinc/16/02/53/366160253.db2.gz ASELPBHSONJWDK-CABCVRRESA-N 2 2 291.351 1.548 20 5 CDBDLP C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C1(C[NH3+])CCC1 ZINC000420337135 244106460 /nfs/dbraw/zinc/10/64/60/244106460.db2.gz WKWIYAQDMGBASN-UHFFFAOYSA-N 2 2 279.340 1.787 20 5 CDBDLP C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C1(C[NH3+])CCC1 ZINC000420337135 244106467 /nfs/dbraw/zinc/10/64/67/244106467.db2.gz WKWIYAQDMGBASN-UHFFFAOYSA-N 2 2 279.340 1.787 20 5 CDBDLP CC(C)(C)[C@H](C[NH3+])[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420373909 244163807 /nfs/dbraw/zinc/16/38/07/244163807.db2.gz ZPAXLGIVQMEXEA-LBPRGKRZSA-N 2 2 294.355 1.496 20 5 CDBDLP C[C@@H](C[NH3+])[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414944743 371137800 /nfs/dbraw/zinc/13/78/00/371137800.db2.gz OPZHQELOENPBGK-ZETCQYMHSA-N 2 2 275.255 1.633 20 5 CDBDLP [NH3+]C1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCC1 ZINC000342130990 130289586 /nfs/dbraw/zinc/28/95/86/130289586.db2.gz OGAFMMWBYQHXIR-UHFFFAOYSA-N 2 2 253.277 1.705 20 5 CDBDLP C[C@H]1C[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000251839759 140312216 /nfs/dbraw/zinc/31/22/16/140312216.db2.gz QISNQWFADVFCID-JOYOIKCWSA-N 2 2 267.304 1.903 20 5 CDBDLP C[C@H]1C[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000251839759 140312217 /nfs/dbraw/zinc/31/22/17/140312217.db2.gz QISNQWFADVFCID-JOYOIKCWSA-N 2 2 267.304 1.903 20 5 CDBDLP O=[N+]([O-])c1ccccc1C[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252667288 140321280 /nfs/dbraw/zinc/32/12/80/140321280.db2.gz IEHVBBOTWJJUCH-KBPBESRZSA-N 2 2 291.351 1.548 20 5 CDBDLP O=[N+]([O-])c1ccccc1C[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252667288 140321281 /nfs/dbraw/zinc/32/12/81/140321281.db2.gz IEHVBBOTWJJUCH-KBPBESRZSA-N 2 2 291.351 1.548 20 5 CDBDLP Cc1[nH+]cc2n1CC[N@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169010240 927614041 /nfs/dbraw/zinc/61/40/41/927614041.db2.gz BRMAYLZVDWKPBD-RYUDHWBXSA-N 2 2 264.329 1.453 20 5 CDBDLP Cc1[nH+]cc2n1CC[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169010240 927614047 /nfs/dbraw/zinc/61/40/47/927614047.db2.gz BRMAYLZVDWKPBD-RYUDHWBXSA-N 2 2 264.329 1.453 20 5 CDBDLP [NH3+]C[C@@H]1CCC[N@@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254573808 947532991 /nfs/dbraw/zinc/53/29/91/947532991.db2.gz CIRIUEGAIVERKH-KBPBESRZSA-N 2 2 261.325 1.485 20 5 CDBDLP [NH3+]C[C@@H]1CCC[N@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254573808 947532995 /nfs/dbraw/zinc/53/29/95/947532995.db2.gz CIRIUEGAIVERKH-KBPBESRZSA-N 2 2 261.325 1.485 20 5 CDBDLP C[C@H]1CC[C@H]([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[NH2+]1 ZINC001246080053 947933010 /nfs/dbraw/zinc/93/30/10/947933010.db2.gz MUTWFIORBVQKPJ-BPNCWPANSA-N 2 2 275.352 1.792 20 5 CDBDLP [NH3+]C[C@]1(F)CCCC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001246572803 948297111 /nfs/dbraw/zinc/29/71/11/948297111.db2.gz BIGDWEADDUWPAJ-YNEHKIRRSA-N 2 2 273.352 1.585 20 5 CDBDLP [NH3+]C[C@]1(F)CCCC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001246572803 948297119 /nfs/dbraw/zinc/29/71/19/948297119.db2.gz BIGDWEADDUWPAJ-YNEHKIRRSA-N 2 2 273.352 1.585 20 5 CDBDLP O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)cc1 ZINC000591448638 342632981 /nfs/dbraw/zinc/63/29/81/342632981.db2.gz KUVFBTHDAIWWDJ-ZFWWWQNUSA-N 2 2 275.352 1.821 20 5 CDBDLP O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)cc1 ZINC000591448638 342632982 /nfs/dbraw/zinc/63/29/82/342632982.db2.gz KUVFBTHDAIWWDJ-ZFWWWQNUSA-N 2 2 275.352 1.821 20 5 CDBDLP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CCC[NH3+] ZINC000592473967 342698784 /nfs/dbraw/zinc/69/87/84/342698784.db2.gz XXVNIRYMFJBHEB-JTQLQIEISA-N 2 2 280.328 1.202 20 5 CDBDLP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)CCC[NH3+] ZINC000592473967 342698785 /nfs/dbraw/zinc/69/87/85/342698785.db2.gz XXVNIRYMFJBHEB-JTQLQIEISA-N 2 2 280.328 1.202 20 5 CDBDLP Cc1noc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c1[N+](=O)[O-] ZINC000595348101 343045031 /nfs/dbraw/zinc/04/50/31/343045031.db2.gz ZCCLRQMLHXXVJX-UHFFFAOYSA-N 2 2 291.311 1.925 20 5 CDBDLP C[N@H+](CCC[NH3+])Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000565774526 365719935 /nfs/dbraw/zinc/71/99/35/365719935.db2.gz DBGQVJUWGSBLQD-UHFFFAOYSA-N 2 2 289.282 1.977 20 5 CDBDLP C[N@@H+](CCC[NH3+])Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000565774526 365719940 /nfs/dbraw/zinc/71/99/40/365719940.db2.gz DBGQVJUWGSBLQD-UHFFFAOYSA-N 2 2 289.282 1.977 20 5 CDBDLP O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)n1 ZINC000610485186 346291887 /nfs/dbraw/zinc/29/18/87/346291887.db2.gz VMTRENYFXGRAAB-GFCCVEGCSA-N 2 2 290.327 1.325 20 5 CDBDLP O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)n1 ZINC000610485186 346291893 /nfs/dbraw/zinc/29/18/93/346291893.db2.gz VMTRENYFXGRAAB-GFCCVEGCSA-N 2 2 290.327 1.325 20 5 CDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)C1CC([NH3+])C1 ZINC000420331912 244095938 /nfs/dbraw/zinc/09/59/38/244095938.db2.gz MWOONSSDXGFJBR-UHFFFAOYSA-N 2 2 292.339 1.263 20 5 CDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)C1CC([NH3+])C1 ZINC000420331912 244095943 /nfs/dbraw/zinc/09/59/43/244095943.db2.gz MWOONSSDXGFJBR-UHFFFAOYSA-N 2 2 292.339 1.263 20 5 CDBDLP C[NH2+]CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420390827 244192459 /nfs/dbraw/zinc/19/24/59/244192459.db2.gz RAPFSKIWSDJTBX-NSHDSACASA-N 2 2 294.355 1.463 20 5 CDBDLP C[NH2+]CCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420390827 244192466 /nfs/dbraw/zinc/19/24/66/244192466.db2.gz RAPFSKIWSDJTBX-NSHDSACASA-N 2 2 294.355 1.463 20 5 CDBDLP COc1ccc(C[NH2+][C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000414874822 370963960 /nfs/dbraw/zinc/96/39/60/370963960.db2.gz ZLKSCSWHJZYXOQ-LLVKDONJSA-N 2 2 265.313 1.445 20 5 CDBDLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000131551126 375284618 /nfs/dbraw/zinc/28/46/18/375284618.db2.gz DQWWGTQGLLACAN-RKDXNWHRSA-N 2 2 255.343 1.825 20 5 CDBDLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000131551126 375284621 /nfs/dbraw/zinc/28/46/21/375284621.db2.gz DQWWGTQGLLACAN-RKDXNWHRSA-N 2 2 255.343 1.825 20 5 CDBDLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000351864400 375335969 /nfs/dbraw/zinc/33/59/69/375335969.db2.gz XONJODUHWAFYMI-NXEZZACHSA-N 2 2 267.304 1.903 20 5 CDBDLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000351864400 375335975 /nfs/dbraw/zinc/33/59/75/375335975.db2.gz XONJODUHWAFYMI-NXEZZACHSA-N 2 2 267.304 1.903 20 5 CDBDLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000131551528 377678454 /nfs/dbraw/zinc/67/84/54/377678454.db2.gz DQWWGTQGLLACAN-BDAKNGLRSA-N 2 2 255.343 1.825 20 5 CDBDLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000131551528 377678456 /nfs/dbraw/zinc/67/84/56/377678456.db2.gz DQWWGTQGLLACAN-BDAKNGLRSA-N 2 2 255.343 1.825 20 5 CDBDLP Cn1cc(C[N@H+](C)CC[NH3+])c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000415105078 391259204 /nfs/dbraw/zinc/25/92/04/391259204.db2.gz HSIKZLZFNUBBLC-UHFFFAOYSA-N 2 2 289.339 1.386 20 5 CDBDLP Cn1cc(C[N@@H+](C)CC[NH3+])c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000415105078 391259208 /nfs/dbraw/zinc/25/92/08/391259208.db2.gz HSIKZLZFNUBBLC-UHFFFAOYSA-N 2 2 289.339 1.386 20 5 CDBDLP [NH3+]C[C@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000430937050 393104755 /nfs/dbraw/zinc/10/47/55/393104755.db2.gz YUPZWIKCSSHAIF-SECBINFHSA-N 2 2 253.277 1.515 20 5 CDBDLP [NH3+]C[C@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000430937050 393104765 /nfs/dbraw/zinc/10/47/65/393104765.db2.gz YUPZWIKCSSHAIF-SECBINFHSA-N 2 2 253.277 1.515 20 5 CDBDLP O=[N+]([O-])c1cccc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000261772089 140387993 /nfs/dbraw/zinc/38/79/93/140387993.db2.gz WENHOCHRTBXNEX-HNNXBMFYSA-N 2 2 290.367 1.074 20 5 CDBDLP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000579494192 324206950 /nfs/dbraw/zinc/20/69/50/324206950.db2.gz GPACXNCDOVQPQY-HIFRSBDPSA-N 2 2 291.351 1.238 20 5 CDBDLP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000579494192 324206953 /nfs/dbraw/zinc/20/69/53/324206953.db2.gz GPACXNCDOVQPQY-HIFRSBDPSA-N 2 2 291.351 1.238 20 5 CDBDLP O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C[C@@H]3CCC[NH2+]C3)nc2c1 ZINC001580875398 1172558757 /nfs/dbraw/zinc/55/87/57/1172558757.db2.gz JYWQKNHQRNNCRY-SNVBAGLBSA-N 2 2 289.339 1.560 20 5 CDBDLP [NH3+]C[C@H]1CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000050248237 711949104 /nfs/dbraw/zinc/94/91/04/711949104.db2.gz HGONAFKPSRVRDK-SECBINFHSA-N 2 2 253.277 1.515 20 5 CDBDLP [NH3+]C[C@H]1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000050248237 711949105 /nfs/dbraw/zinc/94/91/05/711949105.db2.gz HGONAFKPSRVRDK-SECBINFHSA-N 2 2 253.277 1.515 20 5 CDBDLP C[C@@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000886840125 711982642 /nfs/dbraw/zinc/98/26/42/711982642.db2.gz UDAGYMLULVZYCF-PWSUYJOCSA-N 2 2 264.329 1.407 20 5 CDBDLP C[C@@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000886840125 711982646 /nfs/dbraw/zinc/98/26/46/711982646.db2.gz UDAGYMLULVZYCF-PWSUYJOCSA-N 2 2 264.329 1.407 20 5 CDBDLP CCCC[N@H+](C)CC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168968454 927591865 /nfs/dbraw/zinc/59/18/65/927591865.db2.gz ZFOZCPISLYGHMI-OLZOCXBDSA-N 2 2 257.378 1.753 20 5 CDBDLP CCCC[N@@H+](C)CC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168968454 927591877 /nfs/dbraw/zinc/59/18/77/927591877.db2.gz ZFOZCPISLYGHMI-OLZOCXBDSA-N 2 2 257.378 1.753 20 5 CDBDLP O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCOc2cc[nH+]cc2)C1 ZINC001169004588 927607831 /nfs/dbraw/zinc/60/78/31/927607831.db2.gz RFSJIMLZOHPONH-NWDGAFQWSA-N 2 2 265.313 1.495 20 5 CDBDLP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001246857045 948483043 /nfs/dbraw/zinc/48/30/43/948483043.db2.gz ZIRPLBGRLUBDOD-OSAQELSMSA-N 2 2 275.352 1.949 20 5 CDBDLP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001246857045 948483046 /nfs/dbraw/zinc/48/30/46/948483046.db2.gz ZIRPLBGRLUBDOD-OSAQELSMSA-N 2 2 275.352 1.949 20 5 CDBDLP C[NH2+]C[C@@H](C)C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC001325318315 953833708 /nfs/dbraw/zinc/83/37/08/953833708.db2.gz DNUPKGXLKMIWNA-SNVBAGLBSA-N 2 2 295.339 1.311 20 5 CDBDLP C[N@H+](CCC1([NH3+])CCOCC1)Cc1ccccc1[N+](=O)[O-] ZINC001578462242 1171923846 /nfs/dbraw/zinc/92/38/46/1171923846.db2.gz NAKSFKWKXRWUNH-UHFFFAOYSA-N 2 2 293.367 1.925 20 5 CDBDLP C[N@@H+](CCC1([NH3+])CCOCC1)Cc1ccccc1[N+](=O)[O-] ZINC001578462242 1171923855 /nfs/dbraw/zinc/92/38/55/1171923855.db2.gz NAKSFKWKXRWUNH-UHFFFAOYSA-N 2 2 293.367 1.925 20 5 CDBDLP O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000591281611 342624108 /nfs/dbraw/zinc/62/41/08/342624108.db2.gz FFLRYFGDXQLFRM-UARNIUSMSA-N 2 2 279.315 1.898 20 5 CDBDLP C[NH+](C)CCC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602501627 344442725 /nfs/dbraw/zinc/44/27/25/344442725.db2.gz DOFBKWMQADPEBE-UHFFFAOYSA-N 2 2 278.312 1.777 20 5 CDBDLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000129024892 345254133 /nfs/dbraw/zinc/25/41/33/345254133.db2.gz YHSBKPLVYNHXSQ-JOYOIKCWSA-N 2 2 292.339 1.005 20 5 CDBDLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000129024892 345254135 /nfs/dbraw/zinc/25/41/35/345254135.db2.gz YHSBKPLVYNHXSQ-JOYOIKCWSA-N 2 2 292.339 1.005 20 5 CDBDLP COc1ccc(C[NH2+]CC(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC000414810963 241398975 /nfs/dbraw/zinc/39/89/75/241398975.db2.gz YRQVJXIRDXYFKA-UHFFFAOYSA-N 2 2 253.302 1.430 20 5 CDBDLP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCN2C)cc1[N+](=O)[O-] ZINC000423473656 374382850 /nfs/dbraw/zinc/38/28/50/374382850.db2.gz HKWUGOMNAGNCHL-OCCSQVGLSA-N 2 2 292.383 1.457 20 5 CDBDLP O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000494426746 393231897 /nfs/dbraw/zinc/23/18/97/393231897.db2.gz CLRQQLFHWRQHPI-GFCCVEGCSA-N 2 2 272.308 1.896 20 5 CDBDLP CC[N@H+](CCO)CC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449253041 276349387 /nfs/dbraw/zinc/34/93/87/276349387.db2.gz WTLQRXPCJBXSOI-ZDUSSCGKSA-N 2 2 295.383 1.430 20 5 CDBDLP CC[N@@H+](CCO)CC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449253041 276349388 /nfs/dbraw/zinc/34/93/88/276349388.db2.gz WTLQRXPCJBXSOI-ZDUSSCGKSA-N 2 2 295.383 1.430 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422714789 536955508 /nfs/dbraw/zinc/95/55/08/536955508.db2.gz LLKGLGXREDSPEY-VIFPVBQESA-N 2 2 265.313 1.301 20 5 CDBDLP COc1c(O)ccc(C[NH2+][C@H](C)CC[NH+](C)C)c1[N+](=O)[O-] ZINC000892762586 617709766 /nfs/dbraw/zinc/70/97/66/617709766.db2.gz FUMNYBPMNXQUEA-SNVBAGLBSA-N 2 2 297.355 1.739 20 5 CDBDLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923373702 923790765 /nfs/dbraw/zinc/79/07/65/923790765.db2.gz OZRFVHCVRKMPOG-FKGLVLAHSA-N 2 2 293.367 1.604 20 5 CDBDLP C[N@@H+]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)[C@H](C[NH3+])C1 ZINC000843121036 937114183 /nfs/dbraw/zinc/11/41/83/937114183.db2.gz YXDRLVPYVIVFMJ-GFCCVEGCSA-N 2 2 298.774 1.323 20 5 CDBDLP C[N@H+]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)[C@H](C[NH3+])C1 ZINC000843121036 937114184 /nfs/dbraw/zinc/11/41/84/937114184.db2.gz YXDRLVPYVIVFMJ-GFCCVEGCSA-N 2 2 298.774 1.323 20 5 CDBDLP C[C@]1([NH3+])CC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001246533960 931622294 /nfs/dbraw/zinc/62/22/94/931622294.db2.gz FCNVKNGBJSKEHV-KGLIPLIRSA-N 2 2 261.325 1.485 20 5 CDBDLP C[C@]1([NH3+])CC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001246533960 931622296 /nfs/dbraw/zinc/62/22/96/931622296.db2.gz FCNVKNGBJSKEHV-KGLIPLIRSA-N 2 2 261.325 1.485 20 5 CDBDLP O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)c(F)c1 ZINC000591278563 342624181 /nfs/dbraw/zinc/62/41/81/342624181.db2.gz RCUDQWWSYYFIEK-LLVKDONJSA-N 2 2 267.304 1.966 20 5 CDBDLP CC(C)[C@@H]([NH3+])C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000414802279 241396012 /nfs/dbraw/zinc/39/60/12/241396012.db2.gz VKUBYLAJHGQDIK-LBPRGKRZSA-N 2 2 255.293 1.807 20 5 CDBDLP O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415042530 241530949 /nfs/dbraw/zinc/53/09/49/241530949.db2.gz QQELAVNCNCMRPI-LBPRGKRZSA-N 2 2 265.313 1.063 20 5 CDBDLP C[NH2+]CC[N@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000420333270 244098535 /nfs/dbraw/zinc/09/85/35/244098535.db2.gz DAHIFRVPSQKOJF-UHFFFAOYSA-N 2 2 294.355 1.383 20 5 CDBDLP C[NH2+]CC[N@@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000420333270 244098537 /nfs/dbraw/zinc/09/85/37/244098537.db2.gz DAHIFRVPSQKOJF-UHFFFAOYSA-N 2 2 294.355 1.383 20 5 CDBDLP Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000420376672 244170139 /nfs/dbraw/zinc/17/01/39/244170139.db2.gz VJZLMYWUHUDEPU-LLVKDONJSA-N 2 2 281.360 1.326 20 5 CDBDLP CC[NH2+][C@H](C)C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000414956776 371167891 /nfs/dbraw/zinc/16/78/91/371167891.db2.gz NTPKNZJKPAAIJW-LLVKDONJSA-N 2 2 251.330 1.991 20 5 CDBDLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000423011838 374366312 /nfs/dbraw/zinc/36/63/12/374366312.db2.gz JMEWHZSUOWZDEK-FZMZJTMJSA-N 2 2 263.341 1.725 20 5 CDBDLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000423017390 374369188 /nfs/dbraw/zinc/36/91/88/374369188.db2.gz WGORLJXDWQQPMO-GXTWGEPZSA-N 2 2 293.367 1.494 20 5 CDBDLP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000415092525 391257102 /nfs/dbraw/zinc/25/71/02/391257102.db2.gz GIXLNBSLAQWJNI-JSGCOSHPSA-N 2 2 293.367 1.494 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261707759 140379324 /nfs/dbraw/zinc/37/93/24/140379324.db2.gz OYDYZTNRPXDQMA-AAEUAGOBSA-N 2 2 291.351 1.645 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261707759 140379326 /nfs/dbraw/zinc/37/93/26/140379326.db2.gz OYDYZTNRPXDQMA-AAEUAGOBSA-N 2 2 291.351 1.645 20 5 CDBDLP C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])CC(C)(C)C[NH3+] ZINC000093874124 147070153 /nfs/dbraw/zinc/07/01/53/147070153.db2.gz ZYBNNMRBVVIRBR-UHFFFAOYSA-N 2 2 294.355 1.450 20 5 CDBDLP C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])CC(C)(C)C[NH3+] ZINC000093874124 147070155 /nfs/dbraw/zinc/07/01/55/147070155.db2.gz ZYBNNMRBVVIRBR-UHFFFAOYSA-N 2 2 294.355 1.450 20 5 CDBDLP COc1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000044531285 175195649 /nfs/dbraw/zinc/19/56/49/175195649.db2.gz PFHXCJPNDVZDMR-LBPRGKRZSA-N 2 2 279.340 1.774 20 5 CDBDLP COc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000044531285 175195651 /nfs/dbraw/zinc/19/56/51/175195651.db2.gz PFHXCJPNDVZDMR-LBPRGKRZSA-N 2 2 279.340 1.774 20 5 CDBDLP CC(C)[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168972372 927595811 /nfs/dbraw/zinc/59/58/11/927595811.db2.gz MTSHDGDKUCKOEN-AGIUHOORSA-N 2 2 255.362 1.504 20 5 CDBDLP CC(C)[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168972372 927595820 /nfs/dbraw/zinc/59/58/20/927595820.db2.gz MTSHDGDKUCKOEN-AGIUHOORSA-N 2 2 255.362 1.504 20 5 CDBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CC(C)(C[NH3+])C1 ZINC001246596942 932048489 /nfs/dbraw/zinc/04/84/89/932048489.db2.gz KVQLQLSHJVVMRA-LLVKDONJSA-N 2 2 263.341 1.806 20 5 CDBDLP O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CC[NH+]1CCCC1)C2 ZINC001254571260 947531439 /nfs/dbraw/zinc/53/14/39/947531439.db2.gz RJMUZTGSZBWBDS-CQSZACIVSA-N 2 2 275.352 1.747 20 5 CDBDLP C[N@H+](CCC[NH3+])Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000592427543 342694759 /nfs/dbraw/zinc/69/47/59/342694759.db2.gz AUTUEKNOEQEEJN-UHFFFAOYSA-N 2 2 281.312 1.147 20 5 CDBDLP C[N@@H+](CCC[NH3+])Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000592427543 342694760 /nfs/dbraw/zinc/69/47/60/342694760.db2.gz AUTUEKNOEQEEJN-UHFFFAOYSA-N 2 2 281.312 1.147 20 5 CDBDLP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CCC[NH3+] ZINC000592473634 342698458 /nfs/dbraw/zinc/69/84/58/342698458.db2.gz KMSQGQCMSVCABN-SNVBAGLBSA-N 2 2 280.328 1.202 20 5 CDBDLP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)CCC[NH3+] ZINC000592473634 342698459 /nfs/dbraw/zinc/69/84/59/342698459.db2.gz KMSQGQCMSVCABN-SNVBAGLBSA-N 2 2 280.328 1.202 20 5 CDBDLP C[N@@H+]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000573684136 361923445 /nfs/dbraw/zinc/92/34/45/361923445.db2.gz RJRXNXAUGDMOMM-SDQPKGBYSA-N 2 2 290.367 1.183 20 5 CDBDLP C[N@H+]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000573684136 361923447 /nfs/dbraw/zinc/92/34/47/361923447.db2.gz RJRXNXAUGDMOMM-SDQPKGBYSA-N 2 2 290.367 1.183 20 5 CDBDLP C[C@@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000593726447 342829429 /nfs/dbraw/zinc/82/94/29/342829429.db2.gz HZERAIGWLOXVOX-PWSUYJOCSA-N 2 2 279.340 1.717 20 5 CDBDLP C[C@@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000593726447 342829431 /nfs/dbraw/zinc/82/94/31/342829431.db2.gz HZERAIGWLOXVOX-PWSUYJOCSA-N 2 2 279.340 1.717 20 5 CDBDLP C[C@H]([NH3+])[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000128540713 344323212 /nfs/dbraw/zinc/32/32/12/344323212.db2.gz YNCPSOCWSBUYPC-FZMZJTMJSA-N 2 2 279.340 1.185 20 5 CDBDLP C[C@H]([NH3+])[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000128540713 344323216 /nfs/dbraw/zinc/32/32/16/344323216.db2.gz YNCPSOCWSBUYPC-FZMZJTMJSA-N 2 2 279.340 1.185 20 5 CDBDLP COCC[NH2+]CC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000414891884 369308281 /nfs/dbraw/zinc/30/82/81/369308281.db2.gz WLMZQYCVXULYGD-UHFFFAOYSA-N 2 2 267.329 1.229 20 5 CDBDLP Cc1c([C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000330874878 203339626 /nfs/dbraw/zinc/33/96/26/203339626.db2.gz ISLVUCBVCVTNIP-WFASDCNBSA-N 2 2 293.367 1.620 20 5 CDBDLP Cc1c([C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000330874878 203339630 /nfs/dbraw/zinc/33/96/30/203339630.db2.gz ISLVUCBVCVTNIP-WFASDCNBSA-N 2 2 293.367 1.620 20 5 CDBDLP Cc1cc(N[C@H]2CC[NH2+]C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000420136316 374287569 /nfs/dbraw/zinc/28/75/69/374287569.db2.gz JCGIFPLYQZEAKQ-LBPRGKRZSA-N 2 2 299.334 1.556 20 5 CDBDLP C[N@@H+]1CCCC12CC[NH+](CCn1cc([N+](=O)[O-])cn1)CC2 ZINC000370651788 374396762 /nfs/dbraw/zinc/39/67/62/374396762.db2.gz RWEODNMXRIJEGF-UHFFFAOYSA-N 2 2 293.371 1.352 20 5 CDBDLP C[N@H+]1CCCC12CC[NH+](CCn1cc([N+](=O)[O-])cn1)CC2 ZINC000370651788 374396769 /nfs/dbraw/zinc/39/67/69/374396769.db2.gz RWEODNMXRIJEGF-UHFFFAOYSA-N 2 2 293.371 1.352 20 5 CDBDLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283873487 375126395 /nfs/dbraw/zinc/12/63/95/375126395.db2.gz BWZAWSYRWZMXOT-JTQLQIEISA-N 2 2 275.312 1.724 20 5 CDBDLP CC[N@H+](CCO)CC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449253040 391673539 /nfs/dbraw/zinc/67/35/39/391673539.db2.gz WTLQRXPCJBXSOI-CYBMUJFWSA-N 2 2 295.383 1.430 20 5 CDBDLP CC[N@@H+](CCO)CC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449253040 391673543 /nfs/dbraw/zinc/67/35/43/391673543.db2.gz WTLQRXPCJBXSOI-CYBMUJFWSA-N 2 2 295.383 1.430 20 5 CDBDLP Cc1c(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000423079920 392958451 /nfs/dbraw/zinc/95/84/51/392958451.db2.gz RMQTUQGPEBUTTO-GXFFZTMASA-N 2 2 263.341 1.991 20 5 CDBDLP O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261588719 140358246 /nfs/dbraw/zinc/35/82/46/140358246.db2.gz KHTZYKKTBMVUDZ-DGCLKSJQSA-N 2 2 261.325 1.779 20 5 CDBDLP O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261588719 140358247 /nfs/dbraw/zinc/35/82/47/140358247.db2.gz KHTZYKKTBMVUDZ-DGCLKSJQSA-N 2 2 261.325 1.779 20 5 CDBDLP C[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@@H](C[NH3+])C1 ZINC000843122952 677939401 /nfs/dbraw/zinc/93/94/01/677939401.db2.gz XKXAYKVWEAWWBH-NSHDSACASA-N 2 2 298.774 1.323 20 5 CDBDLP C[N@H+]1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@@H](C[NH3+])C1 ZINC000843122952 677939403 /nfs/dbraw/zinc/93/94/03/677939403.db2.gz XKXAYKVWEAWWBH-NSHDSACASA-N 2 2 298.774 1.323 20 5 CDBDLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886832181 678141037 /nfs/dbraw/zinc/14/10/37/678141037.db2.gz CHHUNUSSPMMPOH-VHSXEESVSA-N 2 2 250.302 1.159 20 5 CDBDLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886832181 678141039 /nfs/dbraw/zinc/14/10/39/678141039.db2.gz CHHUNUSSPMMPOH-VHSXEESVSA-N 2 2 250.302 1.159 20 5 CDBDLP C[C@@H]1C[C@@H](C)[N@H+](Cc2cccnc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000886840314 677933835 /nfs/dbraw/zinc/93/38/35/677933835.db2.gz YYIMTHNRWSOBLW-NQBHXWOUSA-N 2 2 278.356 1.795 20 5 CDBDLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cccnc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000886840314 677933839 /nfs/dbraw/zinc/93/38/39/677933839.db2.gz YYIMTHNRWSOBLW-NQBHXWOUSA-N 2 2 278.356 1.795 20 5 CDBDLP C[C@@]12C[NH2+]C[C@@H]1C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC001579473524 1172191680 /nfs/dbraw/zinc/19/16/80/1172191680.db2.gz CISUQKYQGRUXSU-YUELXQCFSA-N 2 2 291.351 1.170 20 5 CDBDLP C[C@@]12C[NH2+]C[C@@H]1C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC001579473524 1172191688 /nfs/dbraw/zinc/19/16/88/1172191688.db2.gz CISUQKYQGRUXSU-YUELXQCFSA-N 2 2 291.351 1.170 20 5 CDBDLP C[N@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CC[NH+](C)CC1 ZINC001169007974 927611623 /nfs/dbraw/zinc/61/16/23/927611623.db2.gz QBZSUBUZSNKNAP-YPMHNXCESA-N 2 2 255.362 1.458 20 5 CDBDLP C[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CC[NH+](C)CC1 ZINC001169007974 927611630 /nfs/dbraw/zinc/61/16/30/927611630.db2.gz QBZSUBUZSNKNAP-YPMHNXCESA-N 2 2 255.362 1.458 20 5 CDBDLP O=[N+]([O-])C[C@@H]1CC[C@@H](n2cc[nH+]c2[C@H]2CCC[NH2+]C2)C1 ZINC001169036001 927643735 /nfs/dbraw/zinc/64/37/35/927643735.db2.gz FAJRFFBOEVWIDS-FRRDWIJNSA-N 2 2 278.356 1.968 20 5 CDBDLP COc1ccc(C[N@H+](C)C2CC([NH3+])C2)cc1[N+](=O)[O-] ZINC000384899770 539068648 /nfs/dbraw/zinc/06/86/48/539068648.db2.gz WHIYDTWBLFLNTK-UHFFFAOYSA-N 2 2 265.313 1.525 20 5 CDBDLP COc1ccc(C[N@@H+](C)C2CC([NH3+])C2)cc1[N+](=O)[O-] ZINC000384899770 539068649 /nfs/dbraw/zinc/06/86/49/539068649.db2.gz WHIYDTWBLFLNTK-UHFFFAOYSA-N 2 2 265.313 1.525 20 5 CDBDLP COc1ccc(C[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000600677281 342241829 /nfs/dbraw/zinc/24/18/29/342241829.db2.gz BXLHXUKTAYNEFV-PWSUYJOCSA-N 2 2 279.340 1.834 20 5 CDBDLP [NH3+]C1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000033439834 359701142 /nfs/dbraw/zinc/70/11/42/359701142.db2.gz LLMFDWMBKSXAFC-UHFFFAOYSA-N 2 2 265.313 1.397 20 5 CDBDLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000422796566 245266783 /nfs/dbraw/zinc/26/67/83/245266783.db2.gz YNBWHKMBYPZLCF-DGCLKSJQSA-N 2 2 263.341 1.725 20 5 CDBDLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000131707055 375323534 /nfs/dbraw/zinc/32/35/34/375323534.db2.gz RLUARGDDCSJJHK-GHMZBOCLSA-N 2 2 292.339 1.202 20 5 CDBDLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000131707055 375323538 /nfs/dbraw/zinc/32/35/38/375323538.db2.gz RLUARGDDCSJJHK-GHMZBOCLSA-N 2 2 292.339 1.202 20 5 CDBDLP O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)n1 ZINC000267421276 190329079 /nfs/dbraw/zinc/32/90/79/190329079.db2.gz KMIRGKNGJXXIAS-NSHDSACASA-N 2 2 290.327 1.394 20 5 CDBDLP O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)n1 ZINC000267421276 190329080 /nfs/dbraw/zinc/32/90/80/190329080.db2.gz KMIRGKNGJXXIAS-NSHDSACASA-N 2 2 290.327 1.394 20 5 CDBDLP C[NH2+]C[C@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000430644394 393102990 /nfs/dbraw/zinc/10/29/90/393102990.db2.gz NGSYPQUURXSGSX-CYBMUJFWSA-N 2 2 293.367 1.905 20 5 CDBDLP C[NH2+]C[C@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000430644394 393103000 /nfs/dbraw/zinc/10/30/00/393103000.db2.gz NGSYPQUURXSGSX-CYBMUJFWSA-N 2 2 293.367 1.905 20 5 CDBDLP O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000261663028 140372066 /nfs/dbraw/zinc/37/20/66/140372066.db2.gz ZIODTONVABTXJE-JSGCOSHPSA-N 2 2 261.325 1.779 20 5 CDBDLP O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000261663028 140372067 /nfs/dbraw/zinc/37/20/67/140372067.db2.gz ZIODTONVABTXJE-JSGCOSHPSA-N 2 2 261.325 1.779 20 5 CDBDLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000423513043 278351999 /nfs/dbraw/zinc/35/19/99/278351999.db2.gz BYFFCISWCBLYRP-MFKMUULPSA-N 2 2 265.313 1.234 20 5 CDBDLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000035275178 524789812 /nfs/dbraw/zinc/78/98/12/524789812.db2.gz YGCKMHBSCDZDCE-LLVKDONJSA-N 2 2 260.297 1.970 20 5 CDBDLP Cc1ccccc1C[NH+]1CCC([NH2+]CC[N+](=O)[O-])CC1 ZINC000899871719 622496726 /nfs/dbraw/zinc/49/67/26/622496726.db2.gz STHOBFIAMIFLDT-UHFFFAOYSA-N 2 2 277.368 1.826 20 5 CDBDLP C[N@H+](CC1CC[NH+](C)CC1)Cn1nccc1[N+](=O)[O-] ZINC000103461904 683170295 /nfs/dbraw/zinc/17/02/95/683170295.db2.gz VMSQVKQAEZFMOP-UHFFFAOYSA-N 2 2 267.333 1.022 20 5 CDBDLP C[N@@H+](CC1CC[NH+](C)CC1)Cn1nccc1[N+](=O)[O-] ZINC000103461904 683170302 /nfs/dbraw/zinc/17/03/02/683170302.db2.gz VMSQVKQAEZFMOP-UHFFFAOYSA-N 2 2 267.333 1.022 20 5 CDBDLP C[NH+](C)C1(CNc2ccc([N+](=O)[O-])cn2)CC[NH+](C)CC1 ZINC001164206740 939430047 /nfs/dbraw/zinc/43/00/47/939430047.db2.gz AQSUYKRNCSRSFN-UHFFFAOYSA-N 2 2 293.371 1.428 20 5 CDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CCC[NH3+] ZINC000592473649 342698511 /nfs/dbraw/zinc/69/85/11/342698511.db2.gz LNOCFHFCJDQASM-UHFFFAOYSA-N 2 2 280.328 1.122 20 5 CDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)CCC[NH3+] ZINC000592473649 342698513 /nfs/dbraw/zinc/69/85/13/342698513.db2.gz LNOCFHFCJDQASM-UHFFFAOYSA-N 2 2 280.328 1.122 20 5 CDBDLP C[C@@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000593902429 342853631 /nfs/dbraw/zinc/85/36/31/342853631.db2.gz SWINMJKILKDOAC-ZWNOBZJWSA-N 2 2 294.355 1.051 20 5 CDBDLP C[N@H+](CCOc1ccccc1[N+](=O)[O-])CC(C)(C)[NH3+] ZINC000595897715 343185788 /nfs/dbraw/zinc/18/57/88/343185788.db2.gz APVIOMMZWQYGKN-UHFFFAOYSA-N 2 2 267.329 1.643 20 5 CDBDLP C[N@@H+](CCOc1ccccc1[N+](=O)[O-])CC(C)(C)[NH3+] ZINC000595897715 343185789 /nfs/dbraw/zinc/18/57/89/343185789.db2.gz APVIOMMZWQYGKN-UHFFFAOYSA-N 2 2 267.329 1.643 20 5 CDBDLP Cc1c(C[NH2+]C2(CO)CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000595902864 343187743 /nfs/dbraw/zinc/18/77/43/343187743.db2.gz VUVHNYKVAZUMKS-UHFFFAOYSA-N 2 2 279.340 1.107 20 5 CDBDLP [NH3+][C@]12CCC[C@@H]1C[N@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC000598680424 343863665 /nfs/dbraw/zinc/86/36/65/343863665.db2.gz BOVXBAYCDVHSNN-OCCSQVGLSA-N 2 2 261.325 1.908 20 5 CDBDLP [NH3+][C@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC000598680424 343863668 /nfs/dbraw/zinc/86/36/68/343863668.db2.gz BOVXBAYCDVHSNN-OCCSQVGLSA-N 2 2 261.325 1.908 20 5 CDBDLP C[N@@H+]1CCC[C@@H]1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000226057745 366138246 /nfs/dbraw/zinc/13/82/46/366138246.db2.gz NOCQCWAHIHGSRU-CQSZACIVSA-N 2 2 263.341 1.821 20 5 CDBDLP C[N@H+]1CCC[C@@H]1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000226057745 366138248 /nfs/dbraw/zinc/13/82/48/366138248.db2.gz NOCQCWAHIHGSRU-CQSZACIVSA-N 2 2 263.341 1.821 20 5 CDBDLP Cn1cnc([N+](=O)[O-])c1C[N@H+](C)CCCn1cc[nH+]c1 ZINC000341162194 373369901 /nfs/dbraw/zinc/36/99/01/373369901.db2.gz NDUPVSIQUWCDKP-UHFFFAOYSA-N 2 2 278.316 1.047 20 5 CDBDLP Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000341162194 373369908 /nfs/dbraw/zinc/36/99/08/373369908.db2.gz NDUPVSIQUWCDKP-UHFFFAOYSA-N 2 2 278.316 1.047 20 5 CDBDLP Cc1c([C@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cccc1[N+](=O)[O-] ZINC000423442153 374381363 /nfs/dbraw/zinc/38/13/63/374381363.db2.gz VATZXFQRCGKRCL-PQFRYHKHSA-N 2 2 261.325 1.772 20 5 CDBDLP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000423480668 374384930 /nfs/dbraw/zinc/38/49/30/374384930.db2.gz PMKACEYROOLHFQ-GJZGRUSLSA-N 2 2 292.383 1.539 20 5 CDBDLP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@H]2CCC[NH2+]C2)n1 ZINC000423189167 285169154 /nfs/dbraw/zinc/16/91/54/285169154.db2.gz MRLYJRRUBZJRKM-YNEHKIRRSA-N 2 2 293.371 1.617 20 5 CDBDLP COc1ccc(C[NH2+]CC2([NH3+])CCC2)cc1[N+](=O)[O-] ZINC000342117660 130274597 /nfs/dbraw/zinc/27/45/97/130274597.db2.gz ZBNFVRSILUVETQ-UHFFFAOYSA-N 2 2 265.313 1.574 20 5 CDBDLP C[C@H]([NH2+]CC1([NH3+])CCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000342131511 130291491 /nfs/dbraw/zinc/29/14/91/130291491.db2.gz IAKZMSAXUVMSGW-JTQLQIEISA-N 2 2 292.339 1.393 20 5 CDBDLP COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000430197879 393091614 /nfs/dbraw/zinc/09/16/14/393091614.db2.gz WRAZBUOGYCNJJU-LBPRGKRZSA-N 2 2 293.367 1.987 20 5 CDBDLP COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000430197879 393091625 /nfs/dbraw/zinc/09/16/25/393091625.db2.gz WRAZBUOGYCNJJU-LBPRGKRZSA-N 2 2 293.367 1.987 20 5 CDBDLP COc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000261598891 140361177 /nfs/dbraw/zinc/36/11/77/140361177.db2.gz BAHGSBPVWGMSNH-CHWSQXEVSA-N 2 2 291.351 1.645 20 5 CDBDLP COc1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000261598891 140361176 /nfs/dbraw/zinc/36/11/76/140361176.db2.gz BAHGSBPVWGMSNH-CHWSQXEVSA-N 2 2 291.351 1.645 20 5 CDBDLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000133889402 278294575 /nfs/dbraw/zinc/29/45/75/278294575.db2.gz JTDKSDUMBGFAJS-GXTWGEPZSA-N 2 2 293.367 1.494 20 5 CDBDLP C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)[NH+](C)C ZINC000447538336 289691229 /nfs/dbraw/zinc/69/12/29/289691229.db2.gz BDYVOEKMMHEUQY-UPJWGTAASA-N 2 2 295.387 1.815 20 5 CDBDLP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC(C)(C[NH3+])C1 ZINC001246588169 948323721 /nfs/dbraw/zinc/32/37/21/948323721.db2.gz KMBQGSJKLLJPDA-NSHDSACASA-N 2 2 263.341 1.806 20 5 CDBDLP Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000602788184 344600288 /nfs/dbraw/zinc/60/02/88/344600288.db2.gz MWNSKOPNZBXMIZ-UHFFFAOYSA-N 2 2 295.387 1.562 20 5 CDBDLP COc1ccc(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000129096439 345261908 /nfs/dbraw/zinc/26/19/08/345261908.db2.gz MQXPEVGDGIJVPV-JQWIXIFHSA-N 2 2 279.340 1.915 20 5 CDBDLP COc1ccc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000129096439 345261912 /nfs/dbraw/zinc/26/19/12/345261912.db2.gz MQXPEVGDGIJVPV-JQWIXIFHSA-N 2 2 279.340 1.915 20 5 CDBDLP O=[N+]([O-])c1cnn(CC[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000584354026 366388599 /nfs/dbraw/zinc/38/85/99/366388599.db2.gz YXTFYBKHCYBKFT-UONOGXRCSA-N 2 2 293.371 1.398 20 5 CDBDLP O=[N+]([O-])c1cnn(CC[N@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000584354026 366388602 /nfs/dbraw/zinc/38/86/02/366388602.db2.gz YXTFYBKHCYBKFT-UONOGXRCSA-N 2 2 293.371 1.398 20 5 CDBDLP C[NH2+]CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000414856463 370876759 /nfs/dbraw/zinc/87/67/59/370876759.db2.gz AIISZCAZFOODSK-UHFFFAOYSA-N 2 2 257.721 1.947 20 5 CDBDLP Cc1c([C@H](C)[NH2+]C[C@H]2C[NH2+]CCN2C)cccc1[N+](=O)[O-] ZINC000423502771 374384826 /nfs/dbraw/zinc/38/48/26/374384826.db2.gz FIWQFWVJZCOYKC-QWHCGFSZSA-N 2 2 292.383 1.457 20 5 CDBDLP Cc1c([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCN2C)cccc1[N+](=O)[O-] ZINC000423502770 374386088 /nfs/dbraw/zinc/38/60/88/374386088.db2.gz FIWQFWVJZCOYKC-OLZOCXBDSA-N 2 2 292.383 1.457 20 5 CDBDLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000163233368 390179172 /nfs/dbraw/zinc/17/91/72/390179172.db2.gz KRLDFLWPOBXKJD-NXEZZACHSA-N 2 2 267.304 1.903 20 5 CDBDLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000163233368 390179176 /nfs/dbraw/zinc/17/91/76/390179176.db2.gz KRLDFLWPOBXKJD-NXEZZACHSA-N 2 2 267.304 1.903 20 5 CDBDLP O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2C[NH2+]CCO2)c(Cl)c1 ZINC000415093665 391016220 /nfs/dbraw/zinc/01/62/20/391016220.db2.gz IGFRXJFMJOGDCK-NSHDSACASA-N 2 2 285.731 1.326 20 5 CDBDLP C[N@H+](CCCn1cc[nH+]c1)CCn1cc([N+](=O)[O-])cn1 ZINC000124369164 393129895 /nfs/dbraw/zinc/12/98/95/393129895.db2.gz QTSTUBJGOJDONJ-UHFFFAOYSA-N 2 2 278.316 1.010 20 5 CDBDLP [NH3+]C[C@@H]1CCCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000044559189 175204154 /nfs/dbraw/zinc/20/41/54/175204154.db2.gz IPANBCNFLYQPRE-AWEZNQCLSA-N 2 2 263.341 1.951 20 5 CDBDLP [NH3+]C[C@@H]1CCCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000044559189 175204155 /nfs/dbraw/zinc/20/41/55/175204155.db2.gz IPANBCNFLYQPRE-AWEZNQCLSA-N 2 2 263.341 1.951 20 5 CDBDLP C[C@]1(C[NH2+]CC[N+](=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000905243554 626700494 /nfs/dbraw/zinc/70/04/94/626700494.db2.gz JZZWZAFWUUVYBH-OAHLLOKOSA-N 2 2 277.368 1.765 20 5 CDBDLP C[C@]1(C[NH2+]CC[N+](=O)[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC000905243554 626700497 /nfs/dbraw/zinc/70/04/97/626700497.db2.gz JZZWZAFWUUVYBH-OAHLLOKOSA-N 2 2 277.368 1.765 20 5 CDBDLP C[C@@H]([NH3+])C[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000863568216 723065541 /nfs/dbraw/zinc/06/55/41/723065541.db2.gz INMYZHFSKQWMEF-SNVBAGLBSA-N 2 2 253.302 1.253 20 5 CDBDLP C[C@@H]([NH3+])C[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000863568216 723065544 /nfs/dbraw/zinc/06/55/44/723065544.db2.gz INMYZHFSKQWMEF-SNVBAGLBSA-N 2 2 253.302 1.253 20 5 CDBDLP C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](C[NH3+])C1CC1 ZINC000923359146 723255170 /nfs/dbraw/zinc/25/51/70/723255170.db2.gz OBOFEXRTUUUQBU-UONOGXRCSA-N 2 2 279.340 1.297 20 5 CDBDLP C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](C[NH3+])C1CC1 ZINC000923359146 723255173 /nfs/dbraw/zinc/25/51/73/723255173.db2.gz OBOFEXRTUUUQBU-UONOGXRCSA-N 2 2 279.340 1.297 20 5 CDBDLP O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CC[NH+]2CCCCCC2)C1 ZINC001168968130 927591139 /nfs/dbraw/zinc/59/11/39/927591139.db2.gz WKIIKBRFVFDUAI-KGLIPLIRSA-N 2 2 269.389 1.897 20 5 CDBDLP C[NH2+][C@@H]1CCN1c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001156660963 928898028 /nfs/dbraw/zinc/89/80/28/928898028.db2.gz VWXLLIDKNPWDKY-FUEXJSSKSA-N 2 2 277.328 1.278 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000107573331 349706632 /nfs/dbraw/zinc/70/66/32/349706632.db2.gz UCPLBNBAXTWASQ-VXGBXAGGSA-N 2 2 277.324 1.255 20 5 CDBDLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000596107157 343228863 /nfs/dbraw/zinc/22/88/63/343228863.db2.gz SBBKRTUUHLWEGW-QWRGUYRKSA-N 2 2 294.355 1.509 20 5 CDBDLP O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000599018158 343945233 /nfs/dbraw/zinc/94/52/33/343945233.db2.gz FPWICDJQEHTGLD-MFBWXBCUSA-N 2 2 291.351 1.264 20 5 CDBDLP O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000599018158 343945236 /nfs/dbraw/zinc/94/52/36/343945236.db2.gz FPWICDJQEHTGLD-MFBWXBCUSA-N 2 2 291.351 1.264 20 5 CDBDLP O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000112839626 366159092 /nfs/dbraw/zinc/15/90/92/366159092.db2.gz IFQSMYHTDFJCBU-HUUCEWRRSA-N 2 2 291.351 1.548 20 5 CDBDLP C[NH+]1CCC([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000037562708 369079661 /nfs/dbraw/zinc/07/96/61/369079661.db2.gz YDCVYHZJPZKGDK-UHFFFAOYSA-N 2 2 255.343 1.840 20 5 CDBDLP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000266869218 190285657 /nfs/dbraw/zinc/28/56/57/190285657.db2.gz MSDKNKCMPQIAKX-SWLSCSKDSA-N 2 2 293.367 1.702 20 5 CDBDLP COc1ccc(C[NH2+][C@@H]2CC[NH2+]C2(C)C)cc1[N+](=O)[O-] ZINC000415030894 391247060 /nfs/dbraw/zinc/24/70/60/391247060.db2.gz DBJKPCPWLZXFPP-CYBMUJFWSA-N 2 2 279.340 1.834 20 5 CDBDLP C[C@H](C[NH3+])[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000430941048 393106869 /nfs/dbraw/zinc/10/68/69/393106869.db2.gz TXCYUZMJINERSR-SNVBAGLBSA-N 2 2 253.302 1.253 20 5 CDBDLP C[C@H](C[NH3+])[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000430941048 393106878 /nfs/dbraw/zinc/10/68/78/393106878.db2.gz TXCYUZMJINERSR-SNVBAGLBSA-N 2 2 253.302 1.253 20 5 CDBDLP C[C@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[C@@H]1[NH3+] ZINC000430946809 393107457 /nfs/dbraw/zinc/10/74/57/393107457.db2.gz YBXPLCXQMPVOFD-ONGXEEELSA-N 2 2 290.323 1.905 20 5 CDBDLP C[C@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[C@@H]1[NH3+] ZINC000430946809 393107462 /nfs/dbraw/zinc/10/74/62/393107462.db2.gz YBXPLCXQMPVOFD-ONGXEEELSA-N 2 2 290.323 1.905 20 5 CDBDLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332184706 277061881 /nfs/dbraw/zinc/06/18/81/277061881.db2.gz XNMQIPSBSDYCOA-CYBMUJFWSA-N 2 2 290.367 1.832 20 5 CDBDLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332184706 277061882 /nfs/dbraw/zinc/06/18/82/277061882.db2.gz XNMQIPSBSDYCOA-CYBMUJFWSA-N 2 2 290.367 1.832 20 5 CDBDLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332184706 277061883 /nfs/dbraw/zinc/06/18/83/277061883.db2.gz XNMQIPSBSDYCOA-CYBMUJFWSA-N 2 2 290.367 1.832 20 5 CDBDLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332184706 277061884 /nfs/dbraw/zinc/06/18/84/277061884.db2.gz XNMQIPSBSDYCOA-CYBMUJFWSA-N 2 2 290.367 1.832 20 5 CDBDLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000570354185 294222998 /nfs/dbraw/zinc/22/29/98/294222998.db2.gz VJFMKYGYXBXGFH-JSGCOSHPSA-N 2 2 295.383 1.866 20 5 CDBDLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000570354185 294223000 /nfs/dbraw/zinc/22/30/00/294223000.db2.gz VJFMKYGYXBXGFH-JSGCOSHPSA-N 2 2 295.383 1.866 20 5 CDBDLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000579580819 324221846 /nfs/dbraw/zinc/22/18/46/324221846.db2.gz MYMWKTWHTXKUCZ-SMDDNHRTSA-N 2 2 279.340 1.561 20 5 CDBDLP COc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000227074383 524036682 /nfs/dbraw/zinc/03/66/82/524036682.db2.gz GCILFOASLOFDHN-CMPLNLGQSA-N 2 2 279.340 1.773 20 5 CDBDLP COc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000227074383 524036684 /nfs/dbraw/zinc/03/66/84/524036684.db2.gz GCILFOASLOFDHN-CMPLNLGQSA-N 2 2 279.340 1.773 20 5 CDBDLP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000883442045 695701137 /nfs/dbraw/zinc/70/11/37/695701137.db2.gz DDEJZJDGWMFWIW-VXGBXAGGSA-N 2 2 267.304 1.949 20 5 CDBDLP C[C@@H]([NH2+]C[C@@]1(O)CCC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC001574098992 1170880436 /nfs/dbraw/zinc/88/04/36/1170880436.db2.gz PAXUVEMTHNXLRP-BXUZGUMPSA-N 2 2 279.340 1.360 20 5 CDBDLP C[C@H](C[NH3+])[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000843349983 723764970 /nfs/dbraw/zinc/76/49/70/723764970.db2.gz BKJDLDOWOIIRJT-SECBINFHSA-N 2 2 298.318 1.342 20 5 CDBDLP C[C@H](C[NH3+])[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000843349983 723764971 /nfs/dbraw/zinc/76/49/71/723764971.db2.gz BKJDLDOWOIIRJT-SECBINFHSA-N 2 2 298.318 1.342 20 5 CDBDLP [NH3+]CC[N@H+](Cc1ccccc1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168956635 927576656 /nfs/dbraw/zinc/57/66/56/927576656.db2.gz CBZLWWZQJURPFT-CABCVRRESA-N 2 2 277.368 1.893 20 5 CDBDLP [NH3+]CC[N@@H+](Cc1ccccc1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168956635 927576666 /nfs/dbraw/zinc/57/66/66/927576666.db2.gz CBZLWWZQJURPFT-CABCVRRESA-N 2 2 277.368 1.893 20 5 CDBDLP O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC001168996578 927602562 /nfs/dbraw/zinc/60/25/62/927602562.db2.gz WHYYEUHEHSRWQM-MCIONIFRSA-N 2 2 267.373 1.506 20 5 CDBDLP O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC001168996578 927602568 /nfs/dbraw/zinc/60/25/68/927602568.db2.gz WHYYEUHEHSRWQM-MCIONIFRSA-N 2 2 267.373 1.506 20 5 CDBDLP CC[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C1CC[NH+](C)CC1 ZINC001169029090 927636072 /nfs/dbraw/zinc/63/60/72/927636072.db2.gz UGTUMJIHCIWKSY-GXTWGEPZSA-N 2 2 269.389 1.848 20 5 CDBDLP CC[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C1CC[NH+](C)CC1 ZINC001169029090 927636078 /nfs/dbraw/zinc/63/60/78/927636078.db2.gz UGTUMJIHCIWKSY-GXTWGEPZSA-N 2 2 269.389 1.848 20 5 CDBDLP Cc1[nH+]c2c(n1-c1ncc([N+](=O)[O-])cc1C)CC[NH2+]CC2 ZINC001165351293 939549888 /nfs/dbraw/zinc/54/98/88/939549888.db2.gz BBKDHCVHDYQECH-UHFFFAOYSA-N 2 2 287.323 1.481 20 5 CDBDLP C[NH2+][C@H](C)CC[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC001328677362 955411477 /nfs/dbraw/zinc/41/14/77/955411477.db2.gz LIIQDODPAYIGOG-SNVBAGLBSA-N 2 2 295.339 1.454 20 5 CDBDLP O=[N+]([O-])c1ccn(CC[NH+]2CCC(n3cc[nH+]c3)CC2)n1 ZINC000176238378 358745857 /nfs/dbraw/zinc/74/58/57/358745857.db2.gz ZJPWWLXRWGRXLJ-UHFFFAOYSA-N 2 2 290.327 1.325 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000168628003 364031327 /nfs/dbraw/zinc/03/13/27/364031327.db2.gz ZDSSAJHIAAOYEV-QWRGUYRKSA-N 2 2 279.340 1.773 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000168628003 364031331 /nfs/dbraw/zinc/03/13/31/364031331.db2.gz ZDSSAJHIAAOYEV-QWRGUYRKSA-N 2 2 279.340 1.773 20 5 CDBDLP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000420369974 244159283 /nfs/dbraw/zinc/15/92/83/244159283.db2.gz VNWYRIBKZHJACV-LBPRGKRZSA-N 2 2 294.355 1.157 20 5 CDBDLP CC[NH2+]CC[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000414830499 370451117 /nfs/dbraw/zinc/45/11/17/370451117.db2.gz OEPCZBWHNXUQIT-LLVKDONJSA-N 2 2 294.355 1.511 20 5 CDBDLP C[C@@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000414958354 371171224 /nfs/dbraw/zinc/17/12/24/371171224.db2.gz WPWJIIVUJKFVQG-SCZZXKLOSA-N 2 2 255.343 1.886 20 5 CDBDLP C[C@@H](C[NH+](C)C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000168801551 371610881 /nfs/dbraw/zinc/61/08/81/371610881.db2.gz RGKVMIFVKQRTGQ-NSHDSACASA-N 2 2 251.330 1.677 20 5 CDBDLP CC[C@@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1cccc([N+](=O)[O-])c1 ZINC000423523856 374388423 /nfs/dbraw/zinc/38/84/23/374388423.db2.gz NUJZHNCRLJXNHQ-ZIAGYGMSSA-N 2 2 279.340 1.624 20 5 CDBDLP [NH3+]C[C@@H]1C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCCO1 ZINC000415116538 391259972 /nfs/dbraw/zinc/25/99/72/391259972.db2.gz VYKILSYZPBDJGP-JHAQOBCDSA-N 2 2 291.351 1.658 20 5 CDBDLP [NH3+]C[C@@H]1C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCCO1 ZINC000415116538 391259975 /nfs/dbraw/zinc/25/99/75/391259975.db2.gz VYKILSYZPBDJGP-JHAQOBCDSA-N 2 2 291.351 1.658 20 5 CDBDLP CC(C)c1ccc(C[N@H+](C)C[C@@H](O)C[NH3+])cc1[N+](=O)[O-] ZINC000415053768 391253287 /nfs/dbraw/zinc/25/32/87/391253287.db2.gz KPAPSDUXTNWXQZ-LBPRGKRZSA-N 2 2 281.356 1.470 20 5 CDBDLP CC(C)c1ccc(C[N@@H+](C)C[C@@H](O)C[NH3+])cc1[N+](=O)[O-] ZINC000415053768 391253290 /nfs/dbraw/zinc/25/32/90/391253290.db2.gz KPAPSDUXTNWXQZ-LBPRGKRZSA-N 2 2 281.356 1.470 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000129145871 391637115 /nfs/dbraw/zinc/63/71/15/391637115.db2.gz XFUISRLVXLLZQS-ZYHUDNBSSA-N 2 2 279.340 1.915 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000129145871 391637119 /nfs/dbraw/zinc/63/71/19/391637119.db2.gz XFUISRLVXLLZQS-ZYHUDNBSSA-N 2 2 279.340 1.915 20 5 CDBDLP CC[C@@H]([NH2+]CC[NH2+]CCOC)c1cccc([N+](=O)[O-])c1 ZINC000423314436 392959997 /nfs/dbraw/zinc/95/99/97/392959997.db2.gz HERXCWSUJKCCBY-CQSZACIVSA-N 2 2 281.356 1.872 20 5 CDBDLP COc1ccc(C[N@@H+]2CCCO[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000313331458 260284349 /nfs/dbraw/zinc/28/43/49/260284349.db2.gz BQGGRUUKZUTMMW-GFCCVEGCSA-N 2 2 295.339 1.153 20 5 CDBDLP COc1ccc(C[N@H+]2CCCO[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000313331458 260284351 /nfs/dbraw/zinc/28/43/51/260284351.db2.gz BQGGRUUKZUTMMW-GFCCVEGCSA-N 2 2 295.339 1.153 20 5 CDBDLP O=[N+]([O-])CC[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000905070757 626616367 /nfs/dbraw/zinc/61/63/67/626616367.db2.gz MJHYEDFGOCOOEI-OAHLLOKOSA-N 2 2 277.368 1.765 20 5 CDBDLP O=[N+]([O-])CC[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000905070757 626616369 /nfs/dbraw/zinc/61/63/69/626616369.db2.gz MJHYEDFGOCOOEI-OAHLLOKOSA-N 2 2 277.368 1.765 20 5 CDBDLP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886832182 726856566 /nfs/dbraw/zinc/85/65/66/726856566.db2.gz CHHUNUSSPMMPOH-ZJUUUORDSA-N 2 2 250.302 1.159 20 5 CDBDLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886832182 726856567 /nfs/dbraw/zinc/85/65/67/726856567.db2.gz CHHUNUSSPMMPOH-ZJUUUORDSA-N 2 2 250.302 1.159 20 5 CDBDLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000925596658 726983548 /nfs/dbraw/zinc/98/35/48/726983548.db2.gz KSPGGWLGQNESFH-BXUZGUMPSA-N 2 2 279.340 1.704 20 5 CDBDLP C[N@H+](CCCn1cc[nH+]c1)Cc1cccnc1[N+](=O)[O-] ZINC000886093879 727392821 /nfs/dbraw/zinc/39/28/21/727392821.db2.gz JDTLOIWQCLUGDL-UHFFFAOYSA-N 2 2 275.312 1.708 20 5 CDBDLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cccnc1[N+](=O)[O-] ZINC000886093879 727392822 /nfs/dbraw/zinc/39/28/22/727392822.db2.gz JDTLOIWQCLUGDL-UHFFFAOYSA-N 2 2 275.312 1.708 20 5 CDBDLP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC001173217753 912301644 /nfs/dbraw/zinc/30/16/44/912301644.db2.gz LXFOXTJBZRIUBQ-WCQYABFASA-N 2 2 263.341 1.949 20 5 CDBDLP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H]([NH3+])C1 ZINC001173217753 912301656 /nfs/dbraw/zinc/30/16/56/912301656.db2.gz LXFOXTJBZRIUBQ-WCQYABFASA-N 2 2 263.341 1.949 20 5 CDBDLP Cc1[nH+]c2c(n1-c1cc([N+](=O)[O-])ccn1)CC[NH2+]CC2 ZINC001165352130 939549898 /nfs/dbraw/zinc/54/98/98/939549898.db2.gz QARWXGQVFJGJSF-UHFFFAOYSA-N 2 2 273.296 1.172 20 5 CDBDLP C[C@@H]1CC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@@H]1[NH3+] ZINC001246570692 948292196 /nfs/dbraw/zinc/29/21/96/948292196.db2.gz SIJJPMYUQDAPTM-ONERCXAPSA-N 2 2 275.352 1.731 20 5 CDBDLP C[C@@H]1CC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@@H]1[NH3+] ZINC001246570692 948292204 /nfs/dbraw/zinc/29/22/04/948292204.db2.gz SIJJPMYUQDAPTM-ONERCXAPSA-N 2 2 275.352 1.731 20 5 CDBDLP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001246857044 948482854 /nfs/dbraw/zinc/48/28/54/948482854.db2.gz ZIRPLBGRLUBDOD-KYOSRNDESA-N 2 2 275.352 1.949 20 5 CDBDLP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001246857044 948482857 /nfs/dbraw/zinc/48/28/57/948482857.db2.gz ZIRPLBGRLUBDOD-KYOSRNDESA-N 2 2 275.352 1.949 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000603429335 344802341 /nfs/dbraw/zinc/80/23/41/344802341.db2.gz NNJDEEGZHBWMPB-OLZOCXBDSA-N 2 2 279.340 1.819 20 5 CDBDLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000129025322 345253908 /nfs/dbraw/zinc/25/39/08/345253908.db2.gz YHSBKPLVYNHXSQ-CABZTGNLSA-N 2 2 292.339 1.005 20 5 CDBDLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000129025322 345253911 /nfs/dbraw/zinc/25/39/11/345253911.db2.gz YHSBKPLVYNHXSQ-CABZTGNLSA-N 2 2 292.339 1.005 20 5 CDBDLP Cc1c([C@H](C)[NH2+]C[C@H]2C[NH2+]CCO2)cccc1[N+](=O)[O-] ZINC000423531723 374387441 /nfs/dbraw/zinc/38/74/41/374387441.db2.gz YOGNKLSCOWBVQP-NWDGAFQWSA-N 2 2 279.340 1.542 20 5 CDBDLP O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000037894576 374956173 /nfs/dbraw/zinc/95/61/73/374956173.db2.gz IEYAXOITUDCWPS-CQSZACIVSA-N 2 2 279.340 1.141 20 5 CDBDLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000351864401 375336440 /nfs/dbraw/zinc/33/64/40/375336440.db2.gz XONJODUHWAFYMI-UWVGGRQHSA-N 2 2 267.304 1.903 20 5 CDBDLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000351864401 375336447 /nfs/dbraw/zinc/33/64/47/375336447.db2.gz XONJODUHWAFYMI-UWVGGRQHSA-N 2 2 267.304 1.903 20 5 CDBDLP C[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000289312500 197293372 /nfs/dbraw/zinc/29/33/72/197293372.db2.gz FDQZDDXJNJIVKM-NHYWBVRUSA-N 2 2 293.367 1.701 20 5 CDBDLP C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000289312500 197293373 /nfs/dbraw/zinc/29/33/73/197293373.db2.gz FDQZDDXJNJIVKM-NHYWBVRUSA-N 2 2 293.367 1.701 20 5 CDBDLP O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+][C@H]2CCC[NH2+]C2)n1 ZINC000423303856 285168911 /nfs/dbraw/zinc/16/89/11/285168911.db2.gz MRLYJRRUBZJRKM-AVGNSLFASA-N 2 2 293.371 1.617 20 5 CDBDLP O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)c(Cl)c1 ZINC000415032117 391248119 /nfs/dbraw/zinc/24/81/19/391248119.db2.gz FNVNYVWGSJFYHJ-LBPRGKRZSA-N 2 2 299.758 1.716 20 5 CDBDLP COCC[NH2+]CC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423331609 392961677 /nfs/dbraw/zinc/96/16/77/392961677.db2.gz MRDWZKJHJYWCOS-HNNXBMFYSA-N 2 2 293.367 1.798 20 5 CDBDLP Cc1c(C[NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000231883687 140219871 /nfs/dbraw/zinc/21/98/71/140219871.db2.gz OANGXKBOXUCOTM-SMDDNHRTSA-N 2 2 293.367 1.760 20 5 CDBDLP O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000261645390 140368772 /nfs/dbraw/zinc/36/87/72/140368772.db2.gz XLIFMEIBVVVNET-AWEZNQCLSA-N 2 2 261.325 1.780 20 5 CDBDLP O=[N+]([O-])c1cccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000261645390 140368773 /nfs/dbraw/zinc/36/87/73/140368773.db2.gz XLIFMEIBVVVNET-AWEZNQCLSA-N 2 2 261.325 1.780 20 5 CDBDLP [NH3+]CC[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000342439181 151835223 /nfs/dbraw/zinc/83/52/23/151835223.db2.gz UROZPNMLNPUSNG-UHFFFAOYSA-N 2 2 289.339 1.252 20 5 CDBDLP [NH3+]CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000342439181 151835224 /nfs/dbraw/zinc/83/52/24/151835224.db2.gz UROZPNMLNPUSNG-UHFFFAOYSA-N 2 2 289.339 1.252 20 5 CDBDLP C[C@H](C[NH3+])[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000430940143 279293215 /nfs/dbraw/zinc/29/32/15/279293215.db2.gz NYYYIGJHCMGGIJ-SNVBAGLBSA-N 2 2 253.302 1.253 20 5 CDBDLP C[C@H](C[NH3+])[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000430940143 279293217 /nfs/dbraw/zinc/29/32/17/279293217.db2.gz NYYYIGJHCMGGIJ-SNVBAGLBSA-N 2 2 253.302 1.253 20 5 CDBDLP O=[N+]([O-])CC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000905145061 626656563 /nfs/dbraw/zinc/65/65/63/626656563.db2.gz IICVXWNMNHKAEM-UHFFFAOYSA-N 2 2 255.362 1.650 20 5 CDBDLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000158612197 1178224667 /nfs/dbraw/zinc/22/46/67/1178224667.db2.gz KEZAMEPIXLHPOM-CABCVRRESA-N 2 2 293.367 1.702 20 5 CDBDLP CC[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000158612197 1178224672 /nfs/dbraw/zinc/22/46/72/1178224672.db2.gz KEZAMEPIXLHPOM-CABCVRRESA-N 2 2 293.367 1.702 20 5 CDBDLP Cc1cc([N+](=O)[O-])cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c1F ZINC001169075718 927694449 /nfs/dbraw/zinc/69/44/49/927694449.db2.gz VZBOVTQLWDDEGH-SECBINFHSA-N 2 2 294.286 1.090 20 5 CDBDLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817981248 930655915 /nfs/dbraw/zinc/65/59/15/930655915.db2.gz HWPPXWBECUGENA-CMPLNLGQSA-N 2 2 294.355 1.206 20 5 CDBDLP Cc1noc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000595344350 343043337 /nfs/dbraw/zinc/04/33/37/343043337.db2.gz CKASDRBKUICNJG-NWDGAFQWSA-N 2 2 294.355 1.807 20 5 CDBDLP Cc1noc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000595344350 343043339 /nfs/dbraw/zinc/04/33/39/343043339.db2.gz CKASDRBKUICNJG-NWDGAFQWSA-N 2 2 294.355 1.807 20 5 CDBDLP Cc1noc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1[N+](=O)[O-] ZINC000595344350 343043340 /nfs/dbraw/zinc/04/33/40/343043340.db2.gz CKASDRBKUICNJG-NWDGAFQWSA-N 2 2 294.355 1.807 20 5 CDBDLP Cc1noc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1[N+](=O)[O-] ZINC000595344350 343043343 /nfs/dbraw/zinc/04/33/43/343043343.db2.gz CKASDRBKUICNJG-NWDGAFQWSA-N 2 2 294.355 1.807 20 5 CDBDLP Cc1c([C@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000330874877 203338862 /nfs/dbraw/zinc/33/88/62/203338862.db2.gz ISLVUCBVCVTNIP-SWLSCSKDSA-N 2 2 293.367 1.620 20 5 CDBDLP Cc1c([C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000330874877 203338865 /nfs/dbraw/zinc/33/88/65/203338865.db2.gz ISLVUCBVCVTNIP-SWLSCSKDSA-N 2 2 293.367 1.620 20 5 CDBDLP CC[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1cccc([N+](=O)[O-])c1 ZINC000423523853 374388999 /nfs/dbraw/zinc/38/89/99/374388999.db2.gz NUJZHNCRLJXNHQ-KGLIPLIRSA-N 2 2 279.340 1.624 20 5 CDBDLP COCC[NH2+]CC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000423321183 392960104 /nfs/dbraw/zinc/96/01/04/392960104.db2.gz MXLSWZCJICYLMA-LBPRGKRZSA-N 2 2 281.356 1.790 20 5 CDBDLP C[C@@](C[NH3+])([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000430571161 393100770 /nfs/dbraw/zinc/10/07/70/393100770.db2.gz NUKCNCSEPHMDMV-AWEZNQCLSA-N 2 2 292.339 1.250 20 5 CDBDLP [NH3+]C[C@H]1CCCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000430648973 393104251 /nfs/dbraw/zinc/10/42/51/393104251.db2.gz ROCYKDMDDZCGPW-CYBMUJFWSA-N 2 2 279.340 1.787 20 5 CDBDLP [NH3+]C[C@H]1CCCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000430648973 393104263 /nfs/dbraw/zinc/10/42/63/393104263.db2.gz ROCYKDMDDZCGPW-CYBMUJFWSA-N 2 2 279.340 1.787 20 5 CDBDLP C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CC[C@@H]1[NH3+] ZINC000261575804 140353793 /nfs/dbraw/zinc/35/37/93/140353793.db2.gz BTQICWUOBJQIEB-ZANVPECISA-N 2 2 267.304 1.903 20 5 CDBDLP C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CC[C@@H]1[NH3+] ZINC000261575804 140353794 /nfs/dbraw/zinc/35/37/94/140353794.db2.gz BTQICWUOBJQIEB-ZANVPECISA-N 2 2 267.304 1.903 20 5 CDBDLP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000579494193 324206320 /nfs/dbraw/zinc/20/63/20/324206320.db2.gz GPACXNCDOVQPQY-UKRRQHHQSA-N 2 2 291.351 1.238 20 5 CDBDLP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000579494193 324206324 /nfs/dbraw/zinc/20/63/24/324206324.db2.gz GPACXNCDOVQPQY-UKRRQHHQSA-N 2 2 291.351 1.238 20 5 CDBDLP [NH3+]C1CC([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000906509286 627297821 /nfs/dbraw/zinc/29/78/21/627297821.db2.gz FQJRHSMXLUVOMM-UHFFFAOYSA-N 2 2 255.705 1.828 20 5 CDBDLP O=[N+]([O-])CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000930060171 632510085 /nfs/dbraw/zinc/51/00/85/632510085.db2.gz GMICSHJNTAXTGO-WCQYABFASA-N 2 2 253.346 1.212 20 5 CDBDLP O=[N+]([O-])CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000930060171 632510092 /nfs/dbraw/zinc/51/00/92/632510092.db2.gz GMICSHJNTAXTGO-WCQYABFASA-N 2 2 253.346 1.212 20 5 CDBDLP O=[N+]([O-])CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000930060171 632510123 /nfs/dbraw/zinc/51/01/23/632510123.db2.gz GMICSHJNTAXTGO-WCQYABFASA-N 2 2 253.346 1.212 20 5 CDBDLP O=[N+]([O-])CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000930060171 632510136 /nfs/dbraw/zinc/51/01/36/632510136.db2.gz GMICSHJNTAXTGO-WCQYABFASA-N 2 2 253.346 1.212 20 5 CDBDLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000925596659 730448682 /nfs/dbraw/zinc/44/86/82/730448682.db2.gz KSPGGWLGQNESFH-FZMZJTMJSA-N 2 2 279.340 1.704 20 5 CDBDLP O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@H]1C[NH2+]CC13CC3)C2 ZINC001246127890 947974367 /nfs/dbraw/zinc/97/43/67/947974367.db2.gz CKLMLFHWAGFFLB-OCCSQVGLSA-N 2 2 273.336 1.404 20 5 CDBDLP C[NH2+][C@@H](C)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC001348514156 966035011 /nfs/dbraw/zinc/03/50/11/966035011.db2.gz BMIBYCJYOFBUMG-VIFPVBQESA-N 2 2 255.293 1.822 20 5 CDBDLP O=[N+]([O-])c1ccccc1N1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000592475969 342698803 /nfs/dbraw/zinc/69/88/03/342698803.db2.gz XIQVLHYXDSQQQZ-ZDUSSCGKSA-N 2 2 290.367 1.326 20 5 CDBDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000534581372 282201380 /nfs/dbraw/zinc/20/13/80/282201380.db2.gz IEMKWSIDXXNPGV-LLVKDONJSA-N 2 2 290.327 1.014 20 5 CDBDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000534581372 282201382 /nfs/dbraw/zinc/20/13/82/282201382.db2.gz IEMKWSIDXXNPGV-LLVKDONJSA-N 2 2 290.327 1.014 20 5 CDBDLP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC[NH+](C)C ZINC000337992809 358657030 /nfs/dbraw/zinc/65/70/30/358657030.db2.gz RCJOYIKUJMRNSQ-LLVKDONJSA-N 2 2 294.355 1.463 20 5 CDBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000414889116 369132292 /nfs/dbraw/zinc/13/22/92/369132292.db2.gz FXMNHZNELAYELJ-CYBMUJFWSA-N 2 2 279.340 1.820 20 5 CDBDLP C[NH+]1CCC([N@H+](CCO)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000303986213 391085214 /nfs/dbraw/zinc/08/52/14/391085214.db2.gz IPZGWNUODRQVSK-UHFFFAOYSA-N 2 2 293.367 1.483 20 5 CDBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313344056 392944813 /nfs/dbraw/zinc/94/48/13/392944813.db2.gz DSKYVRJEMCFFFW-VXGBXAGGSA-N 2 2 279.340 1.705 20 5 CDBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313344056 392944818 /nfs/dbraw/zinc/94/48/18/392944818.db2.gz DSKYVRJEMCFFFW-VXGBXAGGSA-N 2 2 279.340 1.705 20 5 CDBDLP COCC[NH2+]CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423311269 392960691 /nfs/dbraw/zinc/96/06/91/392960691.db2.gz BPUJVLUWZDPXQI-NSHDSACASA-N 2 2 267.329 1.481 20 5 CDBDLP [NH3+]C[C@H]1CCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000430587336 393100413 /nfs/dbraw/zinc/10/04/13/393100413.db2.gz VPYOQBXEJGGTLK-GFCCVEGCSA-N 2 2 265.313 1.397 20 5 CDBDLP [NH3+]C[C@H]1CCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000430587336 393100416 /nfs/dbraw/zinc/10/04/16/393100416.db2.gz VPYOQBXEJGGTLK-GFCCVEGCSA-N 2 2 265.313 1.397 20 5 CDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H](C)C[NH3+] ZINC000430969448 393107034 /nfs/dbraw/zinc/10/70/34/393107034.db2.gz CYVQLLYISXFTSW-LLVKDONJSA-N 2 2 294.355 1.511 20 5 CDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@H](C)C[NH3+] ZINC000430969448 393107042 /nfs/dbraw/zinc/10/70/42/393107042.db2.gz CYVQLLYISXFTSW-LLVKDONJSA-N 2 2 294.355 1.511 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261799114 140389974 /nfs/dbraw/zinc/38/99/74/140389974.db2.gz YNYLRVLOOKIGBX-HNNXBMFYSA-N 2 2 291.351 1.789 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261799114 140389977 /nfs/dbraw/zinc/38/99/77/140389977.db2.gz YNYLRVLOOKIGBX-HNNXBMFYSA-N 2 2 291.351 1.789 20 5 CDBDLP C[NH+](C)CCCC1CC[NH+](Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000160024867 734491889 /nfs/dbraw/zinc/49/18/89/734491889.db2.gz SNZKSZJEMQLRMU-UHFFFAOYSA-N 2 2 295.387 1.803 20 5 CDBDLP O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000923330993 734574465 /nfs/dbraw/zinc/57/44/65/734574465.db2.gz GJRYQRNBAMCWOL-CABCVRRESA-N 2 2 291.351 1.314 20 5 CDBDLP O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000923330993 734574472 /nfs/dbraw/zinc/57/44/72/734574472.db2.gz GJRYQRNBAMCWOL-CABCVRRESA-N 2 2 291.351 1.314 20 5 CDBDLP CC[NH+]1CCC([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000818941136 735053754 /nfs/dbraw/zinc/05/37/54/735053754.db2.gz PCZCHDLVLBPURJ-OAHLLOKOSA-N 2 2 293.367 1.702 20 5 CDBDLP C[C@H](C[NH+]1CCCC1)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168968164 927592367 /nfs/dbraw/zinc/59/23/67/927592367.db2.gz XBLQZJSKCZAICP-UPJWGTAASA-N 2 2 255.362 1.506 20 5 CDBDLP Cc1[nH+]c2c(n1-c1cccc([N+](=O)[O-])n1)CC[NH2+]CC2 ZINC001165352361 939549890 /nfs/dbraw/zinc/54/98/90/939549890.db2.gz QZQNHCYFROARET-UHFFFAOYSA-N 2 2 273.296 1.172 20 5 CDBDLP [NH3+][C@]12CCC[C@H]1C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C2 ZINC000598682044 343864200 /nfs/dbraw/zinc/86/42/00/343864200.db2.gz KXTCYEBMRPEAFI-WFASDCNBSA-N 2 2 291.351 1.787 20 5 CDBDLP [NH3+][C@]12CCC[C@H]1C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C2 ZINC000598682044 343864202 /nfs/dbraw/zinc/86/42/02/343864202.db2.gz KXTCYEBMRPEAFI-WFASDCNBSA-N 2 2 291.351 1.787 20 5 CDBDLP [NH3+][C@@]12CCC[C@H]1C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C2 ZINC000598682043 343864434 /nfs/dbraw/zinc/86/44/34/343864434.db2.gz KXTCYEBMRPEAFI-SWLSCSKDSA-N 2 2 291.351 1.787 20 5 CDBDLP [NH3+][C@@]12CCC[C@H]1C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C2 ZINC000598682043 343864438 /nfs/dbraw/zinc/86/44/38/343864438.db2.gz KXTCYEBMRPEAFI-SWLSCSKDSA-N 2 2 291.351 1.787 20 5 CDBDLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@H]1C ZINC000603435294 344808693 /nfs/dbraw/zinc/80/86/93/344808693.db2.gz XKEZBDAXEIRVIN-GRYCIOLGSA-N 2 2 281.360 1.239 20 5 CDBDLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@H]1C ZINC000603435294 344808695 /nfs/dbraw/zinc/80/86/95/344808695.db2.gz XKEZBDAXEIRVIN-GRYCIOLGSA-N 2 2 281.360 1.239 20 5 CDBDLP C[NH+](C)CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000330708352 203141049 /nfs/dbraw/zinc/14/10/49/203141049.db2.gz VOUFVGOPBDXBIA-RYUDHWBXSA-N 2 2 281.360 1.426 20 5 CDBDLP COc1cc(C[NH2+]C[C@H]([NH3+])C2CC2)c([N+](=O)[O-])cc1OC ZINC000414901503 371072421 /nfs/dbraw/zinc/07/24/21/371072421.db2.gz XCOLAZLRBOHJLB-NSHDSACASA-N 2 2 295.339 1.439 20 5 CDBDLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000163242341 390179956 /nfs/dbraw/zinc/17/99/56/390179956.db2.gz MADAVFSBTRAPQG-WPRPVWTQSA-N 2 2 255.343 1.825 20 5 CDBDLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000163242341 390179957 /nfs/dbraw/zinc/17/99/57/390179957.db2.gz MADAVFSBTRAPQG-WPRPVWTQSA-N 2 2 255.343 1.825 20 5 CDBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430935614 393104295 /nfs/dbraw/zinc/10/42/95/393104295.db2.gz UMOPNSWNOPUXMI-GHMZBOCLSA-N 2 2 292.339 1.202 20 5 CDBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430935614 393104301 /nfs/dbraw/zinc/10/43/01/393104301.db2.gz UMOPNSWNOPUXMI-GHMZBOCLSA-N 2 2 292.339 1.202 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251618120 140310015 /nfs/dbraw/zinc/31/00/15/140310015.db2.gz DUGUGXXPLFHUOJ-ZWNOBZJWSA-N 2 2 279.340 1.773 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251618120 140310016 /nfs/dbraw/zinc/31/00/16/140310016.db2.gz DUGUGXXPLFHUOJ-ZWNOBZJWSA-N 2 2 279.340 1.773 20 5 CDBDLP C[C@H]1C[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000094342109 147083144 /nfs/dbraw/zinc/08/31/44/147083144.db2.gz QISNQWFADVFCID-CABZTGNLSA-N 2 2 267.304 1.903 20 5 CDBDLP C[C@H]1C[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000094342109 147083145 /nfs/dbraw/zinc/08/31/45/147083145.db2.gz QISNQWFADVFCID-CABZTGNLSA-N 2 2 267.304 1.903 20 5 CDBDLP O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000044722145 175236938 /nfs/dbraw/zinc/23/69/38/175236938.db2.gz TYNIQUDIIJTZME-CYBMUJFWSA-N 2 2 275.352 1.964 20 5 CDBDLP O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000044722145 175236939 /nfs/dbraw/zinc/23/69/39/175236939.db2.gz TYNIQUDIIJTZME-CYBMUJFWSA-N 2 2 275.352 1.964 20 5 CDBDLP [NH3+]C[C@@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001246506413 1164245694 /nfs/dbraw/zinc/24/56/94/1164245694.db2.gz HCEYNTKAZLBHMB-KWCYVHTRSA-N 2 2 263.341 1.721 20 5 CDBDLP [NH3+]C[C@@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001246506409 1164245719 /nfs/dbraw/zinc/24/57/19/1164245719.db2.gz HCEYNTKAZLBHMB-FPMFFAJLSA-N 2 2 263.341 1.721 20 5 CDBDLP C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C1C[NH2+]C1 ZINC000817907700 738842482 /nfs/dbraw/zinc/84/24/82/738842482.db2.gz QTGJZOJILTTYFJ-MRVPVSSYSA-N 2 2 269.732 1.946 20 5 CDBDLP C[C@@H]([NH3+])C[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000863567053 738244351 /nfs/dbraw/zinc/24/43/51/738244351.db2.gz BGYDMOAMLINTAE-SECBINFHSA-N 2 2 298.318 1.342 20 5 CDBDLP C[C@@H]([NH3+])C[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000863567053 738244357 /nfs/dbraw/zinc/24/43/57/738244357.db2.gz BGYDMOAMLINTAE-SECBINFHSA-N 2 2 298.318 1.342 20 5 CDBDLP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H]1C[NH3+] ZINC001173217041 912301539 /nfs/dbraw/zinc/30/15/39/912301539.db2.gz KPSGAXPIAQUHOM-FZMZJTMJSA-N 2 2 263.341 1.949 20 5 CDBDLP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H]1C[NH3+] ZINC001173217041 912301555 /nfs/dbraw/zinc/30/15/55/912301555.db2.gz KPSGAXPIAQUHOM-FZMZJTMJSA-N 2 2 263.341 1.949 20 5 CDBDLP C[NH+]1CCN(C(=[NH2+])Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC001168736927 921889193 /nfs/dbraw/zinc/88/91/93/921889193.db2.gz MNZQCDBMRYBLKL-UHFFFAOYSA-N 2 2 297.746 1.842 20 5 CDBDLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]21 ZINC001169050042 927669833 /nfs/dbraw/zinc/66/98/33/927669833.db2.gz YJYAOKYRLOILGR-DGAVXFQQSA-N 2 2 267.373 1.458 20 5 CDBDLP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]21 ZINC001169050042 927669835 /nfs/dbraw/zinc/66/98/35/927669835.db2.gz YJYAOKYRLOILGR-DGAVXFQQSA-N 2 2 267.373 1.458 20 5 CDBDLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]21 ZINC001169050042 927669838 /nfs/dbraw/zinc/66/98/38/927669838.db2.gz YJYAOKYRLOILGR-DGAVXFQQSA-N 2 2 267.373 1.458 20 5 CDBDLP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]21 ZINC001169050042 927669840 /nfs/dbraw/zinc/66/98/40/927669840.db2.gz YJYAOKYRLOILGR-DGAVXFQQSA-N 2 2 267.373 1.458 20 5 CDBDLP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001246857047 948482262 /nfs/dbraw/zinc/48/22/62/948482262.db2.gz ZIRPLBGRLUBDOD-ZLDLUXBVSA-N 2 2 275.352 1.949 20 5 CDBDLP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001246857047 948482266 /nfs/dbraw/zinc/48/22/66/948482266.db2.gz ZIRPLBGRLUBDOD-ZLDLUXBVSA-N 2 2 275.352 1.949 20 5 CDBDLP COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000106468331 186119825 /nfs/dbraw/zinc/11/98/25/186119825.db2.gz IKVFSIUZZYHOMZ-LBPRGKRZSA-N 2 2 279.340 1.787 20 5 CDBDLP COc1ccc(C[NH2+]C[C@@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000106468331 186119827 /nfs/dbraw/zinc/11/98/27/186119827.db2.gz IKVFSIUZZYHOMZ-LBPRGKRZSA-N 2 2 279.340 1.787 20 5 CDBDLP Cc1c(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000107578040 186179446 /nfs/dbraw/zinc/17/94/46/186179446.db2.gz UKOHDNCKNUQIFE-BETUJISGSA-N 2 2 261.325 1.554 20 5 CDBDLP Cc1c(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000107578040 186179448 /nfs/dbraw/zinc/17/94/48/186179448.db2.gz UKOHDNCKNUQIFE-BETUJISGSA-N 2 2 261.325 1.554 20 5 CDBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C1CC[NH2+]CC1 ZINC000414782533 241384678 /nfs/dbraw/zinc/38/46/78/241384678.db2.gz FAQRYCFVSGCFPL-UHFFFAOYSA-N 2 2 279.340 1.835 20 5 CDBDLP CCC[NH2+]CC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000414883639 368829046 /nfs/dbraw/zinc/82/90/46/368829046.db2.gz NRSBDHVEXGSXEK-UHFFFAOYSA-N 2 2 251.330 1.992 20 5 CDBDLP O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000415091914 391014477 /nfs/dbraw/zinc/01/44/77/391014477.db2.gz DLYHQJSEOQURBX-HSBHDXMMSA-N 2 2 277.324 1.186 20 5 CDBDLP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430935616 393105647 /nfs/dbraw/zinc/10/56/47/393105647.db2.gz UMOPNSWNOPUXMI-QWRGUYRKSA-N 2 2 292.339 1.202 20 5 CDBDLP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430935616 393105651 /nfs/dbraw/zinc/10/56/51/393105651.db2.gz UMOPNSWNOPUXMI-QWRGUYRKSA-N 2 2 292.339 1.202 20 5 CDBDLP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3csc([N+](=O)[O-])c3)C[C@H]12 ZINC000261588945 140358211 /nfs/dbraw/zinc/35/82/11/140358211.db2.gz VYZDIKAJKWCQSH-GARJFASQSA-N 2 2 267.354 1.825 20 5 CDBDLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3csc([N+](=O)[O-])c3)C[C@H]12 ZINC000261588945 140358212 /nfs/dbraw/zinc/35/82/12/140358212.db2.gz VYZDIKAJKWCQSH-GARJFASQSA-N 2 2 267.354 1.825 20 5 CDBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCC[NH2+]C1 ZINC000423197385 397602257 /nfs/dbraw/zinc/60/22/57/397602257.db2.gz ZERNPAOSDGRJKV-YPMHNXCESA-N 2 2 263.341 1.867 20 5 CDBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359288594 158200467 /nfs/dbraw/zinc/20/04/67/158200467.db2.gz ZSNWOWMFPVXEOR-CHWSQXEVSA-N 2 2 291.351 1.645 20 5 CDBDLP O=[N+]([O-])c1cccc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000252666698 275039233 /nfs/dbraw/zinc/03/92/33/275039233.db2.gz ASELPBHSONJWDK-GJZGRUSLSA-N 2 2 291.351 1.548 20 5 CDBDLP O=[N+]([O-])c1cccc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000252666698 275039234 /nfs/dbraw/zinc/03/92/34/275039234.db2.gz ASELPBHSONJWDK-GJZGRUSLSA-N 2 2 291.351 1.548 20 5 CDBDLP C[C@@H]1C[C@H](C)[N@H+](Cc2c([N+](=O)[O-])ncn2C)C[C@H]1C[NH3+] ZINC000422637000 278006098 /nfs/dbraw/zinc/00/60/98/278006098.db2.gz NYZDSKQOGDVQID-OUAUKWLOSA-N 2 2 281.360 1.134 20 5 CDBDLP C[C@@H]1C[C@H](C)[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C[C@H]1C[NH3+] ZINC000422637000 278006099 /nfs/dbraw/zinc/00/60/99/278006099.db2.gz NYZDSKQOGDVQID-OUAUKWLOSA-N 2 2 281.360 1.134 20 5 CDBDLP C[C@@H]1C[C@H](C)[N@H+](Cc2c([N+](=O)[O-])ncn2C)C[C@@H]1C[NH3+] ZINC000422637002 297367361 /nfs/dbraw/zinc/36/73/61/297367361.db2.gz NYZDSKQOGDVQID-VWYCJHECSA-N 2 2 281.360 1.134 20 5 CDBDLP C[C@@H]1C[C@H](C)[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C[C@@H]1C[NH3+] ZINC000422637002 297367363 /nfs/dbraw/zinc/36/73/63/297367363.db2.gz NYZDSKQOGDVQID-VWYCJHECSA-N 2 2 281.360 1.134 20 5 CDBDLP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932178553 742080437 /nfs/dbraw/zinc/08/04/37/742080437.db2.gz PMZHJRLVKZHUGO-BXUZGUMPSA-N 2 2 281.356 1.558 20 5 CDBDLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932178553 742080443 /nfs/dbraw/zinc/08/04/43/742080443.db2.gz PMZHJRLVKZHUGO-BXUZGUMPSA-N 2 2 281.356 1.558 20 5 CDBDLP C[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C1CC[NH+](C)CC1 ZINC001169007973 927610892 /nfs/dbraw/zinc/61/08/92/927610892.db2.gz QBZSUBUZSNKNAP-WCQYABFASA-N 2 2 255.362 1.458 20 5 CDBDLP C[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C1CC[NH+](C)CC1 ZINC001169007973 927610895 /nfs/dbraw/zinc/61/08/95/927610895.db2.gz QBZSUBUZSNKNAP-WCQYABFASA-N 2 2 255.362 1.458 20 5 CDBDLP O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCC(n3cc[nH+]c3)CC2)C1 ZINC001169037101 927647849 /nfs/dbraw/zinc/64/78/49/927647849.db2.gz IYSBJBZEUVRDCM-GXTWGEPZSA-N 2 2 278.356 1.965 20 5 CDBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1C[NH+](C)C1 ZINC001254543545 947518003 /nfs/dbraw/zinc/51/80/03/947518003.db2.gz SSRDVIQAFTXQRQ-NSHDSACASA-N 2 2 263.341 1.677 20 5 CDBDLP O=[N+]([O-])c1ccc2cc[nH+]c(N3C[C@H]4C[NH2+]C[C@@H]4C3)c2c1 ZINC000591139924 342618280 /nfs/dbraw/zinc/61/82/80/342618280.db2.gz LMWYHQNBRKJANQ-VXGBXAGGSA-N 2 2 284.319 1.799 20 5 CDBDLP [NH3+]C[C@H]1CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000592425067 342690372 /nfs/dbraw/zinc/69/03/72/342690372.db2.gz RWYHHUQIBJGEHI-SNVBAGLBSA-N 2 2 293.323 1.147 20 5 CDBDLP [NH3+]C[C@H]1CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000592425067 342690373 /nfs/dbraw/zinc/69/03/73/342690373.db2.gz RWYHHUQIBJGEHI-SNVBAGLBSA-N 2 2 293.323 1.147 20 5 CDBDLP CC[N@H+](CC[NH3+])CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000600718359 342244526 /nfs/dbraw/zinc/24/45/26/342244526.db2.gz WWAOCIDUPDABND-UHFFFAOYSA-N 2 2 294.355 1.512 20 5 CDBDLP CC[N@@H+](CC[NH3+])CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000600718359 342244527 /nfs/dbraw/zinc/24/45/27/342244527.db2.gz WWAOCIDUPDABND-UHFFFAOYSA-N 2 2 294.355 1.512 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000603429631 344802299 /nfs/dbraw/zinc/80/22/99/344802299.db2.gz NNJDEEGZHBWMPB-STQMWFEESA-N 2 2 279.340 1.819 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000603429630 344802450 /nfs/dbraw/zinc/80/24/50/344802450.db2.gz NNJDEEGZHBWMPB-QWHCGFSZSA-N 2 2 279.340 1.819 20 5 CDBDLP O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000610447625 346283902 /nfs/dbraw/zinc/28/39/02/346283902.db2.gz CNLWMIJLMVFXOO-GFCCVEGCSA-N 2 2 290.327 1.325 20 5 CDBDLP O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000610447625 346283906 /nfs/dbraw/zinc/28/39/06/346283906.db2.gz CNLWMIJLMVFXOO-GFCCVEGCSA-N 2 2 290.327 1.325 20 5 CDBDLP C[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC[NH2+]1 ZINC000414945661 370914249 /nfs/dbraw/zinc/91/42/49/370914249.db2.gz IOWHCYWCBMLCEY-GXSJLCMTSA-N 2 2 267.304 1.964 20 5 CDBDLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000420367729 244151862 /nfs/dbraw/zinc/15/18/62/244151862.db2.gz NFRWCJKKTDCKEY-TYNCELHUSA-N 2 2 293.367 1.950 20 5 CDBDLP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CC[NH2+]C1 ZINC000414891794 369280096 /nfs/dbraw/zinc/28/00/96/369280096.db2.gz XFRKMASMJYXUPX-ZYHUDNBSSA-N 2 2 292.339 1.263 20 5 CDBDLP COc1ccc(C[NH2+]C[C@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000414893346 371032849 /nfs/dbraw/zinc/03/28/49/371032849.db2.gz KDXVEJVOZBAKLI-NSHDSACASA-N 2 2 265.313 1.430 20 5 CDBDLP CCC[N@H+](C)C[C@@H]1CC[NH+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000176273682 148035545 /nfs/dbraw/zinc/03/55/45/148035545.db2.gz VVNIUCGNOJHKGU-ZDUSSCGKSA-N 2 2 295.387 1.455 20 5 CDBDLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000176273682 148035546 /nfs/dbraw/zinc/03/55/46/148035546.db2.gz VVNIUCGNOJHKGU-ZDUSSCGKSA-N 2 2 295.387 1.455 20 5 CDBDLP CCC[NH+](C)C[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000176273682 148035547 /nfs/dbraw/zinc/03/55/47/148035547.db2.gz VVNIUCGNOJHKGU-ZDUSSCGKSA-N 2 2 295.387 1.455 20 5 CDBDLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000176273682 148035548 /nfs/dbraw/zinc/03/55/48/148035548.db2.gz VVNIUCGNOJHKGU-ZDUSSCGKSA-N 2 2 295.387 1.455 20 5 CDBDLP [NH3+]C[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CCCO1 ZINC000313352173 260286843 /nfs/dbraw/zinc/28/68/43/260286843.db2.gz NWQYPCVJWGRIGC-GFCCVEGCSA-N 2 2 265.313 1.144 20 5 CDBDLP [NH3+]C[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])CCCO1 ZINC000313352173 260286845 /nfs/dbraw/zinc/28/68/45/260286845.db2.gz NWQYPCVJWGRIGC-GFCCVEGCSA-N 2 2 265.313 1.144 20 5 CDBDLP O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261588718 275039872 /nfs/dbraw/zinc/03/98/72/275039872.db2.gz KHTZYKKTBMVUDZ-AAEUAGOBSA-N 2 2 261.325 1.779 20 5 CDBDLP O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261588718 275039873 /nfs/dbraw/zinc/03/98/73/275039873.db2.gz KHTZYKKTBMVUDZ-AAEUAGOBSA-N 2 2 261.325 1.779 20 5 CDBDLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000035275177 524961826 /nfs/dbraw/zinc/96/18/26/524961826.db2.gz YGCKMHBSCDZDCE-NSHDSACASA-N 2 2 260.297 1.970 20 5 CDBDLP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000906516315 627301525 /nfs/dbraw/zinc/30/15/25/627301525.db2.gz CNNQQROGWKRXJZ-KYZUINATSA-N 2 2 255.705 1.828 20 5 CDBDLP O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC23CC[NH2+]CC3)c1 ZINC001574441395 1170984220 /nfs/dbraw/zinc/98/42/20/1170984220.db2.gz WSSWFVSCLRNVLW-AWEZNQCLSA-N 2 2 291.351 1.456 20 5 CDBDLP O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC23CC[NH2+]CC3)c1 ZINC001574441395 1170984225 /nfs/dbraw/zinc/98/42/25/1170984225.db2.gz WSSWFVSCLRNVLW-AWEZNQCLSA-N 2 2 291.351 1.456 20 5 CDBDLP C[C@@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000886840126 746492789 /nfs/dbraw/zinc/49/27/89/746492789.db2.gz UDAGYMLULVZYCF-ZYHUDNBSSA-N 2 2 264.329 1.407 20 5 CDBDLP C[C@@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000886840126 746492812 /nfs/dbraw/zinc/49/28/12/746492812.db2.gz UDAGYMLULVZYCF-ZYHUDNBSSA-N 2 2 264.329 1.407 20 5 CDBDLP [NH3+]C[C@@H]1Cc2ccccc2C[N@@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169001061 927605716 /nfs/dbraw/zinc/60/57/16/927605716.db2.gz CQYRCZVEONCGBT-WQVCFCJDSA-N 2 2 289.379 1.817 20 5 CDBDLP [NH3+]C[C@@H]1Cc2ccccc2C[N@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169001061 927605723 /nfs/dbraw/zinc/60/57/23/927605723.db2.gz CQYRCZVEONCGBT-WQVCFCJDSA-N 2 2 289.379 1.817 20 5 CDBDLP C[NH+]1CCN(C(=[NH2+])Nc2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC001157910291 938561150 /nfs/dbraw/zinc/56/11/50/938561150.db2.gz AMTDLJCUDKQCAY-UHFFFAOYSA-N 2 2 298.734 1.237 20 5 CDBDLP O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@@H]1C[NH2+]CC13CC3)C2 ZINC001246127884 947974167 /nfs/dbraw/zinc/97/41/67/947974167.db2.gz CKLMLFHWAGFFLB-GXTWGEPZSA-N 2 2 273.336 1.404 20 5 CDBDLP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1C[C@@H]3C[NH2+]C[C@H]31)CC2 ZINC001246917135 948518146 /nfs/dbraw/zinc/51/81/46/948518146.db2.gz KBAGLDSWPDHUQU-SQWLQELKSA-N 2 2 287.363 1.746 20 5 CDBDLP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1C[C@@H]3C[NH2+]C[C@H]31)CC2 ZINC001246917135 948518154 /nfs/dbraw/zinc/51/81/54/948518154.db2.gz KBAGLDSWPDHUQU-SQWLQELKSA-N 2 2 287.363 1.746 20 5 CDBDLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC[N+](=O)[O-] ZINC001334683881 959284748 /nfs/dbraw/zinc/28/47/48/959284748.db2.gz DKISRIFFCBDXSZ-HIFRSBDPSA-N 2 2 277.368 1.763 20 5 CDBDLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC[N+](=O)[O-] ZINC001334683881 959284764 /nfs/dbraw/zinc/28/47/64/959284764.db2.gz DKISRIFFCBDXSZ-HIFRSBDPSA-N 2 2 277.368 1.763 20 5 CDBDLP C[N@H+](CCN1CC[NH2+]CC1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000592472288 342698578 /nfs/dbraw/zinc/69/85/78/342698578.db2.gz TVFVYJWKWVFSHA-UHFFFAOYSA-N 2 2 296.346 1.071 20 5 CDBDLP C[N@@H+](CCN1CC[NH2+]CC1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000592472288 342698579 /nfs/dbraw/zinc/69/85/79/342698579.db2.gz TVFVYJWKWVFSHA-UHFFFAOYSA-N 2 2 296.346 1.071 20 5 CDBDLP [NH3+][C@]12CCC[C@@H]1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000598680384 343875369 /nfs/dbraw/zinc/87/53/69/343875369.db2.gz AJBROWRKMGOFRG-OCCSQVGLSA-N 2 2 261.325 1.908 20 5 CDBDLP [NH3+][C@]12CCC[C@@H]1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000598680384 343875370 /nfs/dbraw/zinc/87/53/70/343875370.db2.gz AJBROWRKMGOFRG-OCCSQVGLSA-N 2 2 261.325 1.908 20 5 CDBDLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000420382713 244179571 /nfs/dbraw/zinc/17/95/71/244179571.db2.gz ZYCRCCMGEYHTSG-LALPHHSUSA-N 2 2 293.367 1.950 20 5 CDBDLP Cc1ccc([C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000330870409 203334442 /nfs/dbraw/zinc/33/44/42/203334442.db2.gz FTDDNISZJAMOJE-WFASDCNBSA-N 2 2 293.367 1.620 20 5 CDBDLP Cc1ccc([C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000330870409 203334447 /nfs/dbraw/zinc/33/44/47/203334447.db2.gz FTDDNISZJAMOJE-WFASDCNBSA-N 2 2 293.367 1.620 20 5 CDBDLP C[NH2+]C[C@H](C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000414837485 370494355 /nfs/dbraw/zinc/49/43/55/370494355.db2.gz KETKOPPNUPTIRD-VIFPVBQESA-N 2 2 255.293 1.679 20 5 CDBDLP Cc1c(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000423079909 392958720 /nfs/dbraw/zinc/95/87/20/392958720.db2.gz RMQTUQGPEBUTTO-GWCFXTLKSA-N 2 2 263.341 1.991 20 5 CDBDLP CC[N@H+](C)C[C@H]1CC[NH+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176285706 148035454 /nfs/dbraw/zinc/03/54/54/148035454.db2.gz MXAOEYGMWZZOQS-GFCCVEGCSA-N 2 2 281.360 1.065 20 5 CDBDLP CC[N@@H+](C)C[C@H]1CC[NH+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176285706 148035459 /nfs/dbraw/zinc/03/54/59/148035459.db2.gz MXAOEYGMWZZOQS-GFCCVEGCSA-N 2 2 281.360 1.065 20 5 CDBDLP CC[NH+](C)C[C@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176285706 148035464 /nfs/dbraw/zinc/03/54/64/148035464.db2.gz MXAOEYGMWZZOQS-GFCCVEGCSA-N 2 2 281.360 1.065 20 5 CDBDLP CC[NH+](C)C[C@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176285706 148035466 /nfs/dbraw/zinc/03/54/66/148035466.db2.gz MXAOEYGMWZZOQS-GFCCVEGCSA-N 2 2 281.360 1.065 20 5 CDBDLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000563352564 316263442 /nfs/dbraw/zinc/26/34/42/316263442.db2.gz JFVCGJMDASAHHH-RISCZKNCSA-N 2 2 281.356 1.558 20 5 CDBDLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000563352564 316263444 /nfs/dbraw/zinc/26/34/44/316263444.db2.gz JFVCGJMDASAHHH-RISCZKNCSA-N 2 2 281.356 1.558 20 5 CDBDLP O=[N+]([O-])CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000930060170 632510744 /nfs/dbraw/zinc/51/07/44/632510744.db2.gz GMICSHJNTAXTGO-DGCLKSJQSA-N 2 2 253.346 1.212 20 5 CDBDLP O=[N+]([O-])CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000930060170 632510748 /nfs/dbraw/zinc/51/07/48/632510748.db2.gz GMICSHJNTAXTGO-DGCLKSJQSA-N 2 2 253.346 1.212 20 5 CDBDLP O=[N+]([O-])CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000930060170 632510755 /nfs/dbraw/zinc/51/07/55/632510755.db2.gz GMICSHJNTAXTGO-DGCLKSJQSA-N 2 2 253.346 1.212 20 5 CDBDLP O=[N+]([O-])CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000930060170 632510760 /nfs/dbraw/zinc/51/07/60/632510760.db2.gz GMICSHJNTAXTGO-DGCLKSJQSA-N 2 2 253.346 1.212 20 5 CDBDLP [NH3+]C[C@@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001246506435 1164244838 /nfs/dbraw/zinc/24/48/38/1164244838.db2.gz HCEYNTKAZLBHMB-MRVWCRGKSA-N 2 2 263.341 1.721 20 5 CDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C[C@@H](C)[NH3+] ZINC000863568720 752309140 /nfs/dbraw/zinc/30/91/40/752309140.db2.gz MDYYNMXBPYXOMN-LLVKDONJSA-N 2 2 294.355 1.511 20 5 CDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)C[C@@H](C)[NH3+] ZINC000863568720 752309148 /nfs/dbraw/zinc/30/91/48/752309148.db2.gz MDYYNMXBPYXOMN-LLVKDONJSA-N 2 2 294.355 1.511 20 5 CDBDLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818959075 752838495 /nfs/dbraw/zinc/83/84/95/752838495.db2.gz BYUQVKQEWIUAAN-RISCZKNCSA-N 2 2 290.323 1.503 20 5 CDBDLP O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCCn2cc[nH+]c2)C1 ZINC001168958827 927578993 /nfs/dbraw/zinc/57/89/93/927578993.db2.gz QDMNLWLKBBVJBC-NWDGAFQWSA-N 2 2 252.318 1.308 20 5 CDBDLP CC(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168972378 927596669 /nfs/dbraw/zinc/59/66/69/927596669.db2.gz MTSHDGDKUCKOEN-XQQFMLRXSA-N 2 2 255.362 1.504 20 5 CDBDLP CC(C)[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168972378 927596673 /nfs/dbraw/zinc/59/66/73/927596673.db2.gz MTSHDGDKUCKOEN-XQQFMLRXSA-N 2 2 255.362 1.504 20 5 CDBDLP COCC[N@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CC[NH+](C)CC1 ZINC001169021917 927663739 /nfs/dbraw/zinc/66/37/39/927663739.db2.gz BCIGBRXJGHZQQY-HIFRSBDPSA-N 2 2 299.415 1.474 20 5 CDBDLP COCC[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CC[NH+](C)CC1 ZINC001169021917 927663744 /nfs/dbraw/zinc/66/37/44/927663744.db2.gz BCIGBRXJGHZQQY-HIFRSBDPSA-N 2 2 299.415 1.474 20 5 CDBDLP C[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000591581766 342637900 /nfs/dbraw/zinc/63/79/00/342637900.db2.gz RFQDEZWRLVZKKZ-DLOVCJGASA-N 2 2 267.304 1.945 20 5 CDBDLP [NH3+][C@]12CCC[C@H]1C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000598684981 343864862 /nfs/dbraw/zinc/86/48/62/343864862.db2.gz ZOCLMFSDJGTVEZ-ZFWWWQNUSA-N 2 2 275.352 1.951 20 5 CDBDLP [NH3+][C@]12CCC[C@H]1C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000598684981 343864864 /nfs/dbraw/zinc/86/48/64/343864864.db2.gz ZOCLMFSDJGTVEZ-ZFWWWQNUSA-N 2 2 275.352 1.951 20 5 CDBDLP C[NH2+]CC[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000420336338 244103565 /nfs/dbraw/zinc/10/35/65/244103565.db2.gz KOXSPQIFIKRHFZ-UHFFFAOYSA-N 2 2 294.355 1.383 20 5 CDBDLP C[NH2+]CC[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000420336338 244103567 /nfs/dbraw/zinc/10/35/67/244103567.db2.gz KOXSPQIFIKRHFZ-UHFFFAOYSA-N 2 2 294.355 1.383 20 5 CDBDLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000351865646 370447122 /nfs/dbraw/zinc/44/71/22/370447122.db2.gz ODEPWRMEOUVQMW-VHSXEESVSA-N 2 2 290.323 1.905 20 5 CDBDLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000351865646 370447125 /nfs/dbraw/zinc/44/71/25/370447125.db2.gz ODEPWRMEOUVQMW-VHSXEESVSA-N 2 2 290.323 1.905 20 5 CDBDLP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000305119443 375552531 /nfs/dbraw/zinc/55/25/31/375552531.db2.gz JBWQGRZLTJGYPC-GWCFXTLKSA-N 2 2 267.329 1.168 20 5 CDBDLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000358138507 375952629 /nfs/dbraw/zinc/95/26/29/375952629.db2.gz MZOIXOKNNKYUJP-ZDUSSCGKSA-N 2 2 299.758 1.404 20 5 CDBDLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000358138507 375952635 /nfs/dbraw/zinc/95/26/35/375952635.db2.gz MZOIXOKNNKYUJP-ZDUSSCGKSA-N 2 2 299.758 1.404 20 5 CDBDLP COc1ccc(C[NH2+][C@](C)(C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000430560484 393100391 /nfs/dbraw/zinc/10/03/91/393100391.db2.gz WNENTQYESQDSOB-CQSZACIVSA-N 2 2 279.340 1.820 20 5 CDBDLP [NH3+]C[C@@H]1CCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000430587337 393100405 /nfs/dbraw/zinc/10/04/05/393100405.db2.gz VPYOQBXEJGGTLK-LBPRGKRZSA-N 2 2 265.313 1.397 20 5 CDBDLP [NH3+]C[C@@H]1CCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000430587337 393100409 /nfs/dbraw/zinc/10/04/09/393100409.db2.gz VPYOQBXEJGGTLK-LBPRGKRZSA-N 2 2 265.313 1.397 20 5 CDBDLP [NH3+]C[C@@H]1Cc2ccccc2C[N@@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169001058 927605856 /nfs/dbraw/zinc/60/58/56/927605856.db2.gz CQYRCZVEONCGBT-KCXAZCMYSA-N 2 2 289.379 1.817 20 5 CDBDLP [NH3+]C[C@@H]1Cc2ccccc2C[N@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169001058 927605877 /nfs/dbraw/zinc/60/58/77/927605877.db2.gz CQYRCZVEONCGBT-KCXAZCMYSA-N 2 2 289.379 1.817 20 5 CDBDLP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246568984 948288574 /nfs/dbraw/zinc/28/85/74/948288574.db2.gz UGCILCPMIJGXDY-UHIISALHSA-N 2 2 263.341 1.805 20 5 CDBDLP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246568984 948288578 /nfs/dbraw/zinc/28/85/78/948288578.db2.gz UGCILCPMIJGXDY-UHIISALHSA-N 2 2 263.341 1.805 20 5 CDBDLP C[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000591580992 342638048 /nfs/dbraw/zinc/63/80/48/342638048.db2.gz IWGHIROBYPWIGC-DLOVCJGASA-N 2 2 267.304 1.945 20 5 CDBDLP Cc1ccc(C[NH2+]C[C@](C)(O)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000228726742 362947970 /nfs/dbraw/zinc/94/79/70/362947970.db2.gz QFNRHTLSWLWILB-AWEZNQCLSA-N 2 2 281.356 1.305 20 5 CDBDLP C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000582181854 364079636 /nfs/dbraw/zinc/07/96/36/364079636.db2.gz VZEWAMLZIFLAHK-LLVKDONJSA-N 2 2 292.339 1.217 20 5 CDBDLP C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000582181854 364079642 /nfs/dbraw/zinc/07/96/42/364079642.db2.gz VZEWAMLZIFLAHK-LLVKDONJSA-N 2 2 292.339 1.217 20 5 CDBDLP Cc1ccc([C@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1[N+](=O)[O-] ZINC000423433099 374381927 /nfs/dbraw/zinc/38/19/27/374381927.db2.gz MVQQIHAJLCYOCQ-PQFRYHKHSA-N 2 2 261.325 1.772 20 5 CDBDLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000424289757 374406841 /nfs/dbraw/zinc/40/68/41/374406841.db2.gz CCQLMDBUSWFKCU-GHMZBOCLSA-N 2 2 292.339 1.393 20 5 CDBDLP C[C@@H]1C[C@@H]([NH2+]CC[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000905152491 626638416 /nfs/dbraw/zinc/63/84/16/626638416.db2.gz DXTVJBZLIAKMGU-HIFRSBDPSA-N 2 2 277.368 1.906 20 5 CDBDLP C[C@@H]1C[C@@H]([NH2+]CC[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000905152491 626638418 /nfs/dbraw/zinc/63/84/18/626638418.db2.gz DXTVJBZLIAKMGU-HIFRSBDPSA-N 2 2 277.368 1.906 20 5 CDBDLP C[NH2+]CCC[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923381019 771289512 /nfs/dbraw/zinc/28/95/12/771289512.db2.gz ZIIVXSGREPAVEL-CYBMUJFWSA-N 2 2 267.329 1.170 20 5 CDBDLP C[NH2+]CCC[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923381019 771289517 /nfs/dbraw/zinc/28/95/17/771289517.db2.gz ZIIVXSGREPAVEL-CYBMUJFWSA-N 2 2 267.329 1.170 20 5 CDBDLP C[C@@H]1C[C@H](C)[N@H+](Cc2cccnc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000886840315 772968894 /nfs/dbraw/zinc/96/88/94/772968894.db2.gz YYIMTHNRWSOBLW-NTZNESFSSA-N 2 2 278.356 1.795 20 5 CDBDLP C[C@@H]1C[C@H](C)[N@@H+](Cc2cccnc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000886840315 772968898 /nfs/dbraw/zinc/96/88/98/772968898.db2.gz YYIMTHNRWSOBLW-NTZNESFSSA-N 2 2 278.356 1.795 20 5 CDBDLP O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H]1CC[NH2+]C1)CC2 ZINC001118198913 937601191 /nfs/dbraw/zinc/60/11/91/937601191.db2.gz ZDNRXZPLABAKKA-NSHDSACASA-N 2 2 261.325 1.562 20 5 CDBDLP O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H]1CC[NH2+]C1)CC2 ZINC001118198913 937601194 /nfs/dbraw/zinc/60/11/94/937601194.db2.gz ZDNRXZPLABAKKA-NSHDSACASA-N 2 2 261.325 1.562 20 5 CDBDLP O=[N+]([O-])c1ccc(C[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)cc1 ZINC000601332674 342554903 /nfs/dbraw/zinc/55/49/03/342554903.db2.gz NHVIHAMEAFQNRT-OCCSQVGLSA-N 2 2 261.325 1.827 20 5 CDBDLP Cc1cc(NC[C@H](C)[NH3+])nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000591436616 342631838 /nfs/dbraw/zinc/63/18/38/342631838.db2.gz GDEXSZYWSYRDJN-VIFPVBQESA-N 2 2 287.323 1.541 20 5 CDBDLP [NH3+][C@@]12CCC[C@H]1C[N@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC000598680422 343863615 /nfs/dbraw/zinc/86/36/15/343863615.db2.gz BOVXBAYCDVHSNN-GXTWGEPZSA-N 2 2 261.325 1.908 20 5 CDBDLP [NH3+][C@@]12CCC[C@H]1C[N@@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC000598680422 343863618 /nfs/dbraw/zinc/86/36/18/343863618.db2.gz BOVXBAYCDVHSNN-GXTWGEPZSA-N 2 2 261.325 1.908 20 5 CDBDLP [NH3+]C[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CCCO1 ZINC000313352174 260286624 /nfs/dbraw/zinc/28/66/24/260286624.db2.gz NWQYPCVJWGRIGC-LBPRGKRZSA-N 2 2 265.313 1.144 20 5 CDBDLP [NH3+]C[C@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])CCCO1 ZINC000313352174 260286626 /nfs/dbraw/zinc/28/66/26/260286626.db2.gz NWQYPCVJWGRIGC-LBPRGKRZSA-N 2 2 265.313 1.144 20 5 CDBDLP C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H](C[NH3+])C1CC1 ZINC000359875196 356429342 /nfs/dbraw/zinc/42/93/42/356429342.db2.gz JZRDNCMKEQAYRG-CQSZACIVSA-N 2 2 279.340 1.643 20 5 CDBDLP C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H](C[NH3+])C1CC1 ZINC000359875196 356429344 /nfs/dbraw/zinc/42/93/44/356429344.db2.gz JZRDNCMKEQAYRG-CQSZACIVSA-N 2 2 279.340 1.643 20 5 CDBDLP COc1ccc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000261787276 359399394 /nfs/dbraw/zinc/39/93/94/359399394.db2.gz QCSVCNSEIZSKNW-CQSZACIVSA-N 2 2 279.340 1.774 20 5 CDBDLP COc1ccc(C[N@H+]2CC[C@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000261787276 359399399 /nfs/dbraw/zinc/39/93/99/359399399.db2.gz QCSVCNSEIZSKNW-CQSZACIVSA-N 2 2 279.340 1.774 20 5 CDBDLP [NH3+]C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000414798489 241394629 /nfs/dbraw/zinc/39/46/29/241394629.db2.gz JIWHYUHXJQHTBO-LBPRGKRZSA-N 2 2 253.277 1.561 20 5 CDBDLP COCC[NH2+]CC[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000414880481 368663877 /nfs/dbraw/zinc/66/38/77/368663877.db2.gz JCCCKYQMQHFUOI-XQRVVYSFSA-N 2 2 279.340 1.434 20 5 CDBDLP O=[N+]([O-])c1cc(C[NH2+]CC[C@H]2CCC[NH2+]2)cs1 ZINC000414913407 371097720 /nfs/dbraw/zinc/09/77/20/371097720.db2.gz ZRVKFZKAIRWXKF-SNVBAGLBSA-N 2 2 255.343 1.888 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000113513335 374261529 /nfs/dbraw/zinc/26/15/29/374261529.db2.gz ZRXLBPFPCCFLHL-LBPRGKRZSA-N 2 2 293.367 1.987 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000113513335 374261535 /nfs/dbraw/zinc/26/15/35/374261535.db2.gz ZRXLBPFPCCFLHL-LBPRGKRZSA-N 2 2 293.367 1.987 20 5 CDBDLP Cc1cc(N2CC[C@@H]([NH3+])C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000420145668 374287630 /nfs/dbraw/zinc/28/76/30/374287630.db2.gz ORIWLSQJZLMYNY-GFCCVEGCSA-N 2 2 299.334 1.898 20 5 CDBDLP Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000420376674 374293733 /nfs/dbraw/zinc/29/37/33/374293733.db2.gz VJZLMYWUHUDEPU-NSHDSACASA-N 2 2 281.360 1.326 20 5 CDBDLP O=[N+]([O-])c1cc(C[NH2+]C[C@H]2C[NH2+]CCCO2)cs1 ZINC000415040464 391248802 /nfs/dbraw/zinc/24/88/02/391248802.db2.gz OJKPMKNNABGMKB-SNVBAGLBSA-N 2 2 271.342 1.124 20 5 CDBDLP [NH3+]C1(C[NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])CCC1 ZINC000342091857 130306205 /nfs/dbraw/zinc/30/62/05/130306205.db2.gz CXXKWIGTIPZZLC-UHFFFAOYSA-N 2 2 278.312 1.004 20 5 CDBDLP C[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[C@H]1[NH3+] ZINC000430946808 393107737 /nfs/dbraw/zinc/10/77/37/393107737.db2.gz YBXPLCXQMPVOFD-MWLCHTKSSA-N 2 2 290.323 1.905 20 5 CDBDLP C[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[C@H]1[NH3+] ZINC000430946808 393107742 /nfs/dbraw/zinc/10/77/42/393107742.db2.gz YBXPLCXQMPVOFD-MWLCHTKSSA-N 2 2 290.323 1.905 20 5 CDBDLP [NH3+]C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000261582858 140356089 /nfs/dbraw/zinc/35/60/89/140356089.db2.gz RLGLASGHLAZPIA-SECBINFHSA-N 2 2 253.277 1.515 20 5 CDBDLP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000261582858 140356090 /nfs/dbraw/zinc/35/60/90/140356090.db2.gz RLGLASGHLAZPIA-SECBINFHSA-N 2 2 253.277 1.515 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+]C1CC[NH+](C)CC1 ZINC000037249988 173062474 /nfs/dbraw/zinc/06/24/74/173062474.db2.gz DXBDHQQZYUXRPL-UHFFFAOYSA-N 2 2 279.340 1.787 20 5 CDBDLP [NH3+]CCc1[nH+]ccn1-c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000052304472 527199254 /nfs/dbraw/zinc/19/92/54/527199254.db2.gz QBHYZEKYOJYSNN-UHFFFAOYSA-N 2 2 283.291 1.830 20 5 CDBDLP C[N@@H+]1CC[C@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000729681661 574820398 /nfs/dbraw/zinc/82/03/98/574820398.db2.gz HJIHNOAXORSRIR-AGLBCWCQSA-N 2 2 261.325 1.902 20 5 CDBDLP C[N@H+]1CC[C@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000729681661 574820400 /nfs/dbraw/zinc/82/04/00/574820400.db2.gz HJIHNOAXORSRIR-AGLBCWCQSA-N 2 2 261.325 1.902 20 5 CDBDLP [NH3+][C@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000906508317 627296078 /nfs/dbraw/zinc/29/60/78/627296078.db2.gz MOTRWYXRIZQKCH-KYZUINATSA-N 2 2 287.266 1.776 20 5 CDBDLP O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C3CCOCC3)C2)C1 ZINC001168991225 927629908 /nfs/dbraw/zinc/62/99/08/927629908.db2.gz FYJNJCYDUYQDGL-IHRRRGAJSA-N 2 2 297.399 1.275 20 5 CDBDLP O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C3CCOCC3)C2)C1 ZINC001168991225 927629915 /nfs/dbraw/zinc/62/99/15/927629915.db2.gz FYJNJCYDUYQDGL-IHRRRGAJSA-N 2 2 297.399 1.275 20 5 CDBDLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254572577 947532877 /nfs/dbraw/zinc/53/28/77/947532877.db2.gz QNWDYANVXLWXKF-HIFRSBDPSA-N 2 2 275.352 1.746 20 5 CDBDLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254572577 947532882 /nfs/dbraw/zinc/53/28/82/947532882.db2.gz QNWDYANVXLWXKF-HIFRSBDPSA-N 2 2 275.352 1.746 20 5 CDBDLP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H]1C[NH3+] ZINC001246913712 948516293 /nfs/dbraw/zinc/51/62/93/948516293.db2.gz KPSGAXPIAQUHOM-BXUZGUMPSA-N 2 2 263.341 1.949 20 5 CDBDLP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H]1C[NH3+] ZINC001246913712 948516304 /nfs/dbraw/zinc/51/63/04/948516304.db2.gz KPSGAXPIAQUHOM-BXUZGUMPSA-N 2 2 263.341 1.949 20 5 CDBDLP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1C[C@@H]3C[NH2+]C[C@@H]31)CC2 ZINC001246917132 948517710 /nfs/dbraw/zinc/51/77/10/948517710.db2.gz KBAGLDSWPDHUQU-LZWOXQAQSA-N 2 2 287.363 1.746 20 5 CDBDLP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1C[C@@H]3C[NH2+]C[C@@H]31)CC2 ZINC001246917132 948517715 /nfs/dbraw/zinc/51/77/15/948517715.db2.gz KBAGLDSWPDHUQU-LZWOXQAQSA-N 2 2 287.363 1.746 20 5 CDBDLP C[N@@H+](CCCn1cc[nH+]c1)CCn1ccc([N+](=O)[O-])n1 ZINC000181060486 357308635 /nfs/dbraw/zinc/30/86/35/357308635.db2.gz WLIKDTRVSSUAOD-UHFFFAOYSA-N 2 2 278.316 1.010 20 5 CDBDLP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000168610072 364003532 /nfs/dbraw/zinc/00/35/32/364003532.db2.gz VGZWTIQAPZKSCW-WDEREUQCSA-N 2 2 292.339 1.202 20 5 CDBDLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000168610072 364003537 /nfs/dbraw/zinc/00/35/37/364003537.db2.gz VGZWTIQAPZKSCW-WDEREUQCSA-N 2 2 292.339 1.202 20 5 CDBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCC[NH3+] ZINC000582122027 364069408 /nfs/dbraw/zinc/06/94/08/364069408.db2.gz WEOLIFDQOMNEQV-UHFFFAOYSA-N 2 2 267.329 1.774 20 5 CDBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCC[NH3+] ZINC000582122027 364069412 /nfs/dbraw/zinc/06/94/12/364069412.db2.gz WEOLIFDQOMNEQV-UHFFFAOYSA-N 2 2 267.329 1.774 20 5 CDBDLP COc1cc(C[NH2+]C2CC[NH2+]CC2)c([N+](=O)[O-])cc1OC ZINC000414785453 241386046 /nfs/dbraw/zinc/38/60/46/241386046.db2.gz IWAWXULYNMMZAA-UHFFFAOYSA-N 2 2 295.339 1.454 20 5 CDBDLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC[NH2+]1 ZINC000414945662 371138170 /nfs/dbraw/zinc/13/81/70/371138170.db2.gz IOWHCYWCBMLCEY-KOLCDFICSA-N 2 2 267.304 1.964 20 5 CDBDLP COC[C@@]1(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000414936836 371144845 /nfs/dbraw/zinc/14/48/45/371144845.db2.gz CHZFPUAKFAUKTJ-HNNXBMFYSA-N 2 2 293.367 1.761 20 5 CDBDLP Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000331991691 204368428 /nfs/dbraw/zinc/36/84/28/204368428.db2.gz YBRSENNNERIWNP-UHFFFAOYSA-N 2 2 290.327 1.362 20 5 CDBDLP CC[NH2+]CC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423241164 374374111 /nfs/dbraw/zinc/37/41/11/374374111.db2.gz UQIIUWQKGQTMIC-LLVKDONJSA-N 2 2 251.330 1.725 20 5 CDBDLP CC[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000154341110 374698400 /nfs/dbraw/zinc/69/84/00/374698400.db2.gz VUKCWGFDSVDNPU-ZIAGYGMSSA-N 2 2 281.356 1.558 20 5 CDBDLP C[C@]1(C[NH3+])CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000261589753 140357906 /nfs/dbraw/zinc/35/79/06/140357906.db2.gz KXFNXLFCFWWYRP-CYBMUJFWSA-N 2 2 267.304 1.905 20 5 CDBDLP C[C@]1(C[NH3+])CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000261589753 140357907 /nfs/dbraw/zinc/35/79/07/140357907.db2.gz KXFNXLFCFWWYRP-CYBMUJFWSA-N 2 2 267.304 1.905 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC([NH3+])CC1 ZINC000036754861 279141111 /nfs/dbraw/zinc/14/11/11/279141111.db2.gz SPZUSFMHUHIQSW-UHFFFAOYSA-N 2 2 265.313 1.527 20 5 CDBDLP COc1cc(C[NH2+]CC[C@H](C)[NH+](C)C)c([N+](=O)[O-])cc1O ZINC000895298961 619528286 /nfs/dbraw/zinc/52/82/86/619528286.db2.gz CTAZNYQXAWUSTE-JTQLQIEISA-N 2 2 297.355 1.739 20 5 CDBDLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cccnc3[N+](=O)[O-])C[C@@H]2C1 ZINC000931442395 933563067 /nfs/dbraw/zinc/56/30/67/933563067.db2.gz FZZMMHTYDWVFND-YPMHNXCESA-N 2 2 276.340 1.373 20 5 CDBDLP C[N@H+]1CC[C@@H]2C[NH+](Cc3cccnc3[N+](=O)[O-])C[C@@H]2C1 ZINC000931442395 933563074 /nfs/dbraw/zinc/56/30/74/933563074.db2.gz FZZMMHTYDWVFND-YPMHNXCESA-N 2 2 276.340 1.373 20 5 CDBDLP C[NH+]1CC[C@@H]2C[N@H+](Cc3cccnc3[N+](=O)[O-])C[C@@H]2C1 ZINC000931442395 933563080 /nfs/dbraw/zinc/56/30/80/933563080.db2.gz FZZMMHTYDWVFND-YPMHNXCESA-N 2 2 276.340 1.373 20 5 CDBDLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccnc3[N+](=O)[O-])C[C@@H]2C1 ZINC000931442395 933563086 /nfs/dbraw/zinc/56/30/86/933563086.db2.gz FZZMMHTYDWVFND-YPMHNXCESA-N 2 2 276.340 1.373 20 5 CDBDLP O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CCn1cc[nH+]c1)C2 ZINC001254566387 947529087 /nfs/dbraw/zinc/52/90/87/947529087.db2.gz JPHIZTKOSHFQOV-CYBMUJFWSA-N 2 2 272.308 1.548 20 5 CDBDLP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246358327 948130389 /nfs/dbraw/zinc/13/03/89/948130389.db2.gz ORHGKXCTLVEUMX-DGCLKSJQSA-N 2 2 263.341 1.867 20 5 CDBDLP C[N@@H+]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000573684140 361923433 /nfs/dbraw/zinc/92/34/33/361923433.db2.gz RJRXNXAUGDMOMM-YVZNUBBCSA-N 2 2 290.367 1.183 20 5 CDBDLP C[N@H+]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000573684140 361923436 /nfs/dbraw/zinc/92/34/36/361923436.db2.gz RJRXNXAUGDMOMM-YVZNUBBCSA-N 2 2 290.367 1.183 20 5 CDBDLP Cc1noc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1[N+](=O)[O-] ZINC000595394645 343047368 /nfs/dbraw/zinc/04/73/68/343047368.db2.gz YHWRMKQZKDMXIU-JTQLQIEISA-N 2 2 291.311 1.614 20 5 CDBDLP Cc1noc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1[N+](=O)[O-] ZINC000595394645 343047370 /nfs/dbraw/zinc/04/73/70/343047370.db2.gz YHWRMKQZKDMXIU-JTQLQIEISA-N 2 2 291.311 1.614 20 5 CDBDLP Cc1ccc([C@@H](C)[NH2+]C[C@H](O)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000305162823 359050555 /nfs/dbraw/zinc/05/05/55/359050555.db2.gz XLIPCNMVONFRTM-YPMHNXCESA-N 2 2 281.356 1.476 20 5 CDBDLP O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000050015762 359276133 /nfs/dbraw/zinc/27/61/33/359276133.db2.gz KSPLQOZBCUPTII-CYBMUJFWSA-N 2 2 279.340 1.141 20 5 CDBDLP COc1ccc(C[N@H+](C)C2(C[NH3+])CCC2)cc1[N+](=O)[O-] ZINC000385105452 368031925 /nfs/dbraw/zinc/03/19/25/368031925.db2.gz BVDGXHFTAPYMOO-UHFFFAOYSA-N 2 2 279.340 1.917 20 5 CDBDLP COc1ccc(C[N@@H+](C)C2(C[NH3+])CCC2)cc1[N+](=O)[O-] ZINC000385105452 368031927 /nfs/dbraw/zinc/03/19/27/368031927.db2.gz BVDGXHFTAPYMOO-UHFFFAOYSA-N 2 2 279.340 1.917 20 5 CDBDLP [NH3+]C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420290205 244031060 /nfs/dbraw/zinc/03/10/60/244031060.db2.gz LOCNYLXXQPEAPL-ZDUSSCGKSA-N 2 2 292.339 1.347 20 5 CDBDLP [NH3+]C[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420290205 244031066 /nfs/dbraw/zinc/03/10/66/244031066.db2.gz LOCNYLXXQPEAPL-ZDUSSCGKSA-N 2 2 292.339 1.347 20 5 CDBDLP COc1cc(C[NH2+]C[C@@H]([NH3+])C2CC2)c([N+](=O)[O-])cc1OC ZINC000414901500 371072400 /nfs/dbraw/zinc/07/24/00/371072400.db2.gz XCOLAZLRBOHJLB-LLVKDONJSA-N 2 2 295.339 1.439 20 5 CDBDLP O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2C[NH2+]CCCO2)c(Cl)c1 ZINC000415032116 391247990 /nfs/dbraw/zinc/24/79/90/391247990.db2.gz FNVNYVWGSJFYHJ-GFCCVEGCSA-N 2 2 299.758 1.716 20 5 CDBDLP O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)c(F)c1 ZINC000415042554 391249705 /nfs/dbraw/zinc/24/97/05/391249705.db2.gz QQTMQQQKASQOSS-LBPRGKRZSA-N 2 2 283.303 1.202 20 5 CDBDLP CC[NH2+]CC[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000423251739 392960155 /nfs/dbraw/zinc/96/01/55/392960155.db2.gz WOUKPOKDMAJGQT-NSHDSACASA-N 2 2 294.355 1.511 20 5 CDBDLP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000261589120 140358287 /nfs/dbraw/zinc/35/82/87/140358287.db2.gz KLGVTVNSVCPSST-ZJUUUORDSA-N 2 2 267.304 1.903 20 5 CDBDLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000261589120 140358289 /nfs/dbraw/zinc/35/82/89/140358289.db2.gz KLGVTVNSVCPSST-ZJUUUORDSA-N 2 2 267.304 1.903 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000050247364 525461727 /nfs/dbraw/zinc/46/17/27/525461727.db2.gz BKIFLFSTWCMCIS-SNVBAGLBSA-N 2 2 265.313 1.384 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050247364 525461736 /nfs/dbraw/zinc/46/17/36/525461736.db2.gz BKIFLFSTWCMCIS-SNVBAGLBSA-N 2 2 265.313 1.384 20 5 CDBDLP Cc1[nH+]c2c(n1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC[NH2+]CC2 ZINC001169014449 927619249 /nfs/dbraw/zinc/61/92/49/927619249.db2.gz ZWIYVVUXGVDOOI-VXGBXAGGSA-N 2 2 278.356 1.498 20 5 CDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C[C@H](C)[NH3+] ZINC000863568721 929572588 /nfs/dbraw/zinc/57/25/88/929572588.db2.gz MDYYNMXBPYXOMN-NSHDSACASA-N 2 2 294.355 1.511 20 5 CDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)C[C@H](C)[NH3+] ZINC000863568721 929572594 /nfs/dbraw/zinc/57/25/94/929572594.db2.gz MDYYNMXBPYXOMN-NSHDSACASA-N 2 2 294.355 1.511 20 5 CDBDLP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001246545478 931673569 /nfs/dbraw/zinc/67/35/69/931673569.db2.gz WDMFUAMSMPCKSM-JTNHKYCSSA-N 2 2 263.341 1.947 20 5 CDBDLP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001246545478 931673570 /nfs/dbraw/zinc/67/35/70/931673570.db2.gz WDMFUAMSMPCKSM-JTNHKYCSSA-N 2 2 263.341 1.947 20 5 CDBDLP Cc1noc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)c1[N+](=O)[O-] ZINC000931441454 933563880 /nfs/dbraw/zinc/56/38/80/933563880.db2.gz IXIBFTXCHUBWBH-MNOVXSKESA-N 2 2 280.328 1.275 20 5 CDBDLP Cc1noc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)c1[N+](=O)[O-] ZINC000931441454 933563885 /nfs/dbraw/zinc/56/38/85/933563885.db2.gz IXIBFTXCHUBWBH-MNOVXSKESA-N 2 2 280.328 1.275 20 5 CDBDLP Cc1noc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c1[N+](=O)[O-] ZINC000931441454 933563890 /nfs/dbraw/zinc/56/38/90/933563890.db2.gz IXIBFTXCHUBWBH-MNOVXSKESA-N 2 2 280.328 1.275 20 5 CDBDLP Cc1noc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c1[N+](=O)[O-] ZINC000931441454 933563894 /nfs/dbraw/zinc/56/38/94/933563894.db2.gz IXIBFTXCHUBWBH-MNOVXSKESA-N 2 2 280.328 1.275 20 5 CDBDLP C[C@@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000601327576 342554181 /nfs/dbraw/zinc/55/41/81/342554181.db2.gz WVSRDKQAUXSINU-MWLCHTKSSA-N 2 2 265.313 1.327 20 5 CDBDLP C[C@@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000601327576 342554182 /nfs/dbraw/zinc/55/41/82/342554182.db2.gz WVSRDKQAUXSINU-MWLCHTKSSA-N 2 2 265.313 1.327 20 5 CDBDLP COc1cc(C[N@H+](C)CCC[NH3+])c([N+](=O)[O-])cc1OC ZINC000515061819 362043039 /nfs/dbraw/zinc/04/30/39/362043039.db2.gz ZIUDZUYTCUJILI-UHFFFAOYSA-N 2 2 283.328 1.393 20 5 CDBDLP COc1cc(C[N@@H+](C)CCC[NH3+])c([N+](=O)[O-])cc1OC ZINC000515061819 362043043 /nfs/dbraw/zinc/04/30/43/362043043.db2.gz ZIUDZUYTCUJILI-UHFFFAOYSA-N 2 2 283.328 1.393 20 5 CDBDLP COc1ccc(OCC[N@H+](C)CC(C)(C)[NH3+])c([N+](=O)[O-])c1 ZINC000595898851 343186169 /nfs/dbraw/zinc/18/61/69/343186169.db2.gz MQIUEPDTCHIOMI-UHFFFAOYSA-N 2 2 297.355 1.651 20 5 CDBDLP COc1ccc(OCC[N@@H+](C)CC(C)(C)[NH3+])c([N+](=O)[O-])c1 ZINC000595898851 343186171 /nfs/dbraw/zinc/18/61/71/343186171.db2.gz MQIUEPDTCHIOMI-UHFFFAOYSA-N 2 2 297.355 1.651 20 5 CDBDLP O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000267379658 360619904 /nfs/dbraw/zinc/61/99/04/360619904.db2.gz AQYIZTVTMOVTLX-NSHDSACASA-N 2 2 290.327 1.394 20 5 CDBDLP O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000267379658 360619910 /nfs/dbraw/zinc/61/99/10/360619910.db2.gz AQYIZTVTMOVTLX-NSHDSACASA-N 2 2 290.327 1.394 20 5 CDBDLP CC[NH+](CC)C[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174879702 364588021 /nfs/dbraw/zinc/58/80/21/364588021.db2.gz XHYFPVLIVYVHCW-CYBMUJFWSA-N 2 2 295.387 1.455 20 5 CDBDLP CC[NH+](CC)C[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174879702 364588025 /nfs/dbraw/zinc/58/80/25/364588025.db2.gz XHYFPVLIVYVHCW-CYBMUJFWSA-N 2 2 295.387 1.455 20 5 CDBDLP COC[C@]1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000414947433 370937148 /nfs/dbraw/zinc/93/71/48/370937148.db2.gz VBYHOEIIGAAMGA-CQSZACIVSA-N 2 2 279.340 1.453 20 5 CDBDLP [NH3+][C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000414893597 371032642 /nfs/dbraw/zinc/03/26/42/371032642.db2.gz RRUUYTZXXLKGGP-GFCCVEGCSA-N 2 2 253.277 1.561 20 5 CDBDLP COC[C@]1(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000414936845 371144428 /nfs/dbraw/zinc/14/44/28/371144428.db2.gz CHZFPUAKFAUKTJ-OAHLLOKOSA-N 2 2 293.367 1.761 20 5 CDBDLP COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1[N+](=O)[O-] ZINC000424334678 374408844 /nfs/dbraw/zinc/40/88/44/374408844.db2.gz NVHHWEITHNXIMW-VXGBXAGGSA-N 2 2 279.340 1.963 20 5 CDBDLP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000305119445 375553494 /nfs/dbraw/zinc/55/34/94/375553494.db2.gz JBWQGRZLTJGYPC-GXFFZTMASA-N 2 2 267.329 1.168 20 5 CDBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090320423 296240879 /nfs/dbraw/zinc/24/08/79/296240879.db2.gz JBENYCSBCMSASW-SDDRHHMPSA-N 2 2 261.325 1.807 20 5 CDBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090320423 296240881 /nfs/dbraw/zinc/24/08/81/296240881.db2.gz JBENYCSBCMSASW-SDDRHHMPSA-N 2 2 261.325 1.807 20 5 CDBDLP Cc1noc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1[N+](=O)[O-] ZINC000595375959 392561224 /nfs/dbraw/zinc/56/12/24/392561224.db2.gz FVQLHVZBSOWDJW-JTQLQIEISA-N 2 2 291.311 1.994 20 5 CDBDLP Cc1noc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1[N+](=O)[O-] ZINC000595375959 392561226 /nfs/dbraw/zinc/56/12/26/392561226.db2.gz FVQLHVZBSOWDJW-JTQLQIEISA-N 2 2 291.311 1.994 20 5 CDBDLP CCOc1ccc([C@@H](C)[NH2+]CC[NH3+])cc1[N+](=O)[O-] ZINC000423175775 392958172 /nfs/dbraw/zinc/95/81/72/392958172.db2.gz BIJRJCQFHFARAB-SECBINFHSA-N 2 2 253.302 1.603 20 5 CDBDLP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430935472 393105211 /nfs/dbraw/zinc/10/52/11/393105211.db2.gz UDGYHMFMJVPKTA-WDEREUQCSA-N 2 2 292.339 1.202 20 5 CDBDLP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430935472 393105218 /nfs/dbraw/zinc/10/52/18/393105218.db2.gz UDGYHMFMJVPKTA-WDEREUQCSA-N 2 2 292.339 1.202 20 5 CDBDLP C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CC[C@H]1[NH3+] ZINC000261575798 140354063 /nfs/dbraw/zinc/35/40/63/140354063.db2.gz BTQICWUOBJQIEB-NOZJJQNGSA-N 2 2 267.304 1.903 20 5 CDBDLP C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CC[C@H]1[NH3+] ZINC000261575798 140354065 /nfs/dbraw/zinc/35/40/65/140354065.db2.gz BTQICWUOBJQIEB-NOZJJQNGSA-N 2 2 267.304 1.903 20 5 CDBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](O)C[NH+](C)C ZINC000154309893 289201613 /nfs/dbraw/zinc/20/16/13/289201613.db2.gz UQTXMLKLYUMEND-AAEUAGOBSA-N 2 2 281.356 1.476 20 5 CDBDLP O=[N+]([O-])c1ncccc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000886839911 786849761 /nfs/dbraw/zinc/84/97/61/786849761.db2.gz ONAPYQGVSRXJCW-TZMCWYRMSA-N 2 2 290.367 1.954 20 5 CDBDLP O=[N+]([O-])c1ncccc1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000886839911 786849764 /nfs/dbraw/zinc/84/97/64/786849764.db2.gz ONAPYQGVSRXJCW-TZMCWYRMSA-N 2 2 290.367 1.954 20 5 CDBDLP O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000923330995 787366437 /nfs/dbraw/zinc/36/64/37/787366437.db2.gz GJRYQRNBAMCWOL-GJZGRUSLSA-N 2 2 291.351 1.314 20 5 CDBDLP O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000923330995 787366450 /nfs/dbraw/zinc/36/64/50/787366450.db2.gz GJRYQRNBAMCWOL-GJZGRUSLSA-N 2 2 291.351 1.314 20 5 CDBDLP Cc1[nH]c2ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc2[nH+]1 ZINC001228327889 942299856 /nfs/dbraw/zinc/29/98/56/942299856.db2.gz WYILIYOIKFQLEY-LLVKDONJSA-N 2 2 292.359 1.234 20 5 CDBDLP CCOc1cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000617196071 344997167 /nfs/dbraw/zinc/99/71/67/344997167.db2.gz NICVPALDTDLWNI-CHWSQXEVSA-N 2 2 291.351 1.645 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000168628094 361344842 /nfs/dbraw/zinc/34/48/42/361344842.db2.gz ZDSSAJHIAAOYEV-MNOVXSKESA-N 2 2 279.340 1.773 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000168628094 361344846 /nfs/dbraw/zinc/34/48/46/361344846.db2.gz ZDSSAJHIAAOYEV-MNOVXSKESA-N 2 2 279.340 1.773 20 5 CDBDLP C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]1 ZINC000581245703 363974881 /nfs/dbraw/zinc/97/48/81/363974881.db2.gz QBGDEXCXVORCTF-RISCZKNCSA-N 2 2 279.340 1.704 20 5 CDBDLP O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H]1CCC[NH2+]C1)CC2 ZINC000346844069 285142002 /nfs/dbraw/zinc/14/20/02/285142002.db2.gz KRILGBPBRBJGRY-GFCCVEGCSA-N 2 2 275.352 1.953 20 5 CDBDLP O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H]1CCC[NH2+]C1)CC2 ZINC000346844069 285142003 /nfs/dbraw/zinc/14/20/03/285142003.db2.gz KRILGBPBRBJGRY-GFCCVEGCSA-N 2 2 275.352 1.953 20 5 CDBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313344054 392944296 /nfs/dbraw/zinc/94/42/96/392944296.db2.gz DSKYVRJEMCFFFW-RYUDHWBXSA-N 2 2 279.340 1.705 20 5 CDBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313344054 392944298 /nfs/dbraw/zinc/94/42/98/392944298.db2.gz DSKYVRJEMCFFFW-RYUDHWBXSA-N 2 2 279.340 1.705 20 5 CDBDLP C[C@](C[NH3+])([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000430564080 393100645 /nfs/dbraw/zinc/10/06/45/393100645.db2.gz YHSGFOOJSYIGAM-CYBMUJFWSA-N 2 2 267.304 1.951 20 5 CDBDLP C[C@@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000570955334 294341294 /nfs/dbraw/zinc/34/12/94/294341294.db2.gz HOBDTXPLFBRTHT-NSHDSACASA-N 2 2 294.355 1.463 20 5 CDBDLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000133945284 796015446 /nfs/dbraw/zinc/01/54/46/796015446.db2.gz IEJHBJQYUIBDQQ-YPMHNXCESA-N 2 2 279.340 1.451 20 5 CDBDLP COCC[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CC[NH+](C)CC1 ZINC001169021919 927663017 /nfs/dbraw/zinc/66/30/17/927663017.db2.gz BCIGBRXJGHZQQY-UKRRQHHQSA-N 2 2 299.415 1.474 20 5 CDBDLP COCC[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CC[NH+](C)CC1 ZINC001169021919 927663024 /nfs/dbraw/zinc/66/30/24/927663024.db2.gz BCIGBRXJGHZQQY-UKRRQHHQSA-N 2 2 299.415 1.474 20 5 CDBDLP COCC[N@@H+]1CC[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000273084718 192038400 /nfs/dbraw/zinc/03/84/00/192038400.db2.gz LSPPQXOLYWCZIW-AWEZNQCLSA-N 2 2 293.367 1.448 20 5 CDBDLP COCC[N@H+]1CC[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000273084718 192038402 /nfs/dbraw/zinc/03/84/02/192038402.db2.gz LSPPQXOLYWCZIW-AWEZNQCLSA-N 2 2 293.367 1.448 20 5 CDBDLP C[NH2+]C[C@H](C)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000596104591 343228048 /nfs/dbraw/zinc/22/80/48/343228048.db2.gz GVGAIMIQPIWVPU-VIFPVBQESA-N 2 2 253.302 1.301 20 5 CDBDLP [NH3+][C@@]12CCC[C@@H]1C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000598682867 343864375 /nfs/dbraw/zinc/86/43/75/343864375.db2.gz POIYGBWWYNCEMJ-IUODEOHRSA-N 2 2 291.351 1.787 20 5 CDBDLP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000598682867 343864379 /nfs/dbraw/zinc/86/43/79/343864379.db2.gz POIYGBWWYNCEMJ-IUODEOHRSA-N 2 2 291.351 1.787 20 5 CDBDLP O=[N+]([O-])c1ccn(CC[N@@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000584460324 357636316 /nfs/dbraw/zinc/63/63/16/357636316.db2.gz WYSZISGQFAKXPY-STQMWFEESA-N 2 2 293.371 1.398 20 5 CDBDLP O=[N+]([O-])c1ccn(CC[N@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000584460324 357636321 /nfs/dbraw/zinc/63/63/21/357636321.db2.gz WYSZISGQFAKXPY-STQMWFEESA-N 2 2 293.371 1.398 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000168627800 361345314 /nfs/dbraw/zinc/34/53/14/361345314.db2.gz ZDSSAJHIAAOYEV-WDEREUQCSA-N 2 2 279.340 1.773 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000168627800 361345320 /nfs/dbraw/zinc/34/53/20/361345320.db2.gz ZDSSAJHIAAOYEV-WDEREUQCSA-N 2 2 279.340 1.773 20 5 CDBDLP CC[NH2+]CC[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000414830500 370451031 /nfs/dbraw/zinc/45/10/31/370451031.db2.gz OEPCZBWHNXUQIT-NSHDSACASA-N 2 2 294.355 1.511 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000131654384 375305721 /nfs/dbraw/zinc/30/57/21/375305721.db2.gz NHQXYUCBJCTJLI-GHMZBOCLSA-N 2 2 279.340 1.773 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000131654384 375305728 /nfs/dbraw/zinc/30/57/28/375305728.db2.gz NHQXYUCBJCTJLI-GHMZBOCLSA-N 2 2 279.340 1.773 20 5 CDBDLP CCOc1ccc([C@@H](C)[NH2+][C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000423379349 392962828 /nfs/dbraw/zinc/96/28/28/392962828.db2.gz XFVWFOCBJAGAKC-VHSXEESVSA-N 2 2 267.329 1.991 20 5 CDBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000423556165 392964650 /nfs/dbraw/zinc/96/46/50/392964650.db2.gz HWBGLODFTJIWCO-WCQYABFASA-N 2 2 279.340 1.104 20 5 CDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430924458 393105380 /nfs/dbraw/zinc/10/53/80/393105380.db2.gz IGEYVPIYBXSXFY-LLVKDONJSA-N 2 2 292.339 1.122 20 5 CDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430924458 393105383 /nfs/dbraw/zinc/10/53/83/393105383.db2.gz IGEYVPIYBXSXFY-LLVKDONJSA-N 2 2 292.339 1.122 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261707769 140379313 /nfs/dbraw/zinc/37/93/13/140379313.db2.gz OYDYZTNRPXDQMA-WCQYABFASA-N 2 2 291.351 1.645 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261707769 140379314 /nfs/dbraw/zinc/37/93/14/140379314.db2.gz OYDYZTNRPXDQMA-WCQYABFASA-N 2 2 291.351 1.645 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261799119 140390443 /nfs/dbraw/zinc/39/04/43/140390443.db2.gz YNYLRVLOOKIGBX-OAHLLOKOSA-N 2 2 291.351 1.789 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261799119 140390444 /nfs/dbraw/zinc/39/04/44/140390444.db2.gz YNYLRVLOOKIGBX-OAHLLOKOSA-N 2 2 291.351 1.789 20 5 CDBDLP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)CCC2 ZINC000423543179 275038491 /nfs/dbraw/zinc/03/84/91/275038491.db2.gz BOIFUCFWTUPEJA-UKRRQHHQSA-N 2 2 291.351 1.550 20 5 CDBDLP [NH3+]CC[N@H+](Cc1ccccc1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168956636 927578279 /nfs/dbraw/zinc/57/82/79/927578279.db2.gz CBZLWWZQJURPFT-GJZGRUSLSA-N 2 2 277.368 1.893 20 5 CDBDLP [NH3+]CC[N@@H+](Cc1ccccc1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168956636 927578284 /nfs/dbraw/zinc/57/82/84/927578284.db2.gz CBZLWWZQJURPFT-GJZGRUSLSA-N 2 2 277.368 1.893 20 5 CDBDLP O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCCn2cc[nH+]c2)C1 ZINC001168958826 927579892 /nfs/dbraw/zinc/57/98/92/927579892.db2.gz QDMNLWLKBBVJBC-NEPJUHHUSA-N 2 2 252.318 1.308 20 5 CDBDLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817981249 930659239 /nfs/dbraw/zinc/65/92/39/930659239.db2.gz HWPPXWBECUGENA-JQWIXIFHSA-N 2 2 294.355 1.206 20 5 CDBDLP O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCn2cc[nH+]c2)cc1 ZINC000105909054 1163694828 /nfs/dbraw/zinc/69/48/28/1163694828.db2.gz BTJHEKGQCRONNO-ZDUSSCGKSA-N 2 2 276.296 1.115 20 5 CDBDLP C[N@H+](CCC[NH3+])Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000592473894 342698765 /nfs/dbraw/zinc/69/87/65/342698765.db2.gz SYHRKPUICXSIIF-UHFFFAOYSA-N 2 2 291.311 1.425 20 5 CDBDLP C[N@@H+](CCC[NH3+])Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000592473894 342698766 /nfs/dbraw/zinc/69/87/66/342698766.db2.gz SYHRKPUICXSIIF-UHFFFAOYSA-N 2 2 291.311 1.425 20 5 CDBDLP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC000598680425 343863786 /nfs/dbraw/zinc/86/37/86/343863786.db2.gz BOVXBAYCDVHSNN-TZMCWYRMSA-N 2 2 261.325 1.908 20 5 CDBDLP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC000598680425 343863788 /nfs/dbraw/zinc/86/37/88/343863788.db2.gz BOVXBAYCDVHSNN-TZMCWYRMSA-N 2 2 261.325 1.908 20 5 CDBDLP C[NH2+]CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000423242844 392960092 /nfs/dbraw/zinc/96/00/92/392960092.db2.gz JKKNELRIMUIFHP-GHMZBOCLSA-N 2 2 267.333 1.084 20 5 CDBDLP O=C(CC[N@@H+]1CCC[NH2+]CC1)Nc1ccccc1[N+](=O)[O-] ZINC000430955439 393107186 /nfs/dbraw/zinc/10/71/86/393107186.db2.gz AEEFJULRXSTCTH-UHFFFAOYSA-N 2 2 292.339 1.219 20 5 CDBDLP O=C(CC[N@H+]1CCC[NH2+]CC1)Nc1ccccc1[N+](=O)[O-] ZINC000430955439 393107190 /nfs/dbraw/zinc/10/71/90/393107190.db2.gz AEEFJULRXSTCTH-UHFFFAOYSA-N 2 2 292.339 1.219 20 5 CDBDLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3csc([N+](=O)[O-])c3)C[C@H]12 ZINC000261588948 140357724 /nfs/dbraw/zinc/35/77/24/140357724.db2.gz VYZDIKAJKWCQSH-OUAUKWLOSA-N 2 2 267.354 1.825 20 5 CDBDLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3csc([N+](=O)[O-])c3)C[C@H]12 ZINC000261588948 140357725 /nfs/dbraw/zinc/35/77/25/140357725.db2.gz VYZDIKAJKWCQSH-OUAUKWLOSA-N 2 2 267.354 1.825 20 5 CDBDLP [NH3+]C[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000261590905 140358800 /nfs/dbraw/zinc/35/88/00/140358800.db2.gz LSBOGGRBQOCCKM-SNVBAGLBSA-N 2 2 267.304 1.905 20 5 CDBDLP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000261590905 140358802 /nfs/dbraw/zinc/35/88/02/140358802.db2.gz LSBOGGRBQOCCKM-SNVBAGLBSA-N 2 2 267.304 1.905 20 5 CDBDLP O=[N+]([O-])c1cccc(C[NH2+]CCCn2cc[nH+]c2)c1 ZINC000039170045 174164841 /nfs/dbraw/zinc/16/48/41/174164841.db2.gz BKUBVRWPHDGTEI-UHFFFAOYSA-N 2 2 260.297 1.971 20 5 CDBDLP Cc1c(C[N@@H+]2CCCO[C@@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000313361781 260287390 /nfs/dbraw/zinc/28/73/90/260287390.db2.gz XBUGHXNRCNYHPY-ZDUSSCGKSA-N 2 2 279.340 1.453 20 5 CDBDLP Cc1c(C[N@H+]2CCCO[C@@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000313361781 260287392 /nfs/dbraw/zinc/28/73/92/260287392.db2.gz XBUGHXNRCNYHPY-ZDUSSCGKSA-N 2 2 279.340 1.453 20 5 CDBDLP Cc1[nH+]cc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)n1C ZINC000574412686 294996924 /nfs/dbraw/zinc/99/69/24/294996924.db2.gz DURVOFADAJPMGL-UHFFFAOYSA-N 2 2 274.324 1.969 20 5 CDBDLP COc1ccc(C[NH2+]Cc2c[nH+]c(C)n2C)cc1[N+](=O)[O-] ZINC000584124315 327046146 /nfs/dbraw/zinc/04/61/46/327046146.db2.gz BBCQIMWGQOXRAW-UHFFFAOYSA-N 2 2 290.323 1.935 20 5 CDBDLP Cc1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000358166584 524583804 /nfs/dbraw/zinc/58/38/04/524583804.db2.gz MKCWSXLGISTMHH-CQSZACIVSA-N 2 2 279.340 1.059 20 5 CDBDLP Cc1ccc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000358166584 524583811 /nfs/dbraw/zinc/58/38/11/524583811.db2.gz MKCWSXLGISTMHH-CQSZACIVSA-N 2 2 279.340 1.059 20 5 CDBDLP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1ccc([N+](=O)[O-])cc1 ZINC000068802072 525399154 /nfs/dbraw/zinc/39/91/54/525399154.db2.gz DNBZWBQBXXUICB-SWLSCSKDSA-N 2 2 292.383 1.491 20 5 CDBDLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1ccc([N+](=O)[O-])cc1 ZINC000068802072 525399164 /nfs/dbraw/zinc/39/91/64/525399164.db2.gz DNBZWBQBXXUICB-SWLSCSKDSA-N 2 2 292.383 1.491 20 5 CDBDLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1ccc([N+](=O)[O-])cc1 ZINC000068802077 525484949 /nfs/dbraw/zinc/48/49/49/525484949.db2.gz DNBZWBQBXXUICB-IUODEOHRSA-N 2 2 292.383 1.491 20 5 CDBDLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1ccc([N+](=O)[O-])cc1 ZINC000068802077 525484957 /nfs/dbraw/zinc/48/49/57/525484957.db2.gz DNBZWBQBXXUICB-IUODEOHRSA-N 2 2 292.383 1.491 20 5 CDBDLP O=[N+]([O-])CC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000899871796 622497002 /nfs/dbraw/zinc/49/70/02/622497002.db2.gz VOPBNPWILIYCIM-UHFFFAOYSA-N 2 2 277.368 1.560 20 5 CDBDLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000133799866 805228994 /nfs/dbraw/zinc/22/89/94/805228994.db2.gz DPLXONOSDCPEJT-DGCLKSJQSA-N 2 2 279.340 1.451 20 5 CDBDLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818959074 811363099 /nfs/dbraw/zinc/36/30/99/811363099.db2.gz BYUQVKQEWIUAAN-FZMZJTMJSA-N 2 2 290.323 1.503 20 5 CDBDLP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246568982 948289153 /nfs/dbraw/zinc/28/91/53/948289153.db2.gz UGCILCPMIJGXDY-JTNHKYCSSA-N 2 2 263.341 1.805 20 5 CDBDLP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246568982 948289155 /nfs/dbraw/zinc/28/91/55/948289155.db2.gz UGCILCPMIJGXDY-JTNHKYCSSA-N 2 2 263.341 1.805 20 5 CDBDLP O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCC[NH2+]CC2)cs1 ZINC000591278537 342624219 /nfs/dbraw/zinc/62/42/19/342624219.db2.gz LPLNFUPGSSHLJH-SNVBAGLBSA-N 2 2 255.343 1.888 20 5 CDBDLP C[N@H+](CCC[NH3+])Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000592473519 342698528 /nfs/dbraw/zinc/69/85/28/342698528.db2.gz ADQOWOLNEGVGQQ-UHFFFAOYSA-N 2 2 264.285 1.517 20 5 CDBDLP C[N@@H+](CCC[NH3+])Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000592473519 342698529 /nfs/dbraw/zinc/69/85/29/342698529.db2.gz ADQOWOLNEGVGQQ-UHFFFAOYSA-N 2 2 264.285 1.517 20 5 CDBDLP C[N@H+](CCOCC[NH3+])Cc1ccc([N+](=O)[O-])cc1F ZINC000600734979 342246076 /nfs/dbraw/zinc/24/60/76/342246076.db2.gz JDSLHBYFFLUDQC-UHFFFAOYSA-N 2 2 271.292 1.141 20 5 CDBDLP C[N@@H+](CCOCC[NH3+])Cc1ccc([N+](=O)[O-])cc1F ZINC000600734979 342246077 /nfs/dbraw/zinc/24/60/77/342246077.db2.gz JDSLHBYFFLUDQC-UHFFFAOYSA-N 2 2 271.292 1.141 20 5 CDBDLP CC[NH+](CC)C[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174879689 364587634 /nfs/dbraw/zinc/58/76/34/364587634.db2.gz XHYFPVLIVYVHCW-ZDUSSCGKSA-N 2 2 295.387 1.455 20 5 CDBDLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174879689 364587639 /nfs/dbraw/zinc/58/76/39/364587639.db2.gz XHYFPVLIVYVHCW-ZDUSSCGKSA-N 2 2 295.387 1.455 20 5 CDBDLP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000332658211 375041314 /nfs/dbraw/zinc/04/13/14/375041314.db2.gz ANYMILRONJOGMK-HIFRSBDPSA-N 2 2 293.367 1.484 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000131655030 375306601 /nfs/dbraw/zinc/30/66/01/375306601.db2.gz NHQXYUCBJCTJLI-QWRGUYRKSA-N 2 2 279.340 1.773 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000131655030 375306606 /nfs/dbraw/zinc/30/66/06/375306606.db2.gz NHQXYUCBJCTJLI-QWRGUYRKSA-N 2 2 279.340 1.773 20 5 CDBDLP O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+][C@H]2CCC[NH2+]C2)n1 ZINC000423303857 285169768 /nfs/dbraw/zinc/16/97/68/285169768.db2.gz MRLYJRRUBZJRKM-XQQFMLRXSA-N 2 2 293.371 1.617 20 5 CDBDLP CN(C(=O)C[NH2+]CC1([NH3+])CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000342133144 130292711 /nfs/dbraw/zinc/29/27/11/130292711.db2.gz JRWSARNMYZQZGU-UHFFFAOYSA-N 2 2 292.339 1.029 20 5 CDBDLP C[C@](C[NH3+])([NH2+]Cc1csc([N+](=O)[O-])c1)C1CC1 ZINC000430563485 393100622 /nfs/dbraw/zinc/10/06/22/393100622.db2.gz WEQWUIYNEOSSRB-LLVKDONJSA-N 2 2 255.343 1.873 20 5 CDBDLP Cc1c(NC(=O)CC[N@@H+](C)[C@@H](C)C[NH3+])cccc1[N+](=O)[O-] ZINC000430942759 393107565 /nfs/dbraw/zinc/10/75/65/393107565.db2.gz DYDZXDWWOICBKS-JTQLQIEISA-N 2 2 294.355 1.511 20 5 CDBDLP Cc1c(NC(=O)CC[N@H+](C)[C@@H](C)C[NH3+])cccc1[N+](=O)[O-] ZINC000430942759 393107572 /nfs/dbraw/zinc/10/75/72/393107572.db2.gz DYDZXDWWOICBKS-JTQLQIEISA-N 2 2 294.355 1.511 20 5 CDBDLP C[C@@]1(C[NH3+])CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000261796870 140390381 /nfs/dbraw/zinc/39/03/81/140390381.db2.gz NYRPIXHYNAFSJS-AWEZNQCLSA-N 2 2 290.323 1.907 20 5 CDBDLP C[C@@]1(C[NH3+])CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000261796870 140390382 /nfs/dbraw/zinc/39/03/82/140390382.db2.gz NYRPIXHYNAFSJS-AWEZNQCLSA-N 2 2 290.323 1.907 20 5 CDBDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCn1ccc([N+](=O)[O-])n1 ZINC000177308311 276234266 /nfs/dbraw/zinc/23/42/66/276234266.db2.gz BXPQFMIVQQBACM-OLZOCXBDSA-N 2 2 293.371 1.350 20 5 CDBDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCn1ccc([N+](=O)[O-])n1 ZINC000177308311 276234267 /nfs/dbraw/zinc/23/42/67/276234267.db2.gz BXPQFMIVQQBACM-OLZOCXBDSA-N 2 2 293.371 1.350 20 5 CDBDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCn1ccc([N+](=O)[O-])n1 ZINC000177308311 276234268 /nfs/dbraw/zinc/23/42/68/276234268.db2.gz BXPQFMIVQQBACM-OLZOCXBDSA-N 2 2 293.371 1.350 20 5 CDBDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCn1ccc([N+](=O)[O-])n1 ZINC000177308311 276234270 /nfs/dbraw/zinc/23/42/70/276234270.db2.gz BXPQFMIVQQBACM-OLZOCXBDSA-N 2 2 293.371 1.350 20 5 CDBDLP Cc1c(F)cnc(NC(=[NH2+])N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC001168735466 921838708 /nfs/dbraw/zinc/83/87/08/921838708.db2.gz QCPCUDWWLFCULC-UHFFFAOYSA-N 2 2 296.306 1.031 20 5 CDBDLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cc([N+](=O)[O-])ccc1Cl ZINC001169074612 927690210 /nfs/dbraw/zinc/69/02/10/927690210.db2.gz UKMLKVHOZAGYCL-MRVPVSSYSA-N 2 2 296.714 1.296 20 5 CDBDLP CC1(C[NH3+])C[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001246596870 932049293 /nfs/dbraw/zinc/04/92/93/932049293.db2.gz KONDNDMMRYNDFA-ZDUSSCGKSA-N 2 2 261.325 1.343 20 5 CDBDLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000596107158 343228879 /nfs/dbraw/zinc/22/88/79/343228879.db2.gz SBBKRTUUHLWEGW-WDEREUQCSA-N 2 2 294.355 1.509 20 5 CDBDLP CCOc1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000617196070 344997410 /nfs/dbraw/zinc/99/74/10/344997410.db2.gz NICVPALDTDLWNI-BETUJISGSA-N 2 2 291.351 1.645 20 5 CDBDLP CCOc1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000617196070 344997412 /nfs/dbraw/zinc/99/74/12/344997412.db2.gz NICVPALDTDLWNI-BETUJISGSA-N 2 2 291.351 1.645 20 5 CDBDLP O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000112839620 366160000 /nfs/dbraw/zinc/16/00/00/366160000.db2.gz ASELPBHSONJWDK-HUUCEWRRSA-N 2 2 291.351 1.548 20 5 CDBDLP O=[N+]([O-])c1ccccc1C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000112839640 366160362 /nfs/dbraw/zinc/16/03/62/366160362.db2.gz IEHVBBOTWJJUCH-KGLIPLIRSA-N 2 2 291.351 1.548 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261868846 357337663 /nfs/dbraw/zinc/33/76/63/357337663.db2.gz YRPVCZTXCKSPDF-CQSZACIVSA-N 2 2 279.340 1.774 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261868846 357337668 /nfs/dbraw/zinc/33/76/68/357337668.db2.gz YRPVCZTXCKSPDF-CQSZACIVSA-N 2 2 279.340 1.774 20 5 CDBDLP O=[N+]([O-])c1ccc(CC[NH2+]CCn2cc[nH+]c2)cc1 ZINC000049077170 361445765 /nfs/dbraw/zinc/44/57/65/361445765.db2.gz LOYHKZQJBSQBJP-UHFFFAOYSA-N 2 2 260.297 1.624 20 5 CDBDLP C[NH2+]CC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000414836870 367121610 /nfs/dbraw/zinc/12/16/10/367121610.db2.gz WQSPXWPVVITSNV-UHFFFAOYSA-N 2 2 289.339 1.304 20 5 CDBDLP Cc1c([C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000330874876 203340398 /nfs/dbraw/zinc/34/03/98/203340398.db2.gz ISLVUCBVCVTNIP-IUODEOHRSA-N 2 2 293.367 1.620 20 5 CDBDLP Cc1c([C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000330874876 203340401 /nfs/dbraw/zinc/34/04/01/203340401.db2.gz ISLVUCBVCVTNIP-IUODEOHRSA-N 2 2 293.367 1.620 20 5 CDBDLP COc1ccc(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)cc1[N+](=O)[O-] ZINC000414932447 371143802 /nfs/dbraw/zinc/14/38/02/371143802.db2.gz RCTLLKLNXZZWMO-PWSUYJOCSA-N 2 2 279.340 1.691 20 5 CDBDLP Cc1c(C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)cccc1[N+](=O)[O-] ZINC000314789691 371203652 /nfs/dbraw/zinc/20/36/52/371203652.db2.gz UOGUVUJBZCXHFG-CQSZACIVSA-N 2 2 293.367 1.448 20 5 CDBDLP Cc1c(C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)cccc1[N+](=O)[O-] ZINC000314789691 371203658 /nfs/dbraw/zinc/20/36/58/371203658.db2.gz UOGUVUJBZCXHFG-CQSZACIVSA-N 2 2 293.367 1.448 20 5 CDBDLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000423506510 245864060 /nfs/dbraw/zinc/86/40/60/245864060.db2.gz HATZEQORPVVGGR-RISCZKNCSA-N 2 2 279.340 1.624 20 5 CDBDLP C[NH+](C)C[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000113515283 374261055 /nfs/dbraw/zinc/26/10/55/374261055.db2.gz QDOSERGJAGVODS-ZDUSSCGKSA-N 2 2 293.367 1.857 20 5 CDBDLP C[NH+](C)C[C@@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000113515283 374261060 /nfs/dbraw/zinc/26/10/60/374261060.db2.gz QDOSERGJAGVODS-ZDUSSCGKSA-N 2 2 293.367 1.857 20 5 CDBDLP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000113513297 374261835 /nfs/dbraw/zinc/26/18/35/374261835.db2.gz GXEIDEFSBGTMOU-CYBMUJFWSA-N 2 2 263.341 1.978 20 5 CDBDLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000113513297 374261841 /nfs/dbraw/zinc/26/18/41/374261841.db2.gz GXEIDEFSBGTMOU-CYBMUJFWSA-N 2 2 263.341 1.978 20 5 CDBDLP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CCC[NH2+]C2)n1 ZINC000423189161 374372032 /nfs/dbraw/zinc/37/20/32/374372032.db2.gz MRLYJRRUBZJRKM-FRRDWIJNSA-N 2 2 293.371 1.617 20 5 CDBDLP O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428041002 247234605 /nfs/dbraw/zinc/23/46/05/247234605.db2.gz YWUVKZQLHLUMKR-STQMWFEESA-N 2 2 291.351 1.657 20 5 CDBDLP O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428041002 247234607 /nfs/dbraw/zinc/23/46/07/247234607.db2.gz YWUVKZQLHLUMKR-STQMWFEESA-N 2 2 291.351 1.657 20 5 CDBDLP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000266869219 378084212 /nfs/dbraw/zinc/08/42/12/378084212.db2.gz MSDKNKCMPQIAKX-WFASDCNBSA-N 2 2 293.367 1.702 20 5 CDBDLP Cc1ccc(C[NH2+]CCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000041063698 379322079 /nfs/dbraw/zinc/32/20/79/379322079.db2.gz DWUNQHCYDOTRBS-UHFFFAOYSA-N 2 2 260.297 1.890 20 5 CDBDLP COCC[NH2+]CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000423320149 392960611 /nfs/dbraw/zinc/96/06/11/392960611.db2.gz DCXBTXILVHRNHT-GFCCVEGCSA-N 2 2 281.356 1.790 20 5 CDBDLP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)CCC2 ZINC000423543181 392964410 /nfs/dbraw/zinc/96/44/10/392964410.db2.gz BOIFUCFWTUPEJA-ZFWWWQNUSA-N 2 2 291.351 1.550 20 5 CDBDLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000430552508 393100455 /nfs/dbraw/zinc/10/04/55/393100455.db2.gz RTJGKOOSZQFJFL-CQSZACIVSA-N 2 2 294.355 1.496 20 5 CDBDLP COc1ccc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1[N+](=O)[O-] ZINC000415045205 280739647 /nfs/dbraw/zinc/73/96/47/280739647.db2.gz SYARJUFXYIWLJU-LBPRGKRZSA-N 2 2 295.339 1.072 20 5 CDBDLP C[C@@H]([NH3+])C[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000863568792 827921628 /nfs/dbraw/zinc/92/16/28/827921628.db2.gz MWZXQTKRIAFHFA-SNVBAGLBSA-N 2 2 280.328 1.202 20 5 CDBDLP C[C@@H]([NH3+])C[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000863568792 827921640 /nfs/dbraw/zinc/92/16/40/827921640.db2.gz MWZXQTKRIAFHFA-SNVBAGLBSA-N 2 2 280.328 1.202 20 5 CDBDLP Cc1cc(COC(=O)C[C@@H](O)C[N+](C)(C)C)cc(C)[nH+]1 ZINC001223418727 901449463 /nfs/dbraw/zinc/44/94/63/901449463.db2.gz ACXFLBNSTROJSN-CQSZACIVSA-N 2 2 281.376 1.199 20 5 CDBDLP C[NH+]1CCN(C(=[NH2+])Nc2nccc(Cl)c2[N+](=O)[O-])CC1 ZINC001157910780 938561441 /nfs/dbraw/zinc/56/14/41/938561441.db2.gz RAONZXUPNVUIHB-UHFFFAOYSA-N 2 2 298.734 1.237 20 5 CDBDLP C[NH2+][C@H](C)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC001348514155 966034160 /nfs/dbraw/zinc/03/41/60/966034160.db2.gz BMIBYCJYOFBUMG-SECBINFHSA-N 2 2 255.293 1.822 20 5 CDBDLP CC[N@H+](C)C[C@@H](O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000580842060 363948690 /nfs/dbraw/zinc/94/86/90/363948690.db2.gz VAPCSJVWXAEGFE-LBPRGKRZSA-N 2 2 295.383 1.732 20 5 CDBDLP CC[N@@H+](C)C[C@@H](O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000580842060 363948695 /nfs/dbraw/zinc/94/86/95/363948695.db2.gz VAPCSJVWXAEGFE-LBPRGKRZSA-N 2 2 295.383 1.732 20 5 CDBDLP O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1CCC[NH2+]C1 ZINC000414861094 370898248 /nfs/dbraw/zinc/89/82/48/370898248.db2.gz DXMPMRUOQOJAAL-VUUYWXRKSA-N 2 2 261.325 1.950 20 5 CDBDLP [NH3+]C[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])CCCO1 ZINC000420383831 244181267 /nfs/dbraw/zinc/18/12/67/244181267.db2.gz FUBUVCNSEGXGQH-GFCCVEGCSA-N 2 2 295.339 1.023 20 5 CDBDLP [NH3+]C[C@@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])CCCO1 ZINC000420383831 244181275 /nfs/dbraw/zinc/18/12/75/244181275.db2.gz FUBUVCNSEGXGQH-GFCCVEGCSA-N 2 2 295.339 1.023 20 5 CDBDLP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CC[NH2+]C1 ZINC000414891792 369280185 /nfs/dbraw/zinc/28/01/85/369280185.db2.gz XFRKMASMJYXUPX-JQWIXIFHSA-N 2 2 292.339 1.263 20 5 CDBDLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000423487762 374384987 /nfs/dbraw/zinc/38/49/87/374384987.db2.gz XTXNJEOAVMXHCS-FZMZJTMJSA-N 2 2 278.356 1.149 20 5 CDBDLP Cc1ccc([C@H](C)[NH2+]C[C@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000423530189 374389126 /nfs/dbraw/zinc/38/91/26/374389126.db2.gz WONOWGGOUKSVDD-WCQYABFASA-N 2 2 279.340 1.542 20 5 CDBDLP Cc1ccc(C[N@@H+]2CCCO[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000415118207 391259849 /nfs/dbraw/zinc/25/98/49/391259849.db2.gz XTQZCCJVMCBWSG-CYBMUJFWSA-N 2 2 279.340 1.453 20 5 CDBDLP Cc1ccc(C[N@H+]2CCCO[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000415118207 391259851 /nfs/dbraw/zinc/25/98/51/391259851.db2.gz XTQZCCJVMCBWSG-CYBMUJFWSA-N 2 2 279.340 1.453 20 5 CDBDLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000442762037 392491789 /nfs/dbraw/zinc/49/17/89/392491789.db2.gz ZPMIZKGIDRBBEV-NXEZZACHSA-N 2 2 290.323 1.905 20 5 CDBDLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000442762037 392491798 /nfs/dbraw/zinc/49/17/98/392491798.db2.gz ZPMIZKGIDRBBEV-NXEZZACHSA-N 2 2 290.323 1.905 20 5 CDBDLP C[C@@H](CC[NH+]1CCOCC1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000124243005 286809468 /nfs/dbraw/zinc/80/94/68/286809468.db2.gz YIGLQAGCGXERIJ-ZDUSSCGKSA-N 2 2 293.367 1.795 20 5 CDBDLP Cc1cc([N+](=O)[O-])cnc1NCC[NH+]1CCC([NH3+])CC1 ZINC000721985238 832818107 /nfs/dbraw/zinc/81/81/07/832818107.db2.gz IQKCBOLNYIUUQR-UHFFFAOYSA-N 2 2 279.344 1.133 20 5 CDBDLP C[NH+](C)C1(CNc2cccc([N+](=O)[O-])n2)CC[NH+](C)CC1 ZINC001156176993 938329211 /nfs/dbraw/zinc/32/92/11/938329211.db2.gz XQKZYZOSBXWDRM-UHFFFAOYSA-N 2 2 293.371 1.428 20 5 CDBDLP [NH3+][C@@]12C[C@@H]1CC[N@@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001246657538 948392932 /nfs/dbraw/zinc/39/29/32/948392932.db2.gz OJPCEQUUELGAHO-AEGPPILISA-N 2 2 273.336 1.485 20 5 CDBDLP [NH3+][C@@]12C[C@@H]1CC[N@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001246657538 948392939 /nfs/dbraw/zinc/39/29/39/948392939.db2.gz OJPCEQUUELGAHO-AEGPPILISA-N 2 2 273.336 1.485 20 5 CDBDLP [NH3+]C1(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCC1 ZINC000591278209 342624191 /nfs/dbraw/zinc/62/41/91/342624191.db2.gz OTPADYRNAIRTTQ-UHFFFAOYSA-N 2 2 293.323 1.337 20 5 CDBDLP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CC[NH2+]C2CC2)n1 ZINC000591577289 342637819 /nfs/dbraw/zinc/63/78/19/342637819.db2.gz MKGMCSOIGLNNSI-QWHCGFSZSA-N 2 2 293.371 1.617 20 5 CDBDLP C[N@@H+]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000573684131 361923944 /nfs/dbraw/zinc/92/39/44/361923944.db2.gz RJRXNXAUGDMOMM-KXQLTZBTSA-N 2 2 290.367 1.183 20 5 CDBDLP C[N@H+]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000573684131 361923947 /nfs/dbraw/zinc/92/39/47/361923947.db2.gz RJRXNXAUGDMOMM-KXQLTZBTSA-N 2 2 290.367 1.183 20 5 CDBDLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293834774 375039385 /nfs/dbraw/zinc/03/93/85/375039385.db2.gz SOUDIMAQBOJZKD-ZYHUDNBSSA-N 2 2 278.356 1.922 20 5 CDBDLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293834774 375039395 /nfs/dbraw/zinc/03/93/95/375039395.db2.gz SOUDIMAQBOJZKD-ZYHUDNBSSA-N 2 2 278.356 1.922 20 5 CDBDLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000131707317 375324209 /nfs/dbraw/zinc/32/42/09/375324209.db2.gz RLUARGDDCSJJHK-WDEREUQCSA-N 2 2 292.339 1.202 20 5 CDBDLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000131707317 375324217 /nfs/dbraw/zinc/32/42/17/375324217.db2.gz RLUARGDDCSJJHK-WDEREUQCSA-N 2 2 292.339 1.202 20 5 CDBDLP O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000415091913 391014353 /nfs/dbraw/zinc/01/43/53/391014353.db2.gz DLYHQJSEOQURBX-DXTPNHAXSA-N 2 2 277.324 1.186 20 5 CDBDLP O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261574448 140352877 /nfs/dbraw/zinc/35/28/77/140352877.db2.gz BCZYFJHDPHNLEA-CQSZACIVSA-N 2 2 261.325 1.780 20 5 CDBDLP O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261574448 140352878 /nfs/dbraw/zinc/35/28/78/140352878.db2.gz BCZYFJHDPHNLEA-CQSZACIVSA-N 2 2 261.325 1.780 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261728050 140381800 /nfs/dbraw/zinc/38/18/00/140381800.db2.gz QWAMRNNICQAGST-BXUZGUMPSA-N 2 2 291.351 1.787 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261728050 140381801 /nfs/dbraw/zinc/38/18/01/140381801.db2.gz QWAMRNNICQAGST-BXUZGUMPSA-N 2 2 291.351 1.787 20 5 CDBDLP C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]1 ZINC000581245702 324689937 /nfs/dbraw/zinc/68/99/37/324689937.db2.gz QBGDEXCXVORCTF-FZMZJTMJSA-N 2 2 279.340 1.704 20 5 CDBDLP O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCCn2cc[nH+]c2)c1 ZINC000749647537 576956606 /nfs/dbraw/zinc/95/66/06/576956606.db2.gz NRSQJZXDAWJTKK-AWEZNQCLSA-N 2 2 290.323 1.505 20 5 CDBDLP C[C@@H]1C[N@H+](Cc2cccnc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000886841171 835756295 /nfs/dbraw/zinc/75/62/95/835756295.db2.gz DLPUVMAHELPALX-MWLCHTKSSA-N 2 2 250.302 1.016 20 5 CDBDLP C[C@@H]1C[N@@H+](Cc2cccnc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000886841171 835756308 /nfs/dbraw/zinc/75/63/08/835756308.db2.gz DLPUVMAHELPALX-MWLCHTKSSA-N 2 2 250.302 1.016 20 5 CDBDLP Cc1[nH+]c2c(n1[C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC[NH2+]CC2 ZINC001169014447 927619790 /nfs/dbraw/zinc/61/97/90/927619790.db2.gz ZWIYVVUXGVDOOI-NWDGAFQWSA-N 2 2 278.356 1.498 20 5 CDBDLP CC[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CC[NH+](C)CC1 ZINC001169029097 927636038 /nfs/dbraw/zinc/63/60/38/927636038.db2.gz UGTUMJIHCIWKSY-TZMCWYRMSA-N 2 2 269.389 1.848 20 5 CDBDLP CC[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CC[NH+](C)CC1 ZINC001169029097 927636046 /nfs/dbraw/zinc/63/60/46/927636046.db2.gz UGTUMJIHCIWKSY-TZMCWYRMSA-N 2 2 269.389 1.848 20 5 CDBDLP [NH3+]C[C@@H]1CCC[N@@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254573811 947534002 /nfs/dbraw/zinc/53/40/02/947534002.db2.gz CIRIUEGAIVERKH-UONOGXRCSA-N 2 2 261.325 1.485 20 5 CDBDLP [NH3+]C[C@@H]1CCC[N@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254573811 947534010 /nfs/dbraw/zinc/53/40/10/947534010.db2.gz CIRIUEGAIVERKH-UONOGXRCSA-N 2 2 261.325 1.485 20 5 CDBDLP COc1ccc(C[NH2+][C@H]2CC[C@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000600677280 342241949 /nfs/dbraw/zinc/24/19/49/342241949.db2.gz BXLHXUKTAYNEFV-JQWIXIFHSA-N 2 2 279.340 1.834 20 5 CDBDLP C[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)[C@H](C[NH3+])C1 ZINC000124413747 351348950 /nfs/dbraw/zinc/34/89/50/351348950.db2.gz HWCKQMPXTVXGFC-GFCCVEGCSA-N 2 2 298.774 1.323 20 5 CDBDLP C[N@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)[C@H](C[NH3+])C1 ZINC000124413747 351348957 /nfs/dbraw/zinc/34/89/57/351348957.db2.gz HWCKQMPXTVXGFC-GFCCVEGCSA-N 2 2 298.774 1.323 20 5 CDBDLP Cc1ccc(C[NH2+]C[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000414789907 241387033 /nfs/dbraw/zinc/38/70/33/241387033.db2.gz GAJZPCQSJKTCMK-GFCCVEGCSA-N 2 2 251.330 1.976 20 5 CDBDLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000420374429 244167286 /nfs/dbraw/zinc/16/72/86/244167286.db2.gz RZGUHYHJYNDOOJ-JMSVASOKSA-N 2 2 293.367 1.950 20 5 CDBDLP C[NH2+]CCC[N@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000420383097 244180875 /nfs/dbraw/zinc/18/08/75/244180875.db2.gz BIOATMKEIRKCFE-NSHDSACASA-N 2 2 294.355 1.463 20 5 CDBDLP C[NH2+]CCC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000420383097 244180880 /nfs/dbraw/zinc/18/08/80/244180880.db2.gz BIOATMKEIRKCFE-NSHDSACASA-N 2 2 294.355 1.463 20 5 CDBDLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)c1ccc([N+](=O)[O-])cc1 ZINC000423486330 392963962 /nfs/dbraw/zinc/96/39/62/392963962.db2.gz WIECRKWQPQWHIE-FZMZJTMJSA-N 2 2 278.356 1.149 20 5 CDBDLP C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C1CC[NH2+]CC1 ZINC000261665321 140371887 /nfs/dbraw/zinc/37/18/87/140371887.db2.gz ZMTUGIVVOSKOOB-UHFFFAOYSA-N 2 2 267.304 1.918 20 5 CDBDLP C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C1CC[NH2+]CC1 ZINC000261665321 140371888 /nfs/dbraw/zinc/37/18/88/140371888.db2.gz ZMTUGIVVOSKOOB-UHFFFAOYSA-N 2 2 267.304 1.918 20 5 CDBDLP Cc1c(C[N@@H+]2CCCO[C@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000313360781 260287287 /nfs/dbraw/zinc/28/72/87/260287287.db2.gz XBUGHXNRCNYHPY-CYBMUJFWSA-N 2 2 279.340 1.453 20 5 CDBDLP Cc1c(C[N@H+]2CCCO[C@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000313360781 260287288 /nfs/dbraw/zinc/28/72/88/260287288.db2.gz XBUGHXNRCNYHPY-CYBMUJFWSA-N 2 2 279.340 1.453 20 5 CDBDLP Cc1[nH+]cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)n1C ZINC000579130310 324115764 /nfs/dbraw/zinc/11/57/64/324115764.db2.gz NWTOMPWYGIRHLB-UHFFFAOYSA-N 2 2 260.297 1.927 20 5 CDBDLP O=[N+]([O-])CC[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000905031675 626392415 /nfs/dbraw/zinc/39/24/15/626392415.db2.gz VKJCJNGNRLKKFX-UHFFFAOYSA-N 2 2 260.297 1.298 20 5 CDBDLP C[C@H](CC[NH2+]CC[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000905146512 626658394 /nfs/dbraw/zinc/65/83/94/626658394.db2.gz NRPYUZYCCAXTBD-CYBMUJFWSA-N 2 2 265.357 1.763 20 5 CDBDLP C[C@H](CC[NH2+]CC[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000905146512 626658396 /nfs/dbraw/zinc/65/83/96/626658396.db2.gz NRPYUZYCCAXTBD-CYBMUJFWSA-N 2 2 265.357 1.763 20 5 CDBDLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000131621134 846869467 /nfs/dbraw/zinc/86/94/67/846869467.db2.gz PZDFRTPWQSQXAY-UWVGGRQHSA-N 2 2 267.304 1.903 20 5 CDBDLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000131621134 846869472 /nfs/dbraw/zinc/86/94/72/846869472.db2.gz PZDFRTPWQSQXAY-UWVGGRQHSA-N 2 2 267.304 1.903 20 5 CDBDLP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000852095533 847022710 /nfs/dbraw/zinc/02/27/10/847022710.db2.gz AMUJOUQYWMTUPP-WFASDCNBSA-N 2 2 295.383 1.947 20 5 CDBDLP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000852095533 847022723 /nfs/dbraw/zinc/02/27/23/847022723.db2.gz AMUJOUQYWMTUPP-WFASDCNBSA-N 2 2 295.383 1.947 20 5 CDBDLP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000883442044 847088633 /nfs/dbraw/zinc/08/86/33/847088633.db2.gz DDEJZJDGWMFWIW-RYUDHWBXSA-N 2 2 267.304 1.949 20 5 CDBDLP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817979853 847112463 /nfs/dbraw/zinc/11/24/63/847112463.db2.gz PUBKKYJDHYPKPN-PSASIEDQSA-N 2 2 252.318 1.565 20 5 CDBDLP C[C@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC001336698879 960479013 /nfs/dbraw/zinc/47/90/13/960479013.db2.gz HOBDTXPLFBRTHT-LLVKDONJSA-N 2 2 294.355 1.463 20 5 CDBDLP COc1ccc(C[N@H+](C)CC(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC000592431317 342691588 /nfs/dbraw/zinc/69/15/88/342691588.db2.gz SNCHBUSPVBSQPO-UHFFFAOYSA-N 2 2 267.329 1.773 20 5 CDBDLP COc1ccc(C[N@@H+](C)CC(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC000592431317 342691589 /nfs/dbraw/zinc/69/15/89/342691589.db2.gz SNCHBUSPVBSQPO-UHFFFAOYSA-N 2 2 267.329 1.773 20 5 CDBDLP Cc1c(C[NH2+]C[C@H](O)C[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000231885634 364997769 /nfs/dbraw/zinc/99/77/69/364997769.db2.gz XFMIHXLUEFQCIW-AWEZNQCLSA-N 2 2 293.367 1.450 20 5 CDBDLP C[C@H](C[NH3+])[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414929984 371108439 /nfs/dbraw/zinc/10/84/39/371108439.db2.gz OPZHQELOENPBGK-SSDOTTSWSA-N 2 2 275.255 1.633 20 5 CDBDLP C[C@H](C[NH3+])[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000430919297 390942382 /nfs/dbraw/zinc/94/23/82/390942382.db2.gz QCDFMJOIGUKFFV-SNVBAGLBSA-N 2 2 253.302 1.253 20 5 CDBDLP C[C@H](C[NH3+])[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000430919297 390942383 /nfs/dbraw/zinc/94/23/83/390942383.db2.gz QCDFMJOIGUKFFV-SNVBAGLBSA-N 2 2 253.302 1.253 20 5 CDBDLP [NH3+]C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000261582859 140355877 /nfs/dbraw/zinc/35/58/77/140355877.db2.gz RLGLASGHLAZPIA-VIFPVBQESA-N 2 2 253.277 1.515 20 5 CDBDLP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000261582859 140355879 /nfs/dbraw/zinc/35/58/79/140355879.db2.gz RLGLASGHLAZPIA-VIFPVBQESA-N 2 2 253.277 1.515 20 5 CDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C[C@H](C)[NH3+] ZINC000863569397 698852572 /nfs/dbraw/zinc/85/25/72/698852572.db2.gz URIAZUICRJEEBR-NSHDSACASA-N 2 2 294.355 1.511 20 5 CDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)C[C@H](C)[NH3+] ZINC000863569397 698852573 /nfs/dbraw/zinc/85/25/73/698852573.db2.gz URIAZUICRJEEBR-NSHDSACASA-N 2 2 294.355 1.511 20 5 CDBDLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168957857 927579191 /nfs/dbraw/zinc/57/91/91/927579191.db2.gz JTFYIJXURAZPEF-AVGNSLFASA-N 2 2 255.362 1.506 20 5 CDBDLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168957857 927579185 /nfs/dbraw/zinc/57/91/85/927579185.db2.gz JTFYIJXURAZPEF-AVGNSLFASA-N 2 2 255.362 1.506 20 5 CDBDLP CC1(C[NH3+])C[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001246596864 932049087 /nfs/dbraw/zinc/04/90/87/932049087.db2.gz KONDNDMMRYNDFA-CYBMUJFWSA-N 2 2 261.325 1.343 20 5 CDBDLP C[NH+]1CC(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254578060 947535980 /nfs/dbraw/zinc/53/59/80/947535980.db2.gz ITSSRFCRJNCLAB-ZDUSSCGKSA-N 2 2 261.325 1.213 20 5 CDBDLP C[NH2+]C[C@@H](C)C[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000414831721 370477411 /nfs/dbraw/zinc/47/74/11/370477411.db2.gz DMSBSPJFYRCXIB-SNVBAGLBSA-N 2 2 297.355 1.557 20 5 CDBDLP COc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000113516263 374260897 /nfs/dbraw/zinc/26/08/97/374260897.db2.gz RIQPXILEUVQFAY-ZDUSSCGKSA-N 2 2 293.367 1.987 20 5 CDBDLP COc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000113516263 374260903 /nfs/dbraw/zinc/26/09/03/374260903.db2.gz RIQPXILEUVQFAY-ZDUSSCGKSA-N 2 2 293.367 1.987 20 5 CDBDLP C[NH+](C)CCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000299144296 374438996 /nfs/dbraw/zinc/43/89/96/374438996.db2.gz VMELUYFWYWCSRY-UHFFFAOYSA-N 2 2 251.330 1.978 20 5 CDBDLP C[NH+](C)CCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000299144296 374439004 /nfs/dbraw/zinc/43/90/04/374439004.db2.gz VMELUYFWYWCSRY-UHFFFAOYSA-N 2 2 251.330 1.978 20 5 CDBDLP O=[N+]([O-])c1ccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000037894575 374929357 /nfs/dbraw/zinc/92/93/57/374929357.db2.gz IEYAXOITUDCWPS-AWEZNQCLSA-N 2 2 279.340 1.141 20 5 CDBDLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000351865644 375336540 /nfs/dbraw/zinc/33/65/40/375336540.db2.gz ODEPWRMEOUVQMW-NXEZZACHSA-N 2 2 290.323 1.905 20 5 CDBDLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000351865644 375336546 /nfs/dbraw/zinc/33/65/46/375336546.db2.gz ODEPWRMEOUVQMW-NXEZZACHSA-N 2 2 290.323 1.905 20 5 CDBDLP O=[N+]([O-])c1ccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c(F)c1 ZINC000415048982 391249887 /nfs/dbraw/zinc/24/98/87/391249887.db2.gz ZYAPXZRTUKSHSA-IAZYJMLFSA-N 2 2 251.261 1.041 20 5 CDBDLP O=[N+]([O-])c1ccn(CC[NH+]2CCC([NH2+]CC3CC3)CC2)n1 ZINC000430585540 393100521 /nfs/dbraw/zinc/10/05/21/393100521.db2.gz QPMIPPQSCRDZAI-UHFFFAOYSA-N 2 2 293.371 1.255 20 5 CDBDLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000579580816 324221461 /nfs/dbraw/zinc/22/14/61/324221461.db2.gz MYMWKTWHTXKUCZ-BXUZGUMPSA-N 2 2 279.340 1.561 20 5 CDBDLP C[N@@H+]1CC[C@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000729681662 574820648 /nfs/dbraw/zinc/82/06/48/574820648.db2.gz HJIHNOAXORSRIR-BPJJOFIESA-N 2 2 261.325 1.902 20 5 CDBDLP C[N@H+]1CC[C@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000729681662 574820649 /nfs/dbraw/zinc/82/06/49/574820649.db2.gz HJIHNOAXORSRIR-BPJJOFIESA-N 2 2 261.325 1.902 20 5 CDBDLP COc1ccc(C[C@@H](C)[NH2+]CC2C[NH+](C)C2)c([N+](=O)[O-])c1 ZINC001170314009 1162335134 /nfs/dbraw/zinc/33/51/34/1162335134.db2.gz TZVMNZYGJGZUIF-LLVKDONJSA-N 2 2 293.367 1.686 20 5 CDBDLP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817979856 705900005 /nfs/dbraw/zinc/90/00/05/705900005.db2.gz PUBKKYJDHYPKPN-WPRPVWTQSA-N 2 2 252.318 1.565 20 5 CDBDLP COc1ccc(C[N@@H+]2CC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000050249108 711714249 /nfs/dbraw/zinc/71/42/49/711714249.db2.gz MRJNKWMTDLQVRH-LLVKDONJSA-N 2 2 265.313 1.384 20 5 CDBDLP COc1ccc(C[N@H+]2CC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000050249108 711714250 /nfs/dbraw/zinc/71/42/50/711714250.db2.gz MRJNKWMTDLQVRH-LLVKDONJSA-N 2 2 265.313 1.384 20 5 CDBDLP Cc1c(C[NH2+]C[C@](C)(O)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000227972642 920138724 /nfs/dbraw/zinc/13/87/24/920138724.db2.gz UJZJOKDSQQNSGD-AWEZNQCLSA-N 2 2 281.356 1.305 20 5 CDBDLP Cc1[nH+]cc2n1CC[N@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169010238 927613141 /nfs/dbraw/zinc/61/31/41/927613141.db2.gz BRMAYLZVDWKPBD-NEPJUHHUSA-N 2 2 264.329 1.453 20 5 CDBDLP Cc1[nH+]cc2n1CC[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169010238 927613151 /nfs/dbraw/zinc/61/31/51/927613151.db2.gz BRMAYLZVDWKPBD-NEPJUHHUSA-N 2 2 264.329 1.453 20 5 CDBDLP Nc1cc([N+](=O)[O-])cnc1-n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001155064102 937629878 /nfs/dbraw/zinc/62/98/78/937629878.db2.gz MMKOAHXVYQYHJZ-UHFFFAOYSA-N 2 2 288.311 1.225 20 5 CDBDLP CC[NH+]1CCC([N@H+](C)CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602779787 344595593 /nfs/dbraw/zinc/59/55/93/344595593.db2.gz QZNKHONIYTXASA-UHFFFAOYSA-N 2 2 295.387 1.516 20 5 CDBDLP CC[NH+]1CCC([N@@H+](C)CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602779787 344595595 /nfs/dbraw/zinc/59/55/95/344595595.db2.gz QZNKHONIYTXASA-UHFFFAOYSA-N 2 2 295.387 1.516 20 5 CDBDLP Cc1c([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCO2)cccc1[N+](=O)[O-] ZINC000423531722 374388454 /nfs/dbraw/zinc/38/84/54/374388454.db2.gz YOGNKLSCOWBVQP-NEPJUHHUSA-N 2 2 279.340 1.542 20 5 CDBDLP C[NH+](C)C[C@@H](O)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000332658210 375040415 /nfs/dbraw/zinc/04/04/15/375040415.db2.gz ANYMILRONJOGMK-DZGCQCFKSA-N 2 2 293.367 1.484 20 5 CDBDLP Cn1c[nH+]cc1CC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000459349828 392423357 /nfs/dbraw/zinc/42/33/57/392423357.db2.gz UVGDPJOOGFGQKN-UHFFFAOYSA-N 2 2 286.335 1.929 20 5 CDBDLP Cn1c[nH+]cc1CC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000459349828 392423361 /nfs/dbraw/zinc/42/33/61/392423361.db2.gz UVGDPJOOGFGQKN-UHFFFAOYSA-N 2 2 286.335 1.929 20 5 CDBDLP Cc1noc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1[N+](=O)[O-] ZINC000595375961 392561394 /nfs/dbraw/zinc/56/13/94/392561394.db2.gz FVQLHVZBSOWDJW-SNVBAGLBSA-N 2 2 291.311 1.994 20 5 CDBDLP Cc1noc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1[N+](=O)[O-] ZINC000595375961 392561397 /nfs/dbraw/zinc/56/13/97/392561397.db2.gz FVQLHVZBSOWDJW-SNVBAGLBSA-N 2 2 291.311 1.994 20 5 CDBDLP COCC[NH2+]CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000423320155 392960114 /nfs/dbraw/zinc/96/01/14/392960114.db2.gz DCXBTXILVHRNHT-LBPRGKRZSA-N 2 2 281.356 1.790 20 5 CDBDLP C[NH2+]C[C@@H]1CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000071146053 176042277 /nfs/dbraw/zinc/04/22/77/176042277.db2.gz JBNLQXPTSPYKHB-JTQLQIEISA-N 2 2 267.304 1.775 20 5 CDBDLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000071146053 176042278 /nfs/dbraw/zinc/04/22/78/176042278.db2.gz JBNLQXPTSPYKHB-JTQLQIEISA-N 2 2 267.304 1.775 20 5 CDBDLP CC[N@H+](C)CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000564705581 293396772 /nfs/dbraw/zinc/39/67/72/293396772.db2.gz KDRZYHASVGQFFK-OLZOCXBDSA-N 2 2 295.387 1.816 20 5 CDBDLP CC[N@@H+](C)CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000564705581 293396775 /nfs/dbraw/zinc/39/67/75/293396775.db2.gz KDRZYHASVGQFFK-OLZOCXBDSA-N 2 2 295.387 1.816 20 5 CDBDLP COc1ccc(C[NH2+][C@H](C)Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000049235665 524089058 /nfs/dbraw/zinc/08/90/58/524089058.db2.gz WMIUMJVHOYYTSI-LLVKDONJSA-N 2 2 290.323 1.978 20 5 CDBDLP COc1ccc(C[C@@H](C)[NH2+][C@@H]2C[C@H]2[NH3+])c([N+](=O)[O-])c1 ZINC001170306464 1162339168 /nfs/dbraw/zinc/33/91/68/1162339168.db2.gz VNUAAAIAJFUMMI-GGZOMVNGSA-N 2 2 265.313 1.224 20 5 CDBDLP O=[N+]([O-])c1ccc(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)cc1 ZINC000328470055 712055540 /nfs/dbraw/zinc/05/55/40/712055540.db2.gz ZGTWCJCBGHBYIZ-WPTOEGHWSA-N 2 2 273.336 1.681 20 5 CDBDLP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@](C)(O)C[NH+](C)C ZINC000873094628 712405307 /nfs/dbraw/zinc/40/53/07/712405307.db2.gz LSLOJUNORNQZBR-HNNXBMFYSA-N 2 2 295.383 1.614 20 5 CDBDLP COCC[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C1CC[NH+](C)CC1 ZINC001169021916 927663938 /nfs/dbraw/zinc/66/39/38/927663938.db2.gz BCIGBRXJGHZQQY-DZGCQCFKSA-N 2 2 299.415 1.474 20 5 CDBDLP COCC[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C1CC[NH+](C)CC1 ZINC001169021916 927663946 /nfs/dbraw/zinc/66/39/46/927663946.db2.gz BCIGBRXJGHZQQY-DZGCQCFKSA-N 2 2 299.415 1.474 20 5 CDBDLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000131620918 930187719 /nfs/dbraw/zinc/18/77/19/930187719.db2.gz PZDFRTPWQSQXAY-ZJUUUORDSA-N 2 2 267.304 1.903 20 5 CDBDLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000131620918 930187726 /nfs/dbraw/zinc/18/77/26/930187726.db2.gz PZDFRTPWQSQXAY-ZJUUUORDSA-N 2 2 267.304 1.903 20 5 CDBDLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886832180 930970885 /nfs/dbraw/zinc/97/08/85/930970885.db2.gz CHHUNUSSPMMPOH-UWVGGRQHSA-N 2 2 250.302 1.159 20 5 CDBDLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886832180 930970892 /nfs/dbraw/zinc/97/08/92/930970892.db2.gz CHHUNUSSPMMPOH-UWVGGRQHSA-N 2 2 250.302 1.159 20 5 CDBDLP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246358328 931483626 /nfs/dbraw/zinc/48/36/26/931483626.db2.gz ORHGKXCTLVEUMX-WCQYABFASA-N 2 2 263.341 1.867 20 5 CDBDLP Cc1c(C[NH+]2CCC([NH2+]CCO)CC2)cccc1[N+](=O)[O-] ZINC000601328050 342554291 /nfs/dbraw/zinc/55/42/91/342554291.db2.gz FJKYVJJIGJQYIG-UHFFFAOYSA-N 2 2 293.367 1.450 20 5 CDBDLP COc1ccc(C[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)cc1[N+](=O)[O-] ZINC000601328771 342554396 /nfs/dbraw/zinc/55/43/96/342554396.db2.gz YQDXHPCHVYEJRN-DOMZBBRYSA-N 2 2 291.351 1.835 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C)([NH3+])CC1 ZINC000592485215 342695903 /nfs/dbraw/zinc/69/59/03/342695903.db2.gz RPLZFGAEWDFBIN-UHFFFAOYSA-N 2 2 279.340 1.917 20 5 CDBDLP Cc1noc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1[N+](=O)[O-] ZINC000595394647 343047088 /nfs/dbraw/zinc/04/70/88/343047088.db2.gz YHWRMKQZKDMXIU-SNVBAGLBSA-N 2 2 291.311 1.614 20 5 CDBDLP Cc1noc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1[N+](=O)[O-] ZINC000595394647 343047091 /nfs/dbraw/zinc/04/70/91/343047091.db2.gz YHWRMKQZKDMXIU-SNVBAGLBSA-N 2 2 291.311 1.614 20 5 CDBDLP O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000599018156 343945098 /nfs/dbraw/zinc/94/50/98/343945098.db2.gz FPWICDJQEHTGLD-KQIUPUNMSA-N 2 2 291.351 1.264 20 5 CDBDLP O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000599018156 343945100 /nfs/dbraw/zinc/94/51/00/343945100.db2.gz FPWICDJQEHTGLD-KQIUPUNMSA-N 2 2 291.351 1.264 20 5 CDBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000545161481 362694047 /nfs/dbraw/zinc/69/40/47/362694047.db2.gz XABBMTXZOSCVER-SWLSCSKDSA-N 2 2 293.367 1.620 20 5 CDBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000545161481 362694051 /nfs/dbraw/zinc/69/40/51/362694051.db2.gz XABBMTXZOSCVER-SWLSCSKDSA-N 2 2 293.367 1.620 20 5 CDBDLP COc1ccc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000261787272 359398434 /nfs/dbraw/zinc/39/84/34/359398434.db2.gz QCSVCNSEIZSKNW-AWEZNQCLSA-N 2 2 279.340 1.774 20 5 CDBDLP COc1ccc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000261787272 359398441 /nfs/dbraw/zinc/39/84/41/359398441.db2.gz QCSVCNSEIZSKNW-AWEZNQCLSA-N 2 2 279.340 1.774 20 5 CDBDLP O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)cs1 ZINC000415040463 391248752 /nfs/dbraw/zinc/24/87/52/391248752.db2.gz OJKPMKNNABGMKB-JTQLQIEISA-N 2 2 271.342 1.124 20 5 CDBDLP C[C@@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000430969165 393107206 /nfs/dbraw/zinc/10/72/06/393107206.db2.gz CCTUFABGCGVHPI-BXKDBHETSA-N 2 2 267.304 1.903 20 5 CDBDLP C[C@@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000430969165 393107211 /nfs/dbraw/zinc/10/72/11/393107211.db2.gz CCTUFABGCGVHPI-BXKDBHETSA-N 2 2 267.304 1.903 20 5 CDBDLP O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c(F)c1 ZINC000261843232 140398042 /nfs/dbraw/zinc/39/80/42/140398042.db2.gz VYHATJOITMESDJ-PWSUYJOCSA-N 2 2 279.315 1.775 20 5 CDBDLP O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c(F)c1 ZINC000261843232 140398043 /nfs/dbraw/zinc/39/80/43/140398043.db2.gz VYHATJOITMESDJ-PWSUYJOCSA-N 2 2 279.315 1.775 20 5 CDBDLP CCn1c[nH+]cc1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000418068002 228000375 /nfs/dbraw/zinc/00/03/75/228000375.db2.gz NKDIHAIRRNCTTF-UHFFFAOYSA-N 2 2 289.339 1.777 20 5 CDBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000154310057 289201624 /nfs/dbraw/zinc/20/16/24/289201624.db2.gz UQTXMLKLYUMEND-WCQYABFASA-N 2 2 281.356 1.476 20 5 CDBDLP C[C@@H](C[NH+](C)C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000583560504 325198726 /nfs/dbraw/zinc/19/87/26/325198726.db2.gz PMINBUQJCFFJMP-NSHDSACASA-N 2 2 294.355 1.463 20 5 CDBDLP C[C@H]([NH3+])C[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000863569100 929572449 /nfs/dbraw/zinc/57/24/49/929572449.db2.gz PVTLQLKAFKVZJP-JTQLQIEISA-N 2 2 253.302 1.253 20 5 CDBDLP C[C@H]([NH3+])C[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000863569100 929572454 /nfs/dbraw/zinc/57/24/54/929572454.db2.gz PVTLQLKAFKVZJP-JTQLQIEISA-N 2 2 253.302 1.253 20 5 CDBDLP Cc1cnc(-n2c[nH+]cc2C2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001155054459 937627838 /nfs/dbraw/zinc/62/78/38/937627838.db2.gz YMYIVGCFKQPOAO-UHFFFAOYSA-N 2 2 287.323 1.951 20 5 CDBDLP Cc1ccnc(N[C@@]2(C[NH3+])C[NH+]3CCC2CC3)c1[N+](=O)[O-] ZINC001160510083 938792324 /nfs/dbraw/zinc/79/23/24/938792324.db2.gz FSOCBGMOYOILTC-AWEZNQCLSA-N 2 2 291.355 1.133 20 5 CDBDLP C[NH+](C)C1(CNc2ncccc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC001164211737 939431147 /nfs/dbraw/zinc/43/11/47/939431147.db2.gz REDQWVTXFSDQAL-UHFFFAOYSA-N 2 2 293.371 1.428 20 5 CDBDLP O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CCn1cc[nH+]c1)C2 ZINC001254566403 947527521 /nfs/dbraw/zinc/52/75/21/947527521.db2.gz JPHIZTKOSHFQOV-ZDUSSCGKSA-N 2 2 272.308 1.548 20 5 CDBDLP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000603432942 344803753 /nfs/dbraw/zinc/80/37/53/344803753.db2.gz KVPIDRSJTNJLHZ-RYUDHWBXSA-N 2 2 267.304 1.949 20 5 CDBDLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000423011841 358069071 /nfs/dbraw/zinc/06/90/71/358069071.db2.gz JMEWHZSUOWZDEK-SMDDNHRTSA-N 2 2 263.341 1.725 20 5 CDBDLP COc1ccc(C[NH2+]C[C@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000414789840 241387329 /nfs/dbraw/zinc/38/73/29/241387329.db2.gz FWJYYKRWYBGDHL-NSHDSACASA-N 2 2 267.329 1.676 20 5 CDBDLP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000358258329 375959867 /nfs/dbraw/zinc/95/98/67/375959867.db2.gz SXUXUVWNEVBUHP-BXUZGUMPSA-N 2 2 279.340 1.312 20 5 CDBDLP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000358258329 375959876 /nfs/dbraw/zinc/95/98/76/375959876.db2.gz SXUXUVWNEVBUHP-BXUZGUMPSA-N 2 2 279.340 1.312 20 5 CDBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C1CC([NH3+])C1 ZINC000906510751 627298614 /nfs/dbraw/zinc/29/86/14/627298614.db2.gz UXJVWEOJYFIREG-UHFFFAOYSA-N 2 2 265.313 1.573 20 5 CDBDLP O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](CC3CCC3)C2)C1 ZINC001168992812 927601297 /nfs/dbraw/zinc/60/12/97/927601297.db2.gz KWTWEHFGBOVIDN-ILXRZTDVSA-N 2 2 281.400 1.896 20 5 CDBDLP O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](CC3CCC3)C2)C1 ZINC001168992812 927601306 /nfs/dbraw/zinc/60/13/06/927601306.db2.gz KWTWEHFGBOVIDN-ILXRZTDVSA-N 2 2 281.400 1.896 20 5 CDBDLP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001246870927 932307688 /nfs/dbraw/zinc/30/76/88/932307688.db2.gz QBAYSYSMQANXRA-OSMZGAPFSA-N 2 2 261.325 1.559 20 5 CDBDLP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001246870927 932307693 /nfs/dbraw/zinc/30/76/93/932307693.db2.gz QBAYSYSMQANXRA-OSMZGAPFSA-N 2 2 261.325 1.559 20 5 CDBDLP O=[N+]([O-])c1cccc(-n2c[nH+]cc2C2CC[NH2+]CC2)n1 ZINC001155053271 937627437 /nfs/dbraw/zinc/62/74/37/937627437.db2.gz LRVJPKIVDKZIAN-UHFFFAOYSA-N 2 2 273.296 1.643 20 5 CDBDLP Nc1cc(-n2c[nH+]cc2C2CC[NH2+]CC2)ncc1[N+](=O)[O-] ZINC001155057237 937628874 /nfs/dbraw/zinc/62/88/74/937628874.db2.gz BIRLOYJOWQQGJF-UHFFFAOYSA-N 2 2 288.311 1.225 20 5 CDBDLP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000251251485 350069026 /nfs/dbraw/zinc/06/90/26/350069026.db2.gz JBENYCSBCMSASW-WOPDTQHZSA-N 2 2 261.325 1.807 20 5 CDBDLP O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000599007989 358724745 /nfs/dbraw/zinc/72/47/45/358724745.db2.gz FPWICDJQEHTGLD-PKXJPQMGSA-N 2 2 291.351 1.264 20 5 CDBDLP O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000599007989 358724751 /nfs/dbraw/zinc/72/47/51/358724751.db2.gz FPWICDJQEHTGLD-PKXJPQMGSA-N 2 2 291.351 1.264 20 5 CDBDLP O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000414853891 367667933 /nfs/dbraw/zinc/66/79/33/367667933.db2.gz YMNLLDNWYXYBMU-RJNRQISESA-N 2 2 261.325 1.950 20 5 CDBDLP C[C@H](C[NH3+])[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420286178 244027155 /nfs/dbraw/zinc/02/71/55/244027155.db2.gz FTQMLVQKPOQFKB-SNVBAGLBSA-N 2 2 280.328 1.202 20 5 CDBDLP C[C@H](C[NH3+])[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420286178 244027162 /nfs/dbraw/zinc/02/71/62/244027162.db2.gz FTQMLVQKPOQFKB-SNVBAGLBSA-N 2 2 280.328 1.202 20 5 CDBDLP C[NH2+]CC[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000420335766 244104610 /nfs/dbraw/zinc/10/46/10/244104610.db2.gz IXLAVQBZSIWDLS-UHFFFAOYSA-N 2 2 294.355 1.383 20 5 CDBDLP C[NH2+]CC[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000420335766 244104615 /nfs/dbraw/zinc/10/46/15/244104615.db2.gz IXLAVQBZSIWDLS-UHFFFAOYSA-N 2 2 294.355 1.383 20 5 CDBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]([NH3+])CC ZINC000414973062 371196939 /nfs/dbraw/zinc/19/69/39/371196939.db2.gz BQDKRUXXWDBWSZ-LLVKDONJSA-N 2 2 267.329 1.820 20 5 CDBDLP COc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000422949287 374363575 /nfs/dbraw/zinc/36/35/75/374363575.db2.gz UUNQORMQDXQFGP-PWSUYJOCSA-N 2 2 279.340 1.834 20 5 CDBDLP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3c(F)cccc3[N+](=O)[O-])C[C@H]12 ZINC000351482128 375301593 /nfs/dbraw/zinc/30/15/93/375301593.db2.gz YYPPHNQHDWTACG-OUJBWJOFSA-N 2 2 279.315 1.903 20 5 CDBDLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])C[C@H]12 ZINC000351482128 375301599 /nfs/dbraw/zinc/30/15/99/375301599.db2.gz YYPPHNQHDWTACG-OUJBWJOFSA-N 2 2 279.315 1.903 20 5 CDBDLP O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000267379657 190325848 /nfs/dbraw/zinc/32/58/48/190325848.db2.gz AQYIZTVTMOVTLX-LLVKDONJSA-N 2 2 290.327 1.394 20 5 CDBDLP O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000267379657 190325849 /nfs/dbraw/zinc/32/58/49/190325849.db2.gz AQYIZTVTMOVTLX-LLVKDONJSA-N 2 2 290.327 1.394 20 5 CDBDLP COCC[NH2+]CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000423322616 390825711 /nfs/dbraw/zinc/82/57/11/390825711.db2.gz NYICFOSHYKATRI-LLVKDONJSA-N 2 2 267.329 1.481 20 5 CDBDLP C[NH+](C)C[C@@H](O)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000332658213 390985461 /nfs/dbraw/zinc/98/54/61/390985461.db2.gz ANYMILRONJOGMK-ZFWWWQNUSA-N 2 2 293.367 1.484 20 5 CDBDLP O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252667289 140322242 /nfs/dbraw/zinc/32/22/42/140322242.db2.gz IEHVBBOTWJJUCH-UONOGXRCSA-N 2 2 291.351 1.548 20 5 CDBDLP O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252667289 140322243 /nfs/dbraw/zinc/32/22/43/140322243.db2.gz IEHVBBOTWJJUCH-UONOGXRCSA-N 2 2 291.351 1.548 20 5 CDBDLP C[C@@]1(C[NH3+])CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000261590521 140358184 /nfs/dbraw/zinc/35/81/84/140358184.db2.gz LHAGFDXZJGPERG-ZDUSSCGKSA-N 2 2 267.304 1.905 20 5 CDBDLP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000261590521 140358185 /nfs/dbraw/zinc/35/81/85/140358185.db2.gz LHAGFDXZJGPERG-ZDUSSCGKSA-N 2 2 267.304 1.905 20 5 CDBDLP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000071147584 176043356 /nfs/dbraw/zinc/04/33/56/176043356.db2.gz JMXQZMUQUATVCV-GFCCVEGCSA-N 2 2 279.340 1.645 20 5 CDBDLP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000071147584 176043358 /nfs/dbraw/zinc/04/33/58/176043358.db2.gz JMXQZMUQUATVCV-GFCCVEGCSA-N 2 2 279.340 1.645 20 5 CDBDLP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000071147582 176043603 /nfs/dbraw/zinc/04/36/03/176043603.db2.gz JMXQZMUQUATVCV-LBPRGKRZSA-N 2 2 279.340 1.645 20 5 CDBDLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000071147582 176043604 /nfs/dbraw/zinc/04/36/04/176043604.db2.gz JMXQZMUQUATVCV-LBPRGKRZSA-N 2 2 279.340 1.645 20 5 CDBDLP C[N@@H+]1CC[C@@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000729681663 574820450 /nfs/dbraw/zinc/82/04/50/574820450.db2.gz HJIHNOAXORSRIR-DIECRNLCSA-N 2 2 261.325 1.902 20 5 CDBDLP C[N@H+]1CC[C@@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000729681663 574820451 /nfs/dbraw/zinc/82/04/51/574820451.db2.gz HJIHNOAXORSRIR-DIECRNLCSA-N 2 2 261.325 1.902 20 5 CDBDLP O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC23CC[NH2+]CC3)c1 ZINC001574441396 1170983849 /nfs/dbraw/zinc/98/38/49/1170983849.db2.gz WSSWFVSCLRNVLW-CQSZACIVSA-N 2 2 291.351 1.456 20 5 CDBDLP O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC23CC[NH2+]CC3)c1 ZINC001574441396 1170983855 /nfs/dbraw/zinc/98/38/55/1170983855.db2.gz WSSWFVSCLRNVLW-CQSZACIVSA-N 2 2 291.351 1.456 20 5 CDBDLP C[NH+]1CC(C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172911007 912102579 /nfs/dbraw/zinc/10/25/79/912102579.db2.gz GPMBHRAWCDXRRH-HNNXBMFYSA-N 2 2 289.379 1.993 20 5 CDBDLP Cc1cc(C)c([N+](=O)[O-])c(NCC[NH+]2CCC([NH3+])CC2)n1 ZINC001161867832 938937499 /nfs/dbraw/zinc/93/74/99/938937499.db2.gz QKWOFBMKDYCIAV-UHFFFAOYSA-N 2 2 293.371 1.442 20 5 CDBDLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC[N+](=O)[O-] ZINC001334683879 959285194 /nfs/dbraw/zinc/28/51/94/959285194.db2.gz DKISRIFFCBDXSZ-DZGCQCFKSA-N 2 2 277.368 1.763 20 5 CDBDLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC[N+](=O)[O-] ZINC001334683879 959285210 /nfs/dbraw/zinc/28/52/10/959285210.db2.gz DKISRIFFCBDXSZ-DZGCQCFKSA-N 2 2 277.368 1.763 20 5 CDBDLP CC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001335338487 959724273 /nfs/dbraw/zinc/72/42/73/959724273.db2.gz SSVGQGKHSQEOHD-LSDHHAIUSA-N 2 2 293.367 1.702 20 5 CDBDLP CC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001335338487 959724277 /nfs/dbraw/zinc/72/42/77/959724277.db2.gz SSVGQGKHSQEOHD-LSDHHAIUSA-N 2 2 293.367 1.702 20 5 CDBDLP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000601329895 342554751 /nfs/dbraw/zinc/55/47/51/342554751.db2.gz OEBUBZSMIATTGM-WDEREUQCSA-N 2 2 265.313 1.395 20 5 CDBDLP C[C@H]1C[C@@H]([NH3+])C[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000601329895 342554752 /nfs/dbraw/zinc/55/47/52/342554752.db2.gz OEBUBZSMIATTGM-WDEREUQCSA-N 2 2 265.313 1.395 20 5 CDBDLP COc1ccc(C[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000600677282 342241844 /nfs/dbraw/zinc/24/18/44/342241844.db2.gz BXLHXUKTAYNEFV-ZYHUDNBSSA-N 2 2 279.340 1.834 20 5 CDBDLP [NH3+][C@@]12CCC[C@H]1C[N@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC000598681948 343864241 /nfs/dbraw/zinc/86/42/41/343864241.db2.gz KIKGDMXQOOBFKI-GXTWGEPZSA-N 2 2 261.325 1.908 20 5 CDBDLP [NH3+][C@@]12CCC[C@H]1C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC000598681948 343864242 /nfs/dbraw/zinc/86/42/42/343864242.db2.gz KIKGDMXQOOBFKI-GXTWGEPZSA-N 2 2 261.325 1.908 20 5 CDBDLP [NH3+][C@]12CCC[C@@H]1C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C2 ZINC000598682041 343864532 /nfs/dbraw/zinc/86/45/32/343864532.db2.gz KXTCYEBMRPEAFI-DOMZBBRYSA-N 2 2 291.351 1.787 20 5 CDBDLP [NH3+][C@]12CCC[C@@H]1C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C2 ZINC000598682041 343864537 /nfs/dbraw/zinc/86/45/37/343864537.db2.gz KXTCYEBMRPEAFI-DOMZBBRYSA-N 2 2 291.351 1.787 20 5 CDBDLP [NH3+][C@@]12CCC[C@@H]1C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000598684980 343864850 /nfs/dbraw/zinc/86/48/50/343864850.db2.gz ZOCLMFSDJGTVEZ-UKRRQHHQSA-N 2 2 275.352 1.951 20 5 CDBDLP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000598684980 343864853 /nfs/dbraw/zinc/86/48/53/343864853.db2.gz ZOCLMFSDJGTVEZ-UKRRQHHQSA-N 2 2 275.352 1.951 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000603429334 344802379 /nfs/dbraw/zinc/80/23/79/344802379.db2.gz NNJDEEGZHBWMPB-CHWSQXEVSA-N 2 2 279.340 1.819 20 5 CDBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000545161480 362693407 /nfs/dbraw/zinc/69/34/07/362693407.db2.gz XABBMTXZOSCVER-IUODEOHRSA-N 2 2 293.367 1.620 20 5 CDBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000545161480 362693412 /nfs/dbraw/zinc/69/34/12/362693412.db2.gz XABBMTXZOSCVER-IUODEOHRSA-N 2 2 293.367 1.620 20 5 CDBDLP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000268855250 366090621 /nfs/dbraw/zinc/09/06/21/366090621.db2.gz QQSRSXDFBNYJBT-DOMZBBRYSA-N 2 2 293.367 1.702 20 5 CDBDLP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000063527616 364807657 /nfs/dbraw/zinc/80/76/57/364807657.db2.gz CZGLQUYWRFZOQT-BETUJISGSA-N 2 2 261.325 1.588 20 5 CDBDLP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000063527616 364807660 /nfs/dbraw/zinc/80/76/60/364807660.db2.gz CZGLQUYWRFZOQT-BETUJISGSA-N 2 2 261.325 1.588 20 5 CDBDLP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000063527616 364807663 /nfs/dbraw/zinc/80/76/63/364807663.db2.gz CZGLQUYWRFZOQT-BETUJISGSA-N 2 2 261.325 1.588 20 5 CDBDLP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000063527616 364807664 /nfs/dbraw/zinc/80/76/64/364807664.db2.gz CZGLQUYWRFZOQT-BETUJISGSA-N 2 2 261.325 1.588 20 5 CDBDLP Cc1c(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000231885632 364997895 /nfs/dbraw/zinc/99/78/95/364997895.db2.gz XFMIHXLUEFQCIW-CQSZACIVSA-N 2 2 293.367 1.450 20 5 CDBDLP C[C@@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000414958351 371170755 /nfs/dbraw/zinc/17/07/55/371170755.db2.gz WPWJIIVUJKFVQG-PSASIEDQSA-N 2 2 255.343 1.886 20 5 CDBDLP COc1ccc(C[NH2+][C@H]2CCC[C@H]2[NH3+])cc1[N+](=O)[O-] ZINC000422943505 374364353 /nfs/dbraw/zinc/36/43/53/374364353.db2.gz KODNQCXAZNKALE-MNOVXSKESA-N 2 2 265.313 1.573 20 5 CDBDLP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000266869217 190285614 /nfs/dbraw/zinc/28/56/14/190285614.db2.gz MSDKNKCMPQIAKX-IUODEOHRSA-N 2 2 293.367 1.702 20 5 CDBDLP O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000299921511 391017453 /nfs/dbraw/zinc/01/74/53/391017453.db2.gz MHKOYGLKNTVIRH-DZGCQCFKSA-N 2 2 275.352 1.821 20 5 CDBDLP O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000299921511 391017461 /nfs/dbraw/zinc/01/74/61/391017461.db2.gz MHKOYGLKNTVIRH-DZGCQCFKSA-N 2 2 275.352 1.821 20 5 CDBDLP C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[NH2+]C1 ZINC000567893050 391546526 /nfs/dbraw/zinc/54/65/26/391546526.db2.gz LGLAHWUNOQYAMI-CYBMUJFWSA-N 2 2 292.339 1.217 20 5 CDBDLP C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[NH2+]C1 ZINC000567893050 391546530 /nfs/dbraw/zinc/54/65/30/391546530.db2.gz LGLAHWUNOQYAMI-CYBMUJFWSA-N 2 2 292.339 1.217 20 5 CDBDLP C[C@@H]([NH2+]CC1([NH3+])CCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000342131514 130290952 /nfs/dbraw/zinc/29/09/52/130290952.db2.gz IAKZMSAXUVMSGW-SNVBAGLBSA-N 2 2 292.339 1.393 20 5 CDBDLP [NH3+]C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420294024 392917737 /nfs/dbraw/zinc/91/77/37/392917737.db2.gz RZDACTILBZZTCE-NSHDSACASA-N 2 2 292.339 1.347 20 5 CDBDLP [NH3+]C[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420294024 392917740 /nfs/dbraw/zinc/91/77/40/392917740.db2.gz RZDACTILBZZTCE-NSHDSACASA-N 2 2 292.339 1.347 20 5 CDBDLP COc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000094342169 147084141 /nfs/dbraw/zinc/08/41/41/147084141.db2.gz GCILFOASLOFDHN-JQWIXIFHSA-N 2 2 279.340 1.773 20 5 CDBDLP COc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000094342169 147084145 /nfs/dbraw/zinc/08/41/45/147084145.db2.gz GCILFOASLOFDHN-JQWIXIFHSA-N 2 2 279.340 1.773 20 5 CDBDLP [NH3+]C1(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000904443759 626299452 /nfs/dbraw/zinc/29/94/52/626299452.db2.gz NIEXLNLUGDWYGH-UHFFFAOYSA-N 2 2 255.705 1.829 20 5 CDBDLP COc1ccc(C[NH2+]CC2([NH3+])CC2)cc1[N+](=O)[O-] ZINC000904449789 626300315 /nfs/dbraw/zinc/30/03/15/626300315.db2.gz NPCASTYPZJBYJZ-UHFFFAOYSA-N 2 2 251.286 1.184 20 5 CDBDLP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]CC[N+](=O)[O-])c2)CCO1 ZINC000905060114 626609658 /nfs/dbraw/zinc/60/96/58/626609658.db2.gz KIOKQNLXTVAZMM-ZDUSSCGKSA-N 2 2 293.367 1.274 20 5 CDBDLP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]CC[N+](=O)[O-])c2)CCO1 ZINC000905060114 626609660 /nfs/dbraw/zinc/60/96/60/626609660.db2.gz KIOKQNLXTVAZMM-ZDUSSCGKSA-N 2 2 293.367 1.274 20 5 CDBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1C[C@H]([NH3+])C1 ZINC000906508689 627296666 /nfs/dbraw/zinc/29/66/66/627296666.db2.gz UXJVWEOJYFIREG-XYPYZODXSA-N 2 2 265.313 1.573 20 5 CDBDLP C[C@@H]1C[C@@H](C)[N@H+](Cc2cccnc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000886840316 683731909 /nfs/dbraw/zinc/73/19/09/683731909.db2.gz YYIMTHNRWSOBLW-WZRBSPASSA-N 2 2 278.356 1.795 20 5 CDBDLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cccnc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000886840316 683731917 /nfs/dbraw/zinc/73/19/17/683731917.db2.gz YYIMTHNRWSOBLW-WZRBSPASSA-N 2 2 278.356 1.795 20 5 CDBDLP C[C@](CO)([NH2+]C[C@@]12C[C@@H]1C[NH2+]C2)c1cccc([N+](=O)[O-])c1 ZINC001576035938 1171317783 /nfs/dbraw/zinc/31/77/83/1171317783.db2.gz FVCPTYUFKCVLGG-YUELXQCFSA-N 2 2 291.351 1.001 20 5 CDBDLP CC[N@H+](CC[NH3+])CCOc1ccccc1[N+](=O)[O-] ZINC000600716934 342244266 /nfs/dbraw/zinc/24/42/66/342244266.db2.gz NFZNHGNEQOBSFZ-UHFFFAOYSA-N 2 2 253.302 1.254 20 5 CDBDLP CC[N@@H+](CC[NH3+])CCOc1ccccc1[N+](=O)[O-] ZINC000600716934 342244267 /nfs/dbraw/zinc/24/42/67/342244267.db2.gz NFZNHGNEQOBSFZ-UHFFFAOYSA-N 2 2 253.302 1.254 20 5 CDBDLP COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000619531104 349793197 /nfs/dbraw/zinc/79/31/97/349793197.db2.gz BPUOMCPFEQJRGU-TXEJJXNPSA-N 2 2 277.324 1.255 20 5 CDBDLP COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000619531104 349793199 /nfs/dbraw/zinc/79/31/99/349793199.db2.gz BPUOMCPFEQJRGU-TXEJJXNPSA-N 2 2 277.324 1.255 20 5 CDBDLP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000598680385 343875360 /nfs/dbraw/zinc/87/53/60/343875360.db2.gz AJBROWRKMGOFRG-TZMCWYRMSA-N 2 2 261.325 1.908 20 5 CDBDLP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000598680385 343875362 /nfs/dbraw/zinc/87/53/62/343875362.db2.gz AJBROWRKMGOFRG-TZMCWYRMSA-N 2 2 261.325 1.908 20 5 CDBDLP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC[NH+](C)C ZINC000299345389 358877554 /nfs/dbraw/zinc/87/75/54/358877554.db2.gz LYFCYLYMBRVSEN-LLVKDONJSA-N 2 2 294.355 1.463 20 5 CDBDLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000422796568 245267891 /nfs/dbraw/zinc/26/78/91/245267891.db2.gz YNBWHKMBYPZLCF-YPMHNXCESA-N 2 2 263.341 1.725 20 5 CDBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000347111863 374047266 /nfs/dbraw/zinc/04/72/66/374047266.db2.gz QCIFDHNLCMEHHW-NSHDSACASA-N 2 2 279.340 1.774 20 5 CDBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000347111863 374047277 /nfs/dbraw/zinc/04/72/77/374047277.db2.gz QCIFDHNLCMEHHW-NSHDSACASA-N 2 2 279.340 1.774 20 5 CDBDLP CC[N@H+](Cc1c([N+](=O)[O-])ncn1C)[C@@H]1CCC[NH2+]CC1 ZINC000435616978 248177549 /nfs/dbraw/zinc/17/75/49/248177549.db2.gz VGFCVFANOVWQKL-LLVKDONJSA-N 2 2 281.360 1.292 20 5 CDBDLP CC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)[C@@H]1CCC[NH2+]CC1 ZINC000435616978 248177552 /nfs/dbraw/zinc/17/75/52/248177552.db2.gz VGFCVFANOVWQKL-LLVKDONJSA-N 2 2 281.360 1.292 20 5 CDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+]CC1([NH3+])CCC1 ZINC000342139321 130297104 /nfs/dbraw/zinc/29/71/04/130297104.db2.gz PWMKAYURFWCLGO-UHFFFAOYSA-N 2 2 292.339 1.313 20 5 CDBDLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000442786510 392496468 /nfs/dbraw/zinc/49/64/68/392496468.db2.gz ZMQNUVRWEMRGAC-VHSXEESVSA-N 2 2 267.304 1.903 20 5 CDBDLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000442786510 392496474 /nfs/dbraw/zinc/49/64/74/392496474.db2.gz ZMQNUVRWEMRGAC-VHSXEESVSA-N 2 2 267.304 1.903 20 5 CDBDLP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000261597938 140361431 /nfs/dbraw/zinc/36/14/31/140361431.db2.gz PDUKYIPNQQMESV-JTQLQIEISA-N 2 2 267.304 1.775 20 5 CDBDLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000261597938 140361433 /nfs/dbraw/zinc/36/14/33/140361433.db2.gz PDUKYIPNQQMESV-JTQLQIEISA-N 2 2 267.304 1.775 20 5 CDBDLP CO[C@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000226422702 523995315 /nfs/dbraw/zinc/99/53/15/523995315.db2.gz UONCZRHLZRJWNR-CABCVRRESA-N 2 2 293.367 1.575 20 5 CDBDLP CO[C@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000226422702 523995319 /nfs/dbraw/zinc/99/53/19/523995319.db2.gz UONCZRHLZRJWNR-CABCVRRESA-N 2 2 293.367 1.575 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422721633 536956146 /nfs/dbraw/zinc/95/61/46/536956146.db2.gz VVXPZCYLIHJKAV-FUNVUKJBSA-N 2 2 291.351 1.976 20 5 CDBDLP C[NH+](C)c1ccc(N2CCC([NH2+]CC[N+](=O)[O-])CC2)cc1 ZINC000905140715 626653713 /nfs/dbraw/zinc/65/37/13/626653713.db2.gz VQVBVEQRHGPRJI-UHFFFAOYSA-N 2 2 292.383 1.588 20 5 CDBDLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817981251 685593419 /nfs/dbraw/zinc/59/34/19/685593419.db2.gz HWPPXWBECUGENA-ZYHUDNBSSA-N 2 2 294.355 1.206 20 5 CDBDLP COCC[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001579004176 1172077285 /nfs/dbraw/zinc/07/72/85/1172077285.db2.gz RHDJUCYBCDEEGA-ZYHUDNBSSA-N 2 2 267.329 1.609 20 5 CDBDLP O=[N+]([O-])c1ccnc(-n2c[nH+]cc2C2CC[NH2+]CC2)c1 ZINC001155052785 937627433 /nfs/dbraw/zinc/62/74/33/937627433.db2.gz GHQBZCTYMAHGBJ-UHFFFAOYSA-N 2 2 273.296 1.643 20 5 CDBDLP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1C[NH2+]CC12CC2 ZINC001246135172 947980237 /nfs/dbraw/zinc/98/02/37/947980237.db2.gz SVKOQVCOXMIPFT-BXUZGUMPSA-N 2 2 275.352 1.867 20 5 CDBDLP C[C@H]1C[C@H]([NH3+])C[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000601329894 342554712 /nfs/dbraw/zinc/55/47/12/342554712.db2.gz OEBUBZSMIATTGM-QWRGUYRKSA-N 2 2 265.313 1.395 20 5 CDBDLP C[C@H]1C[C@H]([NH3+])C[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000601329894 342554713 /nfs/dbraw/zinc/55/47/13/342554713.db2.gz OEBUBZSMIATTGM-QWRGUYRKSA-N 2 2 265.313 1.395 20 5 CDBDLP O=[N+]([O-])c1ccc2cc[nH+]c(N3C[C@@H]4C[NH2+]C[C@H]4C3)c2c1 ZINC000591139922 342618193 /nfs/dbraw/zinc/61/81/93/342618193.db2.gz LMWYHQNBRKJANQ-RYUDHWBXSA-N 2 2 284.319 1.799 20 5 CDBDLP [NH3+][C@@]12CCC[C@H]1C[N@H+](CCOc1ccccc1[N+](=O)[O-])C2 ZINC000598684380 343864995 /nfs/dbraw/zinc/86/49/95/343864995.db2.gz WIEJLRAGOZFLMN-SWLSCSKDSA-N 2 2 291.351 1.787 20 5 CDBDLP [NH3+][C@@]12CCC[C@H]1C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C2 ZINC000598684380 343864998 /nfs/dbraw/zinc/86/49/98/343864998.db2.gz WIEJLRAGOZFLMN-SWLSCSKDSA-N 2 2 291.351 1.787 20 5 CDBDLP C[NH+]1CCC([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000602504734 344456760 /nfs/dbraw/zinc/45/67/60/344456760.db2.gz UASXOAZEZAVJDB-UHFFFAOYSA-N 2 2 290.323 1.920 20 5 CDBDLP O=[N+]([O-])c1cnn(CC[N@@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000584354027 366387359 /nfs/dbraw/zinc/38/73/59/366387359.db2.gz YXTFYBKHCYBKFT-ZIAGYGMSSA-N 2 2 293.371 1.398 20 5 CDBDLP O=[N+]([O-])c1cnn(CC[N@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000584354027 366387367 /nfs/dbraw/zinc/38/73/67/366387367.db2.gz YXTFYBKHCYBKFT-ZIAGYGMSSA-N 2 2 293.371 1.398 20 5 CDBDLP CC[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000330889415 203358382 /nfs/dbraw/zinc/35/83/82/203358382.db2.gz VEQMYJRFEGSETG-CABCVRRESA-N 2 2 293.367 1.702 20 5 CDBDLP CC[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000330889415 203358387 /nfs/dbraw/zinc/35/83/87/203358387.db2.gz VEQMYJRFEGSETG-CABCVRRESA-N 2 2 293.367 1.702 20 5 CDBDLP COc1cc(C[N@@H+]2CC[C@@H](C[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000347089847 373741206 /nfs/dbraw/zinc/74/12/06/373741206.db2.gz DQNXRCKLTCHUCL-JTQLQIEISA-N 2 2 295.339 1.393 20 5 CDBDLP COc1cc(C[N@H+]2CC[C@@H](C[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000347089847 373741212 /nfs/dbraw/zinc/74/12/12/373741212.db2.gz DQNXRCKLTCHUCL-JTQLQIEISA-N 2 2 295.339 1.393 20 5 CDBDLP O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000252667292 140321764 /nfs/dbraw/zinc/32/17/64/140321764.db2.gz IFQSMYHTDFJCBU-GJZGRUSLSA-N 2 2 291.351 1.548 20 5 CDBDLP O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000252667292 140321765 /nfs/dbraw/zinc/32/17/65/140321765.db2.gz IFQSMYHTDFJCBU-GJZGRUSLSA-N 2 2 291.351 1.548 20 5 CDBDLP O=[N+]([O-])c1ccc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000261735142 140382031 /nfs/dbraw/zinc/38/20/31/140382031.db2.gz RRLOOUHDCXWTFR-HNNXBMFYSA-N 2 2 290.367 1.074 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000094341905 147084108 /nfs/dbraw/zinc/08/41/08/147084108.db2.gz DUGUGXXPLFHUOJ-GWCFXTLKSA-N 2 2 279.340 1.773 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000094341905 147084109 /nfs/dbraw/zinc/08/41/09/147084109.db2.gz DUGUGXXPLFHUOJ-GWCFXTLKSA-N 2 2 279.340 1.773 20 5 CDBDLP CC[N@H+](Cc1c([N+](=O)[O-])ncn1C)[C@H]1CCC[NH2+]CC1 ZINC000435616979 276353443 /nfs/dbraw/zinc/35/34/43/276353443.db2.gz VGFCVFANOVWQKL-NSHDSACASA-N 2 2 281.360 1.292 20 5 CDBDLP CC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)[C@H]1CCC[NH2+]CC1 ZINC000435616979 276353444 /nfs/dbraw/zinc/35/34/44/276353444.db2.gz VGFCVFANOVWQKL-NSHDSACASA-N 2 2 281.360 1.292 20 5 CDBDLP CC[N@H+](C)CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000564705583 293396761 /nfs/dbraw/zinc/39/67/61/293396761.db2.gz KDRZYHASVGQFFK-STQMWFEESA-N 2 2 295.387 1.816 20 5 CDBDLP CC[N@@H+](C)CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000564705583 293396762 /nfs/dbraw/zinc/39/67/62/293396762.db2.gz KDRZYHASVGQFFK-STQMWFEESA-N 2 2 295.387 1.816 20 5 CDBDLP COc1cc(C[N@H+](C)C2CC([NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000414768542 536746247 /nfs/dbraw/zinc/74/62/47/536746247.db2.gz IKLTWLZHZHOFNN-UHFFFAOYSA-N 2 2 295.339 1.534 20 5 CDBDLP COc1cc(C[N@@H+](C)C2CC([NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000414768542 536746249 /nfs/dbraw/zinc/74/62/49/536746249.db2.gz IKLTWLZHZHOFNN-UHFFFAOYSA-N 2 2 295.339 1.534 20 5 CDBDLP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000925596137 723683744 /nfs/dbraw/zinc/68/37/44/723683744.db2.gz JFWGHAOJZIJICG-ZDUSSCGKSA-N 2 2 279.340 1.704 20 5 CDBDLP C[C@@H]([NH3+])[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000128540909 344323723 /nfs/dbraw/zinc/32/37/23/344323723.db2.gz YNCPSOCWSBUYPC-RISCZKNCSA-N 2 2 279.340 1.185 20 5 CDBDLP C[C@@H]([NH3+])[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000128540909 344323726 /nfs/dbraw/zinc/32/37/26/344323726.db2.gz YNCPSOCWSBUYPC-RISCZKNCSA-N 2 2 279.340 1.185 20 5 CDBDLP CC[N@H+](C)C[C@H](O)C[NH+](C)CCc1ccccc1[N+](=O)[O-] ZINC000584538315 358151673 /nfs/dbraw/zinc/15/16/73/358151673.db2.gz MDNWMQZYIVZTNM-AWEZNQCLSA-N 2 2 295.383 1.382 20 5 CDBDLP CC[N@@H+](C)C[C@H](O)C[NH+](C)CCc1ccccc1[N+](=O)[O-] ZINC000584538315 358151676 /nfs/dbraw/zinc/15/16/76/358151676.db2.gz MDNWMQZYIVZTNM-AWEZNQCLSA-N 2 2 295.383 1.382 20 5 CDBDLP CC[NH+](C)C[C@H](O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000584538315 358151677 /nfs/dbraw/zinc/15/16/77/358151677.db2.gz MDNWMQZYIVZTNM-AWEZNQCLSA-N 2 2 295.383 1.382 20 5 CDBDLP CC[NH+](C)C[C@H](O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000584538315 358151681 /nfs/dbraw/zinc/15/16/81/358151681.db2.gz MDNWMQZYIVZTNM-AWEZNQCLSA-N 2 2 295.383 1.382 20 5 CDBDLP COc1ccc(C[N@H+](C)C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000036301514 361485326 /nfs/dbraw/zinc/48/53/26/361485326.db2.gz SOGOGIKLXGWSTE-UHFFFAOYSA-N 2 2 279.340 1.787 20 5 CDBDLP COc1ccc(C[N@@H+](C)C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000036301514 361485331 /nfs/dbraw/zinc/48/53/31/361485331.db2.gz SOGOGIKLXGWSTE-UHFFFAOYSA-N 2 2 279.340 1.787 20 5 CDBDLP C[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC[NH2+]1 ZINC000414945664 371138011 /nfs/dbraw/zinc/13/80/11/371138011.db2.gz IOWHCYWCBMLCEY-ONGXEEELSA-N 2 2 267.304 1.964 20 5 CDBDLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000113513667 374261212 /nfs/dbraw/zinc/26/12/12/374261212.db2.gz PBTBFTKFOUTJGM-ZDUSSCGKSA-N 2 2 263.341 1.978 20 5 CDBDLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000113513667 374261216 /nfs/dbraw/zinc/26/12/16/374261216.db2.gz PBTBFTKFOUTJGM-ZDUSSCGKSA-N 2 2 263.341 1.978 20 5 CDBDLP Cc1c(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)cccc1[N+](=O)[O-] ZINC000423079923 392958561 /nfs/dbraw/zinc/95/85/61/392958561.db2.gz RMQTUQGPEBUTTO-ZWNOBZJWSA-N 2 2 263.341 1.991 20 5 CDBDLP C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000305119448 287031237 /nfs/dbraw/zinc/03/12/37/287031237.db2.gz JBWQGRZLTJGYPC-ZWNOBZJWSA-N 2 2 267.329 1.168 20 5 CDBDLP C[NH2+][C@@H](C)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423393353 277294040 /nfs/dbraw/zinc/29/40/40/277294040.db2.gz PCBWSEICUVDGHB-QWRGUYRKSA-N 2 2 251.330 1.723 20 5 CDBDLP O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[NH2+]CC1 ZINC000071978881 279209887 /nfs/dbraw/zinc/20/98/87/279209887.db2.gz HMIDCTGLXXXCBF-UHFFFAOYSA-N 2 2 265.313 1.269 20 5 CDBDLP O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[NH2+]CC1 ZINC000071978881 279209889 /nfs/dbraw/zinc/20/98/89/279209889.db2.gz HMIDCTGLXXXCBF-UHFFFAOYSA-N 2 2 265.313 1.269 20 5 CDBDLP [NH3+]CCc1[nH+]ccn1-c1ccc([N+](=O)[O-])c2cnccc21 ZINC000052304524 527198819 /nfs/dbraw/zinc/19/88/19/527198819.db2.gz PCFLGKHNKUICNG-UHFFFAOYSA-N 2 2 283.291 1.830 20 5 CDBDLP CC(C)[N@H+](C)CC1CC[NH+](Cn2nccc2[N+](=O)[O-])CC1 ZINC000738088690 576037747 /nfs/dbraw/zinc/03/77/47/576037747.db2.gz FWCHXEVYYUEQMD-UHFFFAOYSA-N 2 2 295.387 1.801 20 5 CDBDLP CC(C)[N@@H+](C)CC1CC[NH+](Cn2nccc2[N+](=O)[O-])CC1 ZINC000738088690 576037749 /nfs/dbraw/zinc/03/77/49/576037749.db2.gz FWCHXEVYYUEQMD-UHFFFAOYSA-N 2 2 295.387 1.801 20 5 CDBDLP [NH3+][C@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000906507981 627296025 /nfs/dbraw/zinc/29/60/25/627296025.db2.gz FQJRHSMXLUVOMM-MGCOHNPYSA-N 2 2 255.705 1.828 20 5 CDBDLP [NH3+]C1CC([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000906509254 627297693 /nfs/dbraw/zinc/29/76/93/627297693.db2.gz CNNQQROGWKRXJZ-UHFFFAOYSA-N 2 2 255.705 1.828 20 5 CDBDLP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932177512 695981955 /nfs/dbraw/zinc/98/19/55/695981955.db2.gz AMUJOUQYWMTUPP-DOMZBBRYSA-N 2 2 295.383 1.947 20 5 CDBDLP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932177512 695981958 /nfs/dbraw/zinc/98/19/58/695981958.db2.gz AMUJOUQYWMTUPP-DOMZBBRYSA-N 2 2 295.383 1.947 20 5 CDBDLP CCC[N@H+](Cc1cccnc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000886829937 724145253 /nfs/dbraw/zinc/14/52/53/724145253.db2.gz JTCKXMKBHKLFGW-UHFFFAOYSA-N 2 2 278.356 1.954 20 5 CDBDLP CCC[N@@H+](Cc1cccnc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000886829937 724145257 /nfs/dbraw/zinc/14/52/57/724145257.db2.gz JTCKXMKBHKLFGW-UHFFFAOYSA-N 2 2 278.356 1.954 20 5 CDBDLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886830436 724566317 /nfs/dbraw/zinc/56/63/17/724566317.db2.gz QTAOXAANBDOPTA-QWRGUYRKSA-N 2 2 264.329 1.549 20 5 CDBDLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886830436 724566325 /nfs/dbraw/zinc/56/63/25/724566325.db2.gz QTAOXAANBDOPTA-QWRGUYRKSA-N 2 2 264.329 1.549 20 5 CDBDLP Cc1[nH]c(C2CC[NH+](CC[N+](=O)[O-])CC2)[nH+]c1C ZINC000931748681 725123981 /nfs/dbraw/zinc/12/39/81/725123981.db2.gz MXTXUNSIZKWELB-UHFFFAOYSA-N 2 2 252.318 1.483 20 5 CDBDLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886830435 725244377 /nfs/dbraw/zinc/24/43/77/725244377.db2.gz QTAOXAANBDOPTA-MNOVXSKESA-N 2 2 264.329 1.549 20 5 CDBDLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886830435 725244381 /nfs/dbraw/zinc/24/43/81/725244381.db2.gz QTAOXAANBDOPTA-MNOVXSKESA-N 2 2 264.329 1.549 20 5 CDBDLP C[C@H]([NH3+])C[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000863568214 725377840 /nfs/dbraw/zinc/37/78/40/725377840.db2.gz INMYZHFSKQWMEF-JTQLQIEISA-N 2 2 253.302 1.253 20 5 CDBDLP C[C@H]([NH3+])C[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000863568214 725377842 /nfs/dbraw/zinc/37/78/42/725377842.db2.gz INMYZHFSKQWMEF-JTQLQIEISA-N 2 2 253.302 1.253 20 5 CDBDLP [NH3+][C@@H]1COC[C@H]1[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172899829 912038961 /nfs/dbraw/zinc/03/89/61/912038961.db2.gz CZWLELZCEOHCDQ-NWANDNLSSA-N 2 2 291.351 1.158 20 5 CDBDLP CC1CC[NH+](CC[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168957862 927579763 /nfs/dbraw/zinc/57/97/63/927579763.db2.gz JUYQTWIDLMXTKH-UONOGXRCSA-N 2 2 269.389 1.753 20 5 CDBDLP C[N@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C1CC[NH+](C)CC1 ZINC001169007771 927611531 /nfs/dbraw/zinc/61/15/31/927611531.db2.gz QBZSUBUZSNKNAP-AAEUAGOBSA-N 2 2 255.362 1.458 20 5 CDBDLP C[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C1CC[NH+](C)CC1 ZINC001169007771 927611539 /nfs/dbraw/zinc/61/15/39/927611539.db2.gz QBZSUBUZSNKNAP-AAEUAGOBSA-N 2 2 255.362 1.458 20 5 CDBDLP COc1ccc(C[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)cc1[N+](=O)[O-] ZINC000591281829 342624356 /nfs/dbraw/zinc/62/43/56/342624356.db2.gz NFUKYEGZXLHDPF-QWRGUYRKSA-N 2 2 283.303 1.393 20 5 CDBDLP C[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC[NH2+]1 ZINC000414945663 370913886 /nfs/dbraw/zinc/91/38/86/370913886.db2.gz IOWHCYWCBMLCEY-MWLCHTKSSA-N 2 2 267.304 1.964 20 5 CDBDLP C[C@H]([NH3+])C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000442664147 392444244 /nfs/dbraw/zinc/44/42/44/392444244.db2.gz VSJHAYKWYIJKCJ-NSHDSACASA-N 2 2 279.340 1.785 20 5 CDBDLP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H]([NH3+])C1 ZINC001173217749 912302962 /nfs/dbraw/zinc/30/29/62/912302962.db2.gz LXFOXTJBZRIUBQ-AAEUAGOBSA-N 2 2 263.341 1.949 20 5 CDBDLP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H]([NH3+])C1 ZINC001173217749 912302988 /nfs/dbraw/zinc/30/29/88/912302988.db2.gz LXFOXTJBZRIUBQ-AAEUAGOBSA-N 2 2 263.341 1.949 20 5 CDBDLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000131620709 930188309 /nfs/dbraw/zinc/18/83/09/930188309.db2.gz PZDFRTPWQSQXAY-VHSXEESVSA-N 2 2 267.304 1.903 20 5 CDBDLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000131620709 930188314 /nfs/dbraw/zinc/18/83/14/930188314.db2.gz PZDFRTPWQSQXAY-VHSXEESVSA-N 2 2 267.304 1.903 20 5 CDBDLP O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@@H]1C[NH2+]CC13CC3)C2 ZINC001246127891 947974951 /nfs/dbraw/zinc/97/49/51/947974951.db2.gz CKLMLFHWAGFFLB-TZMCWYRMSA-N 2 2 273.336 1.404 20 5 CDBDLP C[C@H]([NH3+])[C@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000128541121 344323970 /nfs/dbraw/zinc/32/39/70/344323970.db2.gz YNCPSOCWSBUYPC-SMDDNHRTSA-N 2 2 279.340 1.185 20 5 CDBDLP C[C@H]([NH3+])[C@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000128541121 344323973 /nfs/dbraw/zinc/32/39/73/344323973.db2.gz YNCPSOCWSBUYPC-SMDDNHRTSA-N 2 2 279.340 1.185 20 5 CDBDLP CC[N@H+](C)C[C@@H](O)C[NH+](C)CCc1ccccc1[N+](=O)[O-] ZINC000584538316 358146919 /nfs/dbraw/zinc/14/69/19/358146919.db2.gz MDNWMQZYIVZTNM-CQSZACIVSA-N 2 2 295.383 1.382 20 5 CDBDLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)CCc1ccccc1[N+](=O)[O-] ZINC000584538316 358146924 /nfs/dbraw/zinc/14/69/24/358146924.db2.gz MDNWMQZYIVZTNM-CQSZACIVSA-N 2 2 295.383 1.382 20 5 CDBDLP CC[NH+](C)C[C@@H](O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000584538316 358146927 /nfs/dbraw/zinc/14/69/27/358146927.db2.gz MDNWMQZYIVZTNM-CQSZACIVSA-N 2 2 295.383 1.382 20 5 CDBDLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000584538316 358146931 /nfs/dbraw/zinc/14/69/31/358146931.db2.gz MDNWMQZYIVZTNM-CQSZACIVSA-N 2 2 295.383 1.382 20 5 CDBDLP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CCC[NH2+]C2)n1 ZINC000423189165 374372192 /nfs/dbraw/zinc/37/21/92/374372192.db2.gz MRLYJRRUBZJRKM-RWMBFGLXSA-N 2 2 293.371 1.617 20 5 CDBDLP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000358258332 375959373 /nfs/dbraw/zinc/95/93/73/375959373.db2.gz SXUXUVWNEVBUHP-SMDDNHRTSA-N 2 2 279.340 1.312 20 5 CDBDLP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000358258332 375959378 /nfs/dbraw/zinc/95/93/78/375959378.db2.gz SXUXUVWNEVBUHP-SMDDNHRTSA-N 2 2 279.340 1.312 20 5 CDBDLP COc1ccc(C[NH2+]C[C@H]2C[NH2+]CCCO2)cc1[N+](=O)[O-] ZINC000415045204 391249938 /nfs/dbraw/zinc/24/99/38/391249938.db2.gz SYARJUFXYIWLJU-GFCCVEGCSA-N 2 2 295.339 1.072 20 5 CDBDLP O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000044722148 175236787 /nfs/dbraw/zinc/23/67/87/175236787.db2.gz TYNIQUDIIJTZME-ZDUSSCGKSA-N 2 2 275.352 1.964 20 5 CDBDLP O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000044722148 175236788 /nfs/dbraw/zinc/23/67/88/175236788.db2.gz TYNIQUDIIJTZME-ZDUSSCGKSA-N 2 2 275.352 1.964 20 5 CDBDLP CC[N@H+](C)CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000564705582 293396703 /nfs/dbraw/zinc/39/67/03/293396703.db2.gz KDRZYHASVGQFFK-QWHCGFSZSA-N 2 2 295.387 1.816 20 5 CDBDLP CC[N@@H+](C)CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000564705582 293396704 /nfs/dbraw/zinc/39/67/04/293396704.db2.gz KDRZYHASVGQFFK-QWHCGFSZSA-N 2 2 295.387 1.816 20 5 CDBDLP COc1c(F)cc(NC(=[NH2+])SCC[NH3+])cc1[N+](=O)[O-] ZINC001167914509 1159944278 /nfs/dbraw/zinc/94/42/78/1159944278.db2.gz MJIWOJFDGKNAFW-UHFFFAOYSA-N 2 2 288.304 1.781 20 5 CDBDLP C[C@]1(C[NH3+])CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000261555856 525245064 /nfs/dbraw/zinc/24/50/64/525245064.db2.gz QDCLJQWYLXVLRV-LLVKDONJSA-N 2 2 255.343 1.827 20 5 CDBDLP C[C@]1(C[NH3+])CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000261555856 525245075 /nfs/dbraw/zinc/24/50/75/525245075.db2.gz QDCLJQWYLXVLRV-LLVKDONJSA-N 2 2 255.343 1.827 20 5 CDBDLP Cc1[nH+]cn([C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1CC[NH3+] ZINC001168966593 1161996169 /nfs/dbraw/zinc/99/61/69/1161996169.db2.gz JPVGKXTUQQEERF-MNOVXSKESA-N 2 2 252.318 1.311 20 5 CDBDLP O=[N+]([O-])CC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000931747089 729022725 /nfs/dbraw/zinc/02/27/25/729022725.db2.gz KOQXCOQNWONACQ-JKSUJKDBSA-N 2 2 289.379 1.717 20 5 CDBDLP O=[N+]([O-])CC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000931747089 729022729 /nfs/dbraw/zinc/02/27/29/729022729.db2.gz KOQXCOQNWONACQ-JKSUJKDBSA-N 2 2 289.379 1.717 20 5 CDBDLP O=[N+]([O-])CC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000931747089 729022732 /nfs/dbraw/zinc/02/27/32/729022732.db2.gz KOQXCOQNWONACQ-JKSUJKDBSA-N 2 2 289.379 1.717 20 5 CDBDLP O=[N+]([O-])CC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000931747089 729022737 /nfs/dbraw/zinc/02/27/37/729022737.db2.gz KOQXCOQNWONACQ-JKSUJKDBSA-N 2 2 289.379 1.717 20 5 CDBDLP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886838386 729923883 /nfs/dbraw/zinc/92/38/83/729923883.db2.gz WPXNRAKZMVNXMC-LBPRGKRZSA-N 2 2 264.329 1.693 20 5 CDBDLP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886838386 729923886 /nfs/dbraw/zinc/92/38/86/729923886.db2.gz WPXNRAKZMVNXMC-LBPRGKRZSA-N 2 2 264.329 1.693 20 5 CDBDLP [NH3+][C@@H]1C[C@H]1[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172908863 912037836 /nfs/dbraw/zinc/03/78/36/912037836.db2.gz ATIMVXJUIFWRBC-IACUBPJLSA-N 2 2 261.325 1.531 20 5 CDBDLP O=[N+]([O-])C[C@@H]1CC[C@H](n2cc[nH+]c2[C@@H]2CCC[NH2+]C2)C1 ZINC001169036007 927645042 /nfs/dbraw/zinc/64/50/42/927645042.db2.gz FAJRFFBOEVWIDS-UPJWGTAASA-N 2 2 278.356 1.968 20 5 CDBDLP Cc1cnc(N[C@]2(C[NH3+])C[NH+]3CCC2CC3)c([N+](=O)[O-])c1 ZINC001160507805 938791662 /nfs/dbraw/zinc/79/16/62/938791662.db2.gz BBYVTJLEEXNKKY-CQSZACIVSA-N 2 2 291.355 1.133 20 5 CDBDLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1cc2cccnc2c2ncccc12 ZINC001218980091 941296428 /nfs/dbraw/zinc/29/64/28/941296428.db2.gz RUNKJPCGFOICKK-LBPRGKRZSA-N 2 2 295.346 1.398 20 5 CDBDLP C[C@@H]1CC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@@H]1[NH3+] ZINC001246570691 948291071 /nfs/dbraw/zinc/29/10/71/948291071.db2.gz SIJJPMYUQDAPTM-KMUNFCNLSA-N 2 2 275.352 1.731 20 5 CDBDLP C[C@@H]1CC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@@H]1[NH3+] ZINC001246570691 948291077 /nfs/dbraw/zinc/29/10/77/948291077.db2.gz SIJJPMYUQDAPTM-KMUNFCNLSA-N 2 2 275.352 1.731 20 5 CDBDLP Cc1cc(N(C)CC[NH3+])nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000420274410 244009390 /nfs/dbraw/zinc/00/93/90/244009390.db2.gz DUHAMIDKZOTLCN-UHFFFAOYSA-N 2 2 287.323 1.755 20 5 CDBDLP C[N@H+](CCOc1ccccc1[N+](=O)[O-])C1(C[NH3+])CCC1 ZINC000420335421 244103626 /nfs/dbraw/zinc/10/36/26/244103626.db2.gz UWFVTJWKLZMAMF-UHFFFAOYSA-N 2 2 279.340 1.787 20 5 CDBDLP C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C1(C[NH3+])CCC1 ZINC000420335421 244103629 /nfs/dbraw/zinc/10/36/29/244103629.db2.gz UWFVTJWKLZMAMF-UHFFFAOYSA-N 2 2 279.340 1.787 20 5 CDBDLP [NH3+]CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000262690687 149096946 /nfs/dbraw/zinc/09/69/46/149096946.db2.gz AGBMBIIJFOBVDL-UHFFFAOYSA-N 2 2 265.313 1.397 20 5 CDBDLP C[NH2+]CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000423242846 277272654 /nfs/dbraw/zinc/27/26/54/277272654.db2.gz JKKNELRIMUIFHP-MNOVXSKESA-N 2 2 267.333 1.084 20 5 CDBDLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000158632318 733153947 /nfs/dbraw/zinc/15/39/47/733153947.db2.gz ZDNIIAACQAHOEI-BXUZGUMPSA-N 2 2 290.323 1.503 20 5 CDBDLP [NH3+]CCc1[nH+]ccn1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254580534 947537301 /nfs/dbraw/zinc/53/73/01/947537301.db2.gz DOEKQKSKOUIYQU-ZDUSSCGKSA-N 2 2 272.308 1.632 20 5 CDBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CCC[NH3+] ZINC000592473968 342698920 /nfs/dbraw/zinc/69/89/20/342698920.db2.gz XXVNIRYMFJBHEB-SNVBAGLBSA-N 2 2 280.328 1.202 20 5 CDBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)CCC[NH3+] ZINC000592473968 342698921 /nfs/dbraw/zinc/69/89/21/342698921.db2.gz XXVNIRYMFJBHEB-SNVBAGLBSA-N 2 2 280.328 1.202 20 5 CDBDLP O=[N+]([O-])c1cccc(N2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)c1 ZINC000592984409 342751309 /nfs/dbraw/zinc/75/13/09/342751309.db2.gz LPLZMTMVJQSPNK-ZDUSSCGKSA-N 2 2 290.367 1.326 20 5 CDBDLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H]1C ZINC000603435296 344808789 /nfs/dbraw/zinc/80/87/89/344808789.db2.gz XKEZBDAXEIRVIN-UTUOFQBUSA-N 2 2 281.360 1.239 20 5 CDBDLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H]1C ZINC000603435296 344808790 /nfs/dbraw/zinc/80/87/90/344808790.db2.gz XKEZBDAXEIRVIN-UTUOFQBUSA-N 2 2 281.360 1.239 20 5 CDBDLP C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC(C)(C)[NH3+] ZINC000261896664 357339279 /nfs/dbraw/zinc/33/92/79/357339279.db2.gz YEBODAWGVWNPFM-UHFFFAOYSA-N 2 2 251.330 1.806 20 5 CDBDLP C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC(C)(C)[NH3+] ZINC000261896664 357339281 /nfs/dbraw/zinc/33/92/81/357339281.db2.gz YEBODAWGVWNPFM-UHFFFAOYSA-N 2 2 251.330 1.806 20 5 CDBDLP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC[NH+](C)C ZINC000337992814 358657015 /nfs/dbraw/zinc/65/70/15/358657015.db2.gz RCJOYIKUJMRNSQ-NSHDSACASA-N 2 2 294.355 1.463 20 5 CDBDLP Cc1ccc([C@H](C)[NH2+]C[C@@H](O)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000305162822 359050413 /nfs/dbraw/zinc/05/04/13/359050413.db2.gz XLIPCNMVONFRTM-WCQYABFASA-N 2 2 281.356 1.476 20 5 CDBDLP COc1cc(C[NH2+][C@@H](C)C[NH3+])c([N+](=O)[O-])cc1OC ZINC000414933562 371144127 /nfs/dbraw/zinc/14/41/27/371144127.db2.gz ARYCHFRYYJAPHO-QMMMGPOBSA-N 2 2 269.301 1.049 20 5 CDBDLP Cc1ccc([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCN2C)cc1[N+](=O)[O-] ZINC000423473658 374383388 /nfs/dbraw/zinc/38/33/88/374383388.db2.gz HKWUGOMNAGNCHL-TZMCWYRMSA-N 2 2 292.383 1.457 20 5 CDBDLP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000423530190 374388514 /nfs/dbraw/zinc/38/85/14/374388514.db2.gz WONOWGGOUKSVDD-YPMHNXCESA-N 2 2 279.340 1.542 20 5 CDBDLP Cc1c([C@@H](C)[NH2+]C[C@@H](O)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000154310372 374696108 /nfs/dbraw/zinc/69/61/08/374696108.db2.gz YZIPYLNCVBQTDV-VXGBXAGGSA-N 2 2 281.356 1.476 20 5 CDBDLP C[C@H]([NH2+]CC1([NH3+])CCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000342121937 130278280 /nfs/dbraw/zinc/27/82/80/130278280.db2.gz HAPUOKRQZYKAQO-JTQLQIEISA-N 2 2 292.339 1.393 20 5 CDBDLP Cc1cc(N2CC[C@H]([NH3+])C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000420172139 392900616 /nfs/dbraw/zinc/90/06/16/392900616.db2.gz ORIWLSQJZLMYNY-LBPRGKRZSA-N 2 2 299.334 1.898 20 5 CDBDLP C[NH2+]C[C@@H]1CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000430562284 393100974 /nfs/dbraw/zinc/10/09/74/393100974.db2.gz QFCXLIRSGVYCTO-ZDUSSCGKSA-N 2 2 279.340 1.657 20 5 CDBDLP C[NH2+]C[C@@H]1CCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000430562284 393100980 /nfs/dbraw/zinc/10/09/80/393100980.db2.gz QFCXLIRSGVYCTO-ZDUSSCGKSA-N 2 2 279.340 1.657 20 5 CDBDLP [NH3+]C[C@@H]1CCCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000430648975 393104987 /nfs/dbraw/zinc/10/49/87/393104987.db2.gz ROCYKDMDDZCGPW-ZDUSSCGKSA-N 2 2 279.340 1.787 20 5 CDBDLP [NH3+]C[C@@H]1CCCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000430648975 393104995 /nfs/dbraw/zinc/10/49/95/393104995.db2.gz ROCYKDMDDZCGPW-ZDUSSCGKSA-N 2 2 279.340 1.787 20 5 CDBDLP O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCn1cc[nH+]c1)CC2 ZINC000131682599 393065480 /nfs/dbraw/zinc/06/54/80/393065480.db2.gz LFTOXDCDVZSJPD-UHFFFAOYSA-N 2 2 272.308 1.850 20 5 CDBDLP O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCn1cc[nH+]c1)CC2 ZINC000131682599 393065485 /nfs/dbraw/zinc/06/54/85/393065485.db2.gz LFTOXDCDVZSJPD-UHFFFAOYSA-N 2 2 272.308 1.850 20 5 CDBDLP C[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[C@@H]1[NH3+] ZINC000430946807 393107249 /nfs/dbraw/zinc/10/72/49/393107249.db2.gz YBXPLCXQMPVOFD-KOLCDFICSA-N 2 2 290.323 1.905 20 5 CDBDLP C[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[C@@H]1[NH3+] ZINC000430946807 393107256 /nfs/dbraw/zinc/10/72/56/393107256.db2.gz YBXPLCXQMPVOFD-KOLCDFICSA-N 2 2 290.323 1.905 20 5 CDBDLP Cc1c(C[NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000231883691 140219885 /nfs/dbraw/zinc/21/98/85/140219885.db2.gz OANGXKBOXUCOTM-FZMZJTMJSA-N 2 2 293.367 1.760 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261728053 140381820 /nfs/dbraw/zinc/38/18/20/140381820.db2.gz QWAMRNNICQAGST-SMDDNHRTSA-N 2 2 291.351 1.787 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261728053 140381821 /nfs/dbraw/zinc/38/18/21/140381821.db2.gz QWAMRNNICQAGST-SMDDNHRTSA-N 2 2 291.351 1.787 20 5 CDBDLP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CC[NH2+]C1 ZINC000423208354 397602990 /nfs/dbraw/zinc/60/29/90/397602990.db2.gz TVDSOPMRXGGVOP-ZYHUDNBSSA-N 2 2 292.339 1.263 20 5 CDBDLP [NH3+][C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000346085683 153047118 /nfs/dbraw/zinc/04/71/18/153047118.db2.gz UGDWZZMUXOTJCP-LLVKDONJSA-N 2 2 292.339 1.347 20 5 CDBDLP [NH3+][C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000346085683 153047119 /nfs/dbraw/zinc/04/71/19/153047119.db2.gz UGDWZZMUXOTJCP-LLVKDONJSA-N 2 2 292.339 1.347 20 5 CDBDLP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000347044543 153390791 /nfs/dbraw/zinc/39/07/91/153390791.db2.gz NENBZZAHHAVOKC-CYBMUJFWSA-N 2 2 263.341 1.945 20 5 CDBDLP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000347044543 153390792 /nfs/dbraw/zinc/39/07/92/153390792.db2.gz NENBZZAHHAVOKC-CYBMUJFWSA-N 2 2 263.341 1.945 20 5 CDBDLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000563352563 316263424 /nfs/dbraw/zinc/26/34/24/316263424.db2.gz JFVCGJMDASAHHH-FZMZJTMJSA-N 2 2 281.356 1.558 20 5 CDBDLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000563352563 316263427 /nfs/dbraw/zinc/26/34/27/316263427.db2.gz JFVCGJMDASAHHH-FZMZJTMJSA-N 2 2 281.356 1.558 20 5 CDBDLP C[N@@H+]1CCC[C@@H](C[NH2+]CC[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000905133063 626647409 /nfs/dbraw/zinc/64/74/09/626647409.db2.gz OTWUDNPJIBABAE-WCQYABFASA-N 2 2 283.397 1.997 20 5 CDBDLP C[N@H+]1CCC[C@@H](C[NH2+]CC[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000905133063 626647412 /nfs/dbraw/zinc/64/74/12/626647412.db2.gz OTWUDNPJIBABAE-WCQYABFASA-N 2 2 283.397 1.997 20 5 CDBDLP C[C@H]([NH3+])C[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000863567054 734324746 /nfs/dbraw/zinc/32/47/46/734324746.db2.gz BGYDMOAMLINTAE-VIFPVBQESA-N 2 2 298.318 1.342 20 5 CDBDLP C[C@H]([NH3+])C[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000863567054 734324749 /nfs/dbraw/zinc/32/47/49/734324749.db2.gz BGYDMOAMLINTAE-VIFPVBQESA-N 2 2 298.318 1.342 20 5 CDBDLP O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCCn2cc[nH+]c2)C1 ZINC001168958828 927578904 /nfs/dbraw/zinc/57/89/04/927578904.db2.gz QDMNLWLKBBVJBC-RYUDHWBXSA-N 2 2 252.318 1.308 20 5 CDBDLP [NH3+][C@@H]1C[C@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254467934 947452087 /nfs/dbraw/zinc/45/20/87/947452087.db2.gz GGSWDIGTIFAAPO-ZIAGYGMSSA-N 2 2 276.340 1.253 20 5 CDBDLP CC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001335338483 959724757 /nfs/dbraw/zinc/72/47/57/959724757.db2.gz SSVGQGKHSQEOHD-GJZGRUSLSA-N 2 2 293.367 1.702 20 5 CDBDLP CC[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001335338483 959724771 /nfs/dbraw/zinc/72/47/71/959724771.db2.gz SSVGQGKHSQEOHD-GJZGRUSLSA-N 2 2 293.367 1.702 20 5 CDBDLP O=[N+]([O-])c1ccccc1N1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000592475949 342698812 /nfs/dbraw/zinc/69/88/12/342698812.db2.gz XIQVLHYXDSQQQZ-CYBMUJFWSA-N 2 2 290.367 1.326 20 5 CDBDLP COc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000107578056 186179242 /nfs/dbraw/zinc/17/92/42/186179242.db2.gz SJRMGDCRIVSVOY-TXEJJXNPSA-N 2 2 277.324 1.255 20 5 CDBDLP COc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000107578056 186179243 /nfs/dbraw/zinc/17/92/43/186179243.db2.gz SJRMGDCRIVSVOY-TXEJJXNPSA-N 2 2 277.324 1.255 20 5 CDBDLP C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H](C[NH3+])C1CC1 ZINC000359875195 356429286 /nfs/dbraw/zinc/42/92/86/356429286.db2.gz JZRDNCMKEQAYRG-AWEZNQCLSA-N 2 2 279.340 1.643 20 5 CDBDLP C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H](C[NH3+])C1CC1 ZINC000359875195 356429294 /nfs/dbraw/zinc/42/92/94/356429294.db2.gz JZRDNCMKEQAYRG-AWEZNQCLSA-N 2 2 279.340 1.643 20 5 CDBDLP O=[N+]([O-])c1ccn(CC[N@@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)n1 ZINC000584460322 357688926 /nfs/dbraw/zinc/68/89/26/357688926.db2.gz WYSZISGQFAKXPY-OLZOCXBDSA-N 2 2 293.371 1.398 20 5 CDBDLP O=[N+]([O-])c1ccn(CC[N@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)n1 ZINC000584460322 357688932 /nfs/dbraw/zinc/68/89/32/357688932.db2.gz WYSZISGQFAKXPY-OLZOCXBDSA-N 2 2 293.371 1.398 20 5 CDBDLP COc1cc(C[NH2+][C@H](C)C[NH3+])c([N+](=O)[O-])cc1OC ZINC000414921310 370301582 /nfs/dbraw/zinc/30/15/82/370301582.db2.gz ARYCHFRYYJAPHO-MRVPVSSYSA-N 2 2 269.301 1.049 20 5 CDBDLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000422796929 245267317 /nfs/dbraw/zinc/26/73/17/245267317.db2.gz ZLQIDIBIPGEYBT-OCCSQVGLSA-N 2 2 293.367 1.494 20 5 CDBDLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)c1ccc([N+](=O)[O-])cc1 ZINC000423486332 374386557 /nfs/dbraw/zinc/38/65/57/374386557.db2.gz WIECRKWQPQWHIE-RISCZKNCSA-N 2 2 278.356 1.149 20 5 CDBDLP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1cccc([N+](=O)[O-])c1 ZINC000423523851 374387752 /nfs/dbraw/zinc/38/77/52/374387752.db2.gz NUJZHNCRLJXNHQ-KBPBESRZSA-N 2 2 279.340 1.624 20 5 CDBDLP NC(=O)c1ccc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])c([N+](=O)[O-])c1 ZINC000424289809 374407193 /nfs/dbraw/zinc/40/71/93/374407193.db2.gz CIEZSGGJULEJEC-VXGBXAGGSA-N 2 2 292.339 1.053 20 5 CDBDLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000351864402 375336657 /nfs/dbraw/zinc/33/66/57/375336657.db2.gz XONJODUHWAFYMI-VHSXEESVSA-N 2 2 267.304 1.903 20 5 CDBDLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000351864402 375336666 /nfs/dbraw/zinc/33/66/66/375336666.db2.gz XONJODUHWAFYMI-VHSXEESVSA-N 2 2 267.304 1.903 20 5 CDBDLP O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000494445443 393233261 /nfs/dbraw/zinc/23/32/61/393233261.db2.gz QSQPTKAWYFGPEO-GFCCVEGCSA-N 2 2 272.308 1.896 20 5 CDBDLP O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000252667293 140321995 /nfs/dbraw/zinc/32/19/95/140321995.db2.gz IFQSMYHTDFJCBU-LSDHHAIUSA-N 2 2 291.351 1.548 20 5 CDBDLP O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000252667293 140321997 /nfs/dbraw/zinc/32/19/97/140321997.db2.gz IFQSMYHTDFJCBU-LSDHHAIUSA-N 2 2 291.351 1.548 20 5 CDBDLP O=[N+]([O-])CC[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000899869420 622495156 /nfs/dbraw/zinc/49/51/56/622495156.db2.gz FYKFGDPLLOPBGX-UHFFFAOYSA-N 2 2 263.341 1.301 20 5 CDBDLP O=[N+]([O-])CC[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000899869420 622495158 /nfs/dbraw/zinc/49/51/58/622495158.db2.gz FYKFGDPLLOPBGX-UHFFFAOYSA-N 2 2 263.341 1.301 20 5 CDBDLP COc1ccc(C[C@H](C)[NH2+][C@@H]2C[C@H]2[NH3+])c([N+](=O)[O-])c1 ZINC001170306465 1162339392 /nfs/dbraw/zinc/33/93/92/1162339392.db2.gz VNUAAAIAJFUMMI-XXILOJSOSA-N 2 2 265.313 1.224 20 5 CDBDLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168957858 927579257 /nfs/dbraw/zinc/57/92/57/927579257.db2.gz JTFYIJXURAZPEF-UPJWGTAASA-N 2 2 255.362 1.506 20 5 CDBDLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168957858 927579271 /nfs/dbraw/zinc/57/92/71/927579271.db2.gz JTFYIJXURAZPEF-UPJWGTAASA-N 2 2 255.362 1.506 20 5 CDBDLP O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CC[NH+]2CCCCCC2)C1 ZINC001168968132 927590967 /nfs/dbraw/zinc/59/09/67/927590967.db2.gz WKIIKBRFVFDUAI-ZIAGYGMSSA-N 2 2 269.389 1.897 20 5 CDBDLP Cc1[nH+]c2c(n1[C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC[NH2+]CC2 ZINC001169014446 927619902 /nfs/dbraw/zinc/61/99/02/927619902.db2.gz ZWIYVVUXGVDOOI-NEPJUHHUSA-N 2 2 278.356 1.498 20 5 CDBDLP CC[NH+](CC)CC[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254568470 947530362 /nfs/dbraw/zinc/53/03/62/947530362.db2.gz ULBKFXXIJJCOLN-CQSZACIVSA-N 2 2 277.368 1.993 20 5 CDBDLP O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CC[NH+]1CCCC1)C2 ZINC001254571259 947531558 /nfs/dbraw/zinc/53/15/58/947531558.db2.gz RJMUZTGSZBWBDS-AWEZNQCLSA-N 2 2 275.352 1.747 20 5 CDBDLP Cc1noc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000595344695 343044198 /nfs/dbraw/zinc/04/41/98/343044198.db2.gz NTEMVMFQHQGRMM-UHFFFAOYSA-N 2 2 291.311 1.994 20 5 CDBDLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000596652802 343371689 /nfs/dbraw/zinc/37/16/89/343371689.db2.gz IBVMNMGAKCHAMO-GHMZBOCLSA-N 2 2 294.355 1.509 20 5 CDBDLP C[NH+](C)C1CC[NH+](CCNc2cccnc2[N+](=O)[O-])CC1 ZINC000610510564 346300103 /nfs/dbraw/zinc/30/01/03/346300103.db2.gz YQHXEPHTYWGTAS-UHFFFAOYSA-N 2 2 293.371 1.428 20 5 CDBDLP COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000106468327 186119601 /nfs/dbraw/zinc/11/96/01/186119601.db2.gz IKVFSIUZZYHOMZ-GFCCVEGCSA-N 2 2 279.340 1.787 20 5 CDBDLP COc1ccc(C[NH2+]C[C@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000106468327 186119603 /nfs/dbraw/zinc/11/96/03/186119603.db2.gz IKVFSIUZZYHOMZ-GFCCVEGCSA-N 2 2 279.340 1.787 20 5 CDBDLP COc1cc(C[NH2+]C[C@@H]([NH3+])C(C)C)c([N+](=O)[O-])cc1OC ZINC000414798982 241392631 /nfs/dbraw/zinc/39/26/31/241392631.db2.gz QUEILFTYRKOWNK-LLVKDONJSA-N 2 2 297.355 1.685 20 5 CDBDLP COc1cc(C[NH2+]CC(C)(C)[NH3+])c([N+](=O)[O-])cc1OC ZINC000414806914 241398182 /nfs/dbraw/zinc/39/81/82/241398182.db2.gz QRNUWRAUZNAEHF-UHFFFAOYSA-N 2 2 283.328 1.439 20 5 CDBDLP Cc1c([C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000330874875 203339853 /nfs/dbraw/zinc/33/98/53/203339853.db2.gz ISLVUCBVCVTNIP-DOMZBBRYSA-N 2 2 293.367 1.620 20 5 CDBDLP Cc1c([C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000330874875 203339856 /nfs/dbraw/zinc/33/98/56/203339856.db2.gz ISLVUCBVCVTNIP-DOMZBBRYSA-N 2 2 293.367 1.620 20 5 CDBDLP CC[C@H]([NH3+])C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000414973148 371196771 /nfs/dbraw/zinc/19/67/71/371196771.db2.gz BVAJBAUSSOPVDE-JTQLQIEISA-N 2 2 253.302 1.430 20 5 CDBDLP COc1ccc(C[N@H+](C)[C@@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000160110961 375721364 /nfs/dbraw/zinc/72/13/64/375721364.db2.gz TVYTZERQWVJGHD-ZDUSSCGKSA-N 2 2 279.340 1.773 20 5 CDBDLP COc1ccc(C[N@@H+](C)[C@@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000160110961 375721370 /nfs/dbraw/zinc/72/13/70/375721370.db2.gz TVYTZERQWVJGHD-ZDUSSCGKSA-N 2 2 279.340 1.773 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000129146111 391637093 /nfs/dbraw/zinc/63/70/93/391637093.db2.gz XFUISRLVXLLZQS-CMPLNLGQSA-N 2 2 279.340 1.915 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000129146111 391637095 /nfs/dbraw/zinc/63/70/95/391637095.db2.gz XFUISRLVXLLZQS-CMPLNLGQSA-N 2 2 279.340 1.915 20 5 CDBDLP CC[C@H]([NH2+]CC[NH2+]CCOC)c1cccc([N+](=O)[O-])c1 ZINC000423314435 392960027 /nfs/dbraw/zinc/96/00/27/392960027.db2.gz HERXCWSUJKCCBY-AWEZNQCLSA-N 2 2 281.356 1.872 20 5 CDBDLP O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000261586760 140356635 /nfs/dbraw/zinc/35/66/35/140356635.db2.gz JBVUJYHBNJVYGS-JSGCOSHPSA-N 2 2 261.325 1.779 20 5 CDBDLP O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000261586760 140356636 /nfs/dbraw/zinc/35/66/36/140356636.db2.gz JBVUJYHBNJVYGS-JSGCOSHPSA-N 2 2 261.325 1.779 20 5 CDBDLP O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261588720 140358176 /nfs/dbraw/zinc/35/81/76/140358176.db2.gz KHTZYKKTBMVUDZ-WCQYABFASA-N 2 2 261.325 1.779 20 5 CDBDLP O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261588720 140358177 /nfs/dbraw/zinc/35/81/77/140358177.db2.gz KHTZYKKTBMVUDZ-WCQYABFASA-N 2 2 261.325 1.779 20 5 CDBDLP COc1cc(C[NH2+]CC2([NH3+])CCC2)c([N+](=O)[O-])cc1OC ZINC000414875643 263089927 /nfs/dbraw/zinc/08/99/27/263089927.db2.gz CGELRBAQKVJQPJ-UHFFFAOYSA-N 2 2 295.339 1.583 20 5 CDBDLP O=[N+]([O-])c1ccc(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)cc1 ZINC000569062621 294148329 /nfs/dbraw/zinc/14/83/29/294148329.db2.gz ZVFCLSHGNTYRMP-UHFFFAOYSA-N 2 2 287.323 1.640 20 5 CDBDLP Cc1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000358166583 524580040 /nfs/dbraw/zinc/58/00/40/524580040.db2.gz MKCWSXLGISTMHH-AWEZNQCLSA-N 2 2 279.340 1.059 20 5 CDBDLP Cc1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000358166583 524580042 /nfs/dbraw/zinc/58/00/42/524580042.db2.gz MKCWSXLGISTMHH-AWEZNQCLSA-N 2 2 279.340 1.059 20 5 CDBDLP C[N@@H+]1CCC[C@H](C[NH2+]CC[N+](=O)[O-])[C@H]1c1cccs1 ZINC000905133067 626647351 /nfs/dbraw/zinc/64/73/51/626647351.db2.gz OTWUDNPJIBABAE-YPMHNXCESA-N 2 2 283.397 1.997 20 5 CDBDLP C[N@H+]1CCC[C@H](C[NH2+]CC[N+](=O)[O-])[C@H]1c1cccs1 ZINC000905133067 626647352 /nfs/dbraw/zinc/64/73/52/626647352.db2.gz OTWUDNPJIBABAE-YPMHNXCESA-N 2 2 283.397 1.997 20 5 CDBDLP COc1cc(C[NH2+][C@H]2C[C@H]([NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000906508719 627296556 /nfs/dbraw/zinc/29/65/56/627296556.db2.gz WOQVIQABECAGFV-MGCOHNPYSA-N 2 2 281.312 1.191 20 5 CDBDLP Cc1c(NC(=O)CC[N@@H+](C)C[C@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000863569063 740235492 /nfs/dbraw/zinc/23/54/92/740235492.db2.gz PLJDIJKUWOEBNO-JTQLQIEISA-N 2 2 294.355 1.511 20 5 CDBDLP Cc1c(NC(=O)CC[N@H+](C)C[C@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000863569063 740235494 /nfs/dbraw/zinc/23/54/94/740235494.db2.gz PLJDIJKUWOEBNO-JTQLQIEISA-N 2 2 294.355 1.511 20 5 CDBDLP O=[N+]([O-])c1ncccc1C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000886839910 741379474 /nfs/dbraw/zinc/37/94/74/741379474.db2.gz ONAPYQGVSRXJCW-OCCSQVGLSA-N 2 2 290.367 1.954 20 5 CDBDLP O=[N+]([O-])c1ncccc1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000886839910 741379477 /nfs/dbraw/zinc/37/94/77/741379477.db2.gz ONAPYQGVSRXJCW-OCCSQVGLSA-N 2 2 290.367 1.954 20 5 CDBDLP CC1(C)[NH2+]CC[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000925596136 741413997 /nfs/dbraw/zinc/41/39/97/741413997.db2.gz JFWGHAOJZIJICG-CYBMUJFWSA-N 2 2 279.340 1.704 20 5 CDBDLP O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@H]2CC[N@@H+](C3CCOCC3)C2)C1 ZINC001168991230 927628944 /nfs/dbraw/zinc/62/89/44/927628944.db2.gz FYJNJCYDUYQDGL-MJBXVCDLSA-N 2 2 297.399 1.275 20 5 CDBDLP O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@H]2CC[N@H+](C3CCOCC3)C2)C1 ZINC001168991230 927628949 /nfs/dbraw/zinc/62/89/49/927628949.db2.gz FYJNJCYDUYQDGL-MJBXVCDLSA-N 2 2 297.399 1.275 20 5 CDBDLP CC[N@H+](CCn1cc[nH+]c1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169049144 927666810 /nfs/dbraw/zinc/66/68/10/927666810.db2.gz VZXDBLBSXXZPKE-QWHCGFSZSA-N 2 2 266.345 1.650 20 5 CDBDLP CC[N@@H+](CCn1cc[nH+]c1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169049144 927666814 /nfs/dbraw/zinc/66/68/14/927666814.db2.gz VZXDBLBSXXZPKE-QWHCGFSZSA-N 2 2 266.345 1.650 20 5 CDBDLP Cc1[nH+]c2c(n1-c1ncc([N+](=O)[O-])cc1F)CC[NH2+]CC2 ZINC001165353208 939550535 /nfs/dbraw/zinc/55/05/35/939550535.db2.gz MIWSKZPJBVEPPK-UHFFFAOYSA-N 2 2 291.286 1.311 20 5 CDBDLP [NH3+]CCc1[nH+]ccn1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254580533 947538223 /nfs/dbraw/zinc/53/82/23/947538223.db2.gz DOEKQKSKOUIYQU-CYBMUJFWSA-N 2 2 272.308 1.632 20 5 CDBDLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001246537272 948238024 /nfs/dbraw/zinc/23/80/24/948238024.db2.gz HJBMSJRZDJRGOJ-NZVBXONLSA-N 2 2 275.352 1.874 20 5 CDBDLP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001246537272 948238032 /nfs/dbraw/zinc/23/80/32/948238032.db2.gz HJBMSJRZDJRGOJ-NZVBXONLSA-N 2 2 275.352 1.874 20 5 CDBDLP CCOc1ccc([C@H](C)[NH2+]C[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000591581421 342638031 /nfs/dbraw/zinc/63/80/31/342638031.db2.gz VUESKBANDWHXFW-UWVGGRQHSA-N 2 2 267.329 1.991 20 5 CDBDLP [NH3+][C@@]12CCC[C@H]1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000598680382 343875341 /nfs/dbraw/zinc/87/53/41/343875341.db2.gz AJBROWRKMGOFRG-GXTWGEPZSA-N 2 2 261.325 1.908 20 5 CDBDLP [NH3+][C@@]12CCC[C@H]1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000598680382 343875342 /nfs/dbraw/zinc/87/53/42/343875342.db2.gz AJBROWRKMGOFRG-GXTWGEPZSA-N 2 2 261.325 1.908 20 5 CDBDLP C[C@@H](CC[NH+]1CCOCC1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000076898116 368069185 /nfs/dbraw/zinc/06/91/85/368069185.db2.gz OYFJRSMCMSBFJC-ZDUSSCGKSA-N 2 2 293.367 1.795 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000422711425 245169318 /nfs/dbraw/zinc/16/93/18/245169318.db2.gz GYIHPRGYJMHUIC-RYUDHWBXSA-N 2 2 265.313 1.573 20 5 CDBDLP CC[C@@H]([NH3+])C[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000414972250 371196968 /nfs/dbraw/zinc/19/69/68/371196968.db2.gz AQEPFVDZLLSRGX-SNVBAGLBSA-N 2 2 283.328 1.439 20 5 CDBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000347111861 374047937 /nfs/dbraw/zinc/04/79/37/374047937.db2.gz QCIFDHNLCMEHHW-LLVKDONJSA-N 2 2 279.340 1.774 20 5 CDBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000347111861 374047941 /nfs/dbraw/zinc/04/79/41/374047941.db2.gz QCIFDHNLCMEHHW-LLVKDONJSA-N 2 2 279.340 1.774 20 5 CDBDLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000113513293 374260803 /nfs/dbraw/zinc/26/08/03/374260803.db2.gz GXEIDEFSBGTMOU-ZDUSSCGKSA-N 2 2 263.341 1.978 20 5 CDBDLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000113513293 374260810 /nfs/dbraw/zinc/26/08/10/374260810.db2.gz GXEIDEFSBGTMOU-ZDUSSCGKSA-N 2 2 263.341 1.978 20 5 CDBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000415097919 391257048 /nfs/dbraw/zinc/25/70/48/391257048.db2.gz ULDLYTJFULGRAX-CYBMUJFWSA-N 2 2 295.339 1.072 20 5 CDBDLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000442786511 392496368 /nfs/dbraw/zinc/49/63/68/392496368.db2.gz ZMQNUVRWEMRGAC-ZJUUUORDSA-N 2 2 267.304 1.903 20 5 CDBDLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000442786511 392496374 /nfs/dbraw/zinc/49/63/74/392496374.db2.gz ZMQNUVRWEMRGAC-ZJUUUORDSA-N 2 2 267.304 1.903 20 5 CDBDLP O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000261586034 140357003 /nfs/dbraw/zinc/35/70/03/140357003.db2.gz IQWNLAXWFIJELW-CHWSQXEVSA-N 2 2 261.325 1.636 20 5 CDBDLP O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000261586034 140357005 /nfs/dbraw/zinc/35/70/05/140357005.db2.gz IQWNLAXWFIJELW-CHWSQXEVSA-N 2 2 261.325 1.636 20 5 CDBDLP Cc1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000359472887 158257193 /nfs/dbraw/zinc/25/71/93/158257193.db2.gz MSHJJBPITCNMNI-CHWSQXEVSA-N 2 2 261.325 1.554 20 5 CDBDLP CC[NH2+]CC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423241165 276266639 /nfs/dbraw/zinc/26/66/39/276266639.db2.gz UQIIUWQKGQTMIC-NSHDSACASA-N 2 2 251.330 1.725 20 5 CDBDLP C[NH2+]C[C@H]1CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000430562283 277033185 /nfs/dbraw/zinc/03/31/85/277033185.db2.gz QFCXLIRSGVYCTO-CYBMUJFWSA-N 2 2 279.340 1.657 20 5 CDBDLP C[NH2+]C[C@H]1CCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000430562283 277033189 /nfs/dbraw/zinc/03/31/89/277033189.db2.gz QFCXLIRSGVYCTO-CYBMUJFWSA-N 2 2 279.340 1.657 20 5 CDBDLP O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000071978875 279209991 /nfs/dbraw/zinc/20/99/91/279209991.db2.gz HUOBTCUSUNLLHW-UHFFFAOYSA-N 2 2 265.313 1.269 20 5 CDBDLP O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[NH2+]CC2)cc1 ZINC000071978875 279209993 /nfs/dbraw/zinc/20/99/93/279209993.db2.gz HUOBTCUSUNLLHW-UHFFFAOYSA-N 2 2 265.313 1.269 20 5 CDBDLP C[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000068803089 525421411 /nfs/dbraw/zinc/42/14/11/525421411.db2.gz DMCHJNBQTLJVMV-WFASDCNBSA-N 2 2 292.383 1.491 20 5 CDBDLP C[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000068803089 525421416 /nfs/dbraw/zinc/42/14/16/525421416.db2.gz DMCHJNBQTLJVMV-WFASDCNBSA-N 2 2 292.383 1.491 20 5 CDBDLP Cc1[nH+]cn([C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1CC[NH3+] ZINC001168966595 1161996189 /nfs/dbraw/zinc/99/61/89/1161996189.db2.gz JPVGKXTUQQEERF-WDEREUQCSA-N 2 2 252.318 1.311 20 5 CDBDLP CC[N@H+](CCC[NH2+]CC[N+](=O)[O-])C1CCCCC1 ZINC001335443590 959805500 /nfs/dbraw/zinc/80/55/00/959805500.db2.gz GWWULMWBWJJEFV-UHFFFAOYSA-N 2 2 257.378 1.897 20 5 CDBDLP CC[N@@H+](CCC[NH2+]CC[N+](=O)[O-])C1CCCCC1 ZINC001335443590 959805512 /nfs/dbraw/zinc/80/55/12/959805512.db2.gz GWWULMWBWJJEFV-UHFFFAOYSA-N 2 2 257.378 1.897 20 5 CDBDLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000133945049 745724545 /nfs/dbraw/zinc/72/45/45/745724545.db2.gz IEJHBJQYUIBDQQ-AAEUAGOBSA-N 2 2 279.340 1.451 20 5 CDBDLP O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000923330998 747881418 /nfs/dbraw/zinc/88/14/18/747881418.db2.gz GJRYQRNBAMCWOL-LSDHHAIUSA-N 2 2 291.351 1.314 20 5 CDBDLP O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000923330998 747881419 /nfs/dbraw/zinc/88/14/19/747881419.db2.gz GJRYQRNBAMCWOL-LSDHHAIUSA-N 2 2 291.351 1.314 20 5 CDBDLP Cc1ncc([N+](=O)[O-])c(-n2c[nH+]cc2C2CC[NH2+]CC2)n1 ZINC001155057585 937629030 /nfs/dbraw/zinc/62/90/30/937629030.db2.gz KQPRPFPDDCIXEG-UHFFFAOYSA-N 2 2 288.311 1.346 20 5 CDBDLP [NH3+]C1CC[NH+](CCNc2cc(Cl)cc([N+](=O)[O-])n2)CC1 ZINC001161867467 938937148 /nfs/dbraw/zinc/93/71/48/938937148.db2.gz IAXGGKFKHMXVBV-UHFFFAOYSA-N 2 2 299.762 1.478 20 5 CDBDLP O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000591448635 342633026 /nfs/dbraw/zinc/63/30/26/342633026.db2.gz KUVFBTHDAIWWDJ-DZGCQCFKSA-N 2 2 275.352 1.821 20 5 CDBDLP O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000591448635 342633027 /nfs/dbraw/zinc/63/30/27/342633027.db2.gz KUVFBTHDAIWWDJ-DZGCQCFKSA-N 2 2 275.352 1.821 20 5 CDBDLP CC[N@H+](CC[NH3+])CCOc1ccc([N+](=O)[O-])cc1 ZINC000600718510 342244468 /nfs/dbraw/zinc/24/44/68/342244468.db2.gz XXGBIWNSLXLKKP-UHFFFAOYSA-N 2 2 253.302 1.254 20 5 CDBDLP CC[N@@H+](CC[NH3+])CCOc1ccc([N+](=O)[O-])cc1 ZINC000600718510 342244469 /nfs/dbraw/zinc/24/44/69/342244469.db2.gz XXGBIWNSLXLKKP-UHFFFAOYSA-N 2 2 253.302 1.254 20 5 CDBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000595019571 342995993 /nfs/dbraw/zinc/99/59/93/342995993.db2.gz RJUUKHFFNICSER-CMPLNLGQSA-N 2 2 297.355 1.177 20 5 CDBDLP O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000112839628 366159321 /nfs/dbraw/zinc/15/93/21/366159321.db2.gz IFQSMYHTDFJCBU-CABCVRRESA-N 2 2 291.351 1.548 20 5 CDBDLP O=[N+]([O-])c1cccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)c1 ZINC000051634360 358949302 /nfs/dbraw/zinc/94/93/02/358949302.db2.gz UXRAOCCISTXRMC-AWEZNQCLSA-N 2 2 279.340 1.141 20 5 CDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CC[NH3+] ZINC000420377057 244170318 /nfs/dbraw/zinc/17/03/18/244170318.db2.gz KNTBSXGHLFUEPE-UHFFFAOYSA-N 2 2 280.328 1.122 20 5 CDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CC[NH3+] ZINC000420377057 244170323 /nfs/dbraw/zinc/17/03/23/244170323.db2.gz KNTBSXGHLFUEPE-UHFFFAOYSA-N 2 2 280.328 1.122 20 5 CDBDLP [NH3+]C[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000420385301 244184842 /nfs/dbraw/zinc/18/48/42/244184842.db2.gz HJKAGLIOZYARKF-CQSZACIVSA-N 2 2 295.339 1.023 20 5 CDBDLP [NH3+]C[C@@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000420385301 244184847 /nfs/dbraw/zinc/18/48/47/244184847.db2.gz HJKAGLIOZYARKF-CQSZACIVSA-N 2 2 295.339 1.023 20 5 CDBDLP O=[N+]([O-])c1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414816974 370324081 /nfs/dbraw/zinc/32/40/81/370324081.db2.gz REPNEBYNXRFVAU-FUNVUKJBSA-N 2 2 261.325 1.967 20 5 CDBDLP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000351865647 370446719 /nfs/dbraw/zinc/44/67/19/370446719.db2.gz ODEPWRMEOUVQMW-ZJUUUORDSA-N 2 2 290.323 1.905 20 5 CDBDLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000351865647 370446723 /nfs/dbraw/zinc/44/67/23/370446723.db2.gz ODEPWRMEOUVQMW-ZJUUUORDSA-N 2 2 290.323 1.905 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000422711427 245168579 /nfs/dbraw/zinc/16/85/79/245168579.db2.gz GYIHPRGYJMHUIC-VXGBXAGGSA-N 2 2 265.313 1.573 20 5 CDBDLP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000423480670 374384848 /nfs/dbraw/zinc/38/48/48/374384848.db2.gz PMKACEYROOLHFQ-LSDHHAIUSA-N 2 2 292.383 1.539 20 5 CDBDLP COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000430197878 393090582 /nfs/dbraw/zinc/09/05/82/393090582.db2.gz WRAZBUOGYCNJJU-GFCCVEGCSA-N 2 2 293.367 1.987 20 5 CDBDLP COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000430197878 393090585 /nfs/dbraw/zinc/09/05/85/393090585.db2.gz WRAZBUOGYCNJJU-GFCCVEGCSA-N 2 2 293.367 1.987 20 5 CDBDLP [NH3+]C[C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000430666993 393104147 /nfs/dbraw/zinc/10/41/47/393104147.db2.gz OXSMBVFKOFKRFO-SNVBAGLBSA-N 2 2 290.323 1.907 20 5 CDBDLP [NH3+]C[C@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000430666993 393104159 /nfs/dbraw/zinc/10/41/59/393104159.db2.gz OXSMBVFKOFKRFO-SNVBAGLBSA-N 2 2 290.323 1.907 20 5 CDBDLP O=[N+]([O-])c1ccc(C[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000039170046 174165259 /nfs/dbraw/zinc/16/52/59/174165259.db2.gz VXIXMSAVAQKNSF-UHFFFAOYSA-N 2 2 260.297 1.971 20 5 CDBDLP C[NH+](C)CC1CC[NH+](Cn2nccc2[N+](=O)[O-])CC1 ZINC000738076174 574557872 /nfs/dbraw/zinc/55/78/72/574557872.db2.gz JPSIFYWBCXRWBS-UHFFFAOYSA-N 2 2 267.333 1.022 20 5 CDBDLP C[C@H]([NH3+])C[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000863568791 750396798 /nfs/dbraw/zinc/39/67/98/750396798.db2.gz MWZXQTKRIAFHFA-JTQLQIEISA-N 2 2 280.328 1.202 20 5 CDBDLP C[C@H]([NH3+])C[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000863568791 750396807 /nfs/dbraw/zinc/39/68/07/750396807.db2.gz MWZXQTKRIAFHFA-JTQLQIEISA-N 2 2 280.328 1.202 20 5 CDBDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cccnc3[N+](=O)[O-])CC[C@@H]21 ZINC000886044534 753653512 /nfs/dbraw/zinc/65/35/12/753653512.db2.gz ZFKJWNMVPJHFDG-OCCSQVGLSA-N 2 2 290.367 1.906 20 5 CDBDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccnc3[N+](=O)[O-])CC[C@@H]21 ZINC000886044534 753653522 /nfs/dbraw/zinc/65/35/22/753653522.db2.gz ZFKJWNMVPJHFDG-OCCSQVGLSA-N 2 2 290.367 1.906 20 5 CDBDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccnc3[N+](=O)[O-])CC[C@@H]21 ZINC000886044534 753653528 /nfs/dbraw/zinc/65/35/28/753653528.db2.gz ZFKJWNMVPJHFDG-OCCSQVGLSA-N 2 2 290.367 1.906 20 5 CDBDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccnc3[N+](=O)[O-])CC[C@@H]21 ZINC000886044534 753653536 /nfs/dbraw/zinc/65/35/36/753653536.db2.gz ZFKJWNMVPJHFDG-OCCSQVGLSA-N 2 2 290.367 1.906 20 5 CDBDLP C[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000154278149 188133453 /nfs/dbraw/zinc/13/34/53/188133453.db2.gz AMIKFJGVODYHHX-DOMZBBRYSA-N 2 2 293.367 1.512 20 5 CDBDLP C[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000154278149 188133454 /nfs/dbraw/zinc/13/34/54/188133454.db2.gz AMIKFJGVODYHHX-DOMZBBRYSA-N 2 2 293.367 1.512 20 5 CDBDLP C[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000414958360 371065249 /nfs/dbraw/zinc/06/52/49/371065249.db2.gz WPWJIIVUJKFVQG-WCBMZHEXSA-N 2 2 255.343 1.886 20 5 CDBDLP COc1ccc(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000414932444 371143914 /nfs/dbraw/zinc/14/39/14/371143914.db2.gz RCTLLKLNXZZWMO-JQWIXIFHSA-N 2 2 279.340 1.691 20 5 CDBDLP COc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000422949285 374364478 /nfs/dbraw/zinc/36/44/78/374364478.db2.gz UUNQORMQDXQFGP-CMPLNLGQSA-N 2 2 279.340 1.834 20 5 CDBDLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000442786509 392496217 /nfs/dbraw/zinc/49/62/17/392496217.db2.gz ZMQNUVRWEMRGAC-UWVGGRQHSA-N 2 2 267.304 1.903 20 5 CDBDLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000442786509 392496221 /nfs/dbraw/zinc/49/62/21/392496221.db2.gz ZMQNUVRWEMRGAC-UWVGGRQHSA-N 2 2 267.304 1.903 20 5 CDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H]([NH3+])C1 ZINC000430599398 393102624 /nfs/dbraw/zinc/10/26/24/393102624.db2.gz ASRUYVRURXFQIT-LLVKDONJSA-N 2 2 292.339 1.265 20 5 CDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H]([NH3+])C1 ZINC000430599398 393102629 /nfs/dbraw/zinc/10/26/29/393102629.db2.gz ASRUYVRURXFQIT-LLVKDONJSA-N 2 2 292.339 1.265 20 5 CDBDLP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3c(F)cccc3[N+](=O)[O-])C[C@@H]12 ZINC000351482127 393203643 /nfs/dbraw/zinc/20/36/43/393203643.db2.gz YYPPHNQHDWTACG-OPQQBVKSSA-N 2 2 279.315 1.903 20 5 CDBDLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])C[C@@H]12 ZINC000351482127 393203652 /nfs/dbraw/zinc/20/36/52/393203652.db2.gz YYPPHNQHDWTACG-OPQQBVKSSA-N 2 2 279.315 1.903 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000094341904 147083122 /nfs/dbraw/zinc/08/31/22/147083122.db2.gz DUGUGXXPLFHUOJ-MFKMUULPSA-N 2 2 279.340 1.773 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000094341904 147083124 /nfs/dbraw/zinc/08/31/24/147083124.db2.gz DUGUGXXPLFHUOJ-MFKMUULPSA-N 2 2 279.340 1.773 20 5 CDBDLP [NH3+][C@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000346064208 153040799 /nfs/dbraw/zinc/04/07/99/153040799.db2.gz KOOLZWOKTDPHNZ-NSHDSACASA-N 2 2 292.339 1.347 20 5 CDBDLP [NH3+][C@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000346064208 153040802 /nfs/dbraw/zinc/04/08/02/153040802.db2.gz KOOLZWOKTDPHNZ-NSHDSACASA-N 2 2 292.339 1.347 20 5 CDBDLP O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261653663 275039831 /nfs/dbraw/zinc/03/98/31/275039831.db2.gz YLDPBGRQZTYRNN-YPMHNXCESA-N 2 2 261.325 1.636 20 5 CDBDLP O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261653663 275039832 /nfs/dbraw/zinc/03/98/32/275039832.db2.gz YLDPBGRQZTYRNN-YPMHNXCESA-N 2 2 261.325 1.636 20 5 CDBDLP CC[N@H+](CCO)CC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000184540701 521117112 /nfs/dbraw/zinc/11/71/12/521117112.db2.gz GREZZCUGNCJLSL-FNORWQNLSA-N 2 2 293.367 1.512 20 5 CDBDLP CC[N@@H+](CCO)CC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000184540701 521117117 /nfs/dbraw/zinc/11/71/17/521117117.db2.gz GREZZCUGNCJLSL-FNORWQNLSA-N 2 2 293.367 1.512 20 5 CDBDLP O=[N+]([O-])c1ccccc1C[NH2+]CCCn1cc[nH+]c1 ZINC000020305972 527400398 /nfs/dbraw/zinc/40/03/98/527400398.db2.gz RRJAAHZOYRNRKU-UHFFFAOYSA-N 2 2 260.297 1.971 20 5 CDBDLP C[C@@]12C[NH2+]C[C@@H]1C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC001579473523 1172191823 /nfs/dbraw/zinc/19/18/23/1172191823.db2.gz CISUQKYQGRUXSU-SNPRPXQTSA-N 2 2 291.351 1.170 20 5 CDBDLP C[C@@]12C[NH2+]C[C@@H]1C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC001579473523 1172191827 /nfs/dbraw/zinc/19/18/27/1172191827.db2.gz CISUQKYQGRUXSU-SNPRPXQTSA-N 2 2 291.351 1.170 20 5 CDBDLP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@](C)(O)C[NH+](C)C ZINC000873094635 753882118 /nfs/dbraw/zinc/88/21/18/753882118.db2.gz LSLOJUNORNQZBR-OAHLLOKOSA-N 2 2 295.383 1.614 20 5 CDBDLP O=[N+]([O-])c1ncccc1C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000886839909 754874503 /nfs/dbraw/zinc/87/45/03/754874503.db2.gz ONAPYQGVSRXJCW-JSGCOSHPSA-N 2 2 290.367 1.954 20 5 CDBDLP O=[N+]([O-])c1ncccc1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000886839909 754874506 /nfs/dbraw/zinc/87/45/06/754874506.db2.gz ONAPYQGVSRXJCW-JSGCOSHPSA-N 2 2 290.367 1.954 20 5 CDBDLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818959076 754913144 /nfs/dbraw/zinc/91/31/44/754913144.db2.gz BYUQVKQEWIUAAN-SMDDNHRTSA-N 2 2 290.323 1.503 20 5 CDBDLP [NH3+][C@@H]1C[C@H]1[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172908865 912039258 /nfs/dbraw/zinc/03/92/58/912039258.db2.gz ATIMVXJUIFWRBC-MRVWCRGKSA-N 2 2 261.325 1.531 20 5 CDBDLP O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccc3[nH+]ccn3c2)C1 ZINC001169003583 927606044 /nfs/dbraw/zinc/60/60/44/927606044.db2.gz OKICIIVTBZAJPH-YPMHNXCESA-N 2 2 274.324 1.869 20 5 CDBDLP O=[N+]([O-])c1cc2c(cc1NCCCn1cc[nH+]c1)C[NH2+]C2 ZINC001161684729 938920430 /nfs/dbraw/zinc/92/04/30/938920430.db2.gz LJERUPBYEMVYLD-UHFFFAOYSA-N 2 2 287.323 1.897 20 5 CDBDLP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1C[NH2+]CC12CC2 ZINC001246135180 947978911 /nfs/dbraw/zinc/97/89/11/947978911.db2.gz SVKOQVCOXMIPFT-SMDDNHRTSA-N 2 2 275.352 1.867 20 5 CDBDLP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1C[NH2+]CC12CC2 ZINC001246135177 947979360 /nfs/dbraw/zinc/97/93/60/947979360.db2.gz SVKOQVCOXMIPFT-RISCZKNCSA-N 2 2 275.352 1.867 20 5 CDBDLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2CC[N+](=O)[O-])[nH+]1 ZINC001334615608 959240875 /nfs/dbraw/zinc/24/08/75/959240875.db2.gz QACRRIOMQCKHQT-LBPRGKRZSA-N 2 2 264.329 1.543 20 5 CDBDLP Cc1cccc(NC[C@@H]2CCC[N@H+]2CC[N+](=O)[O-])[nH+]1 ZINC001334615608 959240886 /nfs/dbraw/zinc/24/08/86/959240886.db2.gz QACRRIOMQCKHQT-LBPRGKRZSA-N 2 2 264.329 1.543 20 5 CDBDLP COc1ccc(C[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000600677279 342241854 /nfs/dbraw/zinc/24/18/54/342241854.db2.gz BXLHXUKTAYNEFV-CMPLNLGQSA-N 2 2 279.340 1.834 20 5 CDBDLP O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)n1 ZINC000267421275 360793062 /nfs/dbraw/zinc/79/30/62/360793062.db2.gz KMIRGKNGJXXIAS-LLVKDONJSA-N 2 2 290.327 1.394 20 5 CDBDLP O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)n1 ZINC000267421275 360793065 /nfs/dbraw/zinc/79/30/65/360793065.db2.gz KMIRGKNGJXXIAS-LLVKDONJSA-N 2 2 290.327 1.394 20 5 CDBDLP O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)c(F)c1 ZINC000414828198 241406579 /nfs/dbraw/zinc/40/65/79/241406579.db2.gz LOHAYNIKANXGKM-SNVBAGLBSA-N 2 2 267.304 1.823 20 5 CDBDLP COc1ccc(C[NH2+][C@H]2CCC[NH2+][C@H]2C)cc1[N+](=O)[O-] ZINC000414956952 241483304 /nfs/dbraw/zinc/48/33/04/241483304.db2.gz QKNNLXLMYSFBAM-JQWIXIFHSA-N 2 2 279.340 1.834 20 5 CDBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@H](O)C[NH3+] ZINC000420350670 244123797 /nfs/dbraw/zinc/12/37/97/244123797.db2.gz HPHHEOGAQPOETP-CYBMUJFWSA-N 2 2 297.355 1.133 20 5 CDBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420350670 244123802 /nfs/dbraw/zinc/12/38/02/244123802.db2.gz HPHHEOGAQPOETP-CYBMUJFWSA-N 2 2 297.355 1.133 20 5 CDBDLP Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000376645479 374566298 /nfs/dbraw/zinc/56/62/98/374566298.db2.gz UNQVEXJUMDGHLK-VXGBXAGGSA-N 2 2 293.371 1.244 20 5 CDBDLP Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000376645479 374566303 /nfs/dbraw/zinc/56/63/03/374566303.db2.gz UNQVEXJUMDGHLK-VXGBXAGGSA-N 2 2 293.371 1.244 20 5 CDBDLP Cn1cnc([N+](=O)[O-])c1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000376645479 374566308 /nfs/dbraw/zinc/56/63/08/374566308.db2.gz UNQVEXJUMDGHLK-VXGBXAGGSA-N 2 2 293.371 1.244 20 5 CDBDLP Cn1cnc([N+](=O)[O-])c1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000376645479 374566312 /nfs/dbraw/zinc/56/63/12/374566312.db2.gz UNQVEXJUMDGHLK-VXGBXAGGSA-N 2 2 293.371 1.244 20 5 CDBDLP O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428040999 247234896 /nfs/dbraw/zinc/23/48/96/247234896.db2.gz YWUVKZQLHLUMKR-CHWSQXEVSA-N 2 2 291.351 1.657 20 5 CDBDLP O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428040999 247234900 /nfs/dbraw/zinc/23/49/00/247234900.db2.gz YWUVKZQLHLUMKR-CHWSQXEVSA-N 2 2 291.351 1.657 20 5 CDBDLP C[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000193652627 391921713 /nfs/dbraw/zinc/92/17/13/391921713.db2.gz KUEPLABMVORLMR-BETUJISGSA-N 2 2 261.325 1.588 20 5 CDBDLP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000193652627 391921718 /nfs/dbraw/zinc/92/17/18/391921718.db2.gz KUEPLABMVORLMR-BETUJISGSA-N 2 2 261.325 1.588 20 5 CDBDLP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000193652627 391921722 /nfs/dbraw/zinc/92/17/22/391921722.db2.gz KUEPLABMVORLMR-BETUJISGSA-N 2 2 261.325 1.588 20 5 CDBDLP C[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000193652627 391921729 /nfs/dbraw/zinc/92/17/29/391921729.db2.gz KUEPLABMVORLMR-BETUJISGSA-N 2 2 261.325 1.588 20 5 CDBDLP COCC[NH2+]CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423331610 392962952 /nfs/dbraw/zinc/96/29/52/392962952.db2.gz MRDWZKJHJYWCOS-OAHLLOKOSA-N 2 2 293.367 1.798 20 5 CDBDLP [NH3+]C[C@@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000430600200 393102212 /nfs/dbraw/zinc/10/22/12/393102212.db2.gz ATXHZFPUTCKWFY-JTQLQIEISA-N 2 2 267.304 1.905 20 5 CDBDLP [NH3+]C[C@@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000430600200 393102215 /nfs/dbraw/zinc/10/22/15/393102215.db2.gz ATXHZFPUTCKWFY-JTQLQIEISA-N 2 2 267.304 1.905 20 5 CDBDLP C[N@H+](CCC[NH2+]CC[N+](=O)[O-])Cc1ccccc1 ZINC000905025480 626389857 /nfs/dbraw/zinc/38/98/57/626389857.db2.gz KYQKTLDDTPUIRV-UHFFFAOYSA-N 2 2 251.330 1.375 20 5 CDBDLP C[N@@H+](CCC[NH2+]CC[N+](=O)[O-])Cc1ccccc1 ZINC000905025480 626389858 /nfs/dbraw/zinc/38/98/58/626389858.db2.gz KYQKTLDDTPUIRV-UHFFFAOYSA-N 2 2 251.330 1.375 20 5 CDBDLP C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000932178926 770054329 /nfs/dbraw/zinc/05/43/29/770054329.db2.gz UNCXPERCFIYRMI-IAQYHMDHSA-N 2 2 293.367 1.701 20 5 CDBDLP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000932178926 770054353 /nfs/dbraw/zinc/05/43/53/770054353.db2.gz UNCXPERCFIYRMI-IAQYHMDHSA-N 2 2 293.367 1.701 20 5 CDBDLP O=[N+]([O-])c1ccn(CC[N@@H+]2CC[NH2+]CCC23CCC3)n1 ZINC000883458639 771117272 /nfs/dbraw/zinc/11/72/72/771117272.db2.gz RIFNQRUQPBXEMR-UHFFFAOYSA-N 2 2 279.344 1.009 20 5 CDBDLP O=[N+]([O-])c1ccn(CC[N@H+]2CC[NH2+]CCC23CCC3)n1 ZINC000883458639 771117279 /nfs/dbraw/zinc/11/72/79/771117279.db2.gz RIFNQRUQPBXEMR-UHFFFAOYSA-N 2 2 279.344 1.009 20 5 CDBDLP O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CC[C@@H]3[NH2+]CC[C@H]31)C2 ZINC001246628787 948364301 /nfs/dbraw/zinc/36/43/01/948364301.db2.gz CEEZSYIWCAEWGR-SOUVJXGZSA-N 2 2 273.336 1.498 20 5 CDBDLP O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CC[C@@H]3[NH2+]CC[C@H]31)C2 ZINC001246628787 948364309 /nfs/dbraw/zinc/36/43/09/948364309.db2.gz CEEZSYIWCAEWGR-SOUVJXGZSA-N 2 2 273.336 1.498 20 5 CDBDLP O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CC[NH2+]C2CC2)n1 ZINC000591577290 342637743 /nfs/dbraw/zinc/63/77/43/342637743.db2.gz MKGMCSOIGLNNSI-STQMWFEESA-N 2 2 293.371 1.617 20 5 CDBDLP CCOc1ccc([C@H](C)[NH2+]C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000591581426 342637952 /nfs/dbraw/zinc/63/79/52/342637952.db2.gz VUESKBANDWHXFW-ZJUUUORDSA-N 2 2 267.329 1.991 20 5 CDBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC(C)(C)[NH3+] ZINC000414810537 241399807 /nfs/dbraw/zinc/39/98/07/241399807.db2.gz XLTVMAMSUXPYAH-UHFFFAOYSA-N 2 2 267.329 1.820 20 5 CDBDLP [NH3+]C[C@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000420385299 244185264 /nfs/dbraw/zinc/18/52/64/244185264.db2.gz HJKAGLIOZYARKF-AWEZNQCLSA-N 2 2 295.339 1.023 20 5 CDBDLP [NH3+]C[C@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000420385299 244185270 /nfs/dbraw/zinc/18/52/70/244185270.db2.gz HJKAGLIOZYARKF-AWEZNQCLSA-N 2 2 295.339 1.023 20 5 CDBDLP Cc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000357109251 375887554 /nfs/dbraw/zinc/88/75/54/375887554.db2.gz XDEVWKVCPPZJQS-UONOGXRCSA-N 2 2 275.352 1.945 20 5 CDBDLP Cc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000357109251 375887558 /nfs/dbraw/zinc/88/75/58/375887558.db2.gz XDEVWKVCPPZJQS-UONOGXRCSA-N 2 2 275.352 1.945 20 5 CDBDLP C[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H](C[NH3+])C1CC1 ZINC000359984738 390221583 /nfs/dbraw/zinc/22/15/83/390221583.db2.gz MMUWHWFFZMAMBK-ZDUSSCGKSA-N 2 2 279.340 1.643 20 5 CDBDLP C[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H](C[NH3+])C1CC1 ZINC000359984738 390221586 /nfs/dbraw/zinc/22/15/86/390221586.db2.gz MMUWHWFFZMAMBK-ZDUSSCGKSA-N 2 2 279.340 1.643 20 5 CDBDLP O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000261663036 140372554 /nfs/dbraw/zinc/37/25/54/140372554.db2.gz ZIODTONVABTXJE-TZMCWYRMSA-N 2 2 261.325 1.779 20 5 CDBDLP O=[N+]([O-])c1cccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000261663036 140372555 /nfs/dbraw/zinc/37/25/55/140372555.db2.gz ZIODTONVABTXJE-TZMCWYRMSA-N 2 2 261.325 1.779 20 5 CDBDLP C[C@@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000430969168 274353019 /nfs/dbraw/zinc/35/30/19/274353019.db2.gz CCTUFABGCGVHPI-SKDRFNHKSA-N 2 2 267.304 1.903 20 5 CDBDLP C[C@@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000430969168 274353020 /nfs/dbraw/zinc/35/30/20/274353020.db2.gz CCTUFABGCGVHPI-SKDRFNHKSA-N 2 2 267.304 1.903 20 5 CDBDLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000579021865 324086024 /nfs/dbraw/zinc/08/60/24/324086024.db2.gz IVORNVCJTAWZQA-OAHLLOKOSA-N 2 2 295.383 1.382 20 5 CDBDLP CC[N@H+](C)C[C@@H](O)C[NH+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000579021865 324086021 /nfs/dbraw/zinc/08/60/21/324086021.db2.gz IVORNVCJTAWZQA-OAHLLOKOSA-N 2 2 295.383 1.382 20 5 CDBDLP CC[NH+](C)C[C@@H](O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000579021865 324086027 /nfs/dbraw/zinc/08/60/27/324086027.db2.gz IVORNVCJTAWZQA-OAHLLOKOSA-N 2 2 295.383 1.382 20 5 CDBDLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000579021865 324086029 /nfs/dbraw/zinc/08/60/29/324086029.db2.gz IVORNVCJTAWZQA-OAHLLOKOSA-N 2 2 295.383 1.382 20 5 CDBDLP O=[N+]([O-])c1ccccc1C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000050015761 527401124 /nfs/dbraw/zinc/40/11/24/527401124.db2.gz KSPLQOZBCUPTII-ZDUSSCGKSA-N 2 2 279.340 1.141 20 5 CDBDLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCn1ccc([N+](=O)[O-])n1 ZINC000843360759 779419900 /nfs/dbraw/zinc/41/99/00/779419900.db2.gz IGXSBMATKJQFAW-YOGCLGLASA-N 2 2 279.344 1.136 20 5 CDBDLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCn1ccc([N+](=O)[O-])n1 ZINC000843360759 779419908 /nfs/dbraw/zinc/41/99/08/779419908.db2.gz IGXSBMATKJQFAW-YOGCLGLASA-N 2 2 279.344 1.136 20 5 CDBDLP C[C@H]([NH3+])C[N@H+](C)[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001246979878 948558030 /nfs/dbraw/zinc/55/80/30/948558030.db2.gz FIZGMPGWKPNREH-QWRGUYRKSA-N 2 2 251.330 1.805 20 5 CDBDLP C[C@H]([NH3+])C[N@@H+](C)[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001246979878 948558038 /nfs/dbraw/zinc/55/80/38/948558038.db2.gz FIZGMPGWKPNREH-QWRGUYRKSA-N 2 2 251.330 1.805 20 5 CDBDLP Cc1cc(NC[C@@H](C)[NH3+])nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000591436615 342631748 /nfs/dbraw/zinc/63/17/48/342631748.db2.gz GDEXSZYWSYRDJN-SECBINFHSA-N 2 2 287.323 1.541 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261868842 357337016 /nfs/dbraw/zinc/33/70/16/357337016.db2.gz YRPVCZTXCKSPDF-AWEZNQCLSA-N 2 2 279.340 1.774 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261868842 357337021 /nfs/dbraw/zinc/33/70/21/357337021.db2.gz YRPVCZTXCKSPDF-AWEZNQCLSA-N 2 2 279.340 1.774 20 5 CDBDLP C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000582181855 364078720 /nfs/dbraw/zinc/07/87/20/364078720.db2.gz VZEWAMLZIFLAHK-NSHDSACASA-N 2 2 292.339 1.217 20 5 CDBDLP C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000582181855 364078730 /nfs/dbraw/zinc/07/87/30/364078730.db2.gz VZEWAMLZIFLAHK-NSHDSACASA-N 2 2 292.339 1.217 20 5 CDBDLP C[NH+]1CCC(CCO)([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000330911767 203381632 /nfs/dbraw/zinc/38/16/32/203381632.db2.gz HNTNELVJUDJLJH-UHFFFAOYSA-N 2 2 299.396 1.593 20 5 CDBDLP CC(C)c1ccc(C[NH2+]C[C@@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000415097162 391257088 /nfs/dbraw/zinc/25/70/88/391257088.db2.gz RVTXEKFNCZGDPA-ZDUSSCGKSA-N 2 2 293.367 1.796 20 5 CDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H](C)C[NH3+] ZINC000430969450 393108061 /nfs/dbraw/zinc/10/80/61/393108061.db2.gz CYVQLLYISXFTSW-NSHDSACASA-N 2 2 294.355 1.511 20 5 CDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@H](C)C[NH3+] ZINC000430969450 393108063 /nfs/dbraw/zinc/10/80/63/393108063.db2.gz CYVQLLYISXFTSW-NSHDSACASA-N 2 2 294.355 1.511 20 5 CDBDLP C[C@@]1(C[NH3+])CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000261589755 140358201 /nfs/dbraw/zinc/35/82/01/140358201.db2.gz KXFNXLFCFWWYRP-ZDUSSCGKSA-N 2 2 267.304 1.905 20 5 CDBDLP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000261589755 140358202 /nfs/dbraw/zinc/35/82/02/140358202.db2.gz KXFNXLFCFWWYRP-ZDUSSCGKSA-N 2 2 267.304 1.905 20 5 CDBDLP CO[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000226422697 523685176 /nfs/dbraw/zinc/68/51/76/523685176.db2.gz UONCZRHLZRJWNR-HUUCEWRRSA-N 2 2 293.367 1.575 20 5 CDBDLP CO[C@@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000226422697 523685184 /nfs/dbraw/zinc/68/51/84/523685184.db2.gz UONCZRHLZRJWNR-HUUCEWRRSA-N 2 2 293.367 1.575 20 5 CDBDLP O=[N+]([O-])c1ccnn1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000738158655 576045258 /nfs/dbraw/zinc/04/52/58/576045258.db2.gz OOLSYFRMDUFKPT-LLVKDONJSA-N 2 2 276.300 1.282 20 5 CDBDLP O=[N+]([O-])c1ccnn1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000738158655 576045260 /nfs/dbraw/zinc/04/52/60/576045260.db2.gz OOLSYFRMDUFKPT-LLVKDONJSA-N 2 2 276.300 1.282 20 5 CDBDLP CCCC[N@H+](C)CC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168968456 927591529 /nfs/dbraw/zinc/59/15/29/927591529.db2.gz ZFOZCPISLYGHMI-STQMWFEESA-N 2 2 257.378 1.753 20 5 CDBDLP CCCC[N@@H+](C)CC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168968456 927591537 /nfs/dbraw/zinc/59/15/37/927591537.db2.gz ZFOZCPISLYGHMI-STQMWFEESA-N 2 2 257.378 1.753 20 5 CDBDLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@H]21 ZINC001169050041 927669572 /nfs/dbraw/zinc/66/95/72/927669572.db2.gz YJYAOKYRLOILGR-AAVRWANBSA-N 2 2 267.373 1.458 20 5 CDBDLP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@H]21 ZINC001169050041 927669576 /nfs/dbraw/zinc/66/95/76/927669576.db2.gz YJYAOKYRLOILGR-AAVRWANBSA-N 2 2 267.373 1.458 20 5 CDBDLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@H]21 ZINC001169050041 927669583 /nfs/dbraw/zinc/66/95/83/927669583.db2.gz YJYAOKYRLOILGR-AAVRWANBSA-N 2 2 267.373 1.458 20 5 CDBDLP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@H]21 ZINC001169050041 927669589 /nfs/dbraw/zinc/66/95/89/927669589.db2.gz YJYAOKYRLOILGR-AAVRWANBSA-N 2 2 267.373 1.458 20 5 CDBDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000565432182 365645897 /nfs/dbraw/zinc/64/58/97/365645897.db2.gz YRERKHFQWLQPPV-SNVBAGLBSA-N 2 2 290.327 1.051 20 5 CDBDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000565432182 365645904 /nfs/dbraw/zinc/64/59/04/365645904.db2.gz YRERKHFQWLQPPV-SNVBAGLBSA-N 2 2 290.327 1.051 20 5 CDBDLP O=[N+]([O-])c1cc2c(cc1C[NH2+]C1CC[NH2+]CC1)OCCO2 ZINC000591275081 342623895 /nfs/dbraw/zinc/62/38/95/342623895.db2.gz RBOQXZDPOQSHTR-UHFFFAOYSA-N 2 2 293.323 1.208 20 5 CDBDLP Cc1c(NC(=O)[C@@H](C)[N@H+](C)CCC[NH3+])cccc1[N+](=O)[O-] ZINC000592473625 342698502 /nfs/dbraw/zinc/69/85/02/342698502.db2.gz JCBQJANZDQZVKK-LLVKDONJSA-N 2 2 294.355 1.511 20 5 CDBDLP Cc1c(NC(=O)[C@@H](C)[N@@H+](C)CCC[NH3+])cccc1[N+](=O)[O-] ZINC000592473625 342698503 /nfs/dbraw/zinc/69/85/03/342698503.db2.gz JCBQJANZDQZVKK-LLVKDONJSA-N 2 2 294.355 1.511 20 5 CDBDLP O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000610447626 346284230 /nfs/dbraw/zinc/28/42/30/346284230.db2.gz CNLWMIJLMVFXOO-LBPRGKRZSA-N 2 2 290.327 1.325 20 5 CDBDLP O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000610447626 346284231 /nfs/dbraw/zinc/28/42/31/346284231.db2.gz CNLWMIJLMVFXOO-LBPRGKRZSA-N 2 2 290.327 1.325 20 5 CDBDLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000420374431 244168180 /nfs/dbraw/zinc/16/81/80/244168180.db2.gz RZGUHYHJYNDOOJ-TYNCELHUSA-N 2 2 293.367 1.950 20 5 CDBDLP Cc1ccc([C@H](C)[NH2+]C[C@H]2C[NH2+]CCCO2)cc1[N+](=O)[O-] ZINC000423511226 374388884 /nfs/dbraw/zinc/38/88/84/374388884.db2.gz KDHPCUKDRRLSHG-GXTWGEPZSA-N 2 2 293.367 1.932 20 5 CDBDLP Cc1c(NC(=O)CC[N@@H+]2CC[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000430653287 393104902 /nfs/dbraw/zinc/10/49/02/393104902.db2.gz YQCNQGUMTYUYAQ-NSHDSACASA-N 2 2 292.339 1.265 20 5 CDBDLP Cc1c(NC(=O)CC[N@H+]2CC[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000430653287 393104907 /nfs/dbraw/zinc/10/49/07/393104907.db2.gz YQCNQGUMTYUYAQ-NSHDSACASA-N 2 2 292.339 1.265 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000050247366 895577638 /nfs/dbraw/zinc/57/76/38/895577638.db2.gz BKIFLFSTWCMCIS-JTQLQIEISA-N 2 2 265.313 1.384 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000050247366 895577651 /nfs/dbraw/zinc/57/76/51/895577651.db2.gz BKIFLFSTWCMCIS-JTQLQIEISA-N 2 2 265.313 1.384 20 5 CDBDLP Cc1[nH+]ccn1CCC[N@@H+](C)Cn1nccc1[N+](=O)[O-] ZINC000162797993 900241423 /nfs/dbraw/zinc/24/14/23/900241423.db2.gz RCBNAIWKTVQXIE-UHFFFAOYSA-N 2 2 278.316 1.276 20 5 CDBDLP Cc1[nH+]ccn1CCC[N@H+](C)Cn1nccc1[N+](=O)[O-] ZINC000162797993 900241433 /nfs/dbraw/zinc/24/14/33/900241433.db2.gz RCBNAIWKTVQXIE-UHFFFAOYSA-N 2 2 278.316 1.276 20 5 CDBDLP O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC001168996579 927603258 /nfs/dbraw/zinc/60/32/58/927603258.db2.gz WHYYEUHEHSRWQM-MJBXVCDLSA-N 2 2 267.373 1.506 20 5 CDBDLP O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC001168996579 927603266 /nfs/dbraw/zinc/60/32/66/927603266.db2.gz WHYYEUHEHSRWQM-MJBXVCDLSA-N 2 2 267.373 1.506 20 5 CDBDLP O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCOc2cc[nH+]cc2)C1 ZINC001169004594 927609056 /nfs/dbraw/zinc/60/90/56/927609056.db2.gz RFSJIMLZOHPONH-VXGBXAGGSA-N 2 2 265.313 1.495 20 5 CDBDLP CC[N@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CC[NH+](C)CC1 ZINC001169029095 927634697 /nfs/dbraw/zinc/63/46/97/927634697.db2.gz UGTUMJIHCIWKSY-OCCSQVGLSA-N 2 2 269.389 1.848 20 5 CDBDLP CC[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CC[NH+](C)CC1 ZINC001169029095 927634708 /nfs/dbraw/zinc/63/47/08/927634708.db2.gz UGTUMJIHCIWKSY-OCCSQVGLSA-N 2 2 269.389 1.848 20 5 CDBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[NH2+]CC12CC2 ZINC001246132135 947978309 /nfs/dbraw/zinc/97/83/09/947978309.db2.gz LCTKVBPICAKUIG-FZMZJTMJSA-N 2 2 275.352 1.867 20 5 CDBDLP O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)C2 ZINC001246345402 948120887 /nfs/dbraw/zinc/12/08/87/948120887.db2.gz ANGJIZLUZGFDLS-CHWSQXEVSA-N 2 2 261.325 1.404 20 5 CDBDLP COc1ccc(C[NH+]2CCC(C)([NH3+])CC2)cc1[N+](=O)[O-] ZINC000592431557 342691653 /nfs/dbraw/zinc/69/16/53/342691653.db2.gz HQDJMMFLYFOSBZ-UHFFFAOYSA-N 2 2 279.340 1.917 20 5 CDBDLP Cc1c([C@@H](C)[NH2+]C[C@H](O)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000154310163 360337816 /nfs/dbraw/zinc/33/78/16/360337816.db2.gz YZIPYLNCVBQTDV-NEPJUHHUSA-N 2 2 281.356 1.476 20 5 CDBDLP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000330880543 203347402 /nfs/dbraw/zinc/34/74/02/203347402.db2.gz NCKRDGUDIFNKJJ-SMDDNHRTSA-N 2 2 279.340 1.312 20 5 CDBDLP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000330880543 203347405 /nfs/dbraw/zinc/34/74/05/203347405.db2.gz NCKRDGUDIFNKJJ-SMDDNHRTSA-N 2 2 279.340 1.312 20 5 CDBDLP CN1CC[NH2+]C[C@H]1C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000414971842 371128860 /nfs/dbraw/zinc/12/88/60/371128860.db2.gz WXDVRRHDOKNZFC-KXQLTZBTSA-N 2 2 290.367 1.101 20 5 CDBDLP Cc1ccc([C@H](C)[NH2+]C[C@H](O)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000305162820 375563009 /nfs/dbraw/zinc/56/30/09/375563009.db2.gz XLIPCNMVONFRTM-AAEUAGOBSA-N 2 2 281.356 1.476 20 5 CDBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313344048 390646605 /nfs/dbraw/zinc/64/66/05/390646605.db2.gz DSKYVRJEMCFFFW-NEPJUHHUSA-N 2 2 279.340 1.705 20 5 CDBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313344048 390646608 /nfs/dbraw/zinc/64/66/08/390646608.db2.gz DSKYVRJEMCFFFW-NEPJUHHUSA-N 2 2 279.340 1.705 20 5 CDBDLP O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261588721 140357659 /nfs/dbraw/zinc/35/76/59/140357659.db2.gz KHTZYKKTBMVUDZ-YPMHNXCESA-N 2 2 261.325 1.779 20 5 CDBDLP O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261588721 140357660 /nfs/dbraw/zinc/35/76/60/140357660.db2.gz KHTZYKKTBMVUDZ-YPMHNXCESA-N 2 2 261.325 1.779 20 5 CDBDLP [NH3+]C[C@H]1CCCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000044559188 175204320 /nfs/dbraw/zinc/20/43/20/175204320.db2.gz IPANBCNFLYQPRE-CQSZACIVSA-N 2 2 263.341 1.951 20 5 CDBDLP [NH3+]C[C@H]1CCCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000044559188 175204322 /nfs/dbraw/zinc/20/43/22/175204322.db2.gz IPANBCNFLYQPRE-CQSZACIVSA-N 2 2 263.341 1.951 20 5 CDBDLP [NH3+]C[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000313342585 260285606 /nfs/dbraw/zinc/28/56/06/260285606.db2.gz GQGFWRHAGTUCGO-CYBMUJFWSA-N 2 2 265.313 1.144 20 5 CDBDLP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000313342585 260285608 /nfs/dbraw/zinc/28/56/08/260285608.db2.gz GQGFWRHAGTUCGO-CYBMUJFWSA-N 2 2 265.313 1.144 20 5 CDBDLP C[NH2+][C@H](C)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423393349 277298945 /nfs/dbraw/zinc/29/89/45/277298945.db2.gz PCBWSEICUVDGHB-GHMZBOCLSA-N 2 2 251.330 1.723 20 5 CDBDLP COc1ccc(C[NH+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000923519891 783981465 /nfs/dbraw/zinc/98/14/65/783981465.db2.gz UTGFKHHXAHEKKF-QWHCGFSZSA-N 2 2 291.351 1.645 20 5 CDBDLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000925596660 787871650 /nfs/dbraw/zinc/87/16/50/787871650.db2.gz KSPGGWLGQNESFH-RISCZKNCSA-N 2 2 279.340 1.704 20 5 CDBDLP O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000923359546 789042821 /nfs/dbraw/zinc/04/28/21/789042821.db2.gz RKDDHSVJYXQORJ-NWANDNLSSA-N 2 2 291.351 1.312 20 5 CDBDLP O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000923359546 789042833 /nfs/dbraw/zinc/04/28/33/789042833.db2.gz RKDDHSVJYXQORJ-NWANDNLSSA-N 2 2 291.351 1.312 20 5 CDBDLP CCCC[N@H+](C)CC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168968455 927591820 /nfs/dbraw/zinc/59/18/20/927591820.db2.gz ZFOZCPISLYGHMI-QWHCGFSZSA-N 2 2 257.378 1.753 20 5 CDBDLP CCCC[N@@H+](C)CC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168968455 927591829 /nfs/dbraw/zinc/59/18/29/927591829.db2.gz ZFOZCPISLYGHMI-QWHCGFSZSA-N 2 2 257.378 1.753 20 5 CDBDLP O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@@H+](C3CCC3)C2)C1 ZINC001168995245 927602860 /nfs/dbraw/zinc/60/28/60/927602860.db2.gz SASKYKISOBRFFH-UPJWGTAASA-N 2 2 267.373 1.648 20 5 CDBDLP O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@H+](C3CCC3)C2)C1 ZINC001168995245 927602865 /nfs/dbraw/zinc/60/28/65/927602865.db2.gz SASKYKISOBRFFH-UPJWGTAASA-N 2 2 267.373 1.648 20 5 CDBDLP Cc1[nH+]cc2n1CC[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169010239 927614778 /nfs/dbraw/zinc/61/47/78/927614778.db2.gz BRMAYLZVDWKPBD-NWDGAFQWSA-N 2 2 264.329 1.453 20 5 CDBDLP Cc1[nH+]cc2n1CC[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169010239 927614782 /nfs/dbraw/zinc/61/47/82/927614782.db2.gz BRMAYLZVDWKPBD-NWDGAFQWSA-N 2 2 264.329 1.453 20 5 CDBDLP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@](C)([NH3+])C1 ZINC001246532611 931624460 /nfs/dbraw/zinc/62/44/60/931624460.db2.gz XCGTVIZSQZBENR-RISCZKNCSA-N 2 2 263.341 1.949 20 5 CDBDLP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@](C)([NH3+])C1 ZINC001246532611 931624463 /nfs/dbraw/zinc/62/44/63/931624463.db2.gz XCGTVIZSQZBENR-RISCZKNCSA-N 2 2 263.341 1.949 20 5 CDBDLP Cc1cnc(N[C@@]2(C[NH3+])C[NH+]3CCC2CC3)c([N+](=O)[O-])c1 ZINC001160507804 938791746 /nfs/dbraw/zinc/79/17/46/938791746.db2.gz BBYVTJLEEXNKKY-AWEZNQCLSA-N 2 2 291.355 1.133 20 5 CDBDLP C[C@H](C[NH+](C)C)[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254573006 947530710 /nfs/dbraw/zinc/53/07/10/947530710.db2.gz VFMKPIHXRLOTND-MFKMUULPSA-N 2 2 263.341 1.602 20 5 CDBDLP Cc1[nH+]cn([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1CC[NH3+] ZINC001254584333 947540477 /nfs/dbraw/zinc/54/04/77/947540477.db2.gz ROUVAXMEAZPDGQ-AWEZNQCLSA-N 2 2 286.335 1.941 20 5 CDBDLP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC(C)(C[NH3+])C1 ZINC001246588168 948322301 /nfs/dbraw/zinc/32/23/01/948322301.db2.gz KMBQGSJKLLJPDA-LLVKDONJSA-N 2 2 263.341 1.806 20 5 CDBDLP CCCn1cc[nH+]c1CCC[N@@H+](C)CC[N+](=O)[O-] ZINC001332989892 958000440 /nfs/dbraw/zinc/00/04/40/958000440.db2.gz DJJHSYYWTIUEQX-UHFFFAOYSA-N 2 2 254.334 1.434 20 5 CDBDLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001335338481 959724595 /nfs/dbraw/zinc/72/45/95/959724595.db2.gz SSVGQGKHSQEOHD-CABCVRRESA-N 2 2 293.367 1.702 20 5 CDBDLP CC[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001335338481 959724607 /nfs/dbraw/zinc/72/46/07/959724607.db2.gz SSVGQGKHSQEOHD-CABCVRRESA-N 2 2 293.367 1.702 20 5 CDBDLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000601330037 342554718 /nfs/dbraw/zinc/55/47/18/342554718.db2.gz PHCPGRNLKCMZBK-GHMZBOCLSA-N 2 2 265.313 1.395 20 5 CDBDLP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000601330037 342554719 /nfs/dbraw/zinc/55/47/19/342554719.db2.gz PHCPGRNLKCMZBK-GHMZBOCLSA-N 2 2 265.313 1.395 20 5 CDBDLP C[C@H]1C[C@H]([NH3+])C[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000601330039 342554770 /nfs/dbraw/zinc/55/47/70/342554770.db2.gz PHCPGRNLKCMZBK-QWRGUYRKSA-N 2 2 265.313 1.395 20 5 CDBDLP C[C@H]1C[C@H]([NH3+])C[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000601330039 342554771 /nfs/dbraw/zinc/55/47/71/342554771.db2.gz PHCPGRNLKCMZBK-QWRGUYRKSA-N 2 2 265.313 1.395 20 5 CDBDLP CCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000591581413 342638017 /nfs/dbraw/zinc/63/80/17/342638017.db2.gz VUESKBANDWHXFW-NXEZZACHSA-N 2 2 267.329 1.991 20 5 CDBDLP Cc1noc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000595344349 343043750 /nfs/dbraw/zinc/04/37/50/343043750.db2.gz CKASDRBKUICNJG-NEPJUHHUSA-N 2 2 294.355 1.807 20 5 CDBDLP Cc1noc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000595344349 343043751 /nfs/dbraw/zinc/04/37/51/343043751.db2.gz CKASDRBKUICNJG-NEPJUHHUSA-N 2 2 294.355 1.807 20 5 CDBDLP Cc1noc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1[N+](=O)[O-] ZINC000595344349 343043752 /nfs/dbraw/zinc/04/37/52/343043752.db2.gz CKASDRBKUICNJG-NEPJUHHUSA-N 2 2 294.355 1.807 20 5 CDBDLP Cc1noc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1[N+](=O)[O-] ZINC000595344349 343043754 /nfs/dbraw/zinc/04/37/54/343043754.db2.gz CKASDRBKUICNJG-NEPJUHHUSA-N 2 2 294.355 1.807 20 5 CDBDLP CC[N@H+](C)C[C@H](O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000580842059 363949418 /nfs/dbraw/zinc/94/94/18/363949418.db2.gz VAPCSJVWXAEGFE-GFCCVEGCSA-N 2 2 295.383 1.732 20 5 CDBDLP CC[N@@H+](C)C[C@H](O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000580842059 363949424 /nfs/dbraw/zinc/94/94/24/363949424.db2.gz VAPCSJVWXAEGFE-GFCCVEGCSA-N 2 2 295.383 1.732 20 5 CDBDLP COc1ccc(C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)cc1[N+](=O)[O-] ZINC000414956956 371169893 /nfs/dbraw/zinc/16/98/93/371169893.db2.gz QKNNLXLMYSFBAM-ZYHUDNBSSA-N 2 2 279.340 1.834 20 5 CDBDLP C[NH2+]CCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000124916927 374871553 /nfs/dbraw/zinc/87/15/53/374871553.db2.gz YWIZPEGBOWDMFU-UHFFFAOYSA-N 2 2 251.330 1.945 20 5 CDBDLP C[NH2+]CCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000124916927 374871556 /nfs/dbraw/zinc/87/15/56/374871556.db2.gz YWIZPEGBOWDMFU-UHFFFAOYSA-N 2 2 251.330 1.945 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000131654795 375305828 /nfs/dbraw/zinc/30/58/28/375305828.db2.gz NHQXYUCBJCTJLI-MNOVXSKESA-N 2 2 279.340 1.773 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000131654795 375305838 /nfs/dbraw/zinc/30/58/38/375305838.db2.gz NHQXYUCBJCTJLI-MNOVXSKESA-N 2 2 279.340 1.773 20 5 CDBDLP Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000305162821 375563392 /nfs/dbraw/zinc/56/33/92/375563392.db2.gz XLIPCNMVONFRTM-DGCLKSJQSA-N 2 2 281.356 1.476 20 5 CDBDLP C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000289312488 197293785 /nfs/dbraw/zinc/29/37/85/197293785.db2.gz FDQZDDXJNJIVKM-IAQYHMDHSA-N 2 2 293.367 1.701 20 5 CDBDLP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000289312488 197293786 /nfs/dbraw/zinc/29/37/86/197293786.db2.gz FDQZDDXJNJIVKM-IAQYHMDHSA-N 2 2 293.367 1.701 20 5 CDBDLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000261574355 390474773 /nfs/dbraw/zinc/47/47/73/390474773.db2.gz AZVBKBMFLMRJLN-NXEZZACHSA-N 2 2 267.304 1.903 20 5 CDBDLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000261574355 390474775 /nfs/dbraw/zinc/47/47/75/390474775.db2.gz AZVBKBMFLMRJLN-NXEZZACHSA-N 2 2 267.304 1.903 20 5 CDBDLP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000563352565 316263752 /nfs/dbraw/zinc/26/37/52/316263752.db2.gz JFVCGJMDASAHHH-SMDDNHRTSA-N 2 2 281.356 1.558 20 5 CDBDLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000563352565 316263755 /nfs/dbraw/zinc/26/37/55/316263755.db2.gz JFVCGJMDASAHHH-SMDDNHRTSA-N 2 2 281.356 1.558 20 5 CDBDLP C[C@@H](CC[NH2+]CC[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000905146513 626658088 /nfs/dbraw/zinc/65/80/88/626658088.db2.gz NRPYUZYCCAXTBD-ZDUSSCGKSA-N 2 2 265.357 1.763 20 5 CDBDLP C[C@@H](CC[NH2+]CC[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000905146513 626658090 /nfs/dbraw/zinc/65/80/90/626658090.db2.gz NRPYUZYCCAXTBD-ZDUSSCGKSA-N 2 2 265.357 1.763 20 5 CDBDLP O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000923359545 791834109 /nfs/dbraw/zinc/83/41/09/791834109.db2.gz RKDDHSVJYXQORJ-BPLDGKMQSA-N 2 2 291.351 1.312 20 5 CDBDLP O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000923359545 791834111 /nfs/dbraw/zinc/83/41/11/791834111.db2.gz RKDDHSVJYXQORJ-BPLDGKMQSA-N 2 2 291.351 1.312 20 5 CDBDLP O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000923359544 792747487 /nfs/dbraw/zinc/74/74/87/792747487.db2.gz RKDDHSVJYXQORJ-AEGPPILISA-N 2 2 291.351 1.312 20 5 CDBDLP O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000923359544 792747516 /nfs/dbraw/zinc/74/75/16/792747516.db2.gz RKDDHSVJYXQORJ-AEGPPILISA-N 2 2 291.351 1.312 20 5 CDBDLP C[NH+]1CC(C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172911008 912103588 /nfs/dbraw/zinc/10/35/88/912103588.db2.gz GPMBHRAWCDXRRH-OAHLLOKOSA-N 2 2 289.379 1.993 20 5 CDBDLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168996011 927604022 /nfs/dbraw/zinc/60/40/22/927604022.db2.gz TZVQSASFVHENIF-MCIONIFRSA-N 2 2 269.389 1.752 20 5 CDBDLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168996011 927604027 /nfs/dbraw/zinc/60/40/27/927604027.db2.gz TZVQSASFVHENIF-MCIONIFRSA-N 2 2 269.389 1.752 20 5 CDBDLP O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCOc2cc[nH+]cc2)C1 ZINC001169004592 927608567 /nfs/dbraw/zinc/60/85/67/927608567.db2.gz RFSJIMLZOHPONH-RYUDHWBXSA-N 2 2 265.313 1.495 20 5 CDBDLP C[C@H]1CC[C@H]([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[NH2+]1 ZINC001246080061 947931984 /nfs/dbraw/zinc/93/19/84/947931984.db2.gz MUTWFIORBVQKPJ-LEWSCRJBSA-N 2 2 275.352 1.792 20 5 CDBDLP O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CC[C@H]3[NH2+]CC[C@H]31)C2 ZINC001246633325 948370262 /nfs/dbraw/zinc/37/02/62/948370262.db2.gz CEEZSYIWCAEWGR-RRFJBIMHSA-N 2 2 273.336 1.498 20 5 CDBDLP O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CC[C@H]3[NH2+]CC[C@H]31)C2 ZINC001246633325 948370268 /nfs/dbraw/zinc/37/02/68/948370268.db2.gz CEEZSYIWCAEWGR-RRFJBIMHSA-N 2 2 273.336 1.498 20 5 CDBDLP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001246857046 948482790 /nfs/dbraw/zinc/48/27/90/948482790.db2.gz ZIRPLBGRLUBDOD-UXIGCNINSA-N 2 2 275.352 1.949 20 5 CDBDLP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001246857046 948482794 /nfs/dbraw/zinc/48/27/94/948482794.db2.gz ZIRPLBGRLUBDOD-UXIGCNINSA-N 2 2 275.352 1.949 20 5 CDBDLP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1C[C@H]3C[NH2+]C[C@H]31)CC2 ZINC001246917130 948518985 /nfs/dbraw/zinc/51/89/85/948518985.db2.gz KBAGLDSWPDHUQU-IIAWOOMASA-N 2 2 287.363 1.746 20 5 CDBDLP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1C[C@H]3C[NH2+]C[C@H]31)CC2 ZINC001246917130 948518992 /nfs/dbraw/zinc/51/89/92/948518992.db2.gz KBAGLDSWPDHUQU-IIAWOOMASA-N 2 2 287.363 1.746 20 5 CDBDLP Cc1[nH+]cc(C[NH2+]Cc2ccccc2[N+](=O)[O-])n1C ZINC000594927149 342974024 /nfs/dbraw/zinc/97/40/24/342974024.db2.gz YIBNDTUMYIBENI-UHFFFAOYSA-N 2 2 260.297 1.927 20 5 CDBDLP C[NH+](C)C1CC[NH+](CCNc2ncccc2[N+](=O)[O-])CC1 ZINC000301512843 201038595 /nfs/dbraw/zinc/03/85/95/201038595.db2.gz DLSBOOJDYGEQBH-UHFFFAOYSA-N 2 2 293.371 1.428 20 5 CDBDLP C[NH2+]CCC[N@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420390826 244191491 /nfs/dbraw/zinc/19/14/91/244191491.db2.gz RAPFSKIWSDJTBX-LLVKDONJSA-N 2 2 294.355 1.463 20 5 CDBDLP C[NH2+]CCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420390826 244191498 /nfs/dbraw/zinc/19/14/98/244191498.db2.gz RAPFSKIWSDJTBX-LLVKDONJSA-N 2 2 294.355 1.463 20 5 CDBDLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000422796565 245266217 /nfs/dbraw/zinc/26/62/17/245266217.db2.gz YNBWHKMBYPZLCF-AAEUAGOBSA-N 2 2 263.341 1.725 20 5 CDBDLP Cc1ccc(CCC[NH2+]CCn2cc([N+](=O)[O-])cn2)c[nH+]1 ZINC000354411913 375706723 /nfs/dbraw/zinc/70/67/23/375706723.db2.gz MKIFHNBKQHXPRW-UHFFFAOYSA-N 2 2 289.339 1.717 20 5 CDBDLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000163233270 390179207 /nfs/dbraw/zinc/17/92/07/390179207.db2.gz KRLDFLWPOBXKJD-VHSXEESVSA-N 2 2 267.304 1.903 20 5 CDBDLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000163233270 390179211 /nfs/dbraw/zinc/17/92/11/390179211.db2.gz KRLDFLWPOBXKJD-VHSXEESVSA-N 2 2 267.304 1.903 20 5 CDBDLP CC(C)c1ccc(C[N@H+](C)C[C@H](O)C[NH3+])cc1[N+](=O)[O-] ZINC000415053765 391253223 /nfs/dbraw/zinc/25/32/23/391253223.db2.gz KPAPSDUXTNWXQZ-GFCCVEGCSA-N 2 2 281.356 1.470 20 5 CDBDLP CC(C)c1ccc(C[N@@H+](C)C[C@H](O)C[NH3+])cc1[N+](=O)[O-] ZINC000415053765 391253225 /nfs/dbraw/zinc/25/32/25/391253225.db2.gz KPAPSDUXTNWXQZ-GFCCVEGCSA-N 2 2 281.356 1.470 20 5 CDBDLP C[NH2+]CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000423242847 277272580 /nfs/dbraw/zinc/27/25/80/277272580.db2.gz JKKNELRIMUIFHP-QWRGUYRKSA-N 2 2 267.333 1.084 20 5 CDBDLP C[C@@H]([NH3+])C[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000863568824 797502952 /nfs/dbraw/zinc/50/29/52/797502952.db2.gz NMJQFTXPCZGCOQ-SNVBAGLBSA-N 2 2 280.328 1.202 20 5 CDBDLP C[C@@H]([NH3+])C[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000863568824 797502962 /nfs/dbraw/zinc/50/29/62/797502962.db2.gz NMJQFTXPCZGCOQ-SNVBAGLBSA-N 2 2 280.328 1.202 20 5 CDBDLP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H]1C[NH3+] ZINC001173217050 912303464 /nfs/dbraw/zinc/30/34/64/912303464.db2.gz KPSGAXPIAQUHOM-RISCZKNCSA-N 2 2 263.341 1.949 20 5 CDBDLP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H]1C[NH3+] ZINC001173217050 912303479 /nfs/dbraw/zinc/30/34/79/912303479.db2.gz KPSGAXPIAQUHOM-RISCZKNCSA-N 2 2 263.341 1.949 20 5 CDBDLP O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@H+](CC3CCC3)C2)C1 ZINC001168992814 927601274 /nfs/dbraw/zinc/60/12/74/927601274.db2.gz KWTWEHFGBOVIDN-KFWWJZLASA-N 2 2 281.400 1.896 20 5 CDBDLP O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@@H+](CC3CCC3)C2)C1 ZINC001168992814 927601279 /nfs/dbraw/zinc/60/12/79/927601279.db2.gz KWTWEHFGBOVIDN-KFWWJZLASA-N 2 2 281.400 1.896 20 5 CDBDLP Cc1ccc(C[NH+]2CCC([NH2+]CCO)CC2)cc1[N+](=O)[O-] ZINC000601329030 342554530 /nfs/dbraw/zinc/55/45/30/342554530.db2.gz DJHWIDZRIIGYOW-UHFFFAOYSA-N 2 2 293.367 1.450 20 5 CDBDLP C[NH2+]C[C@H]1CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000123587723 187100156 /nfs/dbraw/zinc/10/01/56/187100156.db2.gz SIRAHBJUQGQJTN-CQSZACIVSA-N 2 2 263.341 1.821 20 5 CDBDLP C[NH2+]C[C@H]1CCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000123587723 187100157 /nfs/dbraw/zinc/10/01/57/187100157.db2.gz SIRAHBJUQGQJTN-CQSZACIVSA-N 2 2 263.341 1.821 20 5 CDBDLP C[NH+](C)C[C@@H](O)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566476196 357821717 /nfs/dbraw/zinc/82/17/17/357821717.db2.gz UMPXVMYAOGAFKA-GXFFZTMASA-N 2 2 279.340 1.094 20 5 CDBDLP COc1ccc(C[NH2+][C@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000414801237 241395797 /nfs/dbraw/zinc/39/57/97/241395797.db2.gz LSDMHJWKMVIQOS-LLVKDONJSA-N 2 2 265.313 1.430 20 5 CDBDLP C[C@H](C[NH3+])[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000414923175 370315902 /nfs/dbraw/zinc/31/59/02/370315902.db2.gz DKHVHJZRKMNJIV-SNVBAGLBSA-N 2 2 289.339 1.432 20 5 CDBDLP [NH3+]C[C@H]1CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000430561531 393101360 /nfs/dbraw/zinc/10/13/60/393101360.db2.gz MLQAOYWKUHSQGY-GFCCVEGCSA-N 2 2 265.313 1.397 20 5 CDBDLP [NH3+]C[C@H]1CCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000430561531 393101368 /nfs/dbraw/zinc/10/13/68/393101368.db2.gz MLQAOYWKUHSQGY-GFCCVEGCSA-N 2 2 265.313 1.397 20 5 CDBDLP [NH3+]C[C@@H]1CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000430561532 393101384 /nfs/dbraw/zinc/10/13/84/393101384.db2.gz MLQAOYWKUHSQGY-LBPRGKRZSA-N 2 2 265.313 1.397 20 5 CDBDLP [NH3+]C[C@@H]1CCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000430561532 393101391 /nfs/dbraw/zinc/10/13/91/393101391.db2.gz MLQAOYWKUHSQGY-LBPRGKRZSA-N 2 2 265.313 1.397 20 5 CDBDLP O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000494414614 393231834 /nfs/dbraw/zinc/23/18/34/393231834.db2.gz WNUMKVSUIQBJQK-LBPRGKRZSA-N 2 2 272.308 1.896 20 5 CDBDLP COc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1[N+](=O)[O-] ZINC000261604219 140362429 /nfs/dbraw/zinc/36/24/29/140362429.db2.gz CLWCSGLFQQCJLM-QWHCGFSZSA-N 2 2 291.351 1.787 20 5 CDBDLP COc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1[N+](=O)[O-] ZINC000261604219 140362430 /nfs/dbraw/zinc/36/24/30/140362430.db2.gz CLWCSGLFQQCJLM-QWHCGFSZSA-N 2 2 291.351 1.787 20 5 CDBDLP O=[N+]([O-])c1cccc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000261772094 140387637 /nfs/dbraw/zinc/38/76/37/140387637.db2.gz WENHOCHRTBXNEX-OAHLLOKOSA-N 2 2 290.367 1.074 20 5 CDBDLP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000347044544 153390659 /nfs/dbraw/zinc/39/06/59/153390659.db2.gz NENBZZAHHAVOKC-ZDUSSCGKSA-N 2 2 263.341 1.945 20 5 CDBDLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000347044544 153390661 /nfs/dbraw/zinc/39/06/61/153390661.db2.gz NENBZZAHHAVOKC-ZDUSSCGKSA-N 2 2 263.341 1.945 20 5 CDBDLP Cn1c[nH+]cc1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000348932663 154010202 /nfs/dbraw/zinc/01/02/02/154010202.db2.gz FUNAAWFIEURPMA-UHFFFAOYSA-N 2 2 275.312 1.294 20 5 CDBDLP O=[N+]([O-])c1ccccc1C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261637807 275039756 /nfs/dbraw/zinc/03/97/56/275039756.db2.gz IKANUDMBBQNEPL-AWEZNQCLSA-N 2 2 290.367 1.074 20 5 CDBDLP COc1c(O)ccc(C[NH2+][C@@H](C)CC[NH+](C)C)c1[N+](=O)[O-] ZINC000892762585 617709588 /nfs/dbraw/zinc/70/95/88/617709588.db2.gz FUMNYBPMNXQUEA-JTQLQIEISA-N 2 2 297.355 1.739 20 5 CDBDLP O=[N+]([O-])CC[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000905033130 626376213 /nfs/dbraw/zinc/37/62/13/626376213.db2.gz BUYIOFTXJCEAJY-UHFFFAOYSA-N 2 2 292.383 1.065 20 5 CDBDLP Cc1[nH+]cn([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c1CC[NH3+] ZINC001168966592 1161995666 /nfs/dbraw/zinc/99/56/66/1161995666.db2.gz JPVGKXTUQQEERF-GHMZBOCLSA-N 2 2 252.318 1.311 20 5 CDBDLP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886841621 811328945 /nfs/dbraw/zinc/32/89/45/811328945.db2.gz QWPICVCODWZTPW-NXEZZACHSA-N 2 2 250.302 1.205 20 5 CDBDLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000133944829 930475866 /nfs/dbraw/zinc/47/58/66/930475866.db2.gz IEJHBJQYUIBDQQ-DGCLKSJQSA-N 2 2 279.340 1.451 20 5 CDBDLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC[N+](=O)[O-] ZINC001334683883 959283949 /nfs/dbraw/zinc/28/39/49/959283949.db2.gz DKISRIFFCBDXSZ-UKRRQHHQSA-N 2 2 277.368 1.763 20 5 CDBDLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC[N+](=O)[O-] ZINC001334683883 959283965 /nfs/dbraw/zinc/28/39/65/959283965.db2.gz DKISRIFFCBDXSZ-UKRRQHHQSA-N 2 2 277.368 1.763 20 5 CDBDLP COc1ccc(C[NH2+]C[C@@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000591275601 342623860 /nfs/dbraw/zinc/62/38/60/342623860.db2.gz IMYASVPDYGEENY-LBPRGKRZSA-N 2 2 279.340 1.835 20 5 CDBDLP CO[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000167358834 363171595 /nfs/dbraw/zinc/17/15/95/363171595.db2.gz UONCZRHLZRJWNR-LSDHHAIUSA-N 2 2 293.367 1.575 20 5 CDBDLP CO[C@@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000167358834 363171600 /nfs/dbraw/zinc/17/16/00/363171600.db2.gz UONCZRHLZRJWNR-LSDHHAIUSA-N 2 2 293.367 1.575 20 5 CDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)C1CC([NH3+])C1 ZINC000420325837 244088704 /nfs/dbraw/zinc/08/87/04/244088704.db2.gz DJJVOEQJSHUKEN-UHFFFAOYSA-N 2 2 292.339 1.263 20 5 CDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)C1CC([NH3+])C1 ZINC000420325837 244088707 /nfs/dbraw/zinc/08/87/07/244088707.db2.gz DJJVOEQJSHUKEN-UHFFFAOYSA-N 2 2 292.339 1.263 20 5 CDBDLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000420367728 244152370 /nfs/dbraw/zinc/15/23/70/244152370.db2.gz NFRWCJKKTDCKEY-LALPHHSUSA-N 2 2 293.367 1.950 20 5 CDBDLP COc1ccc(C[NH2+][C@H]2CCC[NH2+][C@@H]2C)cc1[N+](=O)[O-] ZINC000414956954 371169780 /nfs/dbraw/zinc/16/97/80/371169780.db2.gz QKNNLXLMYSFBAM-PWSUYJOCSA-N 2 2 279.340 1.834 20 5 CDBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]([NH3+])CC ZINC000414973064 371196874 /nfs/dbraw/zinc/19/68/74/371196874.db2.gz BQDKRUXXWDBWSZ-NSHDSACASA-N 2 2 267.329 1.820 20 5 CDBDLP COc1ccc(C[NH2+][C@H]2CC[NH2+]C2(C)C)cc1[N+](=O)[O-] ZINC000415030896 391246983 /nfs/dbraw/zinc/24/69/83/391246983.db2.gz DBJKPCPWLZXFPP-ZDUSSCGKSA-N 2 2 279.340 1.834 20 5 CDBDLP [NH3+]CCC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000414673589 391339536 /nfs/dbraw/zinc/33/95/36/391339536.db2.gz QZXPRXVOSFABDF-UHFFFAOYSA-N 2 2 264.329 1.066 20 5 CDBDLP CCOc1ccc([C@@H](C)[NH2+][C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000423340176 392962751 /nfs/dbraw/zinc/96/27/51/392962751.db2.gz XFVWFOCBJAGAKC-NXEZZACHSA-N 2 2 267.329 1.991 20 5 CDBDLP [NH3+]C[C@H]1CCCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000430612215 393102458 /nfs/dbraw/zinc/10/24/58/393102458.db2.gz QSKHCCYWCGFWEW-CYBMUJFWSA-N 2 2 279.340 1.787 20 5 CDBDLP [NH3+]C[C@H]1CCCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000430612215 393102461 /nfs/dbraw/zinc/10/24/61/393102461.db2.gz QSKHCCYWCGFWEW-CYBMUJFWSA-N 2 2 279.340 1.787 20 5 CDBDLP O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c(F)c1 ZINC000261843230 140397698 /nfs/dbraw/zinc/39/76/98/140397698.db2.gz VYHATJOITMESDJ-JQWIXIFHSA-N 2 2 279.315 1.775 20 5 CDBDLP O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c(F)c1 ZINC000261843230 140397699 /nfs/dbraw/zinc/39/76/99/140397699.db2.gz VYHATJOITMESDJ-JQWIXIFHSA-N 2 2 279.315 1.775 20 5 CDBDLP O=[N+]([O-])CC[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000905069058 626615709 /nfs/dbraw/zinc/61/57/09/626615709.db2.gz BFYTWPCCWBGHRV-UHFFFAOYSA-N 2 2 269.389 1.897 20 5 CDBDLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886839959 818642644 /nfs/dbraw/zinc/64/26/44/818642644.db2.gz PPFWIIDQWKTKTP-NSHDSACASA-N 2 2 264.329 1.468 20 5 CDBDLP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H]2C[C@H]2[NH3+])c1F ZINC001173190838 912286541 /nfs/dbraw/zinc/28/65/41/912286541.db2.gz HXDZPAPNBCEYLI-FXBDTBDDSA-N 2 2 283.303 1.363 20 5 CDBDLP COc1cc(NC(=[NH2+])SCC[NH3+])cc([N+](=O)[O-])c1C ZINC001167913303 897805837 /nfs/dbraw/zinc/80/58/37/897805837.db2.gz WPCZPOIHXHBXGX-UHFFFAOYSA-N 2 2 284.341 1.950 20 5 CDBDLP [NH3+]C[C@@H]1Cc2ccccc2C[N@@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169001059 927606393 /nfs/dbraw/zinc/60/63/93/927606393.db2.gz CQYRCZVEONCGBT-MAZHCROVSA-N 2 2 289.379 1.817 20 5 CDBDLP [NH3+]C[C@@H]1Cc2ccccc2C[N@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169001059 927606400 /nfs/dbraw/zinc/60/64/00/927606400.db2.gz CQYRCZVEONCGBT-MAZHCROVSA-N 2 2 289.379 1.817 20 5 CDBDLP C[NH+](C)CCCC1CC[NH+](Cn2nccc2[N+](=O)[O-])CC1 ZINC000160038678 934412976 /nfs/dbraw/zinc/41/29/76/934412976.db2.gz HJJDSVRAAAMYGN-UHFFFAOYSA-N 2 2 295.387 1.803 20 5 CDBDLP [NH3+][C@@]12C[C@@H]1CC[N@@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001246657548 948391780 /nfs/dbraw/zinc/39/17/80/948391780.db2.gz OJPCEQUUELGAHO-NWANDNLSSA-N 2 2 273.336 1.485 20 5 CDBDLP [NH3+][C@@]12C[C@@H]1CC[N@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001246657548 948391784 /nfs/dbraw/zinc/39/17/84/948391784.db2.gz OJPCEQUUELGAHO-NWANDNLSSA-N 2 2 273.336 1.485 20 5 CDBDLP C[NH+](C)CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000330708351 282105755 /nfs/dbraw/zinc/10/57/55/282105755.db2.gz VOUFVGOPBDXBIA-NWDGAFQWSA-N 2 2 281.360 1.426 20 5 CDBDLP COc1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000107578061 349707252 /nfs/dbraw/zinc/70/72/52/349707252.db2.gz SJRMGDCRIVSVOY-VXGBXAGGSA-N 2 2 277.324 1.255 20 5 CDBDLP C[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000296805459 200003404 /nfs/dbraw/zinc/00/34/04/200003404.db2.gz UNCXPERCFIYRMI-NHYWBVRUSA-N 2 2 293.367 1.701 20 5 CDBDLP C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000296805459 200003405 /nfs/dbraw/zinc/00/34/05/200003405.db2.gz UNCXPERCFIYRMI-NHYWBVRUSA-N 2 2 293.367 1.701 20 5 CDBDLP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000168610273 361323279 /nfs/dbraw/zinc/32/32/79/361323279.db2.gz VGZWTIQAPZKSCW-QWRGUYRKSA-N 2 2 292.339 1.202 20 5 CDBDLP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000168610273 361323282 /nfs/dbraw/zinc/32/32/82/361323282.db2.gz VGZWTIQAPZKSCW-QWRGUYRKSA-N 2 2 292.339 1.202 20 5 CDBDLP COc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000414844011 370585924 /nfs/dbraw/zinc/58/59/24/370585924.db2.gz KKBIPUUQGSNREL-NSHDSACASA-N 2 2 265.313 1.445 20 5 CDBDLP CN1CC[NH2+]C[C@@H]1C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000414971845 371196952 /nfs/dbraw/zinc/19/69/52/371196952.db2.gz WXDVRRHDOKNZFC-SDQPKGBYSA-N 2 2 290.367 1.101 20 5 CDBDLP Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000331956881 204335217 /nfs/dbraw/zinc/33/52/17/204335217.db2.gz RNIKIPAHGXQNAN-UHFFFAOYSA-N 2 2 290.327 1.431 20 5 CDBDLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000423017393 374367941 /nfs/dbraw/zinc/36/79/41/374367941.db2.gz WGORLJXDWQQPMO-TZMCWYRMSA-N 2 2 293.367 1.494 20 5 CDBDLP Cc1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000357109252 375887862 /nfs/dbraw/zinc/88/78/62/375887862.db2.gz XDEVWKVCPPZJQS-ZIAGYGMSSA-N 2 2 275.352 1.945 20 5 CDBDLP Cc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000357109252 375887864 /nfs/dbraw/zinc/88/78/64/375887864.db2.gz XDEVWKVCPPZJQS-ZIAGYGMSSA-N 2 2 275.352 1.945 20 5 CDBDLP O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H]1CCC[NH2+]C1 ZINC000414861096 285160140 /nfs/dbraw/zinc/16/01/40/285160140.db2.gz DXMPMRUOQOJAAL-YIALFULDSA-N 2 2 261.325 1.950 20 5 CDBDLP C[C@@H](C[NH3+])[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000430940142 393107306 /nfs/dbraw/zinc/10/73/06/393107306.db2.gz NYYYIGJHCMGGIJ-JTQLQIEISA-N 2 2 253.302 1.253 20 5 CDBDLP C[C@@H](C[NH3+])[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000430940142 393107319 /nfs/dbraw/zinc/10/73/19/393107319.db2.gz NYYYIGJHCMGGIJ-JTQLQIEISA-N 2 2 253.302 1.253 20 5 CDBDLP CC[N@H+](CCO)CC[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000346210129 153097911 /nfs/dbraw/zinc/09/79/11/153097911.db2.gz GREZZCUGNCJLSL-ALCCZGGFSA-N 2 2 293.367 1.512 20 5 CDBDLP CC[N@@H+](CCO)CC[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000346210129 153097912 /nfs/dbraw/zinc/09/79/12/153097912.db2.gz GREZZCUGNCJLSL-ALCCZGGFSA-N 2 2 293.367 1.512 20 5 CDBDLP C[C@@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000045107540 175308073 /nfs/dbraw/zinc/30/80/73/175308073.db2.gz XMCTXFXCHZGEOZ-NSHDSACASA-N 2 2 251.330 1.677 20 5 CDBDLP C[N@H+](CCN1CC[NH2+]CC1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000071150162 176045377 /nfs/dbraw/zinc/04/53/77/176045377.db2.gz QTAMALFEKSPDMB-UHFFFAOYSA-N 2 2 296.346 1.071 20 5 CDBDLP C[N@@H+](CCN1CC[NH2+]CC1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000071150162 176045378 /nfs/dbraw/zinc/04/53/78/176045378.db2.gz QTAMALFEKSPDMB-UHFFFAOYSA-N 2 2 296.346 1.071 20 5 CDBDLP C[C@H]([NH2+]CC1([NH3+])CCC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000342123533 279463214 /nfs/dbraw/zinc/46/32/14/279463214.db2.gz CJUGTGWSTUTLDE-JTQLQIEISA-N 2 2 292.339 1.393 20 5 CDBDLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]CC[N+](=O)[O-])CC1 ZINC000905182109 626664620 /nfs/dbraw/zinc/66/46/20/626664620.db2.gz WREZDMRCUNEIDC-LBPRGKRZSA-N 2 2 278.356 1.473 20 5 CDBDLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000783675092 824410677 /nfs/dbraw/zinc/41/06/77/824410677.db2.gz UXAYIEMPBYTBMQ-ZDUSSCGKSA-N 2 2 299.758 1.404 20 5 CDBDLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000783675092 824410679 /nfs/dbraw/zinc/41/06/79/824410679.db2.gz UXAYIEMPBYTBMQ-ZDUSSCGKSA-N 2 2 299.758 1.404 20 5 CDBDLP CC[N@H+](CC[NH3+])CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000863552369 828804773 /nfs/dbraw/zinc/80/47/73/828804773.db2.gz YOHDIXUMGLKQGS-UHFFFAOYSA-N 2 2 298.318 1.343 20 5 CDBDLP CC[N@@H+](CC[NH3+])CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000863552369 828804774 /nfs/dbraw/zinc/80/47/74/828804774.db2.gz YOHDIXUMGLKQGS-UHFFFAOYSA-N 2 2 298.318 1.343 20 5 CDBDLP [NH3+]C1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000923277141 827835532 /nfs/dbraw/zinc/83/55/32/827835532.db2.gz KVHYTRUHMIEFKM-CYBMUJFWSA-N 2 2 265.313 1.051 20 5 CDBDLP C[NH+](C)C1(CNc2cccnc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC001164211718 939431075 /nfs/dbraw/zinc/43/10/75/939431075.db2.gz QAYWVQOQXBUKEO-UHFFFAOYSA-N 2 2 293.371 1.428 20 5 CDBDLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001246103699 947953670 /nfs/dbraw/zinc/95/36/70/947953670.db2.gz YMBHPQPRQBVTNA-WDBKCZKBSA-N 2 2 275.352 1.650 20 5 CDBDLP C[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CC([NH3+])C1 ZINC000592433821 342691822 /nfs/dbraw/zinc/69/18/22/342691822.db2.gz YIBDFBKEGPUIJS-UHFFFAOYSA-N 2 2 293.323 1.288 20 5 CDBDLP C[N@@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CC([NH3+])C1 ZINC000592433821 342691824 /nfs/dbraw/zinc/69/18/24/342691824.db2.gz YIBDFBKEGPUIJS-UHFFFAOYSA-N 2 2 293.323 1.288 20 5 CDBDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000534581373 282201320 /nfs/dbraw/zinc/20/13/20/282201320.db2.gz IEMKWSIDXXNPGV-NSHDSACASA-N 2 2 290.327 1.014 20 5 CDBDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000534581373 282201323 /nfs/dbraw/zinc/20/13/23/282201323.db2.gz IEMKWSIDXXNPGV-NSHDSACASA-N 2 2 290.327 1.014 20 5 CDBDLP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000414837483 367128647 /nfs/dbraw/zinc/12/86/47/367128647.db2.gz KETKOPPNUPTIRD-SECBINFHSA-N 2 2 255.293 1.679 20 5 CDBDLP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430935469 393105580 /nfs/dbraw/zinc/10/55/80/393105580.db2.gz UDGYHMFMJVPKTA-GHMZBOCLSA-N 2 2 292.339 1.202 20 5 CDBDLP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430935469 393105585 /nfs/dbraw/zinc/10/55/85/393105585.db2.gz UDGYHMFMJVPKTA-GHMZBOCLSA-N 2 2 292.339 1.202 20 5 CDBDLP O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000494414613 393231854 /nfs/dbraw/zinc/23/18/54/393231854.db2.gz WNUMKVSUIQBJQK-GFCCVEGCSA-N 2 2 272.308 1.896 20 5 CDBDLP O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000261645392 140368688 /nfs/dbraw/zinc/36/86/88/140368688.db2.gz XLIFMEIBVVVNET-CQSZACIVSA-N 2 2 261.325 1.780 20 5 CDBDLP O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000261645392 140368689 /nfs/dbraw/zinc/36/86/89/140368689.db2.gz XLIFMEIBVVVNET-CQSZACIVSA-N 2 2 261.325 1.780 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261707774 140378725 /nfs/dbraw/zinc/37/87/25/140378725.db2.gz OYDYZTNRPXDQMA-YPMHNXCESA-N 2 2 291.351 1.645 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261707774 140378726 /nfs/dbraw/zinc/37/87/26/140378726.db2.gz OYDYZTNRPXDQMA-YPMHNXCESA-N 2 2 291.351 1.645 20 5 CDBDLP COc1ccc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000049235664 524074397 /nfs/dbraw/zinc/07/43/97/524074397.db2.gz WMIUMJVHOYYTSI-NSHDSACASA-N 2 2 290.323 1.978 20 5 CDBDLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168957856 927580109 /nfs/dbraw/zinc/58/01/09/927580109.db2.gz JTFYIJXURAZPEF-AGIUHOORSA-N 2 2 255.362 1.506 20 5 CDBDLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168957856 927580115 /nfs/dbraw/zinc/58/01/15/927580115.db2.gz JTFYIJXURAZPEF-AGIUHOORSA-N 2 2 255.362 1.506 20 5 CDBDLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168996013 927602280 /nfs/dbraw/zinc/60/22/80/927602280.db2.gz TZVQSASFVHENIF-RDBSUJKOSA-N 2 2 269.389 1.752 20 5 CDBDLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168996013 927602289 /nfs/dbraw/zinc/60/22/89/927602289.db2.gz TZVQSASFVHENIF-RDBSUJKOSA-N 2 2 269.389 1.752 20 5 CDBDLP COc1ccc(C[NH2+]C[C@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000591275600 342623885 /nfs/dbraw/zinc/62/38/85/342623885.db2.gz IMYASVPDYGEENY-GFCCVEGCSA-N 2 2 279.340 1.835 20 5 CDBDLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000596652805 343371801 /nfs/dbraw/zinc/37/18/01/343371801.db2.gz IBVMNMGAKCHAMO-WDEREUQCSA-N 2 2 294.355 1.509 20 5 CDBDLP [NH3+][C@@]12CCC[C@H]1C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000598682868 343864186 /nfs/dbraw/zinc/86/41/86/343864186.db2.gz POIYGBWWYNCEMJ-SWLSCSKDSA-N 2 2 291.351 1.787 20 5 CDBDLP [NH3+][C@@]12CCC[C@H]1C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000598682868 343864187 /nfs/dbraw/zinc/86/41/87/343864187.db2.gz POIYGBWWYNCEMJ-SWLSCSKDSA-N 2 2 291.351 1.787 20 5 CDBDLP C[N@H+]1C[C@@H]2C[NH+](Cc3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000193637690 358311353 /nfs/dbraw/zinc/31/13/53/358311353.db2.gz RJGIJKDITGCFCK-BETUJISGSA-N 2 2 261.325 1.588 20 5 CDBDLP C[N@@H+]1C[C@@H]2C[NH+](Cc3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000193637690 358311356 /nfs/dbraw/zinc/31/13/56/358311356.db2.gz RJGIJKDITGCFCK-BETUJISGSA-N 2 2 261.325 1.588 20 5 CDBDLP C[NH+]1C[C@@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000193637690 358311361 /nfs/dbraw/zinc/31/13/61/358311361.db2.gz RJGIJKDITGCFCK-BETUJISGSA-N 2 2 261.325 1.588 20 5 CDBDLP C[NH+]1C[C@@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000193637690 358311365 /nfs/dbraw/zinc/31/13/65/358311365.db2.gz RJGIJKDITGCFCK-BETUJISGSA-N 2 2 261.325 1.588 20 5 CDBDLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000563352559 316263595 /nfs/dbraw/zinc/26/35/95/316263595.db2.gz JFVCGJMDASAHHH-BXUZGUMPSA-N 2 2 281.356 1.558 20 5 CDBDLP C[C@H](C[NH3+])[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420293264 244035684 /nfs/dbraw/zinc/03/56/84/244035684.db2.gz QQIFQVDYMMQYOI-SNVBAGLBSA-N 2 2 280.328 1.202 20 5 CDBDLP C[C@H](C[NH3+])[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420293264 244035687 /nfs/dbraw/zinc/03/56/87/244035687.db2.gz QQIFQVDYMMQYOI-SNVBAGLBSA-N 2 2 280.328 1.202 20 5 CDBDLP O=[N+]([O-])c1ccc(C[NH2+]CC[C@H]2CCC[NH2+]2)c(F)c1 ZINC000414900944 371035082 /nfs/dbraw/zinc/03/50/82/371035082.db2.gz FIRKYQRVJIKFPR-LLVKDONJSA-N 2 2 267.304 1.966 20 5 CDBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430965394 247742545 /nfs/dbraw/zinc/74/25/45/247742545.db2.gz LEUPPNULZNMIDY-GHMZBOCLSA-N 2 2 292.339 1.202 20 5 CDBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430965394 247742547 /nfs/dbraw/zinc/74/25/47/247742547.db2.gz LEUPPNULZNMIDY-GHMZBOCLSA-N 2 2 292.339 1.202 20 5 CDBDLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000163242147 390180235 /nfs/dbraw/zinc/18/02/35/390180235.db2.gz MADAVFSBTRAPQG-WCBMZHEXSA-N 2 2 255.343 1.825 20 5 CDBDLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000163242147 390180237 /nfs/dbraw/zinc/18/02/37/390180237.db2.gz MADAVFSBTRAPQG-WCBMZHEXSA-N 2 2 255.343 1.825 20 5 CDBDLP COc1cc(C[NH2+]C2CC[NH+](C)CC2)c([N+](=O)[O-])cc1O ZINC000237111669 131004804 /nfs/dbraw/zinc/00/48/04/131004804.db2.gz DDMBILFBTMROKS-UHFFFAOYSA-N 2 2 295.339 1.493 20 5 CDBDLP Cc1cc(N(C)C2C[NH2+]C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000420264767 392918017 /nfs/dbraw/zinc/91/80/17/392918017.db2.gz URUYCSKQJMJNSM-UHFFFAOYSA-N 2 2 299.334 1.768 20 5 CDBDLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000430552507 393100481 /nfs/dbraw/zinc/10/04/81/393100481.db2.gz RTJGKOOSZQFJFL-AWEZNQCLSA-N 2 2 294.355 1.496 20 5 CDBDLP O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261741037 140383861 /nfs/dbraw/zinc/38/38/61/140383861.db2.gz MBSYJPNNEYUDEW-AWEZNQCLSA-N 2 2 279.315 1.919 20 5 CDBDLP O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261741037 140383864 /nfs/dbraw/zinc/38/38/64/140383864.db2.gz MBSYJPNNEYUDEW-AWEZNQCLSA-N 2 2 279.315 1.919 20 5 CDBDLP C[NH2+]C[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000071147417 176043128 /nfs/dbraw/zinc/04/31/28/176043128.db2.gz DJQBJDXIXWHNIY-NSHDSACASA-N 2 2 279.340 1.645 20 5 CDBDLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000071147417 176043129 /nfs/dbraw/zinc/04/31/29/176043129.db2.gz DJQBJDXIXWHNIY-NSHDSACASA-N 2 2 279.340 1.645 20 5 CDBDLP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000563352559 316263591 /nfs/dbraw/zinc/26/35/91/316263591.db2.gz JFVCGJMDASAHHH-BXUZGUMPSA-N 2 2 281.356 1.558 20 5 CDBDLP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000579490176 324202728 /nfs/dbraw/zinc/20/27/28/324202728.db2.gz PMZHJRLVKZHUGO-SMDDNHRTSA-N 2 2 281.356 1.558 20 5 CDBDLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000579490176 324202731 /nfs/dbraw/zinc/20/27/31/324202731.db2.gz PMZHJRLVKZHUGO-SMDDNHRTSA-N 2 2 281.356 1.558 20 5 CDBDLP C[NH2+]CCC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000841043611 618678016 /nfs/dbraw/zinc/67/80/16/618678016.db2.gz XVNSHFYZDGFUKT-UHFFFAOYSA-N 2 2 257.721 1.947 20 5 CDBDLP O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)cc1 ZINC000591281908 342624313 /nfs/dbraw/zinc/62/43/13/342624313.db2.gz UPQCBOXADPOSTJ-QWRGUYRKSA-N 2 2 253.277 1.384 20 5 CDBDLP C[N@H+](CCOCC[NH3+])Cc1ccc([N+](=O)[O-])cc1Cl ZINC000600776758 342248682 /nfs/dbraw/zinc/24/86/82/342248682.db2.gz RUYGSRDKHULDKM-UHFFFAOYSA-N 2 2 287.747 1.655 20 5 CDBDLP C[N@@H+](CCOCC[NH3+])Cc1ccc([N+](=O)[O-])cc1Cl ZINC000600776758 342248683 /nfs/dbraw/zinc/24/86/83/342248683.db2.gz RUYGSRDKHULDKM-UHFFFAOYSA-N 2 2 287.747 1.655 20 5 CDBDLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCn1ccc([N+](=O)[O-])n1)C2 ZINC000595507748 343080090 /nfs/dbraw/zinc/08/00/90/343080090.db2.gz QCNHGQJFORKOHK-CQSZACIVSA-N 2 2 293.371 1.209 20 5 CDBDLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCn1ccc([N+](=O)[O-])n1)C2 ZINC000595507748 343080091 /nfs/dbraw/zinc/08/00/91/343080091.db2.gz QCNHGQJFORKOHK-CQSZACIVSA-N 2 2 293.371 1.209 20 5 CDBDLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCn1ccc([N+](=O)[O-])n1)C2 ZINC000595507748 343080092 /nfs/dbraw/zinc/08/00/92/343080092.db2.gz QCNHGQJFORKOHK-CQSZACIVSA-N 2 2 293.371 1.209 20 5 CDBDLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)C2 ZINC000595507748 343080094 /nfs/dbraw/zinc/08/00/94/343080094.db2.gz QCNHGQJFORKOHK-CQSZACIVSA-N 2 2 293.371 1.209 20 5 CDBDLP Cc1cc(N2CC[NH2+]CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000058047170 356609084 /nfs/dbraw/zinc/60/90/84/356609084.db2.gz VYCQYKVFEGAVDE-UHFFFAOYSA-N 2 2 299.334 1.770 20 5 CDBDLP O=[N+]([O-])c1ccc(CC[NH2+]CC[NH+]2CCCC2)cc1 ZINC000054127026 359159412 /nfs/dbraw/zinc/15/94/12/359159412.db2.gz ZIVBDXGFEKSKGU-UHFFFAOYSA-N 2 2 263.341 1.823 20 5 CDBDLP CC(C)(C)[NH2+]CC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000414761048 241372858 /nfs/dbraw/zinc/37/28/58/241372858.db2.gz ZWHKSLKYJZBDJB-UHFFFAOYSA-N 2 2 295.387 1.816 20 5 CDBDLP C[NH+]1CCC(CCO)([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000351504400 375302795 /nfs/dbraw/zinc/30/27/95/375302795.db2.gz WBLJYRCBBKVMEL-UHFFFAOYSA-N 2 2 293.367 1.531 20 5 CDBDLP O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428041000 247234886 /nfs/dbraw/zinc/23/48/86/247234886.db2.gz YWUVKZQLHLUMKR-OLZOCXBDSA-N 2 2 291.351 1.657 20 5 CDBDLP O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428041000 247234889 /nfs/dbraw/zinc/23/48/89/247234889.db2.gz YWUVKZQLHLUMKR-OLZOCXBDSA-N 2 2 291.351 1.657 20 5 CDBDLP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000268855259 132077721 /nfs/dbraw/zinc/07/77/21/132077721.db2.gz QQSRSXDFBNYJBT-WFASDCNBSA-N 2 2 293.367 1.702 20 5 CDBDLP CC[NH2+]CC[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000423251738 392961115 /nfs/dbraw/zinc/96/11/15/392961115.db2.gz WOUKPOKDMAJGQT-LLVKDONJSA-N 2 2 294.355 1.511 20 5 CDBDLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C[C@H]12 ZINC000261726099 140381567 /nfs/dbraw/zinc/38/15/67/140381567.db2.gz KUICMVHKYWBXMW-LJWDBELGSA-N 2 2 279.315 1.903 20 5 CDBDLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C[C@H]12 ZINC000261726099 140381569 /nfs/dbraw/zinc/38/15/69/140381569.db2.gz KUICMVHKYWBXMW-LJWDBELGSA-N 2 2 279.315 1.903 20 5 CDBDLP C[C@@H]([NH2+]CC1([NH3+])CCC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000342123535 274246057 /nfs/dbraw/zinc/24/60/57/274246057.db2.gz CJUGTGWSTUTLDE-SNVBAGLBSA-N 2 2 292.339 1.393 20 5 CDBDLP CC[N@H+](C)CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000564705580 293396811 /nfs/dbraw/zinc/39/68/11/293396811.db2.gz KDRZYHASVGQFFK-CHWSQXEVSA-N 2 2 295.387 1.816 20 5 CDBDLP CC[N@@H+](C)CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000564705580 293396814 /nfs/dbraw/zinc/39/68/14/293396814.db2.gz KDRZYHASVGQFFK-CHWSQXEVSA-N 2 2 295.387 1.816 20 5 CDBDLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000158632015 845880514 /nfs/dbraw/zinc/88/05/14/845880514.db2.gz ZDNIIAACQAHOEI-FZMZJTMJSA-N 2 2 290.323 1.503 20 5 CDBDLP O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCn2cc[nH+]c2)c1 ZINC000818957824 846863429 /nfs/dbraw/zinc/86/34/29/846863429.db2.gz HHSYYSGQYODEMK-CYBMUJFWSA-N 2 2 276.296 1.115 20 5 CDBDLP O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccc3[nH+]ccn3c2)C1 ZINC001169003581 927605140 /nfs/dbraw/zinc/60/51/40/927605140.db2.gz OKICIIVTBZAJPH-DGCLKSJQSA-N 2 2 274.324 1.869 20 5 CDBDLP Cc1c([N+](=O)[O-])cc(F)cc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169073203 927690433 /nfs/dbraw/zinc/69/04/33/927690433.db2.gz CHEXZQSGMJPNQI-SNVBAGLBSA-N 2 2 294.286 1.090 20 5 CDBDLP O=[N+]([O-])c1ccc(CC[NH+]2CCC([NH2+]CCO)CC2)cc1 ZINC000601328782 342554475 /nfs/dbraw/zinc/55/44/75/342554475.db2.gz ZADQYDKQDGYNPV-UHFFFAOYSA-N 2 2 293.367 1.184 20 5 CDBDLP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000601330040 342554742 /nfs/dbraw/zinc/55/47/42/342554742.db2.gz PHCPGRNLKCMZBK-WDEREUQCSA-N 2 2 265.313 1.395 20 5 CDBDLP C[C@H]1C[C@@H]([NH3+])C[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000601330040 342554743 /nfs/dbraw/zinc/55/47/43/342554743.db2.gz PHCPGRNLKCMZBK-WDEREUQCSA-N 2 2 265.313 1.395 20 5 CDBDLP Cc1c(NC(=O)[C@H]([NH3+])CC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000593902958 342853907 /nfs/dbraw/zinc/85/39/07/342853907.db2.gz LWFKXDGVIKRNTA-SNVBAGLBSA-N 2 2 280.328 1.121 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107573326 186179810 /nfs/dbraw/zinc/17/98/10/186179810.db2.gz UCPLBNBAXTWASQ-TXEJJXNPSA-N 2 2 277.324 1.255 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107573326 186179812 /nfs/dbraw/zinc/17/98/12/186179812.db2.gz UCPLBNBAXTWASQ-TXEJJXNPSA-N 2 2 277.324 1.255 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+](C)C1CC([NH3+])C1 ZINC000384838089 366135256 /nfs/dbraw/zinc/13/52/56/366135256.db2.gz IFVUADBKZWWAAF-UHFFFAOYSA-N 2 2 265.313 1.525 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C1CC([NH3+])C1 ZINC000384838089 366135262 /nfs/dbraw/zinc/13/52/62/366135262.db2.gz IFVUADBKZWWAAF-UHFFFAOYSA-N 2 2 265.313 1.525 20 5 CDBDLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000420382714 244179301 /nfs/dbraw/zinc/17/93/01/244179301.db2.gz ZYCRCCMGEYHTSG-TYNCELHUSA-N 2 2 293.367 1.950 20 5 CDBDLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000330880542 203346844 /nfs/dbraw/zinc/34/68/44/203346844.db2.gz NCKRDGUDIFNKJJ-RISCZKNCSA-N 2 2 279.340 1.312 20 5 CDBDLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000330880542 203346848 /nfs/dbraw/zinc/34/68/48/203346848.db2.gz NCKRDGUDIFNKJJ-RISCZKNCSA-N 2 2 279.340 1.312 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000422711424 245168413 /nfs/dbraw/zinc/16/84/13/245168413.db2.gz GYIHPRGYJMHUIC-NWDGAFQWSA-N 2 2 265.313 1.573 20 5 CDBDLP COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])cc1[N+](=O)[O-] ZINC000422943507 374364724 /nfs/dbraw/zinc/36/47/24/374364724.db2.gz KODNQCXAZNKALE-WDEREUQCSA-N 2 2 265.313 1.573 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424334186 374409303 /nfs/dbraw/zinc/40/93/03/374409303.db2.gz NEYIASFOYFWBCC-CHWSQXEVSA-N 2 2 279.340 1.963 20 5 CDBDLP C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000289312508 197293250 /nfs/dbraw/zinc/29/32/50/197293250.db2.gz FDQZDDXJNJIVKM-XHDPSFHLSA-N 2 2 293.367 1.701 20 5 CDBDLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000289312508 197293251 /nfs/dbraw/zinc/29/32/51/197293251.db2.gz FDQZDDXJNJIVKM-XHDPSFHLSA-N 2 2 293.367 1.701 20 5 CDBDLP C[NH2+]C[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000430918377 390942442 /nfs/dbraw/zinc/94/24/42/390942442.db2.gz HIYCJSZPXNMTEJ-JTQLQIEISA-N 2 2 290.323 1.777 20 5 CDBDLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000430918377 390942443 /nfs/dbraw/zinc/94/24/43/390942443.db2.gz HIYCJSZPXNMTEJ-JTQLQIEISA-N 2 2 290.323 1.777 20 5 CDBDLP O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)c1 ZINC000415030068 391247756 /nfs/dbraw/zinc/24/77/56/391247756.db2.gz BSDJQFYRYWQZFZ-ZDUSSCGKSA-N 2 2 265.313 1.063 20 5 CDBDLP O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000261586761 140357287 /nfs/dbraw/zinc/35/72/87/140357287.db2.gz JBVUJYHBNJVYGS-OCCSQVGLSA-N 2 2 261.325 1.779 20 5 CDBDLP O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000261586761 140357288 /nfs/dbraw/zinc/35/72/88/140357288.db2.gz JBVUJYHBNJVYGS-OCCSQVGLSA-N 2 2 261.325 1.779 20 5 CDBDLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000261589117 140357774 /nfs/dbraw/zinc/35/77/74/140357774.db2.gz KLGVTVNSVCPSST-NXEZZACHSA-N 2 2 267.304 1.903 20 5 CDBDLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000261589117 140357776 /nfs/dbraw/zinc/35/77/76/140357776.db2.gz KLGVTVNSVCPSST-NXEZZACHSA-N 2 2 267.304 1.903 20 5 CDBDLP COc1ccc(C[NH2+]CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000021797953 171325121 /nfs/dbraw/zinc/32/51/21/171325121.db2.gz OWWJLZUHZOFFCT-UHFFFAOYSA-N 2 2 267.329 1.645 20 5 CDBDLP Cc1c(C[NH2+]C[C@H]2C[N@@H+](C)CCN2C)cccc1[N+](=O)[O-] ZINC000068804020 525726039 /nfs/dbraw/zinc/72/60/39/525726039.db2.gz BEBAGZMBHNTAEF-AWEZNQCLSA-N 2 2 292.383 1.239 20 5 CDBDLP Cc1c(C[NH2+]C[C@H]2C[N@H+](C)CCN2C)cccc1[N+](=O)[O-] ZINC000068804020 525726044 /nfs/dbraw/zinc/72/60/44/525726044.db2.gz BEBAGZMBHNTAEF-AWEZNQCLSA-N 2 2 292.383 1.239 20 5 CDBDLP CC[NH+](CC)C[C@@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176271231 535584900 /nfs/dbraw/zinc/58/49/00/535584900.db2.gz YFAXXXNVAORBNX-ZDUSSCGKSA-N 2 2 295.387 1.455 20 5 CDBDLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176271231 535584906 /nfs/dbraw/zinc/58/49/06/535584906.db2.gz YFAXXXNVAORBNX-ZDUSSCGKSA-N 2 2 295.387 1.455 20 5 CDBDLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000131620498 697913912 /nfs/dbraw/zinc/91/39/12/697913912.db2.gz PZDFRTPWQSQXAY-NXEZZACHSA-N 2 2 267.304 1.903 20 5 CDBDLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000131620498 697913921 /nfs/dbraw/zinc/91/39/21/697913921.db2.gz PZDFRTPWQSQXAY-NXEZZACHSA-N 2 2 267.304 1.903 20 5 CDBDLP C[NH+]1CCN(C(=[NH2+])Nc2nc(Cl)ccc2[N+](=O)[O-])CC1 ZINC001168737375 921896286 /nfs/dbraw/zinc/89/62/86/921896286.db2.gz SRNATLCWHCOJDT-UHFFFAOYSA-N 2 2 298.734 1.237 20 5 CDBDLP Cc1[nH+]c2c(n1[C@H]1CC[C@H](C[N+](=O)[O-])C1)CC[NH2+]CC2 ZINC001169014448 927619888 /nfs/dbraw/zinc/61/98/88/927619888.db2.gz ZWIYVVUXGVDOOI-RYUDHWBXSA-N 2 2 278.356 1.498 20 5 CDBDLP Cc1[nH+]c2c(n1-c1ccc([N+](=O)[O-])c(C)n1)CC[NH2+]CC2 ZINC001165352513 939549861 /nfs/dbraw/zinc/54/98/61/939549861.db2.gz WZXRKTBKPVGSMC-UHFFFAOYSA-N 2 2 287.323 1.481 20 5 CDBDLP CC[C@H]([NH3+])C[N@H+](C)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001246972638 948550649 /nfs/dbraw/zinc/55/06/49/948550649.db2.gz CPENMYDWIZOUEG-GXTWGEPZSA-N 2 2 263.341 1.731 20 5 CDBDLP CC[C@H]([NH3+])C[N@@H+](C)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001246972638 948550655 /nfs/dbraw/zinc/55/06/55/948550655.db2.gz CPENMYDWIZOUEG-GXTWGEPZSA-N 2 2 263.341 1.731 20 5 CDBDLP COc1ccc(C[NH2+]CC2([NH3+])CCCC2)cc1[N+](=O)[O-] ZINC000594738641 342951279 /nfs/dbraw/zinc/95/12/79/342951279.db2.gz KGWYTBYFFSJCAF-UHFFFAOYSA-N 2 2 279.340 1.965 20 5 CDBDLP [NH3+][C@]12CCC[C@H]1C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000598682869 343864399 /nfs/dbraw/zinc/86/43/99/343864399.db2.gz POIYGBWWYNCEMJ-WFASDCNBSA-N 2 2 291.351 1.787 20 5 CDBDLP [NH3+][C@]12CCC[C@H]1C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000598682869 343864402 /nfs/dbraw/zinc/86/44/02/343864402.db2.gz POIYGBWWYNCEMJ-WFASDCNBSA-N 2 2 291.351 1.787 20 5 CDBDLP CC[N@H+](CCO)CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602619326 344498876 /nfs/dbraw/zinc/49/88/76/344498876.db2.gz MMKDNGRYBRSWCH-UHFFFAOYSA-N 2 2 281.356 1.041 20 5 CDBDLP CC[N@@H+](CCO)CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602619326 344498878 /nfs/dbraw/zinc/49/88/78/344498878.db2.gz MMKDNGRYBRSWCH-UHFFFAOYSA-N 2 2 281.356 1.041 20 5 CDBDLP Cc1[nH+]cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)n1C ZINC000566927112 358594664 /nfs/dbraw/zinc/59/46/64/358594664.db2.gz UZPHIOSVILFQDK-UHFFFAOYSA-N 2 2 274.324 1.969 20 5 CDBDLP COc1ccc(C[NH2+]C[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000414844001 367223519 /nfs/dbraw/zinc/22/35/19/367223519.db2.gz KKBIPUUQGSNREL-LLVKDONJSA-N 2 2 265.313 1.445 20 5 CDBDLP C[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1[NH3+] ZINC000420378743 244173114 /nfs/dbraw/zinc/17/31/14/244173114.db2.gz QPCRWCNDHPUNDY-ZWNOBZJWSA-N 2 2 265.313 1.253 20 5 CDBDLP C[C@@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1[NH3+] ZINC000420378743 244173120 /nfs/dbraw/zinc/17/31/20/244173120.db2.gz QPCRWCNDHPUNDY-ZWNOBZJWSA-N 2 2 265.313 1.253 20 5 CDBDLP [NH3+]C[C@H]1CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000430580464 393100883 /nfs/dbraw/zinc/10/08/83/393100883.db2.gz HNGKAVDZPZGKLL-LLVKDONJSA-N 2 2 265.313 1.397 20 5 CDBDLP [NH3+]C[C@H]1CCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000430580464 393100892 /nfs/dbraw/zinc/10/08/92/393100892.db2.gz HNGKAVDZPZGKLL-LLVKDONJSA-N 2 2 265.313 1.397 20 5 CDBDLP O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c(F)c1 ZINC000261696779 140376829 /nfs/dbraw/zinc/37/68/29/140376829.db2.gz IBXASHVMQYQJEE-CQSZACIVSA-N 2 2 279.315 1.919 20 5 CDBDLP O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c(F)c1 ZINC000261696779 140376830 /nfs/dbraw/zinc/37/68/30/140376830.db2.gz IBXASHVMQYQJEE-CQSZACIVSA-N 2 2 279.315 1.919 20 5 CDBDLP [NH3+]C[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000044530339 175194764 /nfs/dbraw/zinc/19/47/64/175194764.db2.gz AJWNJAUZBJKIKX-JTQLQIEISA-N 2 2 267.304 1.905 20 5 CDBDLP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000044530339 175194766 /nfs/dbraw/zinc/19/47/66/175194766.db2.gz AJWNJAUZBJKIKX-JTQLQIEISA-N 2 2 267.304 1.905 20 5 CDBDLP C[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000068803092 525506540 /nfs/dbraw/zinc/50/65/40/525506540.db2.gz DMCHJNBQTLJVMV-DOMZBBRYSA-N 2 2 292.383 1.491 20 5 CDBDLP C[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000068803092 525506542 /nfs/dbraw/zinc/50/65/42/525506542.db2.gz DMCHJNBQTLJVMV-DOMZBBRYSA-N 2 2 292.383 1.491 20 5 CDBDLP COc1cc(C[NH2+]C2CC([NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000906510772 627298220 /nfs/dbraw/zinc/29/82/20/627298220.db2.gz WOQVIQABECAGFV-UHFFFAOYSA-N 2 2 281.312 1.191 20 5 CDBDLP O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CC[NH+]2CCCCCC2)C1 ZINC001168968131 927590688 /nfs/dbraw/zinc/59/06/88/927590688.db2.gz WKIIKBRFVFDUAI-UONOGXRCSA-N 2 2 269.389 1.897 20 5 CDBDLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCn1cc([N+](=O)[O-])cn1 ZINC000844221666 931557506 /nfs/dbraw/zinc/55/75/06/931557506.db2.gz ROAIYTDUAVHDPV-YOGCLGLASA-N 2 2 279.344 1.136 20 5 CDBDLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCn1cc([N+](=O)[O-])cn1 ZINC000844221666 931557510 /nfs/dbraw/zinc/55/75/10/931557510.db2.gz ROAIYTDUAVHDPV-YOGCLGLASA-N 2 2 279.344 1.136 20 5 CDBDLP C[NH+]1CC(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254578059 947535464 /nfs/dbraw/zinc/53/54/64/947535464.db2.gz ITSSRFCRJNCLAB-CYBMUJFWSA-N 2 2 261.325 1.213 20 5 CDBDLP Cn1cc[nH+]c1C[C@H]([NH2+]CC[N+](=O)[O-])c1ccccc1 ZINC001336736722 960523742 /nfs/dbraw/zinc/52/37/42/960523742.db2.gz MQNPCRYGKNSUQY-ZDUSSCGKSA-N 2 2 274.324 1.570 20 5 CDBDLP O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000591448637 342633016 /nfs/dbraw/zinc/63/30/16/342633016.db2.gz KUVFBTHDAIWWDJ-UKRRQHHQSA-N 2 2 275.352 1.821 20 5 CDBDLP O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000591448637 342633017 /nfs/dbraw/zinc/63/30/17/342633017.db2.gz KUVFBTHDAIWWDJ-UKRRQHHQSA-N 2 2 275.352 1.821 20 5 CDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000593902598 342853875 /nfs/dbraw/zinc/85/38/75/342853875.db2.gz BHKCGNICJAROAY-LLVKDONJSA-N 2 2 280.328 1.121 20 5 CDBDLP O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428041001 247233590 /nfs/dbraw/zinc/23/35/90/247233590.db2.gz YWUVKZQLHLUMKR-QWHCGFSZSA-N 2 2 291.351 1.657 20 5 CDBDLP O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428041001 247233594 /nfs/dbraw/zinc/23/35/94/247233594.db2.gz YWUVKZQLHLUMKR-QWHCGFSZSA-N 2 2 291.351 1.657 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000129146345 391637208 /nfs/dbraw/zinc/63/72/08/391637208.db2.gz XFUISRLVXLLZQS-PWSUYJOCSA-N 2 2 279.340 1.915 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000129146345 391637210 /nfs/dbraw/zinc/63/72/10/391637210.db2.gz XFUISRLVXLLZQS-PWSUYJOCSA-N 2 2 279.340 1.915 20 5 CDBDLP O=[N+]([O-])c1ccc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000261735145 140382257 /nfs/dbraw/zinc/38/22/57/140382257.db2.gz RRLOOUHDCXWTFR-OAHLLOKOSA-N 2 2 290.367 1.074 20 5 CDBDLP [NH3+][C@@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000346064205 153040915 /nfs/dbraw/zinc/04/09/15/153040915.db2.gz KOOLZWOKTDPHNZ-LLVKDONJSA-N 2 2 292.339 1.347 20 5 CDBDLP [NH3+][C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000346064205 153040917 /nfs/dbraw/zinc/04/09/17/153040917.db2.gz KOOLZWOKTDPHNZ-LLVKDONJSA-N 2 2 292.339 1.347 20 5 CDBDLP [NH3+][C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000346085684 153047159 /nfs/dbraw/zinc/04/71/59/153047159.db2.gz UGDWZZMUXOTJCP-NSHDSACASA-N 2 2 292.339 1.347 20 5 CDBDLP [NH3+][C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000346085684 153047161 /nfs/dbraw/zinc/04/71/61/153047161.db2.gz UGDWZZMUXOTJCP-NSHDSACASA-N 2 2 292.339 1.347 20 5 CDBDLP C[C@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000045107541 175308293 /nfs/dbraw/zinc/30/82/93/175308293.db2.gz XMCTXFXCHZGEOZ-LLVKDONJSA-N 2 2 251.330 1.677 20 5 CDBDLP C[C@@]1(C[NH3+])CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000261555857 525831760 /nfs/dbraw/zinc/83/17/60/525831760.db2.gz QDCLJQWYLXVLRV-NSHDSACASA-N 2 2 255.343 1.827 20 5 CDBDLP C[C@@]1(C[NH3+])CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000261555857 525831762 /nfs/dbraw/zinc/83/17/62/525831762.db2.gz QDCLJQWYLXVLRV-NSHDSACASA-N 2 2 255.343 1.827 20 5 CDBDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cccnc3[N+](=O)[O-])CC[C@@H]21 ZINC000886044533 930795546 /nfs/dbraw/zinc/79/55/46/930795546.db2.gz ZFKJWNMVPJHFDG-JSGCOSHPSA-N 2 2 290.367 1.906 20 5 CDBDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccnc3[N+](=O)[O-])CC[C@@H]21 ZINC000886044533 930795552 /nfs/dbraw/zinc/79/55/52/930795552.db2.gz ZFKJWNMVPJHFDG-JSGCOSHPSA-N 2 2 290.367 1.906 20 5 CDBDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccnc3[N+](=O)[O-])CC[C@@H]21 ZINC000886044533 930795559 /nfs/dbraw/zinc/79/55/59/930795559.db2.gz ZFKJWNMVPJHFDG-JSGCOSHPSA-N 2 2 290.367 1.906 20 5 CDBDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccnc3[N+](=O)[O-])CC[C@@H]21 ZINC000886044533 930795564 /nfs/dbraw/zinc/79/55/64/930795564.db2.gz ZFKJWNMVPJHFDG-JSGCOSHPSA-N 2 2 290.367 1.906 20 5 CDBDLP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886839958 930972976 /nfs/dbraw/zinc/97/29/76/930972976.db2.gz PPFWIIDQWKTKTP-LLVKDONJSA-N 2 2 264.329 1.468 20 5 CDBDLP Cn1cc[nH+]c1CC[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254599746 947551349 /nfs/dbraw/zinc/55/13/49/947551349.db2.gz PSOMTXRWRSLDNP-ZDUSSCGKSA-N 2 2 286.335 1.628 20 5 CDBDLP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000595415750 343054235 /nfs/dbraw/zinc/05/42/35/343054235.db2.gz SHTZSOZDWKDLNU-IUODEOHRSA-N 2 2 295.383 1.947 20 5 CDBDLP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000595415750 343054236 /nfs/dbraw/zinc/05/42/36/343054236.db2.gz SHTZSOZDWKDLNU-IUODEOHRSA-N 2 2 295.383 1.947 20 5 CDBDLP O=[N+]([O-])c1ccn(CC[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000584460323 357726535 /nfs/dbraw/zinc/72/65/35/357726535.db2.gz WYSZISGQFAKXPY-QWHCGFSZSA-N 2 2 293.371 1.398 20 5 CDBDLP O=[N+]([O-])c1ccn(CC[N@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000584460323 357726538 /nfs/dbraw/zinc/72/65/38/357726538.db2.gz WYSZISGQFAKXPY-QWHCGFSZSA-N 2 2 293.371 1.398 20 5 CDBDLP Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000363122552 360139778 /nfs/dbraw/zinc/13/97/78/360139778.db2.gz PTUDEGSOXPEDHE-SNVBAGLBSA-N 2 2 290.327 1.431 20 5 CDBDLP Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000363122552 360139783 /nfs/dbraw/zinc/13/97/83/360139783.db2.gz PTUDEGSOXPEDHE-SNVBAGLBSA-N 2 2 290.327 1.431 20 5 CDBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](C)C[NH2+]C ZINC000414848419 367567740 /nfs/dbraw/zinc/56/77/40/367567740.db2.gz WYIRJTFEVBQAKS-NSHDSACASA-N 2 2 281.356 1.939 20 5 CDBDLP C[NH2+]CCC[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000414857988 370897119 /nfs/dbraw/zinc/89/71/19/370897119.db2.gz HAFKGZGGWBIJFL-UHFFFAOYSA-N 2 2 283.328 1.311 20 5 CDBDLP C[NH2+]CC[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420334815 244102390 /nfs/dbraw/zinc/10/23/90/244102390.db2.gz HWCCZLPUBODQHO-UHFFFAOYSA-N 2 2 280.328 1.075 20 5 CDBDLP C[NH2+]CC[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420334815 244102395 /nfs/dbraw/zinc/10/23/95/244102395.db2.gz HWCCZLPUBODQHO-UHFFFAOYSA-N 2 2 280.328 1.075 20 5 CDBDLP [NH3+]C[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420290204 374294448 /nfs/dbraw/zinc/29/44/48/374294448.db2.gz LOCNYLXXQPEAPL-CYBMUJFWSA-N 2 2 292.339 1.347 20 5 CDBDLP [NH3+]C[C@H]1CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420290204 374294456 /nfs/dbraw/zinc/29/44/56/374294456.db2.gz LOCNYLXXQPEAPL-CYBMUJFWSA-N 2 2 292.339 1.347 20 5 CDBDLP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000415092523 391256918 /nfs/dbraw/zinc/25/69/18/391256918.db2.gz GIXLNBSLAQWJNI-GXTWGEPZSA-N 2 2 293.367 1.494 20 5 CDBDLP C[NH2+]C[C@@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000430644396 393102277 /nfs/dbraw/zinc/10/22/77/393102277.db2.gz NGSYPQUURXSGSX-ZDUSSCGKSA-N 2 2 293.367 1.905 20 5 CDBDLP C[NH2+]C[C@@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000430644396 393102281 /nfs/dbraw/zinc/10/22/81/393102281.db2.gz NGSYPQUURXSGSX-ZDUSSCGKSA-N 2 2 293.367 1.905 20 5 CDBDLP COc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000261604217 140362300 /nfs/dbraw/zinc/36/23/00/140362300.db2.gz CLWCSGLFQQCJLM-OLZOCXBDSA-N 2 2 291.351 1.787 20 5 CDBDLP COc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000261604217 140362301 /nfs/dbraw/zinc/36/23/01/140362301.db2.gz CLWCSGLFQQCJLM-OLZOCXBDSA-N 2 2 291.351 1.787 20 5 CDBDLP COc1ccc(C[N@@H+]2CCCO[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000313331459 260284240 /nfs/dbraw/zinc/28/42/40/260284240.db2.gz BQGGRUUKZUTMMW-LBPRGKRZSA-N 2 2 295.339 1.153 20 5 CDBDLP COc1ccc(C[N@H+]2CCCO[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000313331459 260284242 /nfs/dbraw/zinc/28/42/42/260284242.db2.gz BQGGRUUKZUTMMW-LBPRGKRZSA-N 2 2 295.339 1.153 20 5 CDBDLP CCn1c[nH+]cc1CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000841888359 937021078 /nfs/dbraw/zinc/02/10/78/937021078.db2.gz XDLHUXHQDUOGJV-UHFFFAOYSA-N 2 2 289.339 1.777 20 5 CDBDLP Cc1c(NC(=O)CC[N@@H+](C)C[C@@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000863569064 929573227 /nfs/dbraw/zinc/57/32/27/929573227.db2.gz PLJDIJKUWOEBNO-SNVBAGLBSA-N 2 2 294.355 1.511 20 5 CDBDLP Cc1c(NC(=O)CC[N@H+](C)C[C@@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000863569064 929573233 /nfs/dbraw/zinc/57/32/33/929573233.db2.gz PLJDIJKUWOEBNO-SNVBAGLBSA-N 2 2 294.355 1.511 20 5 CDBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CC(C)(C[NH3+])C1 ZINC001246596951 932048666 /nfs/dbraw/zinc/04/86/66/932048666.db2.gz KVQLQLSHJVVMRA-NSHDSACASA-N 2 2 263.341 1.806 20 5 CDBDLP CC[NH+](CC)CC[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254568468 947531473 /nfs/dbraw/zinc/53/14/73/947531473.db2.gz ULBKFXXIJJCOLN-AWEZNQCLSA-N 2 2 277.368 1.993 20 5 CDBDLP O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CCCn1cc[nH+]c1)C2 ZINC001254568392 947531724 /nfs/dbraw/zinc/53/17/24/947531724.db2.gz UEMYLOCMDRDLSR-CQSZACIVSA-N 2 2 286.335 1.938 20 5 CDBDLP [NH3+][C@@H]1CC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC[C@H]1F ZINC001246568758 948288643 /nfs/dbraw/zinc/28/86/43/948288643.db2.gz AYWFSTOODOXAEO-RBSFLKMASA-N 2 2 293.342 1.823 20 5 CDBDLP [NH3+][C@@H]1CC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC[C@H]1F ZINC001246568758 948288650 /nfs/dbraw/zinc/28/86/50/948288650.db2.gz AYWFSTOODOXAEO-RBSFLKMASA-N 2 2 293.342 1.823 20 5 CDBDLP Cc1[nH]c(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])[nH+]c1C ZINC000600162125 341981628 /nfs/dbraw/zinc/98/16/28/341981628.db2.gz SYDNCPVGZKKGIB-UHFFFAOYSA-N 2 2 289.339 1.900 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCC[NH3+] ZINC000123327503 342264209 /nfs/dbraw/zinc/26/42/09/342264209.db2.gz IRFZQVKDXVDGRJ-UHFFFAOYSA-N 2 2 253.302 1.384 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCC[NH3+] ZINC000123327503 342264210 /nfs/dbraw/zinc/26/42/10/342264210.db2.gz IRFZQVKDXVDGRJ-UHFFFAOYSA-N 2 2 253.302 1.384 20 5 CDBDLP C[N@H+](CCOc1cccc([N+](=O)[O-])c1)CC(C)(C)[NH3+] ZINC000595898188 343186412 /nfs/dbraw/zinc/18/64/12/343186412.db2.gz GEPJEOGOAKSRLF-UHFFFAOYSA-N 2 2 267.329 1.643 20 5 CDBDLP C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CC(C)(C)[NH3+] ZINC000595898188 343186414 /nfs/dbraw/zinc/18/64/14/343186414.db2.gz GEPJEOGOAKSRLF-UHFFFAOYSA-N 2 2 267.329 1.643 20 5 CDBDLP COc1ccc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000193625271 358310312 /nfs/dbraw/zinc/31/03/12/358310312.db2.gz TYAARXYCTPKGAF-BETUJISGSA-N 2 2 291.351 1.597 20 5 CDBDLP COc1ccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000193625271 358310314 /nfs/dbraw/zinc/31/03/14/358310314.db2.gz TYAARXYCTPKGAF-BETUJISGSA-N 2 2 291.351 1.597 20 5 CDBDLP COc1ccc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000193625271 358310315 /nfs/dbraw/zinc/31/03/15/358310315.db2.gz TYAARXYCTPKGAF-BETUJISGSA-N 2 2 291.351 1.597 20 5 CDBDLP COc1ccc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000193625271 358310317 /nfs/dbraw/zinc/31/03/17/358310317.db2.gz TYAARXYCTPKGAF-BETUJISGSA-N 2 2 291.351 1.597 20 5 CDBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090320424 367030925 /nfs/dbraw/zinc/03/09/25/367030925.db2.gz JBENYCSBCMSASW-UTUOFQBUSA-N 2 2 261.325 1.807 20 5 CDBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090320424 367030934 /nfs/dbraw/zinc/03/09/34/367030934.db2.gz JBENYCSBCMSASW-UTUOFQBUSA-N 2 2 261.325 1.807 20 5 CDBDLP COc1ccc(C[NH2+][C@@H]2CCC[NH2+][C@H]2C)cc1[N+](=O)[O-] ZINC000414956950 241482590 /nfs/dbraw/zinc/48/25/90/241482590.db2.gz QKNNLXLMYSFBAM-CMPLNLGQSA-N 2 2 279.340 1.834 20 5 CDBDLP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000113515846 374261168 /nfs/dbraw/zinc/26/11/68/374261168.db2.gz XJIRWMSTDVGKFI-GFCCVEGCSA-N 2 2 263.341 1.978 20 5 CDBDLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000113515846 374261174 /nfs/dbraw/zinc/26/11/74/374261174.db2.gz XJIRWMSTDVGKFI-GFCCVEGCSA-N 2 2 263.341 1.978 20 5 CDBDLP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1[N+](=O)[O-] ZINC000423511228 374388369 /nfs/dbraw/zinc/38/83/69/374388369.db2.gz KDHPCUKDRRLSHG-OCCSQVGLSA-N 2 2 293.367 1.932 20 5 CDBDLP O=[N+]([O-])c1cc(C[NH2+]CCC[NH2+]C2CC2)cs1 ZINC000415064291 391253996 /nfs/dbraw/zinc/25/39/96/391253996.db2.gz CHOOVMYTNGCMCZ-UHFFFAOYSA-N 2 2 255.343 1.888 20 5 CDBDLP CCOc1ccc([C@H](C)[NH2+][C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000423340178 392962768 /nfs/dbraw/zinc/96/27/68/392962768.db2.gz XFVWFOCBJAGAKC-ZJUUUORDSA-N 2 2 267.329 1.991 20 5 CDBDLP C[C@H](CC[NH+]1CCOCC1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000124243715 298430511 /nfs/dbraw/zinc/43/05/11/298430511.db2.gz SCSQLIZCIZAMGV-CYBMUJFWSA-N 2 2 293.367 1.795 20 5 CDBDLP [NH3+]CC[N@H+](Cc1ccccc1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168956638 927576762 /nfs/dbraw/zinc/57/67/62/927576762.db2.gz CBZLWWZQJURPFT-LSDHHAIUSA-N 2 2 277.368 1.893 20 5 CDBDLP [NH3+]CC[N@@H+](Cc1ccccc1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168956638 927576769 /nfs/dbraw/zinc/57/67/69/927576769.db2.gz CBZLWWZQJURPFT-LSDHHAIUSA-N 2 2 277.368 1.893 20 5 CDBDLP CC(C)[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168972375 927596426 /nfs/dbraw/zinc/59/64/26/927596426.db2.gz MTSHDGDKUCKOEN-AVGNSLFASA-N 2 2 255.362 1.504 20 5 CDBDLP CC(C)[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168972375 927596434 /nfs/dbraw/zinc/59/64/34/927596434.db2.gz MTSHDGDKUCKOEN-AVGNSLFASA-N 2 2 255.362 1.504 20 5 CDBDLP O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C3CCC3)C2)C1 ZINC001168995242 927601446 /nfs/dbraw/zinc/60/14/46/927601446.db2.gz SASKYKISOBRFFH-AVGNSLFASA-N 2 2 267.373 1.648 20 5 CDBDLP O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C3CCC3)C2)C1 ZINC001168995242 927601452 /nfs/dbraw/zinc/60/14/52/927601452.db2.gz SASKYKISOBRFFH-AVGNSLFASA-N 2 2 267.373 1.648 20 5 CDBDLP Cc1[nH+]cc2n1CC[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169010241 927614660 /nfs/dbraw/zinc/61/46/60/927614660.db2.gz BRMAYLZVDWKPBD-VXGBXAGGSA-N 2 2 264.329 1.453 20 5 CDBDLP Cc1[nH+]cc2n1CC[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169010241 927614663 /nfs/dbraw/zinc/61/46/63/927614663.db2.gz BRMAYLZVDWKPBD-VXGBXAGGSA-N 2 2 264.329 1.453 20 5 CDBDLP C[C@@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000593902428 342853597 /nfs/dbraw/zinc/85/35/97/342853597.db2.gz SWINMJKILKDOAC-MFKMUULPSA-N 2 2 294.355 1.051 20 5 CDBDLP O=[N+]([O-])c1cnn(CC[N@@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000584354024 366387420 /nfs/dbraw/zinc/38/74/20/366387420.db2.gz YXTFYBKHCYBKFT-KBPBESRZSA-N 2 2 293.371 1.398 20 5 CDBDLP O=[N+]([O-])c1cnn(CC[N@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000584354024 366387428 /nfs/dbraw/zinc/38/74/28/366387428.db2.gz YXTFYBKHCYBKFT-KBPBESRZSA-N 2 2 293.371 1.398 20 5 CDBDLP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000415092527 241558792 /nfs/dbraw/zinc/55/87/92/241558792.db2.gz GIXLNBSLAQWJNI-OCCSQVGLSA-N 2 2 293.367 1.494 20 5 CDBDLP CC[C@H]([NH3+])C[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000414972249 371196825 /nfs/dbraw/zinc/19/68/25/371196825.db2.gz AQEPFVDZLLSRGX-JTQLQIEISA-N 2 2 283.328 1.439 20 5 CDBDLP CCOc1ccc([C@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1[N+](=O)[O-] ZINC000423431834 374381221 /nfs/dbraw/zinc/38/12/21/374381221.db2.gz LZBIMNDIAUVQHL-APAOZMKASA-N 2 2 291.351 1.862 20 5 CDBDLP C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC[NH+](CCO)CC1 ZINC000353363697 375601758 /nfs/dbraw/zinc/60/17/58/375601758.db2.gz KXZVYLUXTLDWMU-UHFFFAOYSA-N 2 2 293.367 1.483 20 5 CDBDLP C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC[NH+](CCO)CC1 ZINC000353363697 375601765 /nfs/dbraw/zinc/60/17/65/375601765.db2.gz KXZVYLUXTLDWMU-UHFFFAOYSA-N 2 2 293.367 1.483 20 5 CDBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC1([NH3+])CCC1 ZINC000342153606 130344979 /nfs/dbraw/zinc/34/49/79/130344979.db2.gz ZNJLHKKTIHPPKW-UHFFFAOYSA-N 2 2 279.340 1.965 20 5 CDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@H](C)C[NH3+] ZINC000430936101 393105084 /nfs/dbraw/zinc/10/50/84/393105084.db2.gz XDJTZORIZFCUMU-LLVKDONJSA-N 2 2 294.355 1.511 20 5 CDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@H](C)C[NH3+] ZINC000430936101 393105091 /nfs/dbraw/zinc/10/50/91/393105091.db2.gz XDJTZORIZFCUMU-LLVKDONJSA-N 2 2 294.355 1.511 20 5 CDBDLP CC(C)[NH2+]C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176229504 148030894 /nfs/dbraw/zinc/03/08/94/148030894.db2.gz WLUYAVRYQIBVLX-UHFFFAOYSA-N 2 2 281.360 1.254 20 5 CDBDLP O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359472444 158257223 /nfs/dbraw/zinc/25/72/23/158257223.db2.gz LSURVESSMXGPPC-VDKLAZJHSA-N 2 2 273.336 1.759 20 5 CDBDLP O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359472444 158257225 /nfs/dbraw/zinc/25/72/25/158257225.db2.gz LSURVESSMXGPPC-VDKLAZJHSA-N 2 2 273.336 1.759 20 5 CDBDLP C[N@@H+]1CCC[C@@H](C[NH2+]CC[N+](=O)[O-])[C@H]1c1cccs1 ZINC000905133055 626647367 /nfs/dbraw/zinc/64/73/67/626647367.db2.gz OTWUDNPJIBABAE-AAEUAGOBSA-N 2 2 283.397 1.997 20 5 CDBDLP C[N@H+]1CCC[C@@H](C[NH2+]CC[N+](=O)[O-])[C@H]1c1cccs1 ZINC000905133055 626647370 /nfs/dbraw/zinc/64/73/70/626647370.db2.gz OTWUDNPJIBABAE-AAEUAGOBSA-N 2 2 283.397 1.997 20 5 CDBDLP C[C@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000886840124 678156270 /nfs/dbraw/zinc/15/62/70/678156270.db2.gz UDAGYMLULVZYCF-JQWIXIFHSA-N 2 2 264.329 1.407 20 5 CDBDLP C[C@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000886840124 678156271 /nfs/dbraw/zinc/15/62/71/678156271.db2.gz UDAGYMLULVZYCF-JQWIXIFHSA-N 2 2 264.329 1.407 20 5 CDBDLP C[NH2+]C[C@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923283287 678828975 /nfs/dbraw/zinc/82/89/75/678828975.db2.gz UKXVHFGQGRQTRA-IUODEOHRSA-N 2 2 293.367 1.560 20 5 CDBDLP C[NH2+]C[C@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923283287 678828977 /nfs/dbraw/zinc/82/89/77/678828977.db2.gz UKXVHFGQGRQTRA-IUODEOHRSA-N 2 2 293.367 1.560 20 5 CDBDLP C[C@@H](C[NH3+])[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000843349985 678959260 /nfs/dbraw/zinc/95/92/60/678959260.db2.gz BKJDLDOWOIIRJT-VIFPVBQESA-N 2 2 298.318 1.342 20 5 CDBDLP C[C@@H](C[NH3+])[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000843349985 678959261 /nfs/dbraw/zinc/95/92/61/678959261.db2.gz BKJDLDOWOIIRJT-VIFPVBQESA-N 2 2 298.318 1.342 20 5 CDBDLP C[C@]1([NH3+])CC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001246533956 931622560 /nfs/dbraw/zinc/62/25/60/931622560.db2.gz FCNVKNGBJSKEHV-KBPBESRZSA-N 2 2 261.325 1.485 20 5 CDBDLP C[C@]1([NH3+])CC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001246533956 931622563 /nfs/dbraw/zinc/62/25/63/931622563.db2.gz FCNVKNGBJSKEHV-KBPBESRZSA-N 2 2 261.325 1.485 20 5 CDBDLP Cc1c(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000107578044 349707655 /nfs/dbraw/zinc/70/76/55/349707655.db2.gz UKOHDNCKNUQIFE-CHWSQXEVSA-N 2 2 261.325 1.554 20 5 CDBDLP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000595415748 343054272 /nfs/dbraw/zinc/05/42/72/343054272.db2.gz SHTZSOZDWKDLNU-DOMZBBRYSA-N 2 2 295.383 1.947 20 5 CDBDLP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000595415748 343054273 /nfs/dbraw/zinc/05/42/73/343054273.db2.gz SHTZSOZDWKDLNU-DOMZBBRYSA-N 2 2 295.383 1.947 20 5 CDBDLP C[NH2+]C[C@H](C)[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000596107156 343229031 /nfs/dbraw/zinc/22/90/31/343229031.db2.gz SBBKRTUUHLWEGW-MNOVXSKESA-N 2 2 294.355 1.509 20 5 CDBDLP [NH3+][C@@]12CCC[C@H]1C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000598684978 343865004 /nfs/dbraw/zinc/86/50/04/343865004.db2.gz ZOCLMFSDJGTVEZ-DZGCQCFKSA-N 2 2 275.352 1.951 20 5 CDBDLP [NH3+][C@@]12CCC[C@H]1C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000598684978 343865007 /nfs/dbraw/zinc/86/50/07/343865007.db2.gz ZOCLMFSDJGTVEZ-DZGCQCFKSA-N 2 2 275.352 1.951 20 5 CDBDLP Cc1[nH+]cc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)n1C ZINC000567628026 358709818 /nfs/dbraw/zinc/70/98/18/358709818.db2.gz HFSYBACPAGWCAC-UHFFFAOYSA-N 2 2 290.323 1.805 20 5 CDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]CC1([NH3+])CCC1 ZINC000342137155 358945607 /nfs/dbraw/zinc/94/56/07/358945607.db2.gz OSQDXSLWGAKOBJ-UHFFFAOYSA-N 2 2 292.339 1.313 20 5 CDBDLP C[C@@H]([NH3+])[C@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000168610366 361322971 /nfs/dbraw/zinc/32/29/71/361322971.db2.gz VGZWTIQAPZKSCW-MNOVXSKESA-N 2 2 292.339 1.202 20 5 CDBDLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000168610366 361322975 /nfs/dbraw/zinc/32/29/75/361322975.db2.gz VGZWTIQAPZKSCW-MNOVXSKESA-N 2 2 292.339 1.202 20 5 CDBDLP O=[N+]([O-])c1ccn(C2CC[NH+](CCn3cc[nH+]c3)CC2)n1 ZINC000365517572 364304087 /nfs/dbraw/zinc/30/40/87/364304087.db2.gz TZKIEGSGZIRFBG-UHFFFAOYSA-N 2 2 290.327 1.325 20 5 CDBDLP CCOc1ccc([C@@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1[N+](=O)[O-] ZINC000423431838 374381014 /nfs/dbraw/zinc/38/10/14/374381014.db2.gz LZBIMNDIAUVQHL-NYMYIZQJSA-N 2 2 291.351 1.862 20 5 CDBDLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000423500867 374386583 /nfs/dbraw/zinc/38/65/83/374386583.db2.gz DCIACILLTGYZSC-FZMZJTMJSA-N 2 2 279.340 1.624 20 5 CDBDLP O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000415091915 391014725 /nfs/dbraw/zinc/01/47/25/391014725.db2.gz DLYHQJSEOQURBX-LQPUYASZSA-N 2 2 277.324 1.186 20 5 CDBDLP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000430550465 393101325 /nfs/dbraw/zinc/10/13/25/393101325.db2.gz GJESTUCPBISFRL-AWEZNQCLSA-N 2 2 294.355 1.157 20 5 CDBDLP CCC[N@H+](Cc1c([N+](=O)[O-])ncn1C)C1CC[NH2+]CC1 ZINC000431087191 393108015 /nfs/dbraw/zinc/10/80/15/393108015.db2.gz PMGFRPUYXQJZOU-UHFFFAOYSA-N 2 2 281.360 1.292 20 5 CDBDLP CCC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)C1CC[NH2+]CC1 ZINC000431087191 393108020 /nfs/dbraw/zinc/10/80/20/393108020.db2.gz PMGFRPUYXQJZOU-UHFFFAOYSA-N 2 2 281.360 1.292 20 5 CDBDLP COc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000261598894 140360946 /nfs/dbraw/zinc/36/09/46/140360946.db2.gz BAHGSBPVWGMSNH-QWHCGFSZSA-N 2 2 291.351 1.645 20 5 CDBDLP COc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000261598894 140360948 /nfs/dbraw/zinc/36/09/48/140360948.db2.gz BAHGSBPVWGMSNH-QWHCGFSZSA-N 2 2 291.351 1.645 20 5 CDBDLP C[NH2+]C[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000071147419 176043580 /nfs/dbraw/zinc/04/35/80/176043580.db2.gz DJQBJDXIXWHNIY-LLVKDONJSA-N 2 2 279.340 1.645 20 5 CDBDLP C[NH2+]C[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000071147419 176043581 /nfs/dbraw/zinc/04/35/81/176043581.db2.gz DJQBJDXIXWHNIY-LLVKDONJSA-N 2 2 279.340 1.645 20 5 CDBDLP C[C@@](C[NH3+])([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000430564081 274447942 /nfs/dbraw/zinc/44/79/42/274447942.db2.gz YHSGFOOJSYIGAM-ZDUSSCGKSA-N 2 2 267.304 1.951 20 5 CDBDLP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1C[NH2+]CCO1)CCC2 ZINC000423543176 275037845 /nfs/dbraw/zinc/03/78/45/275037845.db2.gz BOIFUCFWTUPEJA-HIFRSBDPSA-N 2 2 291.351 1.550 20 5 CDBDLP O=[N+]([O-])c1ccc(CCCC[NH2+][C@@H]2C[NH2+]CCOC2)cc1 ZINC000925569946 682176330 /nfs/dbraw/zinc/17/63/30/682176330.db2.gz BPVVKPAWQMAQRN-CQSZACIVSA-N 2 2 293.367 1.496 20 5 CDBDLP O=[N+]([O-])CC[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000930442504 683068938 /nfs/dbraw/zinc/06/89/38/683068938.db2.gz RLTZJGKYMPGPAQ-UHFFFAOYSA-N 2 2 286.335 1.634 20 5 CDBDLP C[NH2+]CCC[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923381020 683877195 /nfs/dbraw/zinc/87/71/95/683877195.db2.gz ZIIVXSGREPAVEL-ZDUSSCGKSA-N 2 2 267.329 1.170 20 5 CDBDLP C[NH2+]CCC[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923381020 683877197 /nfs/dbraw/zinc/87/71/97/683877197.db2.gz ZIIVXSGREPAVEL-ZDUSSCGKSA-N 2 2 267.329 1.170 20 5 CDBDLP O=[N+]([O-])c1ccc(CC[N@@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)cc1 ZINC000221938832 344603552 /nfs/dbraw/zinc/60/35/52/344603552.db2.gz FXGGHOYJZKWCBX-DZGCQCFKSA-N 2 2 275.352 1.821 20 5 CDBDLP O=[N+]([O-])c1ccc(CC[N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)cc1 ZINC000221938832 344603554 /nfs/dbraw/zinc/60/35/54/344603554.db2.gz FXGGHOYJZKWCBX-DZGCQCFKSA-N 2 2 275.352 1.821 20 5 CDBDLP COC[C@@]1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000414947431 370937482 /nfs/dbraw/zinc/93/74/82/370937482.db2.gz VBYHOEIIGAAMGA-AWEZNQCLSA-N 2 2 279.340 1.453 20 5 CDBDLP Cc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000330870406 203335429 /nfs/dbraw/zinc/33/54/29/203335429.db2.gz FTDDNISZJAMOJE-DOMZBBRYSA-N 2 2 293.367 1.620 20 5 CDBDLP Cc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000330870406 203335431 /nfs/dbraw/zinc/33/54/31/203335431.db2.gz FTDDNISZJAMOJE-DOMZBBRYSA-N 2 2 293.367 1.620 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000422711409 245168527 /nfs/dbraw/zinc/16/85/27/245168527.db2.gz GYIHPRGYJMHUIC-NEPJUHHUSA-N 2 2 265.313 1.573 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113513337 374261775 /nfs/dbraw/zinc/26/17/75/374261775.db2.gz ZRXLBPFPCCFLHL-GFCCVEGCSA-N 2 2 293.367 1.987 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113513337 374261781 /nfs/dbraw/zinc/26/17/81/374261781.db2.gz ZRXLBPFPCCFLHL-GFCCVEGCSA-N 2 2 293.367 1.987 20 5 CDBDLP O=[N+]([O-])c1ccc(C[NH2+]CCC[NH2+]C2CC2)c(F)c1 ZINC000415065852 391253875 /nfs/dbraw/zinc/25/38/75/391253875.db2.gz HVRWHZCVAXCMJK-UHFFFAOYSA-N 2 2 267.304 1.966 20 5 CDBDLP O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000261586759 140357374 /nfs/dbraw/zinc/35/73/74/140357374.db2.gz JBVUJYHBNJVYGS-GXTWGEPZSA-N 2 2 261.325 1.779 20 5 CDBDLP O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000261586759 140357377 /nfs/dbraw/zinc/35/73/77/140357377.db2.gz JBVUJYHBNJVYGS-GXTWGEPZSA-N 2 2 261.325 1.779 20 5 CDBDLP CC1(C)[C@H]([NH2+]Cc2cc(F)ccc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000883442043 685408237 /nfs/dbraw/zinc/40/82/37/685408237.db2.gz DDEJZJDGWMFWIW-NWDGAFQWSA-N 2 2 267.304 1.949 20 5 CDBDLP CC(=O)Nc1ccc(NC(=[NH2+])SCC[NH3+])cc1[N+](=O)[O-] ZINC001167912723 897130575 /nfs/dbraw/zinc/13/05/75/897130575.db2.gz RIKNZEHEFZHVRX-UHFFFAOYSA-N 2 2 297.340 1.592 20 5 CDBDLP COc1cccc(NC(=[NH2+])N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC001168736794 921885337 /nfs/dbraw/zinc/88/53/37/921885337.db2.gz KLRVRGMHRHUUSO-UHFFFAOYSA-N 2 2 293.327 1.197 20 5 CDBDLP [NH3+][C@H](C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CC1 ZINC000591278203 342623993 /nfs/dbraw/zinc/62/39/93/342623993.db2.gz CNKRVARQFIZJRX-LLVKDONJSA-N 2 2 293.323 1.193 20 5 CDBDLP O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H]1CCC[NH2+]C1 ZINC000414861092 370897931 /nfs/dbraw/zinc/89/79/31/370897931.db2.gz DXMPMRUOQOJAAL-RJNRQISESA-N 2 2 261.325 1.950 20 5 CDBDLP C[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000289312479 197293294 /nfs/dbraw/zinc/29/32/94/197293294.db2.gz FDQZDDXJNJIVKM-ABAIWWIYSA-N 2 2 293.367 1.701 20 5 CDBDLP C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000289312479 197293296 /nfs/dbraw/zinc/29/32/96/197293296.db2.gz FDQZDDXJNJIVKM-ABAIWWIYSA-N 2 2 293.367 1.701 20 5 CDBDLP O=[N+]([O-])c1cccc(C[NH2+]C[C@H]2C[NH2+]CCCO2)c1 ZINC000415030066 391247676 /nfs/dbraw/zinc/24/76/76/391247676.db2.gz BSDJQFYRYWQZFZ-CYBMUJFWSA-N 2 2 265.313 1.063 20 5 CDBDLP C[C@@H]([NH2+]CC1([NH3+])CCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000342121939 130279514 /nfs/dbraw/zinc/27/95/14/130279514.db2.gz HAPUOKRQZYKAQO-SNVBAGLBSA-N 2 2 292.339 1.393 20 5 CDBDLP Cc1c(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000193600134 140147204 /nfs/dbraw/zinc/14/72/04/140147204.db2.gz UWYQKRDEKLJNFP-OKILXGFUSA-N 2 2 275.352 1.897 20 5 CDBDLP Cc1c(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000193600134 140147205 /nfs/dbraw/zinc/14/72/05/140147205.db2.gz UWYQKRDEKLJNFP-OKILXGFUSA-N 2 2 275.352 1.897 20 5 CDBDLP Cc1c(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000193600134 140147206 /nfs/dbraw/zinc/14/72/06/140147206.db2.gz UWYQKRDEKLJNFP-OKILXGFUSA-N 2 2 275.352 1.897 20 5 CDBDLP Cc1c(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000193600134 140147207 /nfs/dbraw/zinc/14/72/07/140147207.db2.gz UWYQKRDEKLJNFP-OKILXGFUSA-N 2 2 275.352 1.897 20 5 CDBDLP Cc1c(C[NH2+]C[C@@](C)(O)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000227972633 688702325 /nfs/dbraw/zinc/70/23/25/688702325.db2.gz UJZJOKDSQQNSGD-CQSZACIVSA-N 2 2 281.356 1.305 20 5 CDBDLP Cc1cnc(NCC[NH+]2CCC([NH3+])CC2)c([N+](=O)[O-])c1 ZINC000721986391 723117833 /nfs/dbraw/zinc/11/78/33/723117833.db2.gz NJAJZCDXJAZZCJ-UHFFFAOYSA-N 2 2 279.344 1.133 20 5 CDBDLP CC1(C)[C@H]([NH2+]Cc2cccnc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000886841623 930974209 /nfs/dbraw/zinc/97/42/09/930974209.db2.gz QWPICVCODWZTPW-VHSXEESVSA-N 2 2 250.302 1.205 20 5 CDBDLP C[C@@H](C[NH+](C)C)[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254573004 947532822 /nfs/dbraw/zinc/53/28/22/947532822.db2.gz VFMKPIHXRLOTND-GWCFXTLKSA-N 2 2 263.341 1.602 20 5 CDBDLP O=[N+]([O-])CC[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC001353247918 967821539 /nfs/dbraw/zinc/82/15/39/967821539.db2.gz QTXHHGFSMDEEGZ-UHFFFAOYSA-N 2 2 255.362 1.507 20 5 CDBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC([NH2+]CCO)CC1 ZINC000601328108 342554324 /nfs/dbraw/zinc/55/43/24/342554324.db2.gz HDHGIFPIQCAFHO-LBPRGKRZSA-N 2 2 293.367 1.702 20 5 CDBDLP [NH3+][C@]12CCC[C@H]1C[N@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC000598681950 343864229 /nfs/dbraw/zinc/86/42/29/343864229.db2.gz KIKGDMXQOOBFKI-JSGCOSHPSA-N 2 2 261.325 1.908 20 5 CDBDLP [NH3+][C@]12CCC[C@H]1C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC000598681950 343864231 /nfs/dbraw/zinc/86/42/31/343864231.db2.gz KIKGDMXQOOBFKI-JSGCOSHPSA-N 2 2 261.325 1.908 20 5 CDBDLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H]1C ZINC000603435295 344808841 /nfs/dbraw/zinc/80/88/41/344808841.db2.gz XKEZBDAXEIRVIN-IJLUTSLNSA-N 2 2 281.360 1.239 20 5 CDBDLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H]1C ZINC000603435295 344808842 /nfs/dbraw/zinc/80/88/42/344808842.db2.gz XKEZBDAXEIRVIN-IJLUTSLNSA-N 2 2 281.360 1.239 20 5 CDBDLP [NH3+]C[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000420394204 244195605 /nfs/dbraw/zinc/19/56/05/244195605.db2.gz RJQUZRNCPWCAON-CQSZACIVSA-N 2 2 295.339 1.023 20 5 CDBDLP [NH3+]C[C@@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000420394204 244195612 /nfs/dbraw/zinc/19/56/12/244195612.db2.gz RJQUZRNCPWCAON-CQSZACIVSA-N 2 2 295.339 1.023 20 5 CDBDLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000422796567 245267090 /nfs/dbraw/zinc/26/70/90/245267090.db2.gz YNBWHKMBYPZLCF-WCQYABFASA-N 2 2 263.341 1.725 20 5 CDBDLP C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC[NH+](CCO)CC1 ZINC000353355669 375598575 /nfs/dbraw/zinc/59/85/75/375598575.db2.gz QUXMHBMGBSOUNS-UHFFFAOYSA-N 2 2 293.367 1.483 20 5 CDBDLP C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC[NH+](CCO)CC1 ZINC000353355669 375598582 /nfs/dbraw/zinc/59/85/82/375598582.db2.gz QUXMHBMGBSOUNS-UHFFFAOYSA-N 2 2 293.367 1.483 20 5 CDBDLP O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000261586762 140356604 /nfs/dbraw/zinc/35/66/04/140356604.db2.gz JBVUJYHBNJVYGS-TZMCWYRMSA-N 2 2 261.325 1.779 20 5 CDBDLP O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000261586762 140356605 /nfs/dbraw/zinc/35/66/05/140356605.db2.gz JBVUJYHBNJVYGS-TZMCWYRMSA-N 2 2 261.325 1.779 20 5 CDBDLP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CC[NH2+]C1)CCC2 ZINC000423220401 275038523 /nfs/dbraw/zinc/03/85/23/275038523.db2.gz XSFHCROCVRIZQD-SMDDNHRTSA-N 2 2 261.325 1.924 20 5 CDBDLP C[N@H+](CC[NH3+])CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000420386573 536368805 /nfs/dbraw/zinc/36/88/05/536368805.db2.gz VBAJYFMWGLMJCE-UHFFFAOYSA-N 2 2 290.323 1.683 20 5 CDBDLP C[N@@H+](CC[NH3+])CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000420386573 536368806 /nfs/dbraw/zinc/36/88/06/536368806.db2.gz VBAJYFMWGLMJCE-UHFFFAOYSA-N 2 2 290.323 1.683 20 5 CDBDLP O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCCn2cc[nH+]c2)c1 ZINC000749647539 576956659 /nfs/dbraw/zinc/95/66/59/576956659.db2.gz NRSQJZXDAWJTKK-CQSZACIVSA-N 2 2 290.323 1.505 20 5 CDBDLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1cccnc1[N+](=O)[O-])C2 ZINC000886839964 696195067 /nfs/dbraw/zinc/19/50/67/696195067.db2.gz PSWPGVSGRCXNIG-JSGCOSHPSA-N 2 2 276.340 1.551 20 5 CDBDLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1cccnc1[N+](=O)[O-])C2 ZINC000886839964 696195069 /nfs/dbraw/zinc/19/50/69/696195069.db2.gz PSWPGVSGRCXNIG-JSGCOSHPSA-N 2 2 276.340 1.551 20 5 CDBDLP C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H](C[NH3+])C1CC1 ZINC000923359147 724172456 /nfs/dbraw/zinc/17/24/56/724172456.db2.gz OBOFEXRTUUUQBU-ZIAGYGMSSA-N 2 2 279.340 1.297 20 5 CDBDLP C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H](C[NH3+])C1CC1 ZINC000923359147 724172463 /nfs/dbraw/zinc/17/24/63/724172463.db2.gz OBOFEXRTUUUQBU-ZIAGYGMSSA-N 2 2 279.340 1.297 20 5 CDBDLP O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@H]1C[NH2+]CC13CC3)C2 ZINC001246127887 947974474 /nfs/dbraw/zinc/97/44/74/947974474.db2.gz CKLMLFHWAGFFLB-JSGCOSHPSA-N 2 2 273.336 1.404 20 5 CDBDLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001335338485 959725313 /nfs/dbraw/zinc/72/53/13/959725313.db2.gz SSVGQGKHSQEOHD-HUUCEWRRSA-N 2 2 293.367 1.702 20 5 CDBDLP CC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001335338485 959725320 /nfs/dbraw/zinc/72/53/20/959725320.db2.gz SSVGQGKHSQEOHD-HUUCEWRRSA-N 2 2 293.367 1.702 20 5 CDBDLP Cn1cc[nH+]c1C[C@@H]([NH2+]CC[N+](=O)[O-])c1ccccc1 ZINC001336736721 960520428 /nfs/dbraw/zinc/52/04/28/960520428.db2.gz MQNPCRYGKNSUQY-CYBMUJFWSA-N 2 2 274.324 1.570 20 5 CDBDLP Cc1noc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000595344352 343043765 /nfs/dbraw/zinc/04/37/65/343043765.db2.gz CKASDRBKUICNJG-VXGBXAGGSA-N 2 2 294.355 1.807 20 5 CDBDLP Cc1noc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000595344352 343043766 /nfs/dbraw/zinc/04/37/66/343043766.db2.gz CKASDRBKUICNJG-VXGBXAGGSA-N 2 2 294.355 1.807 20 5 CDBDLP Cc1noc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1[N+](=O)[O-] ZINC000595344352 343043768 /nfs/dbraw/zinc/04/37/68/343043768.db2.gz CKASDRBKUICNJG-VXGBXAGGSA-N 2 2 294.355 1.807 20 5 CDBDLP Cc1noc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1[N+](=O)[O-] ZINC000595344352 343043769 /nfs/dbraw/zinc/04/37/69/343043769.db2.gz CKASDRBKUICNJG-VXGBXAGGSA-N 2 2 294.355 1.807 20 5 CDBDLP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000603432409 344803710 /nfs/dbraw/zinc/80/37/10/344803710.db2.gz IFMGGUJGVBRMMV-VXGBXAGGSA-N 2 2 267.304 1.949 20 5 CDBDLP COc1cc(C[NH2+]C[C@@H](C)C[NH+](C)C)c([N+](=O)[O-])cc1O ZINC000291664717 198055790 /nfs/dbraw/zinc/05/57/90/198055790.db2.gz FMUUWIFFEABQIH-SNVBAGLBSA-N 2 2 297.355 1.596 20 5 CDBDLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000420382716 244179812 /nfs/dbraw/zinc/17/98/12/244179812.db2.gz ZYCRCCMGEYHTSG-XUJVJEKNSA-N 2 2 293.367 1.950 20 5 CDBDLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000351865645 370447109 /nfs/dbraw/zinc/44/71/09/370447109.db2.gz ODEPWRMEOUVQMW-UWVGGRQHSA-N 2 2 290.323 1.905 20 5 CDBDLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000351865645 370447112 /nfs/dbraw/zinc/44/71/12/370447112.db2.gz ODEPWRMEOUVQMW-UWVGGRQHSA-N 2 2 290.323 1.905 20 5 CDBDLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000423506509 374386695 /nfs/dbraw/zinc/38/66/95/374386695.db2.gz HATZEQORPVVGGR-FZMZJTMJSA-N 2 2 279.340 1.624 20 5 CDBDLP Cc1ccc(C[N@@H+]2CCCO[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000415118211 391259918 /nfs/dbraw/zinc/25/99/18/391259918.db2.gz XTQZCCJVMCBWSG-ZDUSSCGKSA-N 2 2 279.340 1.453 20 5 CDBDLP Cc1ccc(C[N@H+]2CCCO[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000415118211 391259920 /nfs/dbraw/zinc/25/99/20/391259920.db2.gz XTQZCCJVMCBWSG-ZDUSSCGKSA-N 2 2 279.340 1.453 20 5 CDBDLP CCC[N@H+](C)C[C@H]1CC[NH+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000176273701 148035190 /nfs/dbraw/zinc/03/51/90/148035190.db2.gz VVNIUCGNOJHKGU-CYBMUJFWSA-N 2 2 295.387 1.455 20 5 CDBDLP CCC[N@@H+](C)C[C@H]1CC[NH+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000176273701 148035195 /nfs/dbraw/zinc/03/51/95/148035195.db2.gz VVNIUCGNOJHKGU-CYBMUJFWSA-N 2 2 295.387 1.455 20 5 CDBDLP CCC[NH+](C)C[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000176273701 148035198 /nfs/dbraw/zinc/03/51/98/148035198.db2.gz VVNIUCGNOJHKGU-CYBMUJFWSA-N 2 2 295.387 1.455 20 5 CDBDLP CCC[NH+](C)C[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000176273701 148035205 /nfs/dbraw/zinc/03/52/05/148035205.db2.gz VVNIUCGNOJHKGU-CYBMUJFWSA-N 2 2 295.387 1.455 20 5 CDBDLP Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000352503656 155232549 /nfs/dbraw/zinc/23/25/49/155232549.db2.gz IPRWEXBMBXJXOG-JTQLQIEISA-N 2 2 267.333 1.032 20 5 CDBDLP Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000352503656 155232553 /nfs/dbraw/zinc/23/25/53/155232553.db2.gz IPRWEXBMBXJXOG-JTQLQIEISA-N 2 2 267.333 1.032 20 5 CDBDLP Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(c2c[nH+]c[nH]2)CC1 ZINC000374211296 160264730 /nfs/dbraw/zinc/26/47/30/160264730.db2.gz ZMEKIVKTNBMBKO-UHFFFAOYSA-N 2 2 290.327 1.431 20 5 CDBDLP [NH3+]C[C@H]1CCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000044530336 175194812 /nfs/dbraw/zinc/19/48/12/175194812.db2.gz AJWNJAUZBJKIKX-SNVBAGLBSA-N 2 2 267.304 1.905 20 5 CDBDLP [NH3+]C[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000044530336 175194813 /nfs/dbraw/zinc/19/48/13/175194813.db2.gz AJWNJAUZBJKIKX-SNVBAGLBSA-N 2 2 267.304 1.905 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227072568 525456835 /nfs/dbraw/zinc/45/68/35/525456835.db2.gz DUGUGXXPLFHUOJ-GXFFZTMASA-N 2 2 279.340 1.773 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227072568 525456840 /nfs/dbraw/zinc/45/68/40/525456840.db2.gz DUGUGXXPLFHUOJ-GXFFZTMASA-N 2 2 279.340 1.773 20 5 CDBDLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000783675091 937278172 /nfs/dbraw/zinc/27/81/72/937278172.db2.gz UXAYIEMPBYTBMQ-CYBMUJFWSA-N 2 2 299.758 1.404 20 5 CDBDLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000783675091 937278175 /nfs/dbraw/zinc/27/81/75/937278175.db2.gz UXAYIEMPBYTBMQ-CYBMUJFWSA-N 2 2 299.758 1.404 20 5 CDBDLP C[NH2+]C[C@@H](C)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000596104590 343228143 /nfs/dbraw/zinc/22/81/43/343228143.db2.gz GVGAIMIQPIWVPU-SECBINFHSA-N 2 2 253.302 1.301 20 5 CDBDLP COc1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000107578065 342396719 /nfs/dbraw/zinc/39/67/19/342396719.db2.gz SJRMGDCRIVSVOY-RYUDHWBXSA-N 2 2 277.324 1.255 20 5 CDBDLP CC1([NH2+]Cc2csc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000414947194 370960109 /nfs/dbraw/zinc/96/01/09/370960109.db2.gz VNGFTZMRNLZJSU-UHFFFAOYSA-N 2 2 255.343 1.888 20 5 CDBDLP CCC[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000154319183 374695805 /nfs/dbraw/zinc/69/58/05/374695805.db2.gz QNUSOKKMVAHSME-HUUCEWRRSA-N 2 2 295.383 1.948 20 5 CDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@H](C)C[NH3+] ZINC000430936102 393105679 /nfs/dbraw/zinc/10/56/79/393105679.db2.gz XDJTZORIZFCUMU-NSHDSACASA-N 2 2 294.355 1.511 20 5 CDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@@H](C)C[NH3+] ZINC000430936102 393105682 /nfs/dbraw/zinc/10/56/82/393105682.db2.gz XDJTZORIZFCUMU-NSHDSACASA-N 2 2 294.355 1.511 20 5 CDBDLP [NH3+]C[C@@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000044528027 175193013 /nfs/dbraw/zinc/19/30/13/175193013.db2.gz SHAVINQOYJKDPS-VIFPVBQESA-N 2 2 255.343 1.827 20 5 CDBDLP [NH3+]C[C@@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000044528027 175193014 /nfs/dbraw/zinc/19/30/14/175193014.db2.gz SHAVINQOYJKDPS-VIFPVBQESA-N 2 2 255.343 1.827 20 5 CDBDLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000579490175 324202836 /nfs/dbraw/zinc/20/28/36/324202836.db2.gz PMZHJRLVKZHUGO-FZMZJTMJSA-N 2 2 281.356 1.558 20 5 CDBDLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000579490175 324202838 /nfs/dbraw/zinc/20/28/38/324202838.db2.gz PMZHJRLVKZHUGO-FZMZJTMJSA-N 2 2 281.356 1.558 20 5 CDBDLP Cc1c(F)cc([N+](=O)[O-])cc1NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001168746118 922019004 /nfs/dbraw/zinc/01/90/04/922019004.db2.gz CPZPAXYEGYUTTD-UHFFFAOYSA-N 2 2 295.318 1.636 20 5 CDBDLP O=[N+]([O-])c1cc(F)cnc1-n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001155054280 937628051 /nfs/dbraw/zinc/62/80/51/937628051.db2.gz WGOWKIDHPZEIBI-UHFFFAOYSA-N 2 2 291.286 1.782 20 5 CDBDLP [NH3+][C@@]12CCC[C@@H]1C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C2 ZINC000598682042 343864480 /nfs/dbraw/zinc/86/44/80/343864480.db2.gz KXTCYEBMRPEAFI-IUODEOHRSA-N 2 2 291.351 1.787 20 5 CDBDLP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C2 ZINC000598682042 343864484 /nfs/dbraw/zinc/86/44/84/343864484.db2.gz KXTCYEBMRPEAFI-IUODEOHRSA-N 2 2 291.351 1.787 20 5 CDBDLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000420367730 244153874 /nfs/dbraw/zinc/15/38/74/244153874.db2.gz NFRWCJKKTDCKEY-XUJVJEKNSA-N 2 2 293.367 1.950 20 5 CDBDLP COc1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)cc1[N+](=O)[O-] ZINC000414932450 371143770 /nfs/dbraw/zinc/14/37/70/371143770.db2.gz RCTLLKLNXZZWMO-ZYHUDNBSSA-N 2 2 279.340 1.691 20 5 CDBDLP Cc1c([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCCO2)cccc1[N+](=O)[O-] ZINC000423504518 374384916 /nfs/dbraw/zinc/38/49/16/374384916.db2.gz GDBHYZJTSMUAIA-OLZOCXBDSA-N 2 2 293.367 1.932 20 5 CDBDLP Cc1ccc([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCCO2)cc1[N+](=O)[O-] ZINC000423511229 374387404 /nfs/dbraw/zinc/38/74/04/374387404.db2.gz KDHPCUKDRRLSHG-TZMCWYRMSA-N 2 2 293.367 1.932 20 5 CDBDLP C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000305150279 375559501 /nfs/dbraw/zinc/55/95/01/375559501.db2.gz TWQHZTYIROBAAP-MFKMUULPSA-N 2 2 267.329 1.168 20 5 CDBDLP C[NH2+]C1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000430922370 390942558 /nfs/dbraw/zinc/94/25/58/390942558.db2.gz ZWGMXFVGRHIJGB-UHFFFAOYSA-N 2 2 279.340 1.657 20 5 CDBDLP C[C@@H]([NH3+])C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000442664145 392444275 /nfs/dbraw/zinc/44/42/75/392444275.db2.gz VSJHAYKWYIJKCJ-LLVKDONJSA-N 2 2 279.340 1.785 20 5 CDBDLP C[C@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[C@H]1[NH3+] ZINC000430946806 393107840 /nfs/dbraw/zinc/10/78/40/393107840.db2.gz YBXPLCXQMPVOFD-GXSJLCMTSA-N 2 2 290.323 1.905 20 5 CDBDLP C[C@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[C@H]1[NH3+] ZINC000430946806 393107845 /nfs/dbraw/zinc/10/78/45/393107845.db2.gz YBXPLCXQMPVOFD-GXSJLCMTSA-N 2 2 290.323 1.905 20 5 CDBDLP C[NH2+]CC[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000423226489 397602911 /nfs/dbraw/zinc/60/29/11/397602911.db2.gz QWPYSZUVPANFCF-JTQLQIEISA-N 2 2 280.328 1.121 20 5 CDBDLP COCC[C@H]([NH3+])C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001579004175 1172078380 /nfs/dbraw/zinc/07/83/80/1172078380.db2.gz RHDJUCYBCDEEGA-PWSUYJOCSA-N 2 2 267.329 1.609 20 5 CDBDLP O=[N+]([O-])c1ccc(CCCC[NH2+][C@H]2C[NH2+]CCOC2)cc1 ZINC000925569945 730463246 /nfs/dbraw/zinc/46/32/46/730463246.db2.gz BPVVKPAWQMAQRN-AWEZNQCLSA-N 2 2 293.367 1.496 20 5 CDBDLP O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC001168996580 927603111 /nfs/dbraw/zinc/60/31/11/927603111.db2.gz WHYYEUHEHSRWQM-RDBSUJKOSA-N 2 2 267.373 1.506 20 5 CDBDLP O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC001168996580 927603116 /nfs/dbraw/zinc/60/31/16/927603116.db2.gz WHYYEUHEHSRWQM-RDBSUJKOSA-N 2 2 267.373 1.506 20 5 CDBDLP O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC(n3cc[nH+]c3)CC2)C1 ZINC001169037108 927646616 /nfs/dbraw/zinc/64/66/16/927646616.db2.gz IYSBJBZEUVRDCM-TZMCWYRMSA-N 2 2 278.356 1.965 20 5 CDBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[NH2+]CC12CC2 ZINC001246132140 947977988 /nfs/dbraw/zinc/97/79/88/947977988.db2.gz LCTKVBPICAKUIG-SMDDNHRTSA-N 2 2 275.352 1.867 20 5 CDBDLP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CCC[NH3+] ZINC000592473633 342698594 /nfs/dbraw/zinc/69/85/94/342698594.db2.gz KMSQGQCMSVCABN-JTQLQIEISA-N 2 2 280.328 1.202 20 5 CDBDLP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)CCC[NH3+] ZINC000592473633 342698596 /nfs/dbraw/zinc/69/85/96/342698596.db2.gz KMSQGQCMSVCABN-JTQLQIEISA-N 2 2 280.328 1.202 20 5 CDBDLP COCC[NH2+]CC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000414880479 370965643 /nfs/dbraw/zinc/96/56/43/370965643.db2.gz JCCCKYQMQHFUOI-GQCTYLIASA-N 2 2 279.340 1.434 20 5 CDBDLP C[NH2+]CC[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000414822377 370443467 /nfs/dbraw/zinc/44/34/67/370443467.db2.gz GIJSLUNLLUYFCO-JTQLQIEISA-N 2 2 280.328 1.121 20 5 CDBDLP C[C@@H](C[NH3+])[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000414937640 371144637 /nfs/dbraw/zinc/14/46/37/371144637.db2.gz DKHVHJZRKMNJIV-JTQLQIEISA-N 2 2 289.339 1.432 20 5 CDBDLP CN1CC[NH2+]C[C@@H]1C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000414971850 371128896 /nfs/dbraw/zinc/12/88/96/371128896.db2.gz WXDVRRHDOKNZFC-YVZNUBBCSA-N 2 2 290.367 1.101 20 5 CDBDLP Cc1ccc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000228726727 375799527 /nfs/dbraw/zinc/79/95/27/375799527.db2.gz QFNRHTLSWLWILB-CQSZACIVSA-N 2 2 281.356 1.305 20 5 CDBDLP O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2C[NH2+]CCO2)c(Cl)c1 ZINC000415093416 391017007 /nfs/dbraw/zinc/01/70/07/391017007.db2.gz IGFRXJFMJOGDCK-LLVKDONJSA-N 2 2 285.731 1.326 20 5 CDBDLP O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000415046914 263257994 /nfs/dbraw/zinc/25/79/94/263257994.db2.gz XXYYMESFLZRBES-IAZYJMLFSA-N 2 2 299.277 1.504 20 5 CDBDLP O=[N+]([O-])c1cnn(CC[N@@H+]2CC[NH2+]CCC23CCC3)c1 ZINC000883459383 734775807 /nfs/dbraw/zinc/77/58/07/734775807.db2.gz VHFGFHSSAWJEJJ-UHFFFAOYSA-N 2 2 279.344 1.009 20 5 CDBDLP O=[N+]([O-])c1cnn(CC[N@H+]2CC[NH2+]CCC23CCC3)c1 ZINC000883459383 734775812 /nfs/dbraw/zinc/77/58/12/734775812.db2.gz VHFGFHSSAWJEJJ-UHFFFAOYSA-N 2 2 279.344 1.009 20 5 CDBDLP Cc1nn(C[NH+]2CCC(C[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000779865822 735068616 /nfs/dbraw/zinc/06/86/16/735068616.db2.gz RAIRNNOLBGHSFC-UHFFFAOYSA-N 2 2 281.360 1.331 20 5 CDBDLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168996012 927602914 /nfs/dbraw/zinc/60/29/14/927602914.db2.gz TZVQSASFVHENIF-MJBXVCDLSA-N 2 2 269.389 1.752 20 5 CDBDLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168996012 927602921 /nfs/dbraw/zinc/60/29/21/927602921.db2.gz TZVQSASFVHENIF-MJBXVCDLSA-N 2 2 269.389 1.752 20 5 CDBDLP O=[N+]([O-])C[C@@H]1CC[C@@H](n2cc[nH+]c2[C@@H]2CCC[NH2+]C2)C1 ZINC001169036004 927644573 /nfs/dbraw/zinc/64/45/73/927644573.db2.gz FAJRFFBOEVWIDS-JHJVBQTASA-N 2 2 278.356 1.968 20 5 CDBDLP C[C@@H]1C[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@H]1[NH3+] ZINC001246561236 948273160 /nfs/dbraw/zinc/27/31/60/948273160.db2.gz JOEFDXFLPZMIQR-OWYVNGRQSA-N 2 2 261.325 1.341 20 5 CDBDLP C[C@@H]1C[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@H]1[NH3+] ZINC001246561236 948273169 /nfs/dbraw/zinc/27/31/69/948273169.db2.gz JOEFDXFLPZMIQR-OWYVNGRQSA-N 2 2 261.325 1.341 20 5 CDBDLP [NH3+]C[C@]1(F)CCCC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001246572797 948295749 /nfs/dbraw/zinc/29/57/49/948295749.db2.gz BIGDWEADDUWPAJ-JHJVBQTASA-N 2 2 273.352 1.585 20 5 CDBDLP [NH3+]C[C@]1(F)CCCC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001246572797 948295758 /nfs/dbraw/zinc/29/57/58/948295758.db2.gz BIGDWEADDUWPAJ-JHJVBQTASA-N 2 2 273.352 1.585 20 5 CDBDLP O=[N+]([O-])CC[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001308086946 956465356 /nfs/dbraw/zinc/46/53/56/956465356.db2.gz KOQXCOQNWONACQ-CVEARBPZSA-N 2 2 289.379 1.717 20 5 CDBDLP O=[N+]([O-])CC[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001308086946 956465366 /nfs/dbraw/zinc/46/53/66/956465366.db2.gz KOQXCOQNWONACQ-CVEARBPZSA-N 2 2 289.379 1.717 20 5 CDBDLP O=[N+]([O-])CC[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001308086946 956465376 /nfs/dbraw/zinc/46/53/76/956465376.db2.gz KOQXCOQNWONACQ-CVEARBPZSA-N 2 2 289.379 1.717 20 5 CDBDLP O=[N+]([O-])CC[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001308086946 956465387 /nfs/dbraw/zinc/46/53/87/956465387.db2.gz KOQXCOQNWONACQ-CVEARBPZSA-N 2 2 289.379 1.717 20 5 CDBDLP Cc1ccc(C[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)cc1[N+](=O)[O-] ZINC000591281653 342624370 /nfs/dbraw/zinc/62/43/70/342624370.db2.gz IUPMYCYFDJAXMW-RYUDHWBXSA-N 2 2 267.304 1.693 20 5 CDBDLP Cc1ccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000593903290 342853895 /nfs/dbraw/zinc/85/38/95/342853895.db2.gz XPJINWYBBPKZBH-NSHDSACASA-N 2 2 280.328 1.121 20 5 CDBDLP COc1cc([N+](=O)[O-])ccc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000619531103 349793168 /nfs/dbraw/zinc/79/31/68/349793168.db2.gz BPUOMCPFEQJRGU-RYUDHWBXSA-N 2 2 277.324 1.255 20 5 CDBDLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCn1cc([N+](=O)[O-])cn1)C2 ZINC000595503695 343079165 /nfs/dbraw/zinc/07/91/65/343079165.db2.gz AGGCBDHNQBFOBG-CQSZACIVSA-N 2 2 293.371 1.209 20 5 CDBDLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCn1cc([N+](=O)[O-])cn1)C2 ZINC000595503695 343079167 /nfs/dbraw/zinc/07/91/67/343079167.db2.gz AGGCBDHNQBFOBG-CQSZACIVSA-N 2 2 293.371 1.209 20 5 CDBDLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCn1cc([N+](=O)[O-])cn1)C2 ZINC000595503695 343079170 /nfs/dbraw/zinc/07/91/70/343079170.db2.gz AGGCBDHNQBFOBG-CQSZACIVSA-N 2 2 293.371 1.209 20 5 CDBDLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCn1cc([N+](=O)[O-])cn1)C2 ZINC000595503695 343079173 /nfs/dbraw/zinc/07/91/73/343079173.db2.gz AGGCBDHNQBFOBG-CQSZACIVSA-N 2 2 293.371 1.209 20 5 CDBDLP C[NH2+]C[C@H](C)[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000596652803 343371842 /nfs/dbraw/zinc/37/18/42/343371842.db2.gz IBVMNMGAKCHAMO-MNOVXSKESA-N 2 2 294.355 1.509 20 5 CDBDLP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566476202 357821383 /nfs/dbraw/zinc/82/13/83/357821383.db2.gz UMPXVMYAOGAFKA-ZWNOBZJWSA-N 2 2 279.340 1.094 20 5 CDBDLP C[NH+](C)C[C@@H](O)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566476195 357821508 /nfs/dbraw/zinc/82/15/08/357821508.db2.gz UMPXVMYAOGAFKA-GWCFXTLKSA-N 2 2 279.340 1.094 20 5 CDBDLP C[C@@H]1C[C@@H](C)[N@H+](Cc2c([N+](=O)[O-])ncn2C)C[C@H]1C[NH3+] ZINC000422636993 374354732 /nfs/dbraw/zinc/35/47/32/374354732.db2.gz NYZDSKQOGDVQID-GMTAPVOTSA-N 2 2 281.360 1.134 20 5 CDBDLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C[C@H]1C[NH3+] ZINC000422636993 374354737 /nfs/dbraw/zinc/35/47/37/374354737.db2.gz NYZDSKQOGDVQID-GMTAPVOTSA-N 2 2 281.360 1.134 20 5 CDBDLP COc1ccc(C[NH2+]C[C@](C)(O)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000228725898 375800031 /nfs/dbraw/zinc/80/00/31/375800031.db2.gz MZLQGTUACAESIJ-AWEZNQCLSA-N 2 2 297.355 1.006 20 5 CDBDLP COCC[NH2+]CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423311268 392960430 /nfs/dbraw/zinc/96/04/30/392960430.db2.gz BPUJVLUWZDPXQI-LLVKDONJSA-N 2 2 267.329 1.481 20 5 CDBDLP COCC[NH2+]CC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423331670 392961695 /nfs/dbraw/zinc/96/16/95/392961695.db2.gz MTTUFMUFABNKAU-GFCCVEGCSA-N 2 2 281.356 1.351 20 5 CDBDLP C[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1ccc([N+](=O)[O-])cc1 ZINC000068802079 393057450 /nfs/dbraw/zinc/05/74/50/393057450.db2.gz DNBZWBQBXXUICB-WFASDCNBSA-N 2 2 292.383 1.491 20 5 CDBDLP C[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1ccc([N+](=O)[O-])cc1 ZINC000068802079 393057455 /nfs/dbraw/zinc/05/74/55/393057455.db2.gz DNBZWBQBXXUICB-WFASDCNBSA-N 2 2 292.383 1.491 20 5 CDBDLP COc1ccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000261600235 140361631 /nfs/dbraw/zinc/36/16/31/140361631.db2.gz BMDHLXPAFJDGTG-OAHLLOKOSA-N 2 2 291.351 1.789 20 5 CDBDLP COc1ccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000261600235 140361632 /nfs/dbraw/zinc/36/16/32/140361632.db2.gz BMDHLXPAFJDGTG-OAHLLOKOSA-N 2 2 291.351 1.789 20 5 CDBDLP C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](C[NH3+])C1CC1 ZINC000923359143 737060457 /nfs/dbraw/zinc/06/04/57/737060457.db2.gz OBOFEXRTUUUQBU-KBPBESRZSA-N 2 2 279.340 1.297 20 5 CDBDLP C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](C[NH3+])C1CC1 ZINC000923359143 737060463 /nfs/dbraw/zinc/06/04/63/737060463.db2.gz OBOFEXRTUUUQBU-KBPBESRZSA-N 2 2 279.340 1.297 20 5 CDBDLP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H]([NH3+])C1 ZINC001173217756 912301448 /nfs/dbraw/zinc/30/14/48/912301448.db2.gz LXFOXTJBZRIUBQ-YPMHNXCESA-N 2 2 263.341 1.949 20 5 CDBDLP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H]([NH3+])C1 ZINC001173217756 912301467 /nfs/dbraw/zinc/30/14/67/912301467.db2.gz LXFOXTJBZRIUBQ-YPMHNXCESA-N 2 2 263.341 1.949 20 5 CDBDLP C[NH+](C)C1(CNc2cc([N+](=O)[O-])ccn2)CC[NH+](C)CC1 ZINC001156177074 938329156 /nfs/dbraw/zinc/32/91/56/938329156.db2.gz ZMUYLFWTABAFTK-UHFFFAOYSA-N 2 2 293.371 1.428 20 5 CDBDLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001246537266 948240146 /nfs/dbraw/zinc/24/01/46/948240146.db2.gz HJBMSJRZDJRGOJ-LKTVYLICSA-N 2 2 275.352 1.874 20 5 CDBDLP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001246537266 948240153 /nfs/dbraw/zinc/24/01/53/948240153.db2.gz HJBMSJRZDJRGOJ-LKTVYLICSA-N 2 2 275.352 1.874 20 5 CDBDLP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246655350 948390356 /nfs/dbraw/zinc/39/03/56/948390356.db2.gz KZXCBZKTCHHUOC-OSAQELSMSA-N 2 2 275.352 1.949 20 5 CDBDLP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246655350 948390362 /nfs/dbraw/zinc/39/03/62/948390362.db2.gz KZXCBZKTCHHUOC-OSAQELSMSA-N 2 2 275.352 1.949 20 5 CDBDLP O=[N+]([O-])CC[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC001354591262 968787390 /nfs/dbraw/zinc/78/73/90/968787390.db2.gz OQWPOOCGBWKYEF-UHFFFAOYSA-N 2 2 266.345 1.652 20 5 CDBDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000565432174 365646318 /nfs/dbraw/zinc/64/63/18/365646318.db2.gz YRERKHFQWLQPPV-JTQLQIEISA-N 2 2 290.327 1.051 20 5 CDBDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000565432174 365646320 /nfs/dbraw/zinc/64/63/20/365646320.db2.gz YRERKHFQWLQPPV-JTQLQIEISA-N 2 2 290.327 1.051 20 5 CDBDLP C[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000591581767 342637941 /nfs/dbraw/zinc/63/79/41/342637941.db2.gz RFQDEZWRLVZKKZ-USWWRNFRSA-N 2 2 267.304 1.945 20 5 CDBDLP CC1([NH3+])CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000592485054 342695704 /nfs/dbraw/zinc/69/57/04/342695704.db2.gz PJSCLZWMMMYBSQ-UHFFFAOYSA-N 2 2 292.339 1.007 20 5 CDBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H](O)C[NH+](C)C ZINC000595019572 342995953 /nfs/dbraw/zinc/99/59/53/342995953.db2.gz RJUUKHFFNICSER-JQWIXIFHSA-N 2 2 297.355 1.177 20 5 CDBDLP CC(C)([NH3+])C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000262028185 359124189 /nfs/dbraw/zinc/12/41/89/359124189.db2.gz WXHTXCYGLYETGS-UHFFFAOYSA-N 2 2 267.333 1.166 20 5 CDBDLP C[N@H+](CCN1CC[NH2+]CC1)Cc1ccc([N+](=O)[O-])cc1F ZINC000314110840 359158233 /nfs/dbraw/zinc/15/82/33/359158233.db2.gz FWPLNPIWTBTRSM-UHFFFAOYSA-N 2 2 296.346 1.071 20 5 CDBDLP C[N@@H+](CCN1CC[NH2+]CC1)Cc1ccc([N+](=O)[O-])cc1F ZINC000314110840 359158235 /nfs/dbraw/zinc/15/82/35/359158235.db2.gz FWPLNPIWTBTRSM-UHFFFAOYSA-N 2 2 296.346 1.071 20 5 CDBDLP C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000296805460 200003426 /nfs/dbraw/zinc/00/34/26/200003426.db2.gz UNCXPERCFIYRMI-XHDPSFHLSA-N 2 2 293.367 1.701 20 5 CDBDLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000296805460 200003428 /nfs/dbraw/zinc/00/34/28/200003428.db2.gz UNCXPERCFIYRMI-XHDPSFHLSA-N 2 2 293.367 1.701 20 5 CDBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)C1CC([NH3+])C1 ZINC000414783328 241384220 /nfs/dbraw/zinc/38/42/20/241384220.db2.gz YUVPQRPKETXVPP-UHFFFAOYSA-N 2 2 279.340 1.915 20 5 CDBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C1CC([NH3+])C1 ZINC000414783328 241384223 /nfs/dbraw/zinc/38/42/23/241384223.db2.gz YUVPQRPKETXVPP-UHFFFAOYSA-N 2 2 279.340 1.915 20 5 CDBDLP COc1ccc(C[NH2+][C@@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000414801238 241396590 /nfs/dbraw/zinc/39/65/90/241396590.db2.gz LSDMHJWKMVIQOS-NSHDSACASA-N 2 2 265.313 1.430 20 5 CDBDLP C[C@H](C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)[NH+](C)C ZINC000447538335 250384218 /nfs/dbraw/zinc/38/42/18/250384218.db2.gz BDYVOEKMMHEUQY-JHJVBQTASA-N 2 2 295.387 1.815 20 5 CDBDLP C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CC[C@H]1[NH3+] ZINC000261575802 140353229 /nfs/dbraw/zinc/35/32/29/140353229.db2.gz BTQICWUOBJQIEB-TVQRCGJNSA-N 2 2 267.304 1.903 20 5 CDBDLP C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CC[C@H]1[NH3+] ZINC000261575802 140353230 /nfs/dbraw/zinc/35/32/30/140353230.db2.gz BTQICWUOBJQIEB-TVQRCGJNSA-N 2 2 267.304 1.903 20 5 CDBDLP O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000261586035 140356577 /nfs/dbraw/zinc/35/65/77/140356577.db2.gz IQWNLAXWFIJELW-OLZOCXBDSA-N 2 2 261.325 1.636 20 5 CDBDLP O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000261586035 140356578 /nfs/dbraw/zinc/35/65/78/140356578.db2.gz IQWNLAXWFIJELW-OLZOCXBDSA-N 2 2 261.325 1.636 20 5 CDBDLP Cc1ccc(C[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000068803192 524580281 /nfs/dbraw/zinc/58/02/81/524580281.db2.gz BSUTYJSGTIZSIZ-CQSZACIVSA-N 2 2 292.383 1.239 20 5 CDBDLP Cc1ccc(C[NH2+]C[C@@H]2C[N@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000068803192 524580289 /nfs/dbraw/zinc/58/02/89/524580289.db2.gz BSUTYJSGTIZSIZ-CQSZACIVSA-N 2 2 292.383 1.239 20 5 CDBDLP O=[N+]([O-])c1cccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)c1 ZINC000051634363 527386665 /nfs/dbraw/zinc/38/66/65/527386665.db2.gz UXRAOCCISTXRMC-CQSZACIVSA-N 2 2 279.340 1.141 20 5 CDBDLP O=[N+]([O-])CC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000899856504 622492038 /nfs/dbraw/zinc/49/20/38/622492038.db2.gz VBWZSUKQJUECJC-UHFFFAOYSA-N 2 2 263.341 1.517 20 5 CDBDLP C[N@@H+]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)[C@@H](C[NH3+])C1 ZINC000843121037 739854352 /nfs/dbraw/zinc/85/43/52/739854352.db2.gz YXDRLVPYVIVFMJ-LBPRGKRZSA-N 2 2 298.774 1.323 20 5 CDBDLP C[N@H+]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)[C@@H](C[NH3+])C1 ZINC000843121037 739854353 /nfs/dbraw/zinc/85/43/53/739854353.db2.gz YXDRLVPYVIVFMJ-LBPRGKRZSA-N 2 2 298.774 1.323 20 5 CDBDLP O=[N+]([O-])c1ccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1Cl ZINC000841078971 741974010 /nfs/dbraw/zinc/97/40/10/741974010.db2.gz GFQCWNFCMZUFPM-GDGBQDQQSA-N 2 2 267.716 1.556 20 5 CDBDLP O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@@H+](C3CCOCC3)C2)C1 ZINC001168991227 927629279 /nfs/dbraw/zinc/62/92/79/927629279.db2.gz FYJNJCYDUYQDGL-MCIONIFRSA-N 2 2 297.399 1.275 20 5 CDBDLP O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@H+](C3CCOCC3)C2)C1 ZINC001168991227 927629289 /nfs/dbraw/zinc/62/92/89/927629289.db2.gz FYJNJCYDUYQDGL-MCIONIFRSA-N 2 2 297.399 1.275 20 5 CDBDLP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[NH2+]CC1 ZINC001246530296 948232858 /nfs/dbraw/zinc/23/28/58/948232858.db2.gz WMFQOOVWPLTVGH-GFCCVEGCSA-N 2 2 263.341 1.821 20 5 CDBDLP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[NH2+]CC1 ZINC001246530296 948232870 /nfs/dbraw/zinc/23/28/70/948232870.db2.gz WMFQOOVWPLTVGH-GFCCVEGCSA-N 2 2 263.341 1.821 20 5 CDBDLP CC[C@@H]([NH3+])C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000591281312 342624082 /nfs/dbraw/zinc/62/40/82/342624082.db2.gz KIMOEOYBAIGLFV-SNVBAGLBSA-N 2 2 281.312 1.193 20 5 CDBDLP CC[N@H+](CC[NH3+])CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000600717272 342244308 /nfs/dbraw/zinc/24/43/08/342244308.db2.gz PTXUYJCBCMJCQL-UHFFFAOYSA-N 2 2 280.328 1.204 20 5 CDBDLP CC[N@@H+](CC[NH3+])CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000600717272 342244309 /nfs/dbraw/zinc/24/43/09/342244309.db2.gz PTXUYJCBCMJCQL-UHFFFAOYSA-N 2 2 280.328 1.204 20 5 CDBDLP O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000602625045 344501488 /nfs/dbraw/zinc/50/14/88/344501488.db2.gz WTSCNZYJZTYTQF-ZDUSSCGKSA-N 2 2 286.335 1.938 20 5 CDBDLP Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)CCCn1cc[nH+]c1 ZINC000602797149 344587995 /nfs/dbraw/zinc/58/79/95/344587995.db2.gz HBIFRBQTOTWSGT-UHFFFAOYSA-N 2 2 292.343 1.318 20 5 CDBDLP Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)CCCn1cc[nH+]c1 ZINC000602797149 344587999 /nfs/dbraw/zinc/58/79/99/344587999.db2.gz HBIFRBQTOTWSGT-UHFFFAOYSA-N 2 2 292.343 1.318 20 5 CDBDLP CC1(C)[C@H]([NH2+]Cc2c(F)cccc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000603432941 344803736 /nfs/dbraw/zinc/80/37/36/344803736.db2.gz KVPIDRSJTNJLHZ-NWDGAFQWSA-N 2 2 267.304 1.949 20 5 CDBDLP CN(C)c1[nH+]cc(C[NH2+]Cc2ccccc2[N+](=O)[O-])n1C ZINC000070144032 361634574 /nfs/dbraw/zinc/63/45/74/361634574.db2.gz QVYICTFTKGMSED-UHFFFAOYSA-N 2 2 289.339 1.684 20 5 CDBDLP CN(C)c1[nH+]cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)n1C ZINC000070143595 361634661 /nfs/dbraw/zinc/63/46/61/361634661.db2.gz ROCQLXFDKNDQLX-UHFFFAOYSA-N 2 2 289.339 1.684 20 5 CDBDLP [NH3+]C[C@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])CCCO1 ZINC000420383832 244180953 /nfs/dbraw/zinc/18/09/53/244180953.db2.gz FUBUVCNSEGXGQH-LBPRGKRZSA-N 2 2 295.339 1.023 20 5 CDBDLP [NH3+]C[C@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])CCCO1 ZINC000420383832 244180955 /nfs/dbraw/zinc/18/09/55/244180955.db2.gz FUBUVCNSEGXGQH-LBPRGKRZSA-N 2 2 295.339 1.023 20 5 CDBDLP COc1ccc(C[NH2+]C[C@@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000414893345 369377896 /nfs/dbraw/zinc/37/78/96/369377896.db2.gz KDXVEJVOZBAKLI-LLVKDONJSA-N 2 2 265.313 1.430 20 5 CDBDLP Cc1ccc([C@@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1[N+](=O)[O-] ZINC000423433100 374381156 /nfs/dbraw/zinc/38/11/56/374381156.db2.gz MVQQIHAJLCYOCQ-WUWHUORYSA-N 2 2 261.325 1.772 20 5 CDBDLP Cc1c([C@H](C)[NH2+]C[C@H]2C[NH2+]CCCO2)cccc1[N+](=O)[O-] ZINC000423504521 374386624 /nfs/dbraw/zinc/38/66/24/374386624.db2.gz GDBHYZJTSMUAIA-QWHCGFSZSA-N 2 2 293.367 1.932 20 5 CDBDLP Cc1c([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCCO2)cccc1[N+](=O)[O-] ZINC000423504514 374386724 /nfs/dbraw/zinc/38/67/24/374386724.db2.gz GDBHYZJTSMUAIA-CHWSQXEVSA-N 2 2 293.367 1.932 20 5 CDBDLP Cc1c([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCO2)cccc1[N+](=O)[O-] ZINC000423531724 374388283 /nfs/dbraw/zinc/38/82/83/374388283.db2.gz YOGNKLSCOWBVQP-RYUDHWBXSA-N 2 2 279.340 1.542 20 5 CDBDLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283873493 375126452 /nfs/dbraw/zinc/12/64/52/375126452.db2.gz BWZAWSYRWZMXOT-SNVBAGLBSA-N 2 2 275.312 1.724 20 5 CDBDLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000131551318 375284889 /nfs/dbraw/zinc/28/48/89/375284889.db2.gz DQWWGTQGLLACAN-DTWKUNHWSA-N 2 2 255.343 1.825 20 5 CDBDLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000131551318 375284894 /nfs/dbraw/zinc/28/48/94/375284894.db2.gz DQWWGTQGLLACAN-DTWKUNHWSA-N 2 2 255.343 1.825 20 5 CDBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000423556162 392964458 /nfs/dbraw/zinc/96/44/58/392964458.db2.gz HWBGLODFTJIWCO-AAEUAGOBSA-N 2 2 279.340 1.104 20 5 CDBDLP [NH3+]C[C@@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000430666991 393104454 /nfs/dbraw/zinc/10/44/54/393104454.db2.gz OXSMBVFKOFKRFO-JTQLQIEISA-N 2 2 290.323 1.907 20 5 CDBDLP [NH3+]C[C@@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000430666991 393104461 /nfs/dbraw/zinc/10/44/61/393104461.db2.gz OXSMBVFKOFKRFO-JTQLQIEISA-N 2 2 290.323 1.907 20 5 CDBDLP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CC[NH2+]C1 ZINC000423208350 397602906 /nfs/dbraw/zinc/60/29/06/397602906.db2.gz TVDSOPMRXGGVOP-JQWIXIFHSA-N 2 2 292.339 1.263 20 5 CDBDLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000442786508 274399985 /nfs/dbraw/zinc/39/99/85/274399985.db2.gz ZMQNUVRWEMRGAC-NXEZZACHSA-N 2 2 267.304 1.903 20 5 CDBDLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000442786508 274399986 /nfs/dbraw/zinc/39/99/86/274399986.db2.gz ZMQNUVRWEMRGAC-NXEZZACHSA-N 2 2 267.304 1.903 20 5 CDBDLP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000420369973 535040687 /nfs/dbraw/zinc/04/06/87/535040687.db2.gz VNWYRIBKZHJACV-GFCCVEGCSA-N 2 2 294.355 1.157 20 5 CDBDLP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCC[NH2+]C1 ZINC001246129015 931084995 /nfs/dbraw/zinc/08/49/95/931084995.db2.gz ORHGKXCTLVEUMX-AAEUAGOBSA-N 2 2 263.341 1.867 20 5 CDBDLP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@](C)([NH3+])C1 ZINC001246532602 931624220 /nfs/dbraw/zinc/62/42/20/931624220.db2.gz XCGTVIZSQZBENR-BXUZGUMPSA-N 2 2 263.341 1.949 20 5 CDBDLP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@](C)([NH3+])C1 ZINC001246532602 931624222 /nfs/dbraw/zinc/62/42/22/931624222.db2.gz XCGTVIZSQZBENR-BXUZGUMPSA-N 2 2 263.341 1.949 20 5 CDBDLP [NH3+]C1CC[NH+](CCNc2nccc(Cl)c2[N+](=O)[O-])CC1 ZINC001161867689 938937209 /nfs/dbraw/zinc/93/72/09/938937209.db2.gz WRYCAOUOEYVYFL-UHFFFAOYSA-N 2 2 299.762 1.478 20 5 CDBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[NH2+]CC12CC2 ZINC001246132132 947977681 /nfs/dbraw/zinc/97/76/81/947977681.db2.gz LCTKVBPICAKUIG-BXUZGUMPSA-N 2 2 275.352 1.867 20 5 CDBDLP Cc1ccc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000593903289 342853806 /nfs/dbraw/zinc/85/38/06/342853806.db2.gz XPJINWYBBPKZBH-LLVKDONJSA-N 2 2 280.328 1.121 20 5 CDBDLP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CC[NH2+]C1 ZINC000414891793 371032466 /nfs/dbraw/zinc/03/24/66/371032466.db2.gz XFRKMASMJYXUPX-PWSUYJOCSA-N 2 2 292.339 1.263 20 5 CDBDLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000423500868 374385356 /nfs/dbraw/zinc/38/53/56/374385356.db2.gz DCIACILLTGYZSC-RISCZKNCSA-N 2 2 279.340 1.624 20 5 CDBDLP Cc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000357109246 375886997 /nfs/dbraw/zinc/88/69/97/375886997.db2.gz XDEVWKVCPPZJQS-KBPBESRZSA-N 2 2 275.352 1.945 20 5 CDBDLP Cc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000357109246 375887003 /nfs/dbraw/zinc/88/70/03/375887003.db2.gz XDEVWKVCPPZJQS-KBPBESRZSA-N 2 2 275.352 1.945 20 5 CDBDLP O=[N+]([O-])c1cc(C[NH2+]CCn2cc[nH+]c2)cs1 ZINC000041119775 379330650 /nfs/dbraw/zinc/33/06/50/379330650.db2.gz XRFVWUJQHJIYNP-UHFFFAOYSA-N 2 2 252.299 1.643 20 5 CDBDLP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C[C@H]12 ZINC000261726095 140381157 /nfs/dbraw/zinc/38/11/57/140381157.db2.gz KUICMVHKYWBXMW-DUFXMDAXSA-N 2 2 279.315 1.903 20 5 CDBDLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C[C@H]12 ZINC000261726095 140381158 /nfs/dbraw/zinc/38/11/58/140381158.db2.gz KUICMVHKYWBXMW-DUFXMDAXSA-N 2 2 279.315 1.903 20 5 CDBDLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C[C@@H]12 ZINC000261726097 140381258 /nfs/dbraw/zinc/38/12/58/140381258.db2.gz KUICMVHKYWBXMW-GAJTVXKRSA-N 2 2 279.315 1.903 20 5 CDBDLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C[C@@H]12 ZINC000261726097 140381259 /nfs/dbraw/zinc/38/12/59/140381259.db2.gz KUICMVHKYWBXMW-GAJTVXKRSA-N 2 2 279.315 1.903 20 5 CDBDLP C[C@H](CC[NH+]1CCOCC1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000124243245 279263982 /nfs/dbraw/zinc/26/39/82/279263982.db2.gz YIGLQAGCGXERIJ-CYBMUJFWSA-N 2 2 293.367 1.795 20 5 CDBDLP O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000776271403 750462855 /nfs/dbraw/zinc/46/28/55/750462855.db2.gz AQHZWJSMTVARCD-AWEZNQCLSA-N 2 2 290.323 1.505 20 5 CDBDLP C[NH2+]C[C@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923283286 750850057 /nfs/dbraw/zinc/85/00/57/750850057.db2.gz UKXVHFGQGRQTRA-DOMZBBRYSA-N 2 2 293.367 1.560 20 5 CDBDLP C[NH2+]C[C@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923283286 750850058 /nfs/dbraw/zinc/85/00/58/750850058.db2.gz UKXVHFGQGRQTRA-DOMZBBRYSA-N 2 2 293.367 1.560 20 5 CDBDLP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC001173217751 912300445 /nfs/dbraw/zinc/30/04/45/912300445.db2.gz LXFOXTJBZRIUBQ-DGCLKSJQSA-N 2 2 263.341 1.949 20 5 CDBDLP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H]([NH3+])C1 ZINC001173217751 912300462 /nfs/dbraw/zinc/30/04/62/912300462.db2.gz LXFOXTJBZRIUBQ-DGCLKSJQSA-N 2 2 263.341 1.949 20 5 CDBDLP O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCC(n3cc[nH+]c3)CC2)C1 ZINC001169037104 927647040 /nfs/dbraw/zinc/64/70/40/927647040.db2.gz IYSBJBZEUVRDCM-JSGCOSHPSA-N 2 2 278.356 1.965 20 5 CDBDLP O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H]1CC[NH2+]C1)CC2 ZINC001118198912 937601380 /nfs/dbraw/zinc/60/13/80/937601380.db2.gz ZDNRXZPLABAKKA-LLVKDONJSA-N 2 2 261.325 1.562 20 5 CDBDLP O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H]1CC[NH2+]C1)CC2 ZINC001118198912 937601382 /nfs/dbraw/zinc/60/13/82/937601382.db2.gz ZDNRXZPLABAKKA-LLVKDONJSA-N 2 2 261.325 1.562 20 5 CDBDLP Cc1c[nH]c(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])[nH+]1 ZINC000600162229 341981730 /nfs/dbraw/zinc/98/17/30/341981730.db2.gz WIEGIEHJZXZMTP-UHFFFAOYSA-N 2 2 275.312 1.592 20 5 CDBDLP [NH3+][C@]12CCC[C@@H]1C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000598682864 343864225 /nfs/dbraw/zinc/86/42/25/343864225.db2.gz POIYGBWWYNCEMJ-DOMZBBRYSA-N 2 2 291.351 1.787 20 5 CDBDLP [NH3+][C@]12CCC[C@@H]1C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000598682864 343864226 /nfs/dbraw/zinc/86/42/26/343864226.db2.gz POIYGBWWYNCEMJ-DOMZBBRYSA-N 2 2 291.351 1.787 20 5 CDBDLP Cc1ccc([C@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000330870408 203335149 /nfs/dbraw/zinc/33/51/49/203335149.db2.gz FTDDNISZJAMOJE-SWLSCSKDSA-N 2 2 293.367 1.620 20 5 CDBDLP Cc1ccc([C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000330870408 203335151 /nfs/dbraw/zinc/33/51/51/203335151.db2.gz FTDDNISZJAMOJE-SWLSCSKDSA-N 2 2 293.367 1.620 20 5 CDBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)C[NH3+] ZINC000414954544 371018921 /nfs/dbraw/zinc/01/89/21/371018921.db2.gz NFXVROOQQJVVKH-VIFPVBQESA-N 2 2 253.302 1.430 20 5 CDBDLP C[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000414958363 371171858 /nfs/dbraw/zinc/17/18/58/371171858.db2.gz WPWJIIVUJKFVQG-WPRPVWTQSA-N 2 2 255.343 1.886 20 5 CDBDLP Cc1ccc([C@H](C)[NH2+]C[C@H]2C[NH2+]CCN2C)cc1[N+](=O)[O-] ZINC000423473653 374383844 /nfs/dbraw/zinc/38/38/44/374383844.db2.gz HKWUGOMNAGNCHL-GXTWGEPZSA-N 2 2 292.383 1.457 20 5 CDBDLP CCC[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000154319082 374695981 /nfs/dbraw/zinc/69/59/81/374695981.db2.gz QNUSOKKMVAHSME-CABCVRRESA-N 2 2 295.383 1.948 20 5 CDBDLP Cc1c([C@H](C)[NH2+]C[C@@H](O)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000154310475 374695397 /nfs/dbraw/zinc/69/53/97/374695397.db2.gz YZIPYLNCVBQTDV-NWDGAFQWSA-N 2 2 281.356 1.476 20 5 CDBDLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000442762038 392492618 /nfs/dbraw/zinc/49/26/18/392492618.db2.gz ZPMIZKGIDRBBEV-UWVGGRQHSA-N 2 2 290.323 1.905 20 5 CDBDLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000442762038 392492622 /nfs/dbraw/zinc/49/26/22/392492622.db2.gz ZPMIZKGIDRBBEV-UWVGGRQHSA-N 2 2 290.323 1.905 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000430547120 393100844 /nfs/dbraw/zinc/10/08/44/393100844.db2.gz FEDOHKQAWKTOHQ-CQSZACIVSA-N 2 2 279.340 1.820 20 5 CDBDLP O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261574447 140351947 /nfs/dbraw/zinc/35/19/47/140351947.db2.gz BCZYFJHDPHNLEA-AWEZNQCLSA-N 2 2 261.325 1.780 20 5 CDBDLP O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261574447 140351948 /nfs/dbraw/zinc/35/19/48/140351948.db2.gz BCZYFJHDPHNLEA-AWEZNQCLSA-N 2 2 261.325 1.780 20 5 CDBDLP O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261653657 140370089 /nfs/dbraw/zinc/37/00/89/140370089.db2.gz YLDPBGRQZTYRNN-AAEUAGOBSA-N 2 2 261.325 1.636 20 5 CDBDLP O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261653657 140370091 /nfs/dbraw/zinc/37/00/91/140370091.db2.gz YLDPBGRQZTYRNN-AAEUAGOBSA-N 2 2 261.325 1.636 20 5 CDBDLP C[NH2+][C@@H](C)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423393351 277293817 /nfs/dbraw/zinc/29/38/17/277293817.db2.gz PCBWSEICUVDGHB-MNOVXSKESA-N 2 2 251.330 1.723 20 5 CDBDLP O=[N+]([O-])c1ccc(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)cc1 ZINC000328470056 756823304 /nfs/dbraw/zinc/82/33/04/756823304.db2.gz ZGTWCJCBGHBYIZ-XSXPHNMFSA-N 2 2 273.336 1.681 20 5 CDBDLP C[C@H](C[NH+]1CCCC1)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168968161 927591293 /nfs/dbraw/zinc/59/12/93/927591293.db2.gz XBLQZJSKCZAICP-AGIUHOORSA-N 2 2 255.362 1.506 20 5 CDBDLP O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000602625044 344501113 /nfs/dbraw/zinc/50/11/13/344501113.db2.gz WTSCNZYJZTYTQF-CYBMUJFWSA-N 2 2 286.335 1.938 20 5 CDBDLP O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@H]1CCC[NH2+]1 ZINC000414853890 367668961 /nfs/dbraw/zinc/66/89/61/367668961.db2.gz YMNLLDNWYXYBMU-ACVFHECNSA-N 2 2 261.325 1.950 20 5 CDBDLP Cc1c(C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)cccc1[N+](=O)[O-] ZINC000314789688 371204160 /nfs/dbraw/zinc/20/41/60/371204160.db2.gz UOGUVUJBZCXHFG-AWEZNQCLSA-N 2 2 293.367 1.448 20 5 CDBDLP Cc1c(C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)cccc1[N+](=O)[O-] ZINC000314789688 371204164 /nfs/dbraw/zinc/20/41/64/371204164.db2.gz UOGUVUJBZCXHFG-AWEZNQCLSA-N 2 2 293.367 1.448 20 5 CDBDLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1cccc([N+](=O)[O-])c1 ZINC000423527561 374389048 /nfs/dbraw/zinc/38/90/48/374389048.db2.gz RWXCVSLYULSYSW-GXFFZTMASA-N 2 2 265.313 1.234 20 5 CDBDLP C[NH2+]CCC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000435880828 248205423 /nfs/dbraw/zinc/20/54/23/248205423.db2.gz LTPGBPBQYKMMGP-UHFFFAOYSA-N 2 2 278.356 1.326 20 5 CDBDLP O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2C[NH2+]CCCO2)cc1 ZINC000415032150 391248013 /nfs/dbraw/zinc/24/80/13/391248013.db2.gz FSLCIBOVXCVJEL-CYBMUJFWSA-N 2 2 265.313 1.063 20 5 CDBDLP C[NH2+]CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000423242849 392961072 /nfs/dbraw/zinc/96/10/72/392961072.db2.gz JKKNELRIMUIFHP-WDEREUQCSA-N 2 2 267.333 1.084 20 5 CDBDLP C[N@@H+]1CCCC12CC[NH+](CCn1ccc([N+](=O)[O-])n1)CC2 ZINC000374624393 160302138 /nfs/dbraw/zinc/30/21/38/160302138.db2.gz PWNXJURSBIGMGW-UHFFFAOYSA-N 2 2 293.371 1.352 20 5 CDBDLP C[N@H+]1CCCC12CC[NH+](CCn1ccc([N+](=O)[O-])n1)CC2 ZINC000374624393 160302139 /nfs/dbraw/zinc/30/21/39/160302139.db2.gz PWNXJURSBIGMGW-UHFFFAOYSA-N 2 2 293.371 1.352 20 5 CDBDLP Cc1c(C)c([N+](=O)[O-])cnc1NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001157915867 1162541439 /nfs/dbraw/zinc/54/14/39/1162541439.db2.gz YIXCYQSFVVCYFU-UHFFFAOYSA-N 2 2 292.343 1.201 20 5 CDBDLP O=[N+]([O-])c1ncccc1C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000886839908 771842471 /nfs/dbraw/zinc/84/24/71/771842471.db2.gz ONAPYQGVSRXJCW-GXTWGEPZSA-N 2 2 290.367 1.954 20 5 CDBDLP O=[N+]([O-])c1ncccc1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000886839908 771842476 /nfs/dbraw/zinc/84/24/76/771842476.db2.gz ONAPYQGVSRXJCW-GXTWGEPZSA-N 2 2 290.367 1.954 20 5 CDBDLP [NH3+][C@@H]1CC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC[C@@H]1F ZINC001246568764 948290056 /nfs/dbraw/zinc/29/00/56/948290056.db2.gz AYWFSTOODOXAEO-SOUVJXGZSA-N 2 2 293.342 1.823 20 5 CDBDLP [NH3+][C@@H]1CC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC[C@@H]1F ZINC001246568764 948290063 /nfs/dbraw/zinc/29/00/63/948290063.db2.gz AYWFSTOODOXAEO-SOUVJXGZSA-N 2 2 293.342 1.823 20 5 CDBDLP Cc1c(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000593902957 342853952 /nfs/dbraw/zinc/85/39/52/342853952.db2.gz LWFKXDGVIKRNTA-JTQLQIEISA-N 2 2 280.328 1.121 20 5 CDBDLP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566476198 357821406 /nfs/dbraw/zinc/82/14/06/357821406.db2.gz UMPXVMYAOGAFKA-MFKMUULPSA-N 2 2 279.340 1.094 20 5 CDBDLP O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2C[NH2+]CCCO2)c(F)c1 ZINC000415042552 241530449 /nfs/dbraw/zinc/53/04/49/241530449.db2.gz QQTMQQQKASQOSS-GFCCVEGCSA-N 2 2 283.303 1.202 20 5 CDBDLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000423011839 374366417 /nfs/dbraw/zinc/36/64/17/374366417.db2.gz JMEWHZSUOWZDEK-RISCZKNCSA-N 2 2 263.341 1.725 20 5 CDBDLP Cc1c([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCCO2)cccc1[N+](=O)[O-] ZINC000423504523 374386264 /nfs/dbraw/zinc/38/62/64/374386264.db2.gz GDBHYZJTSMUAIA-STQMWFEESA-N 2 2 293.367 1.932 20 5 CDBDLP Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000376645477 374566201 /nfs/dbraw/zinc/56/62/01/374566201.db2.gz UNQVEXJUMDGHLK-NWDGAFQWSA-N 2 2 293.371 1.244 20 5 CDBDLP Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000376645477 374566209 /nfs/dbraw/zinc/56/62/09/374566209.db2.gz UNQVEXJUMDGHLK-NWDGAFQWSA-N 2 2 293.371 1.244 20 5 CDBDLP Cn1cnc([N+](=O)[O-])c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000376645477 374566217 /nfs/dbraw/zinc/56/62/17/374566217.db2.gz UNQVEXJUMDGHLK-NWDGAFQWSA-N 2 2 293.371 1.244 20 5 CDBDLP Cn1cnc([N+](=O)[O-])c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000376645477 374566224 /nfs/dbraw/zinc/56/62/24/374566224.db2.gz UNQVEXJUMDGHLK-NWDGAFQWSA-N 2 2 293.371 1.244 20 5 CDBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359288592 158200337 /nfs/dbraw/zinc/20/03/37/158200337.db2.gz ZSNWOWMFPVXEOR-BETUJISGSA-N 2 2 291.351 1.645 20 5 CDBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359288592 158200338 /nfs/dbraw/zinc/20/03/38/158200338.db2.gz ZSNWOWMFPVXEOR-BETUJISGSA-N 2 2 291.351 1.645 20 5 CDBDLP COc1ccc(C[NH2+]C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000037267394 173077363 /nfs/dbraw/zinc/07/73/63/173077363.db2.gz NTOHWBZLVGGWOA-UHFFFAOYSA-N 2 2 279.340 1.787 20 5 CDBDLP COc1ccc(C[C@H](C)[NH2+]CC2C[NH+](C)C2)c([N+](=O)[O-])c1 ZINC001170314010 1162335084 /nfs/dbraw/zinc/33/50/84/1162335084.db2.gz TZVMNZYGJGZUIF-NSHDSACASA-N 2 2 293.367 1.686 20 5 CDBDLP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886838385 777135053 /nfs/dbraw/zinc/13/50/53/777135053.db2.gz WPXNRAKZMVNXMC-GFCCVEGCSA-N 2 2 264.329 1.693 20 5 CDBDLP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886838385 777135060 /nfs/dbraw/zinc/13/50/60/777135060.db2.gz WPXNRAKZMVNXMC-GFCCVEGCSA-N 2 2 264.329 1.693 20 5 CDBDLP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC([NH2+]CCO)CC1 ZINC000601328107 342554265 /nfs/dbraw/zinc/55/42/65/342554265.db2.gz HDHGIFPIQCAFHO-GFCCVEGCSA-N 2 2 293.367 1.702 20 5 CDBDLP [NH3+][C@]12CCC[C@@H]1C[N@H+](CCOc1ccccc1[N+](=O)[O-])C2 ZINC000598684378 343864774 /nfs/dbraw/zinc/86/47/74/343864774.db2.gz WIEJLRAGOZFLMN-DOMZBBRYSA-N 2 2 291.351 1.787 20 5 CDBDLP [NH3+][C@]12CCC[C@@H]1C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C2 ZINC000598684378 343864776 /nfs/dbraw/zinc/86/47/76/343864776.db2.gz WIEJLRAGOZFLMN-DOMZBBRYSA-N 2 2 291.351 1.787 20 5 CDBDLP C[NH+](C)C1CC[NH+](CCNc2ccc([N+](=O)[O-])cn2)CC1 ZINC000267220688 359028166 /nfs/dbraw/zinc/02/81/66/359028166.db2.gz SRBICNJQKBFZHB-UHFFFAOYSA-N 2 2 293.371 1.428 20 5 CDBDLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000423500866 374385118 /nfs/dbraw/zinc/38/51/18/374385118.db2.gz DCIACILLTGYZSC-BXUZGUMPSA-N 2 2 279.340 1.624 20 5 CDBDLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000423513041 374388393 /nfs/dbraw/zinc/38/83/93/374388393.db2.gz BYFFCISWCBLYRP-GWCFXTLKSA-N 2 2 265.313 1.234 20 5 CDBDLP COc1ccc(C[N@H+](C)[C@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000160111119 375733665 /nfs/dbraw/zinc/73/36/65/375733665.db2.gz TVYTZERQWVJGHD-CYBMUJFWSA-N 2 2 279.340 1.773 20 5 CDBDLP COc1ccc(C[N@@H+](C)[C@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000160111119 375733670 /nfs/dbraw/zinc/73/36/70/375733670.db2.gz TVYTZERQWVJGHD-CYBMUJFWSA-N 2 2 279.340 1.773 20 5 CDBDLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000163242233 390179918 /nfs/dbraw/zinc/17/99/18/390179918.db2.gz MADAVFSBTRAPQG-PSASIEDQSA-N 2 2 255.343 1.825 20 5 CDBDLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000163242233 390179920 /nfs/dbraw/zinc/17/99/20/390179920.db2.gz MADAVFSBTRAPQG-PSASIEDQSA-N 2 2 255.343 1.825 20 5 CDBDLP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000268855255 132077955 /nfs/dbraw/zinc/07/79/55/132077955.db2.gz QQSRSXDFBNYJBT-SWLSCSKDSA-N 2 2 293.367 1.702 20 5 CDBDLP C[C@]1(C[NH3+])CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000261796872 140390036 /nfs/dbraw/zinc/39/00/36/140390036.db2.gz NYRPIXHYNAFSJS-CQSZACIVSA-N 2 2 290.323 1.907 20 5 CDBDLP C[C@]1(C[NH3+])CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000261796872 140390037 /nfs/dbraw/zinc/39/00/37/140390037.db2.gz NYRPIXHYNAFSJS-CQSZACIVSA-N 2 2 290.323 1.907 20 5 CDBDLP [NH3+]C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000313358835 260287280 /nfs/dbraw/zinc/28/72/80/260287280.db2.gz UXIMHCSLAOKUTN-ZDUSSCGKSA-N 2 2 265.313 1.144 20 5 CDBDLP [NH3+]C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000313358835 260287282 /nfs/dbraw/zinc/28/72/82/260287282.db2.gz UXIMHCSLAOKUTN-ZDUSSCGKSA-N 2 2 265.313 1.144 20 5 CDBDLP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000570354182 294223060 /nfs/dbraw/zinc/22/30/60/294223060.db2.gz VJFMKYGYXBXGFH-GXTWGEPZSA-N 2 2 295.383 1.866 20 5 CDBDLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000570354182 294223061 /nfs/dbraw/zinc/22/30/61/294223061.db2.gz VJFMKYGYXBXGFH-GXTWGEPZSA-N 2 2 295.383 1.866 20 5 CDBDLP Cc1[nH+]cn([C@H]2CC[C@H](C[N+](=O)[O-])C2)c1CC[NH3+] ZINC001168966594 1161996262 /nfs/dbraw/zinc/99/62/62/1161996262.db2.gz JPVGKXTUQQEERF-QWRGUYRKSA-N 2 2 252.318 1.311 20 5 CDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C[C@@H](C)[NH3+] ZINC000863569396 783554190 /nfs/dbraw/zinc/55/41/90/783554190.db2.gz URIAZUICRJEEBR-LLVKDONJSA-N 2 2 294.355 1.511 20 5 CDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)C[C@@H](C)[NH3+] ZINC000863569396 783554216 /nfs/dbraw/zinc/55/42/16/783554216.db2.gz URIAZUICRJEEBR-LLVKDONJSA-N 2 2 294.355 1.511 20 5 CDBDLP C[NH2+]C[C@@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923283289 923705113 /nfs/dbraw/zinc/70/51/13/923705113.db2.gz UKXVHFGQGRQTRA-WFASDCNBSA-N 2 2 293.367 1.560 20 5 CDBDLP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923283289 923705125 /nfs/dbraw/zinc/70/51/25/923705125.db2.gz UKXVHFGQGRQTRA-WFASDCNBSA-N 2 2 293.367 1.560 20 5 CDBDLP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H]1C[NH3+] ZINC001246913714 948516108 /nfs/dbraw/zinc/51/61/08/948516108.db2.gz KPSGAXPIAQUHOM-SMDDNHRTSA-N 2 2 263.341 1.949 20 5 CDBDLP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H]1C[NH3+] ZINC001246913714 948516117 /nfs/dbraw/zinc/51/61/17/948516117.db2.gz KPSGAXPIAQUHOM-SMDDNHRTSA-N 2 2 263.341 1.949 20 5 CDBDLP C[N@H+](CCC[NH3+])Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000592473793 342698554 /nfs/dbraw/zinc/69/85/54/342698554.db2.gz PCLGLROBLSDKKL-UHFFFAOYSA-N 2 2 291.311 1.425 20 5 CDBDLP C[N@@H+](CCC[NH3+])Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000592473793 342698555 /nfs/dbraw/zinc/69/85/55/342698555.db2.gz PCLGLROBLSDKKL-UHFFFAOYSA-N 2 2 291.311 1.425 20 5 CDBDLP Cc1noc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000595299922 343027596 /nfs/dbraw/zinc/02/75/96/343027596.db2.gz GUJFUHPBJWLNFZ-LLVKDONJSA-N 2 2 291.311 1.925 20 5 CDBDLP Cc1noc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000595299922 343027600 /nfs/dbraw/zinc/02/76/00/343027600.db2.gz GUJFUHPBJWLNFZ-LLVKDONJSA-N 2 2 291.311 1.925 20 5 CDBDLP O=[N+]([O-])c1ccc(C[NH2+]C2CC[NH2+]CC2)c(F)c1 ZINC000167562896 342437328 /nfs/dbraw/zinc/43/73/28/342437328.db2.gz CFOJTTSVOHLWEU-UHFFFAOYSA-N 2 2 253.277 1.576 20 5 CDBDLP C[C@@H](CC[NH+]1CCOCC1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000124243489 295863936 /nfs/dbraw/zinc/86/39/36/295863936.db2.gz SCSQLIZCIZAMGV-ZDUSSCGKSA-N 2 2 293.367 1.795 20 5 CDBDLP O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CCC[NH2+]C2)cs1 ZINC000414826407 370448558 /nfs/dbraw/zinc/44/85/58/370448558.db2.gz ITRQBQSTAZHOGX-VIFPVBQESA-N 2 2 255.343 1.746 20 5 CDBDLP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000305150278 375559454 /nfs/dbraw/zinc/55/94/54/375559454.db2.gz TWQHZTYIROBAAP-GXFFZTMASA-N 2 2 267.329 1.168 20 5 CDBDLP C[NH2+]C1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000430922159 390942473 /nfs/dbraw/zinc/94/24/73/390942473.db2.gz XTTJIBCMSGJCQD-UHFFFAOYSA-N 2 2 279.340 1.657 20 5 CDBDLP O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1 ZINC000415032151 391248098 /nfs/dbraw/zinc/24/80/98/391248098.db2.gz FSLCIBOVXCVJEL-ZDUSSCGKSA-N 2 2 265.313 1.063 20 5 CDBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000423556163 392964523 /nfs/dbraw/zinc/96/45/23/392964523.db2.gz HWBGLODFTJIWCO-DGCLKSJQSA-N 2 2 279.340 1.104 20 5 CDBDLP O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000261586037 140356825 /nfs/dbraw/zinc/35/68/25/140356825.db2.gz IQWNLAXWFIJELW-STQMWFEESA-N 2 2 261.325 1.636 20 5 CDBDLP O=[N+]([O-])c1cccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000261586037 140356826 /nfs/dbraw/zinc/35/68/26/140356826.db2.gz IQWNLAXWFIJELW-STQMWFEESA-N 2 2 261.325 1.636 20 5 CDBDLP O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000261586036 140357198 /nfs/dbraw/zinc/35/71/98/140357198.db2.gz IQWNLAXWFIJELW-QWHCGFSZSA-N 2 2 261.325 1.636 20 5 CDBDLP O=[N+]([O-])c1cccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000261586036 140357199 /nfs/dbraw/zinc/35/71/99/140357199.db2.gz IQWNLAXWFIJELW-QWHCGFSZSA-N 2 2 261.325 1.636 20 5 CDBDLP O=[N+]([O-])c1ccccc1/C=C\C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359472437 158257789 /nfs/dbraw/zinc/25/77/89/158257789.db2.gz LSURVESSMXGPPC-DWMAKUKJSA-N 2 2 273.336 1.759 20 5 CDBDLP O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@H]2CC[N@H+](CC3CCC3)C2)C1 ZINC001168992818 927601209 /nfs/dbraw/zinc/60/12/09/927601209.db2.gz KWTWEHFGBOVIDN-ZNMIVQPWSA-N 2 2 281.400 1.896 20 5 CDBDLP O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@H]2CC[N@@H+](CC3CCC3)C2)C1 ZINC001168992818 927601215 /nfs/dbraw/zinc/60/12/15/927601215.db2.gz KWTWEHFGBOVIDN-ZNMIVQPWSA-N 2 2 281.400 1.896 20 5 CDBDLP C[C@@H]([NH3+])C[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000863569102 929572548 /nfs/dbraw/zinc/57/25/48/929572548.db2.gz PVTLQLKAFKVZJP-SNVBAGLBSA-N 2 2 253.302 1.253 20 5 CDBDLP C[C@@H]([NH3+])C[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000863569102 929572553 /nfs/dbraw/zinc/57/25/53/929572553.db2.gz PVTLQLKAFKVZJP-SNVBAGLBSA-N 2 2 253.302 1.253 20 5 CDBDLP CC[C@H]([NH3+])C[N@H+](C)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001246972639 948549916 /nfs/dbraw/zinc/54/99/16/948549916.db2.gz CPENMYDWIZOUEG-JSGCOSHPSA-N 2 2 263.341 1.731 20 5 CDBDLP CC[C@H]([NH3+])C[N@@H+](C)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001246972639 948549921 /nfs/dbraw/zinc/54/99/21/948549921.db2.gz CPENMYDWIZOUEG-JSGCOSHPSA-N 2 2 263.341 1.731 20 5 CDBDLP COc1cc(C[NH2+]C[C@H](C)C[NH+](C)C)c([N+](=O)[O-])cc1O ZINC000291664713 198056526 /nfs/dbraw/zinc/05/65/26/198056526.db2.gz FMUUWIFFEABQIH-JTQLQIEISA-N 2 2 297.355 1.596 20 5 CDBDLP O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCC[NH2+]C2)c(F)c1 ZINC000414828197 367035574 /nfs/dbraw/zinc/03/55/74/367035574.db2.gz LOHAYNIKANXGKM-JTQLQIEISA-N 2 2 267.304 1.823 20 5 CDBDLP COc1ccc(C[NH2+][C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000414874823 368560146 /nfs/dbraw/zinc/56/01/46/368560146.db2.gz ZLKSCSWHJZYXOQ-NSHDSACASA-N 2 2 265.313 1.445 20 5 CDBDLP COC[C@@]1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC[NH2+]1 ZINC000414948053 370945235 /nfs/dbraw/zinc/94/52/35/370945235.db2.gz WPADGZWJTLUNLX-AWEZNQCLSA-N 2 2 279.340 1.453 20 5 CDBDLP CC[C@@H]([NH2+]C[C@H]1C[NH2+]CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000423480669 374386224 /nfs/dbraw/zinc/38/62/24/374386224.db2.gz PMKACEYROOLHFQ-HUUCEWRRSA-N 2 2 292.383 1.539 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000131654588 375306451 /nfs/dbraw/zinc/30/64/51/375306451.db2.gz NHQXYUCBJCTJLI-WDEREUQCSA-N 2 2 279.340 1.773 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000131654588 375306455 /nfs/dbraw/zinc/30/64/55/375306455.db2.gz NHQXYUCBJCTJLI-WDEREUQCSA-N 2 2 279.340 1.773 20 5 CDBDLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000358138504 375952890 /nfs/dbraw/zinc/95/28/90/375952890.db2.gz MZOIXOKNNKYUJP-CYBMUJFWSA-N 2 2 299.758 1.404 20 5 CDBDLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000358138504 375952894 /nfs/dbraw/zinc/95/28/94/375952894.db2.gz MZOIXOKNNKYUJP-CYBMUJFWSA-N 2 2 299.758 1.404 20 5 CDBDLP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430935617 393105147 /nfs/dbraw/zinc/10/51/47/393105147.db2.gz UMOPNSWNOPUXMI-WDEREUQCSA-N 2 2 292.339 1.202 20 5 CDBDLP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430935617 393105158 /nfs/dbraw/zinc/10/51/58/393105158.db2.gz UMOPNSWNOPUXMI-WDEREUQCSA-N 2 2 292.339 1.202 20 5 CDBDLP C[C@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000430969166 393106617 /nfs/dbraw/zinc/10/66/17/393106617.db2.gz CCTUFABGCGVHPI-CABZTGNLSA-N 2 2 267.304 1.903 20 5 CDBDLP C[C@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000430969166 393106624 /nfs/dbraw/zinc/10/66/24/393106624.db2.gz CCTUFABGCGVHPI-CABZTGNLSA-N 2 2 267.304 1.903 20 5 CDBDLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000261574359 140352681 /nfs/dbraw/zinc/35/26/81/140352681.db2.gz AZVBKBMFLMRJLN-VHSXEESVSA-N 2 2 267.304 1.903 20 5 CDBDLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000261574359 140352683 /nfs/dbraw/zinc/35/26/83/140352683.db2.gz AZVBKBMFLMRJLN-VHSXEESVSA-N 2 2 267.304 1.903 20 5 CDBDLP O=[N+]([O-])c1ccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c(Cl)c1 ZINC000415045638 280739593 /nfs/dbraw/zinc/73/95/93/280739593.db2.gz WIRXBVILWSVZMD-IAZYJMLFSA-N 2 2 267.716 1.556 20 5 CDBDLP CC(C)[N@H+](C)CC1CC[NH+](Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000738089840 574605941 /nfs/dbraw/zinc/60/59/41/574605941.db2.gz NAELWYHWPKZBRB-UHFFFAOYSA-N 2 2 295.387 1.801 20 5 CDBDLP CC(C)[N@@H+](C)CC1CC[NH+](Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000738089840 574605944 /nfs/dbraw/zinc/60/59/44/574605944.db2.gz NAELWYHWPKZBRB-UHFFFAOYSA-N 2 2 295.387 1.801 20 5 CDBDLP C[C@@]1(C[NH2+]CC[N+](=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000905243553 626700510 /nfs/dbraw/zinc/70/05/10/626700510.db2.gz JZZWZAFWUUVYBH-HNNXBMFYSA-N 2 2 277.368 1.765 20 5 CDBDLP C[C@@]1(C[NH2+]CC[N+](=O)[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC000905243553 626700513 /nfs/dbraw/zinc/70/05/13/626700513.db2.gz JZZWZAFWUUVYBH-HNNXBMFYSA-N 2 2 277.368 1.765 20 5 CDBDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cccnc3[N+](=O)[O-])CC[C@H]21 ZINC000886044532 787516828 /nfs/dbraw/zinc/51/68/28/787516828.db2.gz ZFKJWNMVPJHFDG-GXTWGEPZSA-N 2 2 290.367 1.906 20 5 CDBDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccnc3[N+](=O)[O-])CC[C@H]21 ZINC000886044532 787516857 /nfs/dbraw/zinc/51/68/57/787516857.db2.gz ZFKJWNMVPJHFDG-GXTWGEPZSA-N 2 2 290.367 1.906 20 5 CDBDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccnc3[N+](=O)[O-])CC[C@H]21 ZINC000886044532 787516883 /nfs/dbraw/zinc/51/68/83/787516883.db2.gz ZFKJWNMVPJHFDG-GXTWGEPZSA-N 2 2 290.367 1.906 20 5 CDBDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccnc3[N+](=O)[O-])CC[C@H]21 ZINC000886044532 787516906 /nfs/dbraw/zinc/51/69/06/787516906.db2.gz ZFKJWNMVPJHFDG-GXTWGEPZSA-N 2 2 290.367 1.906 20 5 CDBDLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001246552263 948259794 /nfs/dbraw/zinc/25/97/94/948259794.db2.gz XQIPUAJVJBKRKG-BIGNPOOSSA-N 2 2 261.325 1.484 20 5 CDBDLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001246552263 948259798 /nfs/dbraw/zinc/25/97/98/948259798.db2.gz XQIPUAJVJBKRKG-BIGNPOOSSA-N 2 2 261.325 1.484 20 5 CDBDLP [NH3+]C[C@]1(F)CCCC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001246572794 948296691 /nfs/dbraw/zinc/29/66/91/948296691.db2.gz BIGDWEADDUWPAJ-FRRDWIJNSA-N 2 2 273.352 1.585 20 5 CDBDLP [NH3+]C[C@]1(F)CCCC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001246572794 948296700 /nfs/dbraw/zinc/29/67/00/948296700.db2.gz BIGDWEADDUWPAJ-FRRDWIJNSA-N 2 2 273.352 1.585 20 5 CDBDLP O=[N+]([O-])c1cccc(OCC[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)c1 ZINC000601328062 342554367 /nfs/dbraw/zinc/55/43/67/342554367.db2.gz FSUQTRGSMPQGMH-DOMZBBRYSA-N 2 2 291.351 1.705 20 5 CDBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)CCC[NH3+] ZINC000592473562 342698483 /nfs/dbraw/zinc/69/84/83/342698483.db2.gz BDRAAQJLPPRWIR-UHFFFAOYSA-N 2 2 280.328 1.122 20 5 CDBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)CCC[NH3+] ZINC000592473562 342698485 /nfs/dbraw/zinc/69/84/85/342698485.db2.gz BDRAAQJLPPRWIR-UHFFFAOYSA-N 2 2 280.328 1.122 20 5 CDBDLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000420367727 244153115 /nfs/dbraw/zinc/15/31/15/244153115.db2.gz NFRWCJKKTDCKEY-JMSVASOKSA-N 2 2 293.367 1.950 20 5 CDBDLP CC[NH2+][C@H](C)C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000414954302 371043846 /nfs/dbraw/zinc/04/38/46/371043846.db2.gz KIWPMSBYTAZOQH-SNVBAGLBSA-N 2 2 267.329 1.691 20 5 CDBDLP COc1ccc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])cc1[N+](=O)[O-] ZINC000422943504 374364517 /nfs/dbraw/zinc/36/45/17/374364517.db2.gz KODNQCXAZNKALE-GHMZBOCLSA-N 2 2 265.313 1.573 20 5 CDBDLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000423017392 374369208 /nfs/dbraw/zinc/36/92/08/374369208.db2.gz WGORLJXDWQQPMO-OCCSQVGLSA-N 2 2 293.367 1.494 20 5 CDBDLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3c(F)cccc3[N+](=O)[O-])C[C@@H]12 ZINC000351482126 375300967 /nfs/dbraw/zinc/30/09/67/375300967.db2.gz YYPPHNQHDWTACG-GIPNMCIBSA-N 2 2 279.315 1.903 20 5 CDBDLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])C[C@@H]12 ZINC000351482126 375300974 /nfs/dbraw/zinc/30/09/74/375300974.db2.gz YYPPHNQHDWTACG-GIPNMCIBSA-N 2 2 279.315 1.903 20 5 CDBDLP O=[N+]([O-])c1ccccc1C[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415042528 391249896 /nfs/dbraw/zinc/24/98/96/391249896.db2.gz QQELAVNCNCMRPI-GFCCVEGCSA-N 2 2 265.313 1.063 20 5 CDBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313344051 392944892 /nfs/dbraw/zinc/94/48/92/392944892.db2.gz DSKYVRJEMCFFFW-NWDGAFQWSA-N 2 2 279.340 1.705 20 5 CDBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313344051 392944898 /nfs/dbraw/zinc/94/48/98/392944898.db2.gz DSKYVRJEMCFFFW-NWDGAFQWSA-N 2 2 279.340 1.705 20 5 CDBDLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCN1C)c1ccc([N+](=O)[O-])cc1 ZINC000423486333 392963489 /nfs/dbraw/zinc/96/34/89/392963489.db2.gz WIECRKWQPQWHIE-SMDDNHRTSA-N 2 2 278.356 1.149 20 5 CDBDLP COc1ccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000261600233 140360914 /nfs/dbraw/zinc/36/09/14/140360914.db2.gz BMDHLXPAFJDGTG-HNNXBMFYSA-N 2 2 291.351 1.789 20 5 CDBDLP COc1ccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000261600233 140360916 /nfs/dbraw/zinc/36/09/16/140360916.db2.gz BMDHLXPAFJDGTG-HNNXBMFYSA-N 2 2 291.351 1.789 20 5 CDBDLP Cc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000359472885 158257653 /nfs/dbraw/zinc/25/76/53/158257653.db2.gz MSHJJBPITCNMNI-BETUJISGSA-N 2 2 261.325 1.554 20 5 CDBDLP Cc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000359472885 158257655 /nfs/dbraw/zinc/25/76/55/158257655.db2.gz MSHJJBPITCNMNI-BETUJISGSA-N 2 2 261.325 1.554 20 5 CDBDLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000579580818 324221513 /nfs/dbraw/zinc/22/15/13/324221513.db2.gz MYMWKTWHTXKUCZ-RISCZKNCSA-N 2 2 279.340 1.561 20 5 CDBDLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000068803085 525487173 /nfs/dbraw/zinc/48/71/73/525487173.db2.gz DMCHJNBQTLJVMV-IUODEOHRSA-N 2 2 292.383 1.491 20 5 CDBDLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000068803085 525487177 /nfs/dbraw/zinc/48/71/77/525487177.db2.gz DMCHJNBQTLJVMV-IUODEOHRSA-N 2 2 292.383 1.491 20 5 CDBDLP [NH3+]C1CC[NH+](CCNc2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000721987022 793815576 /nfs/dbraw/zinc/81/55/76/793815576.db2.gz PTIXNBUGYHZRFR-UHFFFAOYSA-N 2 2 299.762 1.478 20 5 CDBDLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923373700 795581801 /nfs/dbraw/zinc/58/18/01/795581801.db2.gz OZRFVHCVRKMPOG-FIXIBIHLSA-N 2 2 293.367 1.604 20 5 CDBDLP [NH3+]C[C@]1(F)CCCC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001246572800 948295869 /nfs/dbraw/zinc/29/58/69/948295869.db2.gz BIGDWEADDUWPAJ-RWMBFGLXSA-N 2 2 273.352 1.585 20 5 CDBDLP [NH3+]C[C@]1(F)CCCC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001246572800 948295876 /nfs/dbraw/zinc/29/58/76/948295876.db2.gz BIGDWEADDUWPAJ-RWMBFGLXSA-N 2 2 273.352 1.585 20 5 CDBDLP C[NH2+][C@@H](C)CC[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC001328677361 955411376 /nfs/dbraw/zinc/41/13/76/955411376.db2.gz LIIQDODPAYIGOG-JTQLQIEISA-N 2 2 295.339 1.454 20 5 CDBDLP Cc1cccc(NC[C@H]2CCC[N@@H+]2CC[N+](=O)[O-])[nH+]1 ZINC001334615606 959241147 /nfs/dbraw/zinc/24/11/47/959241147.db2.gz QACRRIOMQCKHQT-GFCCVEGCSA-N 2 2 264.329 1.543 20 5 CDBDLP Cc1cccc(NC[C@H]2CCC[N@H+]2CC[N+](=O)[O-])[nH+]1 ZINC001334615606 959241159 /nfs/dbraw/zinc/24/11/59/959241159.db2.gz QACRRIOMQCKHQT-GFCCVEGCSA-N 2 2 264.329 1.543 20 5 CDBDLP C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CC(C)(C)[NH3+] ZINC000595898223 343186108 /nfs/dbraw/zinc/18/61/08/343186108.db2.gz HXRALNBEADKPCZ-UHFFFAOYSA-N 2 2 267.329 1.643 20 5 CDBDLP C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CC(C)(C)[NH3+] ZINC000595898223 343186109 /nfs/dbraw/zinc/18/61/09/343186109.db2.gz HXRALNBEADKPCZ-UHFFFAOYSA-N 2 2 267.329 1.643 20 5 CDBDLP COc1ccc(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000129095816 345262214 /nfs/dbraw/zinc/26/22/14/345262214.db2.gz MQXPEVGDGIJVPV-ZYHUDNBSSA-N 2 2 279.340 1.915 20 5 CDBDLP COc1ccc(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000129095816 345262215 /nfs/dbraw/zinc/26/22/15/345262215.db2.gz MQXPEVGDGIJVPV-ZYHUDNBSSA-N 2 2 279.340 1.915 20 5 CDBDLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000348258018 360655319 /nfs/dbraw/zinc/65/53/19/360655319.db2.gz UYXSQBLAJDGGHH-UHFFFAOYSA-N 2 2 292.343 1.355 20 5 CDBDLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000348258018 360655328 /nfs/dbraw/zinc/65/53/28/360655328.db2.gz UYXSQBLAJDGGHH-UHFFFAOYSA-N 2 2 292.343 1.355 20 5 CDBDLP O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@H]1CCC[NH2+]1 ZINC000414853892 241420110 /nfs/dbraw/zinc/42/01/10/241420110.db2.gz YMNLLDNWYXYBMU-VUUYWXRKSA-N 2 2 261.325 1.950 20 5 CDBDLP CC[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000330889418 203357235 /nfs/dbraw/zinc/35/72/35/203357235.db2.gz VEQMYJRFEGSETG-LSDHHAIUSA-N 2 2 293.367 1.702 20 5 CDBDLP CC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000330889418 203357238 /nfs/dbraw/zinc/35/72/38/203357238.db2.gz VEQMYJRFEGSETG-LSDHHAIUSA-N 2 2 293.367 1.702 20 5 CDBDLP O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+][C@@H]2CCC[NH2+]C2)n1 ZINC000423357955 285169068 /nfs/dbraw/zinc/16/90/68/285169068.db2.gz MRLYJRRUBZJRKM-AGIUHOORSA-N 2 2 293.371 1.617 20 5 CDBDLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000261574357 390474639 /nfs/dbraw/zinc/47/46/39/390474639.db2.gz AZVBKBMFLMRJLN-UWVGGRQHSA-N 2 2 267.304 1.903 20 5 CDBDLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000261574357 390474642 /nfs/dbraw/zinc/47/46/42/390474642.db2.gz AZVBKBMFLMRJLN-UWVGGRQHSA-N 2 2 267.304 1.903 20 5 CDBDLP Cc1c(C[NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000231883690 140219571 /nfs/dbraw/zinc/21/95/71/140219571.db2.gz OANGXKBOXUCOTM-BXUZGUMPSA-N 2 2 293.367 1.760 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261728051 140381445 /nfs/dbraw/zinc/38/14/45/140381445.db2.gz QWAMRNNICQAGST-FZMZJTMJSA-N 2 2 291.351 1.787 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261728051 140381447 /nfs/dbraw/zinc/38/14/47/140381447.db2.gz QWAMRNNICQAGST-FZMZJTMJSA-N 2 2 291.351 1.787 20 5 CDBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423197384 397602296 /nfs/dbraw/zinc/60/22/96/397602296.db2.gz ZERNPAOSDGRJKV-WCQYABFASA-N 2 2 263.341 1.867 20 5 CDBDLP Cc1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000359472888 158257346 /nfs/dbraw/zinc/25/73/46/158257346.db2.gz MSHJJBPITCNMNI-STQMWFEESA-N 2 2 261.325 1.554 20 5 CDBDLP C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]1 ZINC000564826496 293424687 /nfs/dbraw/zinc/42/46/87/293424687.db2.gz QBGDEXCXVORCTF-BXUZGUMPSA-N 2 2 279.340 1.704 20 5 CDBDLP C[C@@H]1C[C@H](C)[N@H+](Cc2cccnc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000886840313 930972785 /nfs/dbraw/zinc/97/27/85/930972785.db2.gz YYIMTHNRWSOBLW-MDZLAQPJSA-N 2 2 278.356 1.795 20 5 CDBDLP C[C@@H]1C[C@H](C)[N@@H+](Cc2cccnc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000886840313 930972794 /nfs/dbraw/zinc/97/27/94/930972794.db2.gz YYIMTHNRWSOBLW-MDZLAQPJSA-N 2 2 278.356 1.795 20 5 CDBDLP COc1ccc(C[C@@H](C)[N@H+](C)C[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC001246981289 948559292 /nfs/dbraw/zinc/55/92/92/948559292.db2.gz PIOOCEDDOLDMPP-WDEREUQCSA-N 2 2 281.356 1.813 20 5 CDBDLP COc1ccc(C[C@@H](C)[N@@H+](C)C[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC001246981289 948559297 /nfs/dbraw/zinc/55/92/97/948559297.db2.gz PIOOCEDDOLDMPP-WDEREUQCSA-N 2 2 281.356 1.813 20 5 CDBDLP O=[N+]([O-])c1ccc2cc[nH+]c(N3C[C@H]4C[NH2+]C[C@H]4C3)c2c1 ZINC000591139923 342618246 /nfs/dbraw/zinc/61/82/46/342618246.db2.gz LMWYHQNBRKJANQ-TXEJJXNPSA-N 2 2 284.319 1.799 20 5 CDBDLP CCOc1ccc([C@@H](C)[NH2+]C[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000591581423 342638029 /nfs/dbraw/zinc/63/80/29/342638029.db2.gz VUESKBANDWHXFW-VHSXEESVSA-N 2 2 267.329 1.991 20 5 CDBDLP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000414973152 371196830 /nfs/dbraw/zinc/19/68/30/371196830.db2.gz BVAJBAUSSOPVDE-SNVBAGLBSA-N 2 2 253.302 1.430 20 5 CDBDLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1cccc([N+](=O)[O-])c1 ZINC000423527562 374387615 /nfs/dbraw/zinc/38/76/15/374387615.db2.gz RWXCVSLYULSYSW-MFKMUULPSA-N 2 2 265.313 1.234 20 5 CDBDLP C[NH+]1CCC([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000278821524 194170292 /nfs/dbraw/zinc/17/02/92/194170292.db2.gz ZKTPXKSMQLMCTH-UHFFFAOYSA-N 2 2 289.339 1.655 20 5 CDBDLP C[C@](C[NH3+])([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000430571162 393100562 /nfs/dbraw/zinc/10/05/62/393100562.db2.gz NUKCNCSEPHMDMV-CQSZACIVSA-N 2 2 292.339 1.250 20 5 CDBDLP CC[N@H+](C)C[C@@H]1CC[NH+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176285685 148035553 /nfs/dbraw/zinc/03/55/53/148035553.db2.gz MXAOEYGMWZZOQS-LBPRGKRZSA-N 2 2 281.360 1.065 20 5 CDBDLP CC[N@@H+](C)C[C@@H]1CC[NH+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176285685 148035554 /nfs/dbraw/zinc/03/55/54/148035554.db2.gz MXAOEYGMWZZOQS-LBPRGKRZSA-N 2 2 281.360 1.065 20 5 CDBDLP CC[NH+](C)C[C@@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176285685 148035555 /nfs/dbraw/zinc/03/55/55/148035555.db2.gz MXAOEYGMWZZOQS-LBPRGKRZSA-N 2 2 281.360 1.065 20 5 CDBDLP CC[NH+](C)C[C@@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176285685 148035556 /nfs/dbraw/zinc/03/55/56/148035556.db2.gz MXAOEYGMWZZOQS-LBPRGKRZSA-N 2 2 281.360 1.065 20 5 CDBDLP COc1ccc(C[N@@H+]2CCC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000044531283 175196458 /nfs/dbraw/zinc/19/64/58/175196458.db2.gz PFHXCJPNDVZDMR-GFCCVEGCSA-N 2 2 279.340 1.774 20 5 CDBDLP COc1ccc(C[N@H+]2CCC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000044531283 175196460 /nfs/dbraw/zinc/19/64/60/175196460.db2.gz PFHXCJPNDVZDMR-GFCCVEGCSA-N 2 2 279.340 1.774 20 5 CDBDLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000422796927 278294425 /nfs/dbraw/zinc/29/44/25/278294425.db2.gz ZLQIDIBIPGEYBT-GXTWGEPZSA-N 2 2 293.367 1.494 20 5 CDBDLP C[NH2+][C@H](C)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423393354 536403971 /nfs/dbraw/zinc/40/39/71/536403971.db2.gz PCBWSEICUVDGHB-WDEREUQCSA-N 2 2 251.330 1.723 20 5 CDBDLP [NH3+][C@@H]1COC[C@H]1[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172899828 912036795 /nfs/dbraw/zinc/03/67/95/912036795.db2.gz CZWLELZCEOHCDQ-BPLDGKMQSA-N 2 2 291.351 1.158 20 5 CDBDLP CC1CC[NH+](CC[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168957861 927580408 /nfs/dbraw/zinc/58/04/08/927580408.db2.gz JUYQTWIDLMXTKH-KGLIPLIRSA-N 2 2 269.389 1.753 20 5 CDBDLP [NH3+]C[C@@H]1Cc2ccccc2C[N@@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169001060 927605933 /nfs/dbraw/zinc/60/59/33/927605933.db2.gz CQYRCZVEONCGBT-RCBQFDQVSA-N 2 2 289.379 1.817 20 5 CDBDLP [NH3+]C[C@@H]1Cc2ccccc2C[N@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169001060 927605941 /nfs/dbraw/zinc/60/59/41/927605941.db2.gz CQYRCZVEONCGBT-RCBQFDQVSA-N 2 2 289.379 1.817 20 5 CDBDLP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[NH2+]CC1 ZINC001246530298 948233749 /nfs/dbraw/zinc/23/37/49/948233749.db2.gz WMFQOOVWPLTVGH-LBPRGKRZSA-N 2 2 263.341 1.821 20 5 CDBDLP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[NH2+]CC1 ZINC001246530298 948233755 /nfs/dbraw/zinc/23/37/55/948233755.db2.gz WMFQOOVWPLTVGH-LBPRGKRZSA-N 2 2 263.341 1.821 20 5 CDBDLP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CC[NH2+]C2CC2)n1 ZINC000591577287 342637730 /nfs/dbraw/zinc/63/77/30/342637730.db2.gz MKGMCSOIGLNNSI-CHWSQXEVSA-N 2 2 293.371 1.617 20 5 CDBDLP C[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000591581001 342637926 /nfs/dbraw/zinc/63/79/26/342637926.db2.gz IWGHIROBYPWIGC-USWWRNFRSA-N 2 2 267.304 1.945 20 5 CDBDLP COc1cc([N+](=O)[O-])ccc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000619531105 349792833 /nfs/dbraw/zinc/79/28/33/349792833.db2.gz BPUOMCPFEQJRGU-VXGBXAGGSA-N 2 2 277.324 1.255 20 5 CDBDLP C[NH+]1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000201100464 344701463 /nfs/dbraw/zinc/70/14/63/344701463.db2.gz CXPJHEVQPVNUHA-UHFFFAOYSA-N 2 2 272.308 1.895 20 5 CDBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]([NH3+])C1CC1 ZINC000414889118 241442272 /nfs/dbraw/zinc/44/22/72/241442272.db2.gz FXMNHZNELAYELJ-ZDUSSCGKSA-N 2 2 279.340 1.820 20 5 CDBDLP [NH3+][C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000414893599 369383047 /nfs/dbraw/zinc/38/30/47/369383047.db2.gz RRUUYTZXXLKGGP-LBPRGKRZSA-N 2 2 253.277 1.561 20 5 CDBDLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000422796928 245266265 /nfs/dbraw/zinc/26/62/65/245266265.db2.gz ZLQIDIBIPGEYBT-JSGCOSHPSA-N 2 2 293.367 1.494 20 5 CDBDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCn1cc([N+](=O)[O-])cn1 ZINC000177308822 372883223 /nfs/dbraw/zinc/88/32/23/372883223.db2.gz WJCBXSRZKLWXHM-OLZOCXBDSA-N 2 2 293.371 1.350 20 5 CDBDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCn1cc([N+](=O)[O-])cn1 ZINC000177308822 372883237 /nfs/dbraw/zinc/88/32/37/372883237.db2.gz WJCBXSRZKLWXHM-OLZOCXBDSA-N 2 2 293.371 1.350 20 5 CDBDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCn1cc([N+](=O)[O-])cn1 ZINC000177308822 372883246 /nfs/dbraw/zinc/88/32/46/372883246.db2.gz WJCBXSRZKLWXHM-OLZOCXBDSA-N 2 2 293.371 1.350 20 5 CDBDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCn1cc([N+](=O)[O-])cn1 ZINC000177308822 372883256 /nfs/dbraw/zinc/88/32/56/372883256.db2.gz WJCBXSRZKLWXHM-OLZOCXBDSA-N 2 2 293.371 1.350 20 5 CDBDLP O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000128222688 285111341 /nfs/dbraw/zinc/11/13/41/285111341.db2.gz FOKZNGBBBPLSNH-KGLIPLIRSA-N 2 2 275.352 1.964 20 5 CDBDLP O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000128222688 285111343 /nfs/dbraw/zinc/11/13/43/285111343.db2.gz FOKZNGBBBPLSNH-KGLIPLIRSA-N 2 2 275.352 1.964 20 5 CDBDLP C[NH+](C)CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000330708350 276791040 /nfs/dbraw/zinc/79/10/40/276791040.db2.gz VOUFVGOPBDXBIA-NEPJUHHUSA-N 2 2 281.360 1.426 20 5 CDBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000154309943 289201636 /nfs/dbraw/zinc/20/16/36/289201636.db2.gz UQTXMLKLYUMEND-DGCLKSJQSA-N 2 2 281.356 1.476 20 5 CDBDLP C[C@H](C[NH+]1CCCC1)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168968162 927592289 /nfs/dbraw/zinc/59/22/89/927592289.db2.gz XBLQZJSKCZAICP-FRRDWIJNSA-N 2 2 255.362 1.506 20 5 CDBDLP CC[N@H+](CCn1cc[nH+]c1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169049145 927666336 /nfs/dbraw/zinc/66/63/36/927666336.db2.gz VZXDBLBSXXZPKE-STQMWFEESA-N 2 2 266.345 1.650 20 5 CDBDLP CC[N@@H+](CCn1cc[nH+]c1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169049145 927666341 /nfs/dbraw/zinc/66/63/41/927666341.db2.gz VZXDBLBSXXZPKE-STQMWFEESA-N 2 2 266.345 1.650 20 5 CDBDLP CC[N@H+](CCn1cc[nH+]c1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169049142 927666998 /nfs/dbraw/zinc/66/69/98/927666998.db2.gz VZXDBLBSXXZPKE-CHWSQXEVSA-N 2 2 266.345 1.650 20 5 CDBDLP CC[N@@H+](CCn1cc[nH+]c1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169049142 927667003 /nfs/dbraw/zinc/66/70/03/927667003.db2.gz VZXDBLBSXXZPKE-CHWSQXEVSA-N 2 2 266.345 1.650 20 5 CDBDLP [NH3+]C[C@H]1CCC[N@@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001246906071 948511927 /nfs/dbraw/zinc/51/19/27/948511927.db2.gz CIRIUEGAIVERKH-KGLIPLIRSA-N 2 2 261.325 1.485 20 5 CDBDLP [NH3+]C[C@H]1CCC[N@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001246906071 948511930 /nfs/dbraw/zinc/51/19/30/948511930.db2.gz CIRIUEGAIVERKH-KGLIPLIRSA-N 2 2 261.325 1.485 20 5 CDBDLP C[N@@H+]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000573684138 361924196 /nfs/dbraw/zinc/92/41/96/361924196.db2.gz RJRXNXAUGDMOMM-YVARQFDVSA-N 2 2 290.367 1.183 20 5 CDBDLP C[N@H+]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000573684138 361924204 /nfs/dbraw/zinc/92/42/04/361924204.db2.gz RJRXNXAUGDMOMM-YVARQFDVSA-N 2 2 290.367 1.183 20 5 CDBDLP CCO[C@@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000593737127 342831187 /nfs/dbraw/zinc/83/11/87/342831187.db2.gz NMIAFSCHKXMECF-QMTHXVAHSA-N 2 2 297.330 1.530 20 5 CDBDLP CCO[C@@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000593737127 342831188 /nfs/dbraw/zinc/83/11/88/342831188.db2.gz NMIAFSCHKXMECF-QMTHXVAHSA-N 2 2 297.330 1.530 20 5 CDBDLP C[N@H+](C[C@H](O)C[NH2+]Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000312577155 350786274 /nfs/dbraw/zinc/78/62/74/350786274.db2.gz ABUCQTYCTKETEN-CQSZACIVSA-N 2 2 279.340 1.140 20 5 CDBDLP C[N@@H+](C[C@H](O)C[NH2+]Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000312577155 350786275 /nfs/dbraw/zinc/78/62/75/350786275.db2.gz ABUCQTYCTKETEN-CQSZACIVSA-N 2 2 279.340 1.140 20 5 CDBDLP C[C@@H]1C[C@@H](C)[N@H+](Cc2c([N+](=O)[O-])ncn2C)C[C@@H]1C[NH3+] ZINC000422636998 245146805 /nfs/dbraw/zinc/14/68/05/245146805.db2.gz NYZDSKQOGDVQID-MXWKQRLJSA-N 2 2 281.360 1.134 20 5 CDBDLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C[C@@H]1C[NH3+] ZINC000422636998 245146810 /nfs/dbraw/zinc/14/68/10/245146810.db2.gz NYZDSKQOGDVQID-MXWKQRLJSA-N 2 2 281.360 1.134 20 5 CDBDLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000358258331 375959168 /nfs/dbraw/zinc/95/91/68/375959168.db2.gz SXUXUVWNEVBUHP-RISCZKNCSA-N 2 2 279.340 1.312 20 5 CDBDLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000358258331 375959174 /nfs/dbraw/zinc/95/91/74/375959174.db2.gz SXUXUVWNEVBUHP-RISCZKNCSA-N 2 2 279.340 1.312 20 5 CDBDLP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000163233583 390178901 /nfs/dbraw/zinc/17/89/01/390178901.db2.gz KRLDFLWPOBXKJD-ZJUUUORDSA-N 2 2 267.304 1.903 20 5 CDBDLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000163233583 390178904 /nfs/dbraw/zinc/17/89/04/390178904.db2.gz KRLDFLWPOBXKJD-ZJUUUORDSA-N 2 2 267.304 1.903 20 5 CDBDLP O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)c1 ZINC000494445444 393233102 /nfs/dbraw/zinc/23/31/02/393233102.db2.gz QSQPTKAWYFGPEO-LBPRGKRZSA-N 2 2 272.308 1.896 20 5 CDBDLP C[NH2+]CC[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000423226490 397602860 /nfs/dbraw/zinc/60/28/60/397602860.db2.gz QWPYSZUVPANFCF-SNVBAGLBSA-N 2 2 280.328 1.121 20 5 CDBDLP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932177513 827091838 /nfs/dbraw/zinc/09/18/38/827091838.db2.gz AMUJOUQYWMTUPP-IUODEOHRSA-N 2 2 295.383 1.947 20 5 CDBDLP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932177513 827091859 /nfs/dbraw/zinc/09/18/59/827091859.db2.gz AMUJOUQYWMTUPP-IUODEOHRSA-N 2 2 295.383 1.947 20 5 CDBDLP COc1ccc(C[N@H+]2CC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000050249110 895579787 /nfs/dbraw/zinc/57/97/87/895579787.db2.gz MRJNKWMTDLQVRH-NSHDSACASA-N 2 2 265.313 1.384 20 5 CDBDLP COc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000050249110 895579780 /nfs/dbraw/zinc/57/97/80/895579780.db2.gz MRJNKWMTDLQVRH-NSHDSACASA-N 2 2 265.313 1.384 20 5 CDBDLP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886841624 930972231 /nfs/dbraw/zinc/97/22/31/930972231.db2.gz QWPICVCODWZTPW-ZJUUUORDSA-N 2 2 250.302 1.205 20 5 CDBDLP CC[N@H+](CC[NH3+])CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000600717539 342244325 /nfs/dbraw/zinc/24/43/25/342244325.db2.gz QOMXPKRAAJVGQW-UHFFFAOYSA-N 2 2 294.355 1.512 20 5 CDBDLP CC[N@@H+](CC[NH3+])CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000600717539 342244326 /nfs/dbraw/zinc/24/43/26/342244326.db2.gz QOMXPKRAAJVGQW-UHFFFAOYSA-N 2 2 294.355 1.512 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000107573334 349706650 /nfs/dbraw/zinc/70/66/50/349706650.db2.gz UCPLBNBAXTWASQ-RYUDHWBXSA-N 2 2 277.324 1.255 20 5 CDBDLP COc1cc(C[NH2+]C[C@H]([NH3+])C(C)C)c([N+](=O)[O-])cc1OC ZINC000414798985 241393280 /nfs/dbraw/zinc/39/32/80/241393280.db2.gz QUEILFTYRKOWNK-NSHDSACASA-N 2 2 297.355 1.685 20 5 CDBDLP C[NH+](C)CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000330708353 203140100 /nfs/dbraw/zinc/14/01/00/203140100.db2.gz VOUFVGOPBDXBIA-VXGBXAGGSA-N 2 2 281.360 1.426 20 5 CDBDLP COc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000113516265 374261229 /nfs/dbraw/zinc/26/12/29/374261229.db2.gz RIQPXILEUVQFAY-CYBMUJFWSA-N 2 2 293.367 1.987 20 5 CDBDLP COc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000113516265 374261234 /nfs/dbraw/zinc/26/12/34/374261234.db2.gz RIQPXILEUVQFAY-CYBMUJFWSA-N 2 2 293.367 1.987 20 5 CDBDLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000423017391 374368217 /nfs/dbraw/zinc/36/82/17/374368217.db2.gz WGORLJXDWQQPMO-JSGCOSHPSA-N 2 2 293.367 1.494 20 5 CDBDLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000131707699 375323812 /nfs/dbraw/zinc/32/38/12/375323812.db2.gz RLUARGDDCSJJHK-QWRGUYRKSA-N 2 2 292.339 1.202 20 5 CDBDLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000131707699 375323819 /nfs/dbraw/zinc/32/38/19/375323819.db2.gz RLUARGDDCSJJHK-QWRGUYRKSA-N 2 2 292.339 1.202 20 5 CDBDLP [NH3+]C[C@H]1C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCCO1 ZINC000415116541 391259985 /nfs/dbraw/zinc/25/99/85/391259985.db2.gz VYKILSYZPBDJGP-XSHSDMCLSA-N 2 2 291.351 1.658 20 5 CDBDLP [NH3+]C[C@H]1C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCCO1 ZINC000415116541 391259988 /nfs/dbraw/zinc/25/99/88/391259988.db2.gz VYKILSYZPBDJGP-XSHSDMCLSA-N 2 2 291.351 1.658 20 5 CDBDLP O=[N+]([O-])c1cc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)cs1 ZINC000494392961 393231803 /nfs/dbraw/zinc/23/18/03/393231803.db2.gz QLPAQDXFJWWVCG-JTQLQIEISA-N 2 2 278.337 1.957 20 5 CDBDLP COc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000261604215 140362228 /nfs/dbraw/zinc/36/22/28/140362228.db2.gz CLWCSGLFQQCJLM-CHWSQXEVSA-N 2 2 291.351 1.787 20 5 CDBDLP COc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000261604215 140362229 /nfs/dbraw/zinc/36/22/29/140362229.db2.gz CLWCSGLFQQCJLM-CHWSQXEVSA-N 2 2 291.351 1.787 20 5 CDBDLP C[NH2+]C[C@@H]1CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000123587521 277278768 /nfs/dbraw/zinc/27/87/68/277278768.db2.gz SIRAHBJUQGQJTN-AWEZNQCLSA-N 2 2 263.341 1.821 20 5 CDBDLP C[NH2+]C[C@@H]1CCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000123587521 277278769 /nfs/dbraw/zinc/27/87/69/277278769.db2.gz SIRAHBJUQGQJTN-AWEZNQCLSA-N 2 2 263.341 1.821 20 5 CDBDLP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@@H]2CCC[NH2+]C2)n1 ZINC000423189163 280377188 /nfs/dbraw/zinc/37/71/88/280377188.db2.gz MRLYJRRUBZJRKM-JHJVBQTASA-N 2 2 293.371 1.617 20 5 CDBDLP C[N@@H+]1CCC[C@H](C[NH2+]CC[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000905133060 626647331 /nfs/dbraw/zinc/64/73/31/626647331.db2.gz OTWUDNPJIBABAE-DGCLKSJQSA-N 2 2 283.397 1.997 20 5 CDBDLP C[N@H+]1CCC[C@H](C[NH2+]CC[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000905133060 626647332 /nfs/dbraw/zinc/64/73/32/626647332.db2.gz OTWUDNPJIBABAE-DGCLKSJQSA-N 2 2 283.397 1.997 20 5 CDBDLP C[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@H](C[NH3+])C1 ZINC000843122939 833305395 /nfs/dbraw/zinc/30/53/95/833305395.db2.gz XKXAYKVWEAWWBH-LLVKDONJSA-N 2 2 298.774 1.323 20 5 CDBDLP C[N@H+]1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@H](C[NH3+])C1 ZINC000843122939 833305399 /nfs/dbraw/zinc/30/53/99/833305399.db2.gz XKXAYKVWEAWWBH-LLVKDONJSA-N 2 2 298.774 1.323 20 5 CDBDLP O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C3CCOCC3)C2)C1 ZINC001168991234 927629668 /nfs/dbraw/zinc/62/96/68/927629668.db2.gz FYJNJCYDUYQDGL-RDBSUJKOSA-N 2 2 297.399 1.275 20 5 CDBDLP O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C3CCOCC3)C2)C1 ZINC001168991234 927629673 /nfs/dbraw/zinc/62/96/73/927629673.db2.gz FYJNJCYDUYQDGL-RDBSUJKOSA-N 2 2 297.399 1.275 20 5 CDBDLP C[C@@]1([NH3+])CC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001246533962 931622042 /nfs/dbraw/zinc/62/20/42/931622042.db2.gz FCNVKNGBJSKEHV-UONOGXRCSA-N 2 2 261.325 1.485 20 5 CDBDLP C[C@@]1([NH3+])CC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001246533962 931622049 /nfs/dbraw/zinc/62/20/49/931622049.db2.gz FCNVKNGBJSKEHV-UONOGXRCSA-N 2 2 261.325 1.485 20 5 CDBDLP Nc1nc(-n2c[nH+]cc2C2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC001155058363 937628945 /nfs/dbraw/zinc/62/89/45/937628945.db2.gz YZTJOEKSGFAUBD-UHFFFAOYSA-N 2 2 288.311 1.225 20 5 CDBDLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CCc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000931279402 933529972 /nfs/dbraw/zinc/52/99/72/933529972.db2.gz HWVFTNNYAPUHCR-FICVDOATSA-N 2 2 275.352 1.629 20 5 CDBDLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000931279402 933529983 /nfs/dbraw/zinc/52/99/83/933529983.db2.gz HWVFTNNYAPUHCR-FICVDOATSA-N 2 2 275.352 1.629 20 5 CDBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1C[NH+](C)C1 ZINC001254543544 947519195 /nfs/dbraw/zinc/51/91/95/947519195.db2.gz SSRDVIQAFTXQRQ-LLVKDONJSA-N 2 2 263.341 1.677 20 5 CDBDLP CC[N@H+](CC[NH3+])CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000600717931 342244521 /nfs/dbraw/zinc/24/45/21/342244521.db2.gz UIVBKXAIYLHEET-UHFFFAOYSA-N 2 2 280.328 1.204 20 5 CDBDLP CC[N@@H+](CC[NH3+])CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000600717931 342244522 /nfs/dbraw/zinc/24/45/22/342244522.db2.gz UIVBKXAIYLHEET-UHFFFAOYSA-N 2 2 280.328 1.204 20 5 CDBDLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000596107155 343228843 /nfs/dbraw/zinc/22/88/43/343228843.db2.gz SBBKRTUUHLWEGW-GHMZBOCLSA-N 2 2 294.355 1.509 20 5 CDBDLP O=[N+]([O-])c1ccccc1C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000516528833 363132342 /nfs/dbraw/zinc/13/23/42/363132342.db2.gz UPOOCJJHDLAXPB-UHFFFAOYSA-N 2 2 287.323 1.640 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000168627891 364031343 /nfs/dbraw/zinc/03/13/43/364031343.db2.gz ZDSSAJHIAAOYEV-GHMZBOCLSA-N 2 2 279.340 1.773 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000168627891 364031347 /nfs/dbraw/zinc/03/13/47/364031347.db2.gz ZDSSAJHIAAOYEV-GHMZBOCLSA-N 2 2 279.340 1.773 20 5 CDBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420350672 244124973 /nfs/dbraw/zinc/12/49/73/244124973.db2.gz HPHHEOGAQPOETP-ZDUSSCGKSA-N 2 2 297.355 1.133 20 5 CDBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420350672 244124977 /nfs/dbraw/zinc/12/49/77/244124977.db2.gz HPHHEOGAQPOETP-ZDUSSCGKSA-N 2 2 297.355 1.133 20 5 CDBDLP C[C@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000430969167 374662336 /nfs/dbraw/zinc/66/23/36/374662336.db2.gz CCTUFABGCGVHPI-JOYOIKCWSA-N 2 2 267.304 1.903 20 5 CDBDLP C[C@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000430969167 374662349 /nfs/dbraw/zinc/66/23/49/374662349.db2.gz CCTUFABGCGVHPI-JOYOIKCWSA-N 2 2 267.304 1.903 20 5 CDBDLP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000305150277 375559370 /nfs/dbraw/zinc/55/93/70/375559370.db2.gz TWQHZTYIROBAAP-GWCFXTLKSA-N 2 2 267.329 1.168 20 5 CDBDLP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000415092529 391257026 /nfs/dbraw/zinc/25/70/26/391257026.db2.gz GIXLNBSLAQWJNI-TZMCWYRMSA-N 2 2 293.367 1.494 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000129146539 391637131 /nfs/dbraw/zinc/63/71/31/391637131.db2.gz XFUISRLVXLLZQS-JQWIXIFHSA-N 2 2 279.340 1.915 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000129146539 391637137 /nfs/dbraw/zinc/63/71/37/391637137.db2.gz XFUISRLVXLLZQS-JQWIXIFHSA-N 2 2 279.340 1.915 20 5 CDBDLP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CC[NH2+]C1 ZINC000423208352 397602922 /nfs/dbraw/zinc/60/29/22/397602922.db2.gz TVDSOPMRXGGVOP-PWSUYJOCSA-N 2 2 292.339 1.263 20 5 CDBDLP C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC(C)(C)C[NH3+] ZINC000093874163 536466803 /nfs/dbraw/zinc/46/68/03/536466803.db2.gz IWLUWRXCPHRFIJ-UHFFFAOYSA-N 2 2 294.355 1.110 20 5 CDBDLP C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC(C)(C)C[NH3+] ZINC000093874163 536466804 /nfs/dbraw/zinc/46/68/04/536466804.db2.gz IWLUWRXCPHRFIJ-UHFFFAOYSA-N 2 2 294.355 1.110 20 5 CDBDLP O=[N+]([O-])CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000930060169 632510826 /nfs/dbraw/zinc/51/08/26/632510826.db2.gz GMICSHJNTAXTGO-AAEUAGOBSA-N 2 2 253.346 1.212 20 5 CDBDLP O=[N+]([O-])CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000930060169 632510829 /nfs/dbraw/zinc/51/08/29/632510829.db2.gz GMICSHJNTAXTGO-AAEUAGOBSA-N 2 2 253.346 1.212 20 5 CDBDLP O=[N+]([O-])CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000930060169 632510832 /nfs/dbraw/zinc/51/08/32/632510832.db2.gz GMICSHJNTAXTGO-AAEUAGOBSA-N 2 2 253.346 1.212 20 5 CDBDLP O=[N+]([O-])CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000930060169 632510838 /nfs/dbraw/zinc/51/08/38/632510838.db2.gz GMICSHJNTAXTGO-AAEUAGOBSA-N 2 2 253.346 1.212 20 5 CDBDLP CC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000158612359 1178225108 /nfs/dbraw/zinc/22/51/08/1178225108.db2.gz KEZAMEPIXLHPOM-GJZGRUSLSA-N 2 2 293.367 1.702 20 5 CDBDLP CC[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000158612359 1178225111 /nfs/dbraw/zinc/22/51/11/1178225111.db2.gz KEZAMEPIXLHPOM-GJZGRUSLSA-N 2 2 293.367 1.702 20 5 CDBDLP O=[N+]([O-])c1ccc(C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)cc1 ZINC000328470053 838879259 /nfs/dbraw/zinc/87/92/59/838879259.db2.gz ZGTWCJCBGHBYIZ-RCZQDCHWSA-N 2 2 273.336 1.681 20 5 CDBDLP Cc1[nH+]ccn1CCC[N@@H+](C)Cn1cc([N+](=O)[O-])cn1 ZINC000162841414 842931117 /nfs/dbraw/zinc/93/11/17/842931117.db2.gz XTTVITHWVONKOQ-UHFFFAOYSA-N 2 2 278.316 1.276 20 5 CDBDLP Cc1[nH+]ccn1CCC[N@H+](C)Cn1cc([N+](=O)[O-])cn1 ZINC000162841414 842931135 /nfs/dbraw/zinc/93/11/35/842931135.db2.gz XTTVITHWVONKOQ-UHFFFAOYSA-N 2 2 278.316 1.276 20 5 CDBDLP C[C@H](C[NH+]1CCCC1)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168968163 927592496 /nfs/dbraw/zinc/59/24/96/927592496.db2.gz XBLQZJSKCZAICP-JHJVBQTASA-N 2 2 255.362 1.506 20 5 CDBDLP O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)C2 ZINC001246345404 948120740 /nfs/dbraw/zinc/12/07/40/948120740.db2.gz ANGJIZLUZGFDLS-OLZOCXBDSA-N 2 2 261.325 1.404 20 5 CDBDLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000601329893 342554657 /nfs/dbraw/zinc/55/46/57/342554657.db2.gz OEBUBZSMIATTGM-MNOVXSKESA-N 2 2 265.313 1.395 20 5 CDBDLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000601329893 342554658 /nfs/dbraw/zinc/55/46/58/342554658.db2.gz OEBUBZSMIATTGM-MNOVXSKESA-N 2 2 265.313 1.395 20 5 CDBDLP O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)c1 ZINC000591281868 342624256 /nfs/dbraw/zinc/62/42/56/342624256.db2.gz QFRMUSLHDMXVCW-QWRGUYRKSA-N 2 2 253.277 1.384 20 5 CDBDLP COc1ccc(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000129096029 345261921 /nfs/dbraw/zinc/26/19/21/345261921.db2.gz MQXPEVGDGIJVPV-CMPLNLGQSA-N 2 2 279.340 1.915 20 5 CDBDLP COc1ccc(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000129096029 345261925 /nfs/dbraw/zinc/26/19/25/345261925.db2.gz MQXPEVGDGIJVPV-CMPLNLGQSA-N 2 2 279.340 1.915 20 5 CDBDLP Cc1c([C@@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cccc1[N+](=O)[O-] ZINC000423442154 374381296 /nfs/dbraw/zinc/38/12/96/374381296.db2.gz VATZXFQRCGKRCL-WUWHUORYSA-N 2 2 261.325 1.772 20 5 CDBDLP CC[NH+]1CCC([N@H+](C)CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000358280534 375960813 /nfs/dbraw/zinc/96/08/13/375960813.db2.gz YVTLWYMTFSBVMB-UHFFFAOYSA-N 2 2 281.360 1.207 20 5 CDBDLP CC[NH+]1CCC([N@@H+](C)CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000358280534 375960818 /nfs/dbraw/zinc/96/08/18/375960818.db2.gz YVTLWYMTFSBVMB-UHFFFAOYSA-N 2 2 281.360 1.207 20 5 CDBDLP CC[N@H+](CCO)CC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000184547153 391526548 /nfs/dbraw/zinc/52/65/48/391526548.db2.gz PCOWRPYMYRMAFH-UHFFFAOYSA-N 2 2 281.356 1.307 20 5 CDBDLP CC[N@@H+](CCO)CC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000184547153 391526555 /nfs/dbraw/zinc/52/65/55/391526555.db2.gz PCOWRPYMYRMAFH-UHFFFAOYSA-N 2 2 281.356 1.307 20 5 CDBDLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000442762041 392492049 /nfs/dbraw/zinc/49/20/49/392492049.db2.gz ZPMIZKGIDRBBEV-VHSXEESVSA-N 2 2 290.323 1.905 20 5 CDBDLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000442762041 392492058 /nfs/dbraw/zinc/49/20/58/392492058.db2.gz ZPMIZKGIDRBBEV-VHSXEESVSA-N 2 2 290.323 1.905 20 5 CDBDLP COc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1[N+](=O)[O-] ZINC000251645137 140310640 /nfs/dbraw/zinc/31/06/40/140310640.db2.gz GCILFOASLOFDHN-ZYHUDNBSSA-N 2 2 279.340 1.773 20 5 CDBDLP COc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1[N+](=O)[O-] ZINC000251645137 140310641 /nfs/dbraw/zinc/31/06/41/140310641.db2.gz GCILFOASLOFDHN-ZYHUDNBSSA-N 2 2 279.340 1.773 20 5 CDBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCC[NH2+]C1 ZINC000423197382 397602205 /nfs/dbraw/zinc/60/22/05/397602205.db2.gz ZERNPAOSDGRJKV-AAEUAGOBSA-N 2 2 263.341 1.867 20 5 CDBDLP O=[N+]([O-])c1ccccc1OCC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359280769 158196706 /nfs/dbraw/zinc/19/67/06/158196706.db2.gz IEMBOVALWKNXGX-VXGBXAGGSA-N 2 2 277.324 1.125 20 5 CDBDLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332184707 277078984 /nfs/dbraw/zinc/07/89/84/277078984.db2.gz XNMQIPSBSDYCOA-ZDUSSCGKSA-N 2 2 290.367 1.832 20 5 CDBDLP C[N@H+]1CCC[C@H]1CC[NH+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332184707 277078985 /nfs/dbraw/zinc/07/89/85/277078985.db2.gz XNMQIPSBSDYCOA-ZDUSSCGKSA-N 2 2 290.367 1.832 20 5 CDBDLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332184707 277078987 /nfs/dbraw/zinc/07/89/87/277078987.db2.gz XNMQIPSBSDYCOA-ZDUSSCGKSA-N 2 2 290.367 1.832 20 5 CDBDLP C[NH+]1CCC[C@H]1CC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332184707 277078988 /nfs/dbraw/zinc/07/89/88/277078988.db2.gz XNMQIPSBSDYCOA-ZDUSSCGKSA-N 2 2 290.367 1.832 20 5 CDBDLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000570354186 294223130 /nfs/dbraw/zinc/22/31/30/294223130.db2.gz VJFMKYGYXBXGFH-OCCSQVGLSA-N 2 2 295.383 1.866 20 5 CDBDLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000570354186 294223131 /nfs/dbraw/zinc/22/31/31/294223131.db2.gz VJFMKYGYXBXGFH-OCCSQVGLSA-N 2 2 295.383 1.866 20 5 CDBDLP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]CC[N+](=O)[O-])c2)CCO1 ZINC000905060112 626609913 /nfs/dbraw/zinc/60/99/13/626609913.db2.gz KIOKQNLXTVAZMM-CYBMUJFWSA-N 2 2 293.367 1.274 20 5 CDBDLP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]CC[N+](=O)[O-])c2)CCO1 ZINC000905060112 626609914 /nfs/dbraw/zinc/60/99/14/626609914.db2.gz KIOKQNLXTVAZMM-CYBMUJFWSA-N 2 2 293.367 1.274 20 5 CDBDLP [NH3+]C1CC([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000906509249 627297795 /nfs/dbraw/zinc/29/77/95/627297795.db2.gz CDNDNYMOAOXGRI-UHFFFAOYSA-N 2 2 255.705 1.828 20 5 CDBDLP O=[N+]([O-])c1cnc(-n2c[nH+]cc2C2CC[NH2+]CC2)c(F)c1 ZINC001155057193 937629176 /nfs/dbraw/zinc/62/91/76/937629176.db2.gz AUKCFPJFMRXVEP-UHFFFAOYSA-N 2 2 291.286 1.782 20 5 CDBDLP C[C@H](C[NH+](C)C)[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254573007 947530078 /nfs/dbraw/zinc/53/00/78/947530078.db2.gz VFMKPIHXRLOTND-ZWNOBZJWSA-N 2 2 263.341 1.602 20 5 CDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)CCC[NH3+] ZINC000592473864 342698777 /nfs/dbraw/zinc/69/87/77/342698777.db2.gz SARVXQJOZGUPDH-UHFFFAOYSA-N 2 2 280.328 1.122 20 5 CDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)CCC[NH3+] ZINC000592473864 342698778 /nfs/dbraw/zinc/69/87/78/342698778.db2.gz SARVXQJOZGUPDH-UHFFFAOYSA-N 2 2 280.328 1.122 20 5 CDBDLP CC[N@H+](CC[NH3+])CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000600717325 342244391 /nfs/dbraw/zinc/24/43/91/342244391.db2.gz QGLUIHFQALHCFZ-UHFFFAOYSA-N 2 2 294.355 1.512 20 5 CDBDLP CC[N@@H+](CC[NH3+])CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000600717325 342244392 /nfs/dbraw/zinc/24/43/92/342244392.db2.gz QGLUIHFQALHCFZ-UHFFFAOYSA-N 2 2 294.355 1.512 20 5 CDBDLP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC[NH+](C)C ZINC000299345390 358877573 /nfs/dbraw/zinc/87/75/73/358877573.db2.gz LYFCYLYMBRVSEN-NSHDSACASA-N 2 2 294.355 1.463 20 5 CDBDLP CC[N@H+](C)C[C@@H]1CC[NH+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174881177 364587813 /nfs/dbraw/zinc/58/78/13/364587813.db2.gz DSCMKHDIYXMHPQ-LBPRGKRZSA-N 2 2 281.360 1.065 20 5 CDBDLP CC[N@@H+](C)C[C@@H]1CC[NH+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174881177 364587819 /nfs/dbraw/zinc/58/78/19/364587819.db2.gz DSCMKHDIYXMHPQ-LBPRGKRZSA-N 2 2 281.360 1.065 20 5 CDBDLP CC[NH+](C)C[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174881177 364587822 /nfs/dbraw/zinc/58/78/22/364587822.db2.gz DSCMKHDIYXMHPQ-LBPRGKRZSA-N 2 2 281.360 1.065 20 5 CDBDLP CC[NH+](C)C[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174881177 364587827 /nfs/dbraw/zinc/58/78/27/364587827.db2.gz DSCMKHDIYXMHPQ-LBPRGKRZSA-N 2 2 281.360 1.065 20 5 CDBDLP C[NH2+]C[C@H](C)C[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000414831719 370479327 /nfs/dbraw/zinc/47/93/27/370479327.db2.gz DMSBSPJFYRCXIB-JTQLQIEISA-N 2 2 297.355 1.557 20 5 CDBDLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1cccc([N+](=O)[O-])c1 ZINC000423527563 374388718 /nfs/dbraw/zinc/38/87/18/374388718.db2.gz RWXCVSLYULSYSW-ZWNOBZJWSA-N 2 2 265.313 1.234 20 5 CDBDLP C[C@@](C[NH3+])([NH2+]Cc1csc([N+](=O)[O-])c1)C1CC1 ZINC000430563486 393100537 /nfs/dbraw/zinc/10/05/37/393100537.db2.gz WEQWUIYNEOSSRB-NSHDSACASA-N 2 2 255.343 1.873 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261707763 140378468 /nfs/dbraw/zinc/37/84/68/140378468.db2.gz OYDYZTNRPXDQMA-DGCLKSJQSA-N 2 2 291.351 1.645 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261707763 140378470 /nfs/dbraw/zinc/37/84/70/140378470.db2.gz OYDYZTNRPXDQMA-DGCLKSJQSA-N 2 2 291.351 1.645 20 5 CDBDLP O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c(F)c1 ZINC000261843228 140397937 /nfs/dbraw/zinc/39/79/37/140397937.db2.gz VYHATJOITMESDJ-CMPLNLGQSA-N 2 2 279.315 1.775 20 5 CDBDLP O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c(F)c1 ZINC000261843228 140397939 /nfs/dbraw/zinc/39/79/39/140397939.db2.gz VYHATJOITMESDJ-CMPLNLGQSA-N 2 2 279.315 1.775 20 5 CDBDLP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000570354187 294223085 /nfs/dbraw/zinc/22/30/85/294223085.db2.gz VJFMKYGYXBXGFH-TZMCWYRMSA-N 2 2 295.383 1.866 20 5 CDBDLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000570354187 294223087 /nfs/dbraw/zinc/22/30/87/294223087.db2.gz VJFMKYGYXBXGFH-TZMCWYRMSA-N 2 2 295.383 1.866 20 5 CDBDLP O=[N+]([O-])c1cnn(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000738159444 576045020 /nfs/dbraw/zinc/04/50/20/576045020.db2.gz SRZLYIZVOXRJSN-LLVKDONJSA-N 2 2 276.300 1.282 20 5 CDBDLP O=[N+]([O-])c1cnn(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000738159444 576045022 /nfs/dbraw/zinc/04/50/22/576045022.db2.gz SRZLYIZVOXRJSN-LLVKDONJSA-N 2 2 276.300 1.282 20 5 CDBDLP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000883442042 698371247 /nfs/dbraw/zinc/37/12/47/698371247.db2.gz DDEJZJDGWMFWIW-NEPJUHHUSA-N 2 2 267.304 1.949 20 5 CDBDLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923373704 849012570 /nfs/dbraw/zinc/01/25/70/849012570.db2.gz OZRFVHCVRKMPOG-HKCMKHECSA-N 2 2 293.367 1.604 20 5 CDBDLP O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000595903677 343188201 /nfs/dbraw/zinc/18/82/01/343188201.db2.gz ZSTCMLGBWPGRLW-UHFFFAOYSA-N 2 2 299.758 1.452 20 5 CDBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000545161482 362693515 /nfs/dbraw/zinc/69/35/15/362693515.db2.gz XABBMTXZOSCVER-WFASDCNBSA-N 2 2 293.367 1.620 20 5 CDBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000545161482 362693520 /nfs/dbraw/zinc/69/35/20/362693520.db2.gz XABBMTXZOSCVER-WFASDCNBSA-N 2 2 293.367 1.620 20 5 CDBDLP CC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000330889416 203357987 /nfs/dbraw/zinc/35/79/87/203357987.db2.gz VEQMYJRFEGSETG-GJZGRUSLSA-N 2 2 293.367 1.702 20 5 CDBDLP CC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000330889416 203357990 /nfs/dbraw/zinc/35/79/90/203357990.db2.gz VEQMYJRFEGSETG-GJZGRUSLSA-N 2 2 293.367 1.702 20 5 CDBDLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1cccc([N+](=O)[O-])c1 ZINC000423527560 374387798 /nfs/dbraw/zinc/38/77/98/374387798.db2.gz RWXCVSLYULSYSW-GWCFXTLKSA-N 2 2 265.313 1.234 20 5 CDBDLP O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000261663023 378279165 /nfs/dbraw/zinc/27/91/65/378279165.db2.gz ZIODTONVABTXJE-GXTWGEPZSA-N 2 2 261.325 1.779 20 5 CDBDLP O=[N+]([O-])c1cccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000261663023 378279169 /nfs/dbraw/zinc/27/91/69/378279169.db2.gz ZIODTONVABTXJE-GXTWGEPZSA-N 2 2 261.325 1.779 20 5 CDBDLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000442762044 392492521 /nfs/dbraw/zinc/49/25/21/392492521.db2.gz ZPMIZKGIDRBBEV-ZJUUUORDSA-N 2 2 290.323 1.905 20 5 CDBDLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000442762044 392492528 /nfs/dbraw/zinc/49/25/28/392492528.db2.gz ZPMIZKGIDRBBEV-ZJUUUORDSA-N 2 2 290.323 1.905 20 5 CDBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430935615 393105488 /nfs/dbraw/zinc/10/54/88/393105488.db2.gz UMOPNSWNOPUXMI-MNOVXSKESA-N 2 2 292.339 1.202 20 5 CDBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430935615 393105491 /nfs/dbraw/zinc/10/54/91/393105491.db2.gz UMOPNSWNOPUXMI-MNOVXSKESA-N 2 2 292.339 1.202 20 5 CDBDLP COc1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000261598893 140360835 /nfs/dbraw/zinc/36/08/35/140360835.db2.gz BAHGSBPVWGMSNH-OLZOCXBDSA-N 2 2 291.351 1.645 20 5 CDBDLP COc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000261598893 140360836 /nfs/dbraw/zinc/36/08/36/140360836.db2.gz BAHGSBPVWGMSNH-OLZOCXBDSA-N 2 2 291.351 1.645 20 5 CDBDLP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000351864403 274240777 /nfs/dbraw/zinc/24/07/77/274240777.db2.gz XONJODUHWAFYMI-ZJUUUORDSA-N 2 2 267.304 1.903 20 5 CDBDLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000351864403 274240778 /nfs/dbraw/zinc/24/07/78/274240778.db2.gz XONJODUHWAFYMI-ZJUUUORDSA-N 2 2 267.304 1.903 20 5 CDBDLP COc1ccc(C[NH2+]C[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000414789838 536892853 /nfs/dbraw/zinc/89/28/53/536892853.db2.gz FWJYYKRWYBGDHL-LLVKDONJSA-N 2 2 267.329 1.676 20 5 CDBDLP [NH3+]C[C@@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001246506410 1164245275 /nfs/dbraw/zinc/24/52/75/1164245275.db2.gz HCEYNTKAZLBHMB-IACUBPJLSA-N 2 2 263.341 1.721 20 5 CDBDLP O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000776271406 711787252 /nfs/dbraw/zinc/78/72/52/711787252.db2.gz AQHZWJSMTVARCD-CQSZACIVSA-N 2 2 290.323 1.505 20 5 CDBDLP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1C[NH+](C)C1 ZINC001173218780 912300917 /nfs/dbraw/zinc/30/09/17/912300917.db2.gz MDALREADQCWDHO-NSHDSACASA-N 2 2 263.341 1.677 20 5 CDBDLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000601329892 342554690 /nfs/dbraw/zinc/55/46/90/342554690.db2.gz OEBUBZSMIATTGM-GHMZBOCLSA-N 2 2 265.313 1.395 20 5 CDBDLP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000601329892 342554691 /nfs/dbraw/zinc/55/46/91/342554691.db2.gz OEBUBZSMIATTGM-GHMZBOCLSA-N 2 2 265.313 1.395 20 5 CDBDLP C[C@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000593726445 342829298 /nfs/dbraw/zinc/82/92/98/342829298.db2.gz HZERAIGWLOXVOX-CMPLNLGQSA-N 2 2 279.340 1.717 20 5 CDBDLP C[C@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000593726445 342829299 /nfs/dbraw/zinc/82/92/99/342829299.db2.gz HZERAIGWLOXVOX-CMPLNLGQSA-N 2 2 279.340 1.717 20 5 CDBDLP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H](O)C[NH+](C)C ZINC000595019573 342995814 /nfs/dbraw/zinc/99/58/14/342995814.db2.gz RJUUKHFFNICSER-PWSUYJOCSA-N 2 2 297.355 1.177 20 5 CDBDLP Cc1noc(C[N@H+](C)CCCn2cc[nH+]c2C)c1[N+](=O)[O-] ZINC000595389092 343053100 /nfs/dbraw/zinc/05/31/00/343053100.db2.gz KOMOOUQJMAKPJX-UHFFFAOYSA-N 2 2 293.327 1.918 20 5 CDBDLP Cc1noc(C[N@@H+](C)CCCn2cc[nH+]c2C)c1[N+](=O)[O-] ZINC000595389092 343053101 /nfs/dbraw/zinc/05/31/01/343053101.db2.gz KOMOOUQJMAKPJX-UHFFFAOYSA-N 2 2 293.327 1.918 20 5 CDBDLP O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000112839637 366160175 /nfs/dbraw/zinc/16/01/75/366160175.db2.gz IEHVBBOTWJJUCH-ZIAGYGMSSA-N 2 2 291.351 1.548 20 5 CDBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1c[nH+]c(C)n1C ZINC000566497578 357966539 /nfs/dbraw/zinc/96/65/39/357966539.db2.gz ZFWYJOGHNXJSRC-UHFFFAOYSA-N 2 2 290.323 1.935 20 5 CDBDLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000423506507 374385088 /nfs/dbraw/zinc/38/50/88/374385088.db2.gz HATZEQORPVVGGR-BXUZGUMPSA-N 2 2 279.340 1.624 20 5 CDBDLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000163233468 390178951 /nfs/dbraw/zinc/17/89/51/390178951.db2.gz KRLDFLWPOBXKJD-UWVGGRQHSA-N 2 2 267.304 1.903 20 5 CDBDLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000163233468 390178954 /nfs/dbraw/zinc/17/89/54/390178954.db2.gz KRLDFLWPOBXKJD-UWVGGRQHSA-N 2 2 267.304 1.903 20 5 CDBDLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000261574361 140351955 /nfs/dbraw/zinc/35/19/55/140351955.db2.gz AZVBKBMFLMRJLN-ZJUUUORDSA-N 2 2 267.304 1.903 20 5 CDBDLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000261574361 140351957 /nfs/dbraw/zinc/35/19/57/140351957.db2.gz AZVBKBMFLMRJLN-ZJUUUORDSA-N 2 2 267.304 1.903 20 5 CDBDLP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000579494191 324206999 /nfs/dbraw/zinc/20/69/99/324206999.db2.gz GPACXNCDOVQPQY-DZGCQCFKSA-N 2 2 291.351 1.238 20 5 CDBDLP C[N@H+]1CC[C@@](O)(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000579494191 324207001 /nfs/dbraw/zinc/20/70/01/324207001.db2.gz GPACXNCDOVQPQY-DZGCQCFKSA-N 2 2 291.351 1.238 20 5 CDBDLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]CC[N+](=O)[O-])CC1 ZINC000905182108 626664822 /nfs/dbraw/zinc/66/48/22/626664822.db2.gz WREZDMRCUNEIDC-GFCCVEGCSA-N 2 2 278.356 1.473 20 5 CDBDLP O=[N+]([O-])C[C@@H]1CC[C@H](n2cc[nH+]c2[C@H]2CCC[NH2+]C2)C1 ZINC001169035997 927643832 /nfs/dbraw/zinc/64/38/32/927643832.db2.gz FAJRFFBOEVWIDS-AGIUHOORSA-N 2 2 278.356 1.968 20 5 CDBDLP Cc1[nH]c(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)[nH+]c1C ZINC000862366037 929403816 /nfs/dbraw/zinc/40/38/16/929403816.db2.gz BDCJWGMPEGFBDA-UHFFFAOYSA-N 2 2 289.339 1.900 20 5 CDBDLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000925596661 932911897 /nfs/dbraw/zinc/91/18/97/932911897.db2.gz KSPGGWLGQNESFH-SMDDNHRTSA-N 2 2 279.340 1.704 20 5 CDBDLP Cc1ccnc(N[C@]2(C[NH3+])C[NH+]3CCC2CC3)c1[N+](=O)[O-] ZINC001160510084 938792004 /nfs/dbraw/zinc/79/20/04/938792004.db2.gz FSOCBGMOYOILTC-CQSZACIVSA-N 2 2 291.355 1.133 20 5 CDBDLP [NH3+][C@@H]1CC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC[C@H]1F ZINC001246568762 948288182 /nfs/dbraw/zinc/28/81/82/948288182.db2.gz AYWFSTOODOXAEO-RRFJBIMHSA-N 2 2 293.342 1.823 20 5 CDBDLP [NH3+][C@@H]1CC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC[C@H]1F ZINC001246568762 948288193 /nfs/dbraw/zinc/28/81/93/948288193.db2.gz AYWFSTOODOXAEO-RRFJBIMHSA-N 2 2 293.342 1.823 20 5 CDBDLP COc1ccc(C[NH+]2CCC([NH3+])CC2)cc1[N+](=O)[O-] ZINC000036754060 362944624 /nfs/dbraw/zinc/94/46/24/362944624.db2.gz FURRVSBSCAZTOA-UHFFFAOYSA-N 2 2 265.313 1.527 20 5 CDBDLP O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000174871564 364586709 /nfs/dbraw/zinc/58/67/09/364586709.db2.gz VYZPDQIFJIZFKW-ZDUSSCGKSA-N 2 2 293.371 1.209 20 5 CDBDLP O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000174871564 364586716 /nfs/dbraw/zinc/58/67/16/364586716.db2.gz VYZPDQIFJIZFKW-ZDUSSCGKSA-N 2 2 293.371 1.209 20 5 CDBDLP [NH3+]C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000414798488 241394338 /nfs/dbraw/zinc/39/43/38/241394338.db2.gz JIWHYUHXJQHTBO-GFCCVEGCSA-N 2 2 253.277 1.561 20 5 CDBDLP COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000422949286 374364826 /nfs/dbraw/zinc/36/48/26/374364826.db2.gz UUNQORMQDXQFGP-JQWIXIFHSA-N 2 2 279.340 1.834 20 5 CDBDLP CC[NH+]1CCC([N@H+](C)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000330965858 374877459 /nfs/dbraw/zinc/87/74/59/374877459.db2.gz HQIJLYTZSIMEAS-UHFFFAOYSA-N 2 2 281.360 1.207 20 5 CDBDLP CC[NH+]1CCC([N@@H+](C)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000330965858 374877467 /nfs/dbraw/zinc/87/74/67/374877467.db2.gz HQIJLYTZSIMEAS-UHFFFAOYSA-N 2 2 281.360 1.207 20 5 CDBDLP C[C@@H]1C[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000251839756 140313059 /nfs/dbraw/zinc/31/30/59/140313059.db2.gz QISNQWFADVFCID-BXKDBHETSA-N 2 2 267.304 1.903 20 5 CDBDLP C[C@@H]1C[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000251839756 140313060 /nfs/dbraw/zinc/31/30/60/140313060.db2.gz QISNQWFADVFCID-BXKDBHETSA-N 2 2 267.304 1.903 20 5 CDBDLP [NH3+]C[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000261590903 140359460 /nfs/dbraw/zinc/35/94/60/140359460.db2.gz LSBOGGRBQOCCKM-JTQLQIEISA-N 2 2 267.304 1.905 20 5 CDBDLP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000261590903 140359461 /nfs/dbraw/zinc/35/94/61/140359461.db2.gz LSBOGGRBQOCCKM-JTQLQIEISA-N 2 2 267.304 1.905 20 5 CDBDLP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000261597939 140361723 /nfs/dbraw/zinc/36/17/23/140361723.db2.gz PDUKYIPNQQMESV-SNVBAGLBSA-N 2 2 267.304 1.775 20 5 CDBDLP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000261597939 140361724 /nfs/dbraw/zinc/36/17/24/140361724.db2.gz PDUKYIPNQQMESV-SNVBAGLBSA-N 2 2 267.304 1.775 20 5 CDBDLP COc1ccc(OCC[N@H+](C)[C@H](C)C[NH3+])c([N+](=O)[O-])c1 ZINC000430943038 274116109 /nfs/dbraw/zinc/11/61/09/274116109.db2.gz OAESDFNUMBMPKG-SNVBAGLBSA-N 2 2 283.328 1.261 20 5 CDBDLP COc1ccc(OCC[N@@H+](C)[C@H](C)C[NH3+])c([N+](=O)[O-])c1 ZINC000430943038 274116111 /nfs/dbraw/zinc/11/61/11/274116111.db2.gz OAESDFNUMBMPKG-SNVBAGLBSA-N 2 2 283.328 1.261 20 5 CDBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](C)C[NH2+]C ZINC000414848418 276377021 /nfs/dbraw/zinc/37/70/21/276377021.db2.gz WYIRJTFEVBQAKS-LLVKDONJSA-N 2 2 281.356 1.939 20 5 CDBDLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000133889811 278295216 /nfs/dbraw/zinc/29/52/16/278295216.db2.gz JTDKSDUMBGFAJS-JSGCOSHPSA-N 2 2 293.367 1.494 20 5 CDBDLP Cn1c[nH+]cc1CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000809736174 1163070486 /nfs/dbraw/zinc/07/04/86/1163070486.db2.gz IPKUJESZYAOJSO-UHFFFAOYSA-N 2 2 275.312 1.294 20 5 CDBDLP CCCC[N@H+](C)CC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168968453 927592156 /nfs/dbraw/zinc/59/21/56/927592156.db2.gz ZFOZCPISLYGHMI-CHWSQXEVSA-N 2 2 257.378 1.753 20 5 CDBDLP CCCC[N@@H+](C)CC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168968453 927592166 /nfs/dbraw/zinc/59/21/66/927592166.db2.gz ZFOZCPISLYGHMI-CHWSQXEVSA-N 2 2 257.378 1.753 20 5 CDBDLP Cc1[nH+]c2c(n1-c1nccc(C)c1[N+](=O)[O-])CC[NH2+]CC2 ZINC001165352367 939550054 /nfs/dbraw/zinc/55/00/54/939550054.db2.gz RHVWIJHVBWXVHN-UHFFFAOYSA-N 2 2 287.323 1.481 20 5 CDBDLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254572578 947532367 /nfs/dbraw/zinc/53/23/67/947532367.db2.gz QNWDYANVXLWXKF-UKRRQHHQSA-N 2 2 275.352 1.746 20 5 CDBDLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254572578 947532377 /nfs/dbraw/zinc/53/23/77/947532377.db2.gz QNWDYANVXLWXKF-UKRRQHHQSA-N 2 2 275.352 1.746 20 5 CDBDLP O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000591281610 342624126 /nfs/dbraw/zinc/62/41/26/342624126.db2.gz FFLRYFGDXQLFRM-CDBNLRSOSA-N 2 2 279.315 1.898 20 5 CDBDLP C[C@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000593726446 342829470 /nfs/dbraw/zinc/82/94/70/342829470.db2.gz HZERAIGWLOXVOX-JQWIXIFHSA-N 2 2 279.340 1.717 20 5 CDBDLP C[C@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000593726446 342829471 /nfs/dbraw/zinc/82/94/71/342829471.db2.gz HZERAIGWLOXVOX-JQWIXIFHSA-N 2 2 279.340 1.717 20 5 CDBDLP Cc1noc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000595299923 343028049 /nfs/dbraw/zinc/02/80/49/343028049.db2.gz GUJFUHPBJWLNFZ-NSHDSACASA-N 2 2 291.311 1.925 20 5 CDBDLP Cc1noc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000595299923 343028050 /nfs/dbraw/zinc/02/80/50/343028050.db2.gz GUJFUHPBJWLNFZ-NSHDSACASA-N 2 2 291.311 1.925 20 5 CDBDLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCn1cc([N+](=O)[O-])cn1)C2 ZINC000595503694 343079184 /nfs/dbraw/zinc/07/91/84/343079184.db2.gz AGGCBDHNQBFOBG-AWEZNQCLSA-N 2 2 293.371 1.209 20 5 CDBDLP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCn1cc([N+](=O)[O-])cn1)C2 ZINC000595503694 343079187 /nfs/dbraw/zinc/07/91/87/343079187.db2.gz AGGCBDHNQBFOBG-AWEZNQCLSA-N 2 2 293.371 1.209 20 5 CDBDLP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCn1cc([N+](=O)[O-])cn1)C2 ZINC000595503694 343079189 /nfs/dbraw/zinc/07/91/89/343079189.db2.gz AGGCBDHNQBFOBG-AWEZNQCLSA-N 2 2 293.371 1.209 20 5 CDBDLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCn1cc([N+](=O)[O-])cn1)C2 ZINC000595503694 343079192 /nfs/dbraw/zinc/07/91/92/343079192.db2.gz AGGCBDHNQBFOBG-AWEZNQCLSA-N 2 2 293.371 1.209 20 5 CDBDLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000168610173 361323482 /nfs/dbraw/zinc/32/34/82/361323482.db2.gz VGZWTIQAPZKSCW-GHMZBOCLSA-N 2 2 292.339 1.202 20 5 CDBDLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000168610173 361323487 /nfs/dbraw/zinc/32/34/87/361323487.db2.gz VGZWTIQAPZKSCW-GHMZBOCLSA-N 2 2 292.339 1.202 20 5 CDBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCC[NH2+]C ZINC000414861730 367834069 /nfs/dbraw/zinc/83/40/69/367834069.db2.gz TUSCGKPLSYTBTM-UHFFFAOYSA-N 2 2 267.329 1.693 20 5 CDBDLP C[NH+](C)C[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000113513669 374261386 /nfs/dbraw/zinc/26/13/86/374261386.db2.gz PBTBFTKFOUTJGM-CYBMUJFWSA-N 2 2 263.341 1.978 20 5 CDBDLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000113513669 374261390 /nfs/dbraw/zinc/26/13/90/374261390.db2.gz PBTBFTKFOUTJGM-CYBMUJFWSA-N 2 2 263.341 1.978 20 5 CDBDLP Cn1c[nH+]cc1C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000331999446 374997067 /nfs/dbraw/zinc/99/70/67/374997067.db2.gz OUHVZCRMJSKQGP-UHFFFAOYSA-N 2 2 273.296 1.282 20 5 CDBDLP Cn1c[nH+]cc1C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000331999446 374997073 /nfs/dbraw/zinc/99/70/73/374997073.db2.gz OUHVZCRMJSKQGP-UHFFFAOYSA-N 2 2 273.296 1.282 20 5 CDBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC[NH+](C)C ZINC000449268462 393130995 /nfs/dbraw/zinc/13/09/95/393130995.db2.gz HBSGVUOLKNCHKK-NSHDSACASA-N 2 2 251.330 1.677 20 5 CDBDLP Cc1ccc(C[NH2+]C[C@H]2C[N@@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000068803197 524581174 /nfs/dbraw/zinc/58/11/74/524581174.db2.gz BSUTYJSGTIZSIZ-AWEZNQCLSA-N 2 2 292.383 1.239 20 5 CDBDLP Cc1ccc(C[NH2+]C[C@H]2C[N@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000068803197 524581181 /nfs/dbraw/zinc/58/11/81/524581181.db2.gz BSUTYJSGTIZSIZ-AWEZNQCLSA-N 2 2 292.383 1.239 20 5 CDBDLP