smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC[C@H](C)N(C)Cc1cc([N+](=O)[O-])ccc1N ZINC000050813978 521036046 /nfs/dbraw/zinc/03/60/46/521036046.db2.gz IMYLMQCCDOSRAA-JTQLQIEISA-N 0 3 251.330 2.797 10 5 CFBEHN CCCC[C@H](N)C(=O)Nc1cc(C)c(C)cc1[N+](=O)[O-] ZINC000050439890 521214632 /nfs/dbraw/zinc/21/46/32/521214632.db2.gz YDARXGCSDODDNQ-NSHDSACASA-N 0 3 279.340 2.668 10 5 CFBEHN CCC1CCN(Cc2cc([N+](=O)[O-])ccc2N)CC1 ZINC000050817729 519859500 /nfs/dbraw/zinc/85/95/00/519859500.db2.gz XMPKDJHVEFUQNF-UHFFFAOYSA-N 0 3 263.341 2.799 10 5 CFBEHN CCNc1ccc([N+](=O)[O-])cc1CN(C)[C@@H]1CCSC1 ZINC000050813316 520328490 /nfs/dbraw/zinc/32/84/90/520328490.db2.gz HYNPWRQSWQHQKJ-CYBMUJFWSA-N 0 3 295.408 2.964 10 5 CFBEHN CC[C@@H](C)COc1ccc(CNC)cc1[N+](=O)[O-] ZINC000050423613 522005278 /nfs/dbraw/zinc/00/52/78/522005278.db2.gz YULGKXGVRVMFKC-SNVBAGLBSA-N 0 3 252.314 2.739 10 5 CFBEHN CC[C@@H](C)N(CCOC)Cc1cc([N+](=O)[O-])ccc1NC ZINC000050817011 522090914 /nfs/dbraw/zinc/09/09/14/522090914.db2.gz NOKXEVPRNPPCDM-GFCCVEGCSA-N 0 3 295.383 2.883 10 5 CFBEHN CNc1ccc(CN2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000050792476 522611008 /nfs/dbraw/zinc/61/10/08/522611008.db2.gz YWXPQFZAUKCUCX-NSHDSACASA-N 0 3 263.341 2.868 10 5 CFBEHN CC[C@H]1CCCCN1Cc1cc([N+](=O)[O-])ccc1N ZINC000050812888 523029771 /nfs/dbraw/zinc/02/97/71/523029771.db2.gz AJVGPHQGZQNXFF-LBPRGKRZSA-N 0 3 263.341 2.942 10 5 CFBEHN C[C@@H]1CCC[C@@H](C)N1Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050792803 524279625 /nfs/dbraw/zinc/27/96/25/524279625.db2.gz NQBKFFQZDMTIHW-GHMZBOCLSA-N 0 3 263.341 2.940 10 5 CFBEHN Cc1ccc(N[C@H](C)CN2CCCC2)c([N+](=O)[O-])c1 ZINC000049184175 525317021 /nfs/dbraw/zinc/31/70/21/525317021.db2.gz CTIZLAAGWDLKRO-GFCCVEGCSA-N 0 3 263.341 2.799 10 5 CFBEHN Cc1ccc([N+](=O)[O-])cc1N[C@@H]1CCN(C(C)C)C1 ZINC000045653774 526084954 /nfs/dbraw/zinc/08/49/54/526084954.db2.gz KNTNQKBWKGRNIZ-GFCCVEGCSA-N 0 3 263.341 2.798 10 5 CFBEHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN2CCCC[C@H]2C1 ZINC000246182325 526085273 /nfs/dbraw/zinc/08/52/73/526085273.db2.gz KWFQXARKAWNMFX-CJNGLKHVSA-N 0 3 289.379 2.826 10 5 CFBEHN N=C(N)c1cc(Oc2ccc([N+](=O)[O-])cc2Cl)ccn1 ZINC000061814626 526822289 /nfs/dbraw/zinc/82/22/89/526822289.db2.gz JRDRSZASDDROKQ-UHFFFAOYSA-N 0 3 292.682 2.720 10 5 CFBEHN NCc1ccc([N+](=O)[O-])c(OCc2ccccc2)c1 ZINC000050516560 527258957 /nfs/dbraw/zinc/25/89/57/527258957.db2.gz IXCCHCHETOJDLM-UHFFFAOYSA-N 0 3 258.277 2.633 10 5 CFBEHN Cc1ccc(CN2CCC[C@H]2CCCO)cc1[N+](=O)[O-] ZINC000092784891 347646830 /nfs/dbraw/zinc/64/68/30/347646830.db2.gz RBCLFOHOTCQHJZ-AWEZNQCLSA-N 0 3 278.352 2.640 10 5 CFBEHN CC(C)(C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000016473636 372106749 /nfs/dbraw/zinc/10/67/49/372106749.db2.gz LHGAVTFRPICMLS-UHFFFAOYSA-N 0 3 285.731 2.575 10 5 CFBEHN C[C@H](N[C@@H]1Cc2ccccc2[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000173421100 379736665 /nfs/dbraw/zinc/73/66/65/379736665.db2.gz GIDIVGGDZKMHPU-JECHBYEQSA-N 0 3 298.342 2.904 10 5 CFBEHN CCN1CCC[C@@H]1CN(C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000175360599 380050859 /nfs/dbraw/zinc/05/08/59/380050859.db2.gz AVQDVNSELICXHO-GFCCVEGCSA-N 0 3 295.358 2.650 10 5 CFBEHN CCNCc1cc([N+](=O)[O-])ccc1O[C@@H](C)CC ZINC000035414692 172188217 /nfs/dbraw/zinc/18/82/17/172188217.db2.gz NWOJAPKRULVRCO-JTQLQIEISA-N 0 3 252.314 2.882 10 5 CFBEHN CCNCc1cc([N+](=O)[O-])ccc1OCC(C)C ZINC000035414678 172188324 /nfs/dbraw/zinc/18/83/24/172188324.db2.gz DIDBZQNBSCOPMN-UHFFFAOYSA-N 0 3 252.314 2.739 10 5 CFBEHN CC[C@@H](C)[C@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000037018420 172880239 /nfs/dbraw/zinc/88/02/39/172880239.db2.gz HEHZPYAWNGLPOQ-HQJQHLMTSA-N 0 3 285.731 2.560 10 5 CFBEHN NCc1cc(F)ccc1Oc1ccc([N+](=O)[O-])cc1 ZINC000038080304 174090172 /nfs/dbraw/zinc/09/01/72/174090172.db2.gz HNVSYZGDUOFFFV-UHFFFAOYSA-N 0 3 262.240 2.985 10 5 CFBEHN C[C@H](CNc1nc(Cl)ccc1[N+](=O)[O-])N1CCCCC1 ZINC000045014479 175290830 /nfs/dbraw/zinc/29/08/30/175290830.db2.gz JLELXHAMJZDGMY-SNVBAGLBSA-N 0 3 298.774 2.930 10 5 CFBEHN C[C@H](N[C@H]1CCCC[C@H]1O)c1ccccc1[N+](=O)[O-] ZINC000251278632 278281060 /nfs/dbraw/zinc/28/10/60/278281060.db2.gz QMQHVVCERYEGDL-VHRBIJSZSA-N 0 3 264.325 2.549 10 5 CFBEHN CC(C)NCc1ccc([N+](=O)[O-])c(OCC(F)F)c1 ZINC000050517203 519727191 /nfs/dbraw/zinc/72/71/91/519727191.db2.gz URBVZLASTQJGQL-UHFFFAOYSA-N 0 3 274.267 2.737 10 5 CFBEHN CNc1ccc([N+](=O)[O-])cc1CN1CCC(C)CC1 ZINC000050792153 522645466 /nfs/dbraw/zinc/64/54/66/522645466.db2.gz XZFYIGQWBQQLRD-UHFFFAOYSA-N 0 3 263.341 2.868 10 5 CFBEHN CN(Cc1ccccc1)Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050793036 523348303 /nfs/dbraw/zinc/34/83/03/523348303.db2.gz QFAHUTHMWAQUFG-UHFFFAOYSA-N 0 3 271.320 2.809 10 5 CFBEHN COc1ccc(N[C@H](CN(C)C)C(C)C)c([N+](=O)[O-])c1 ZINC000049218791 524709915 /nfs/dbraw/zinc/70/99/15/524709915.db2.gz MSZMYZPBTIDWQI-CYBMUJFWSA-N 0 3 281.356 2.602 10 5 CFBEHN COc1cccc(COc2cc(CN)ccc2[N+](=O)[O-])c1 ZINC000050516413 526061585 /nfs/dbraw/zinc/06/15/85/526061585.db2.gz RGHNDPMBDSEXCL-UHFFFAOYSA-N 0 3 288.303 2.641 10 5 CFBEHN NCc1ccc([N+](=O)[O-])c(OCc2cccc(F)c2F)c1 ZINC000050516298 527257175 /nfs/dbraw/zinc/25/71/75/527257175.db2.gz AQPNOFJUXFKPFF-UHFFFAOYSA-N 0 3 294.257 2.911 10 5 CFBEHN O=[N+]([O-])c1cc(Cl)ccc1CN(CCO)C1CCCC1 ZINC000050445242 527332527 /nfs/dbraw/zinc/33/25/27/527332527.db2.gz VAVFARJPMYSLGC-UHFFFAOYSA-N 0 3 298.770 2.985 10 5 CFBEHN CN(C)C[C@H](O)c1nc2ccccc2c2ccccc21 ZINC000032195787 346301373 /nfs/dbraw/zinc/30/13/73/346301373.db2.gz BXPZEMJCCBFBDK-INIZCTEOSA-N 0 3 266.344 2.983 10 5 CFBEHN CN(C)C[C@@H](O)c1nc2ccccc2c2ccccc21 ZINC000032195783 346301491 /nfs/dbraw/zinc/30/14/91/346301491.db2.gz BXPZEMJCCBFBDK-MRXNPFEDSA-N 0 3 266.344 2.983 10 5 CFBEHN C[C@H](N[C@H]1CCC[C@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000037163980 346327792 /nfs/dbraw/zinc/32/77/92/346327792.db2.gz AYEBLQSGUISVRD-JKOKRWQUSA-N 0 3 264.325 2.549 10 5 CFBEHN CN(Cc1ccc([N+](=O)[O-])cc1)C1CCSCC1 ZINC000039081268 346341255 /nfs/dbraw/zinc/34/12/55/346341255.db2.gz XUEGTRAAKYFHEN-UHFFFAOYSA-N 0 3 266.366 2.922 10 5 CFBEHN O=[N+]([O-])c1ccc(Cl)c(CNC[C@@H]2CCCC[C@@H]2O)c1 ZINC000085963108 179204588 /nfs/dbraw/zinc/20/45/88/179204588.db2.gz WVJAUFRSQTZWPT-HZMBPMFUSA-N 0 3 298.770 2.889 10 5 CFBEHN CN(C)CCOc1ccc(C(C)(C)C)cc1[N+](=O)[O-] ZINC000113847233 347769195 /nfs/dbraw/zinc/76/91/95/347769195.db2.gz BENAJWLVOIIRSK-UHFFFAOYSA-N 0 3 266.341 2.833 10 5 CFBEHN CC[C@H](NCC[C@@H]1CCOC1=O)c1cccc([N+](=O)[O-])c1 ZINC000181558610 189300588 /nfs/dbraw/zinc/30/05/88/189300588.db2.gz STZAZXGJIMPTMJ-RISCZKNCSA-N 0 3 292.335 2.589 10 5 CFBEHN CCN1CCC[C@@H]1CN(C)c1ccc(F)cc1[N+](=O)[O-] ZINC000301463465 201017253 /nfs/dbraw/zinc/01/72/53/201017253.db2.gz FUGZUSHGZCVLRM-GFCCVEGCSA-N 0 3 281.331 2.654 10 5 CFBEHN C[C@@H](NCc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000075782924 374503637 /nfs/dbraw/zinc/50/36/37/374503637.db2.gz VJRKHHORMNWHTR-RNCFNFMXSA-N 0 3 284.743 2.905 10 5 CFBEHN CCc1ccc([C@@H](C)NCCn2ccc([N+](=O)[O-])n2)cc1 ZINC000176194455 380192698 /nfs/dbraw/zinc/19/26/98/380192698.db2.gz LQGULPJFMQCTMK-GFCCVEGCSA-N 0 3 288.351 2.705 10 5 CFBEHN CCN1CC[C@@H](N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000389259019 382612867 /nfs/dbraw/zinc/61/28/67/382612867.db2.gz CVCXDFNFUOGAIX-TZMCWYRMSA-N 0 3 277.368 2.648 10 5 CFBEHN CC[C@H](NCc1ccnc(N)c1)c1cccc([N+](=O)[O-])c1 ZINC000193526220 382720804 /nfs/dbraw/zinc/72/08/04/382720804.db2.gz FFFWGGOEYOECSW-AWEZNQCLSA-N 0 3 286.335 2.813 10 5 CFBEHN C[C@@H](NCCOCC1CC1)c1ccccc1[N+](=O)[O-] ZINC000231666130 382865863 /nfs/dbraw/zinc/86/58/63/382865863.db2.gz PZSDCPWSNGKWMA-LLVKDONJSA-N 0 3 264.325 2.672 10 5 CFBEHN CNc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](C)C1 ZINC000050792482 522645846 /nfs/dbraw/zinc/64/58/46/522645846.db2.gz OHZQCSWGHZKWAE-NSHDSACASA-N 0 3 263.341 2.868 10 5 CFBEHN CC(CO)(CO)NCc1cccc2ccc3ccccc3c21 ZINC000005761722 170137869 /nfs/dbraw/zinc/13/78/69/170137869.db2.gz QRKAYXCMKGJZHZ-UHFFFAOYSA-N 0 3 295.382 2.826 10 5 CFBEHN CN(C)CCNC(=O)c1cccc2c3ccccc3cnc12 ZINC000005957870 170162630 /nfs/dbraw/zinc/16/26/30/170162630.db2.gz GRQOSTWVZBKPGG-UHFFFAOYSA-N 0 3 293.370 2.679 10 5 CFBEHN CC(C)C[C@@H](CN(C)C)Nc1ccccc1[N+](=O)[O-] ZINC000044388907 175170647 /nfs/dbraw/zinc/17/06/47/175170647.db2.gz GFXWKOIVRMROMD-LBPRGKRZSA-N 0 3 265.357 2.983 10 5 CFBEHN CN1CCCC[C@H]1CNc1cc(F)cc([N+](=O)[O-])c1 ZINC000044563312 175206622 /nfs/dbraw/zinc/20/66/22/175206622.db2.gz LVRUPJICEGAYLM-LBPRGKRZSA-N 0 3 267.304 2.630 10 5 CFBEHN CN1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1F ZINC000044563149 175207006 /nfs/dbraw/zinc/20/70/06/175207006.db2.gz WBTILRARKVDLJU-LLVKDONJSA-N 0 3 267.304 2.630 10 5 CFBEHN O=[N+]([O-])c1ccc(Cl)cc1CNC[C@H]1CCCC[C@H]1O ZINC000077466059 177272011 /nfs/dbraw/zinc/27/20/11/177272011.db2.gz QTPRNJKIJXGTNJ-QMTHXVAHSA-N 0 3 298.770 2.889 10 5 CFBEHN CCC1CCN(Cc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000050817728 519859681 /nfs/dbraw/zinc/85/96/81/519859681.db2.gz AWPIZZDUSILTSL-UHFFFAOYSA-N 0 3 263.341 2.799 10 5 CFBEHN CCNCc1ccc([N+](=O)[O-])c(OCC(F)(F)F)c1 ZINC000050517015 520001857 /nfs/dbraw/zinc/00/18/57/520001857.db2.gz UMASYGOAQRSTJO-UHFFFAOYSA-N 0 3 278.230 2.645 10 5 CFBEHN CCNc1ccc(CN2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000050814682 520304137 /nfs/dbraw/zinc/30/41/37/520304137.db2.gz XLTHQMZIANUWHG-LLVKDONJSA-N 0 3 263.341 2.868 10 5 CFBEHN CCNc1ccc(CN2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000050814681 520304506 /nfs/dbraw/zinc/30/45/06/520304506.db2.gz XLTHQMZIANUWHG-NSHDSACASA-N 0 3 263.341 2.868 10 5 CFBEHN CC[C@@H](C)[C@H](N)C(=O)Nc1cc(C)c(C)cc1[N+](=O)[O-] ZINC000050439782 522369295 /nfs/dbraw/zinc/36/92/95/522369295.db2.gz UQCFLHYWOUAUGJ-OQPBUACISA-N 0 3 279.340 2.524 10 5 CFBEHN C/C=C/COc1cc(CNCC)ccc1[N+](=O)[O-] ZINC000050516978 518518553 /nfs/dbraw/zinc/51/85/53/518518553.db2.gz OXVDSBYIMRBSBZ-HWKANZROSA-N 0 3 250.298 2.659 10 5 CFBEHN CC(C)C[C@@H](CN(C)C)NCc1cc(F)ccc1[N+](=O)[O-] ZINC000049555701 519775979 /nfs/dbraw/zinc/77/59/79/519775979.db2.gz ROARNTBNSJXILA-AWEZNQCLSA-N 0 3 297.374 2.800 10 5 CFBEHN CCNc1ccc([N+](=O)[O-])cc1CN1CC[C@H](C)C1 ZINC000050814687 520330754 /nfs/dbraw/zinc/33/07/54/520330754.db2.gz VXNHFBYZKJQLPU-NSHDSACASA-N 0 3 263.341 2.868 10 5 CFBEHN CCC(CC)N(CCO)Cc1cc([N+](=O)[O-])ccc1NC ZINC000050816960 521553488 /nfs/dbraw/zinc/55/34/88/521553488.db2.gz NUITUGALQZQDCD-UHFFFAOYSA-N 0 3 295.383 2.619 10 5 CFBEHN CCCN(Cc1cc([N+](=O)[O-])ccc1N)C(C)C ZINC000050813141 521681710 /nfs/dbraw/zinc/68/17/10/521681710.db2.gz JJGRCAXAGGDKJQ-UHFFFAOYSA-N 0 3 251.330 2.797 10 5 CFBEHN COc1ccc([N+](=O)[O-])cc1CNC[C@@H](C)CSC ZINC000069447561 525460928 /nfs/dbraw/zinc/46/09/28/525460928.db2.gz PYAGRRNTUZDQQT-SNVBAGLBSA-N 0 3 284.381 2.692 10 5 CFBEHN NCc1ccc([N+](=O)[O-])c(OCC2CCCC2)c1 ZINC000050516086 527257664 /nfs/dbraw/zinc/25/76/64/527257664.db2.gz QSMNUCPPRPOZTN-UHFFFAOYSA-N 0 3 250.298 2.623 10 5 CFBEHN COc1ccc([C@H](N)c2cccc([N+](=O)[O-])c2)cc1 ZINC000141349845 347930579 /nfs/dbraw/zinc/93/05/79/347930579.db2.gz LTJFCKYWCAKQDQ-AWEZNQCLSA-N 0 3 258.277 2.652 10 5 CFBEHN C[C@H](N[C@@H]1CCCCC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000252876582 299365467 /nfs/dbraw/zinc/36/54/67/299365467.db2.gz QXYONIYJJBCSEY-NILFDRSVSA-N 0 3 278.352 2.939 10 5 CFBEHN CC(C)[C@@H](C)N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000016518597 372109170 /nfs/dbraw/zinc/10/91/70/372109170.db2.gz MIBFDCITSMDLCG-MNOVXSKESA-N 0 3 279.340 2.556 10 5 CFBEHN N[C@H]1CN(Cc2ccc(F)cc2)c2ccc([N+](=O)[O-])cc21 ZINC000019795951 372189810 /nfs/dbraw/zinc/18/98/10/372189810.db2.gz LAZYAURLTNWSII-AWEZNQCLSA-N 0 3 287.294 2.754 10 5 CFBEHN CC([C@@H](c1ccccc1Cl)n1cccn1)[N+](=O)[O-] ZINC000238856875 296215038 /nfs/dbraw/zinc/21/50/38/296215038.db2.gz XNAQKGVMVCLALO-CABZTGNLSA-N 0 3 265.700 2.791 10 5 CFBEHN Cc1ccc(CN[C@@H]2CCCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000135610518 378150230 /nfs/dbraw/zinc/15/02/30/378150230.db2.gz BUQUAGDEBMTHTR-HIFRSBDPSA-N 0 3 278.352 2.686 10 5 CFBEHN CC[C@H](NCc1[nH]ncc1C)c1cccc([N+](=O)[O-])c1 ZINC000289560160 381044009 /nfs/dbraw/zinc/04/40/09/381044009.db2.gz QWZHWYFLXNZRFY-ZDUSSCGKSA-N 0 3 274.324 2.867 10 5 CFBEHN CC[C@@H](N[C@H]1CCN(CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000389457780 382614112 /nfs/dbraw/zinc/61/41/12/382614112.db2.gz RQWUSHARGQGJMR-DZGCQCFKSA-N 0 3 277.368 2.730 10 5 CFBEHN CCN1CCC[C@@H](N[C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000249614723 383354173 /nfs/dbraw/zinc/35/41/73/383354173.db2.gz RVAONPMLZDTITK-TZMCWYRMSA-N 0 3 277.368 2.730 10 5 CFBEHN C[C@H](N[C@H]1CCCC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000249730051 383358506 /nfs/dbraw/zinc/35/85/06/383358506.db2.gz YYDQXUIGHIMDSN-LEWSCRJBSA-N 0 3 264.325 2.549 10 5 CFBEHN CC([C@H](NC(=O)c1ccccc1)c1ccccc1)[N+](=O)[O-] ZINC000005368329 170089845 /nfs/dbraw/zinc/08/98/45/170089845.db2.gz ODMUXDXARITHSZ-WFASDCNBSA-N 0 3 284.315 2.823 10 5 CFBEHN CC[C@@H](C)NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000037386467 173169696 /nfs/dbraw/zinc/16/96/96/173169696.db2.gz WYTVZFSQOQVDSY-MRVPVSSYSA-N 0 3 285.731 2.575 10 5 CFBEHN CC[C@H](C)NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000037386468 173169978 /nfs/dbraw/zinc/16/99/78/173169978.db2.gz WYTVZFSQOQVDSY-QMMMGPOBSA-N 0 3 285.731 2.575 10 5 CFBEHN CC[C@@H](C)NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000037386511 173170088 /nfs/dbraw/zinc/17/00/88/173170088.db2.gz XATBUDHLAKVZQM-MRVPVSSYSA-N 0 3 285.731 2.575 10 5 CFBEHN O=C(CNC1CCCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000037386882 173171158 /nfs/dbraw/zinc/17/11/58/173171158.db2.gz QZXRXKDBLCAQKC-UHFFFAOYSA-N 0 3 297.742 2.719 10 5 CFBEHN CC[C@H](NCCCC(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC000037416771 173194393 /nfs/dbraw/zinc/19/43/93/173194393.db2.gz NCOICTMROYNYDN-ZDUSSCGKSA-N 0 3 280.324 2.589 10 5 CFBEHN CN1CCC[C@H](Nc2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000040673507 174371987 /nfs/dbraw/zinc/37/19/87/174371987.db2.gz DGPDNCBLMIOPFI-LBPRGKRZSA-N 0 3 286.335 2.649 10 5 CFBEHN CCOC[C@@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000044690519 175233268 /nfs/dbraw/zinc/23/32/68/175233268.db2.gz SQIBREFMBWXVRD-MNOVXSKESA-N 0 3 252.314 2.670 10 5 CFBEHN COc1cccc(N[C@@H]2CN(C(C)C)C[C@H]2C)c1[N+](=O)[O-] ZINC000249370556 281056466 /nfs/dbraw/zinc/05/64/66/281056466.db2.gz WRAZUYASXZTYBO-DGCLKSJQSA-N 0 3 293.367 2.744 10 5 CFBEHN CC(C)CNCc1nc(-c2cccc([N+](=O)[O-])c2)c[nH]1 ZINC000069236611 519748560 /nfs/dbraw/zinc/74/85/60/519748560.db2.gz JFCZNIGMKSFUFH-UHFFFAOYSA-N 0 3 274.324 2.731 10 5 CFBEHN CCNc1ccc(CN(CC)[C@@H](C)COC)cc1[N+](=O)[O-] ZINC000050814978 520299800 /nfs/dbraw/zinc/29/98/00/520299800.db2.gz ZMXPLMBRHUDOED-LBPRGKRZSA-N 0 3 295.383 2.883 10 5 CFBEHN CCNc1ccc([N+](=O)[O-])cc1CN(C)[C@H]1CCSC1 ZINC000050813317 520328539 /nfs/dbraw/zinc/32/85/39/520328539.db2.gz HYNPWRQSWQHQKJ-ZDUSSCGKSA-N 0 3 295.408 2.964 10 5 CFBEHN CCC(CC)N(CCOC)Cc1cc([N+](=O)[O-])ccc1N ZINC000050817552 521560148 /nfs/dbraw/zinc/56/01/48/521560148.db2.gz RSMPVUBVTOXRIP-UHFFFAOYSA-N 0 3 295.383 2.814 10 5 CFBEHN CC[C@@H](NC1CC(OC)C1)c1cccc([N+](=O)[O-])c1 ZINC000230676229 522808069 /nfs/dbraw/zinc/80/80/69/522808069.db2.gz VXUONEFVYGMWLS-UXUKBGGZSA-N 0 3 264.325 2.813 10 5 CFBEHN COc1cc([N+](=O)[O-])ccc1Oc1ccccc1CN ZINC000050505902 522986254 /nfs/dbraw/zinc/98/62/54/522986254.db2.gz OXWHSZGVXPSBCD-UHFFFAOYSA-N 0 3 274.276 2.854 10 5 CFBEHN CO[C@H]1CCC[C@@H]1NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050444049 523981578 /nfs/dbraw/zinc/98/15/78/523981578.db2.gz GKWZUNGOMJHUGA-AAEUAGOBSA-N 0 3 284.743 2.905 10 5 CFBEHN C[C@@H](CN1CCCC1)Nc1nc(Cl)ccc1[N+](=O)[O-] ZINC000049188505 524594979 /nfs/dbraw/zinc/59/49/79/524594979.db2.gz LZKQCIQDWALMTB-VIFPVBQESA-N 0 3 284.747 2.539 10 5 CFBEHN NCc1ccc([N+](=O)[O-])c(OCCc2ccccc2)c1 ZINC000050516607 527257126 /nfs/dbraw/zinc/25/71/26/527257126.db2.gz IIPFPLCESZEFLB-UHFFFAOYSA-N 0 3 272.304 2.675 10 5 CFBEHN O=[N+]([O-])c1cc(Cl)ccc1CN[C@@H]1CCN(C2CC2)C1 ZINC000050443975 527334005 /nfs/dbraw/zinc/33/40/05/527334005.db2.gz DYQOLHFDTNVYHK-GFCCVEGCSA-N 0 3 295.770 2.575 10 5 CFBEHN C[C@H](NCC1(O)CCSCC1)c1cccc([N+](=O)[O-])c1 ZINC000304453147 348380295 /nfs/dbraw/zinc/38/02/95/348380295.db2.gz POTYSGPPRFQYGT-NSHDSACASA-N 0 3 296.392 2.504 10 5 CFBEHN O=[N+]([O-])[C@@]12Cc3ccccc3[C@H]1CN(Cc1ccccc1)C2 ZINC000584606063 348688043 /nfs/dbraw/zinc/68/80/43/348688043.db2.gz YHOPNRSCFKLSMQ-QZTJIDSGSA-N 0 3 294.354 2.858 10 5 CFBEHN CC[C@@H](NCC[C@@H]1CCOC1=O)c1cccc([N+](=O)[O-])c1 ZINC000181558635 189300256 /nfs/dbraw/zinc/30/02/56/189300256.db2.gz STZAZXGJIMPTMJ-BXUZGUMPSA-N 0 3 292.335 2.589 10 5 CFBEHN Cc1ccc([C@H](C)NCCn2cc([N+](=O)[O-])cn2)cc1F ZINC000090538855 375021146 /nfs/dbraw/zinc/02/11/46/375021146.db2.gz PDAPTMXEYZOACP-NSHDSACASA-N 0 3 292.314 2.590 10 5 CFBEHN C[C@@H]1CCCN(CCNc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000302825098 382329385 /nfs/dbraw/zinc/32/93/85/382329385.db2.gz YEJKFXATKOAOQS-LLVKDONJSA-N 0 3 281.331 2.878 10 5 CFBEHN O=[N+]([O-])c1ccc(F)cc1NC1CCN(C2CC2)CC1 ZINC000302850507 382334176 /nfs/dbraw/zinc/33/41/76/382334176.db2.gz IPXVBNOAYSTGNU-UHFFFAOYSA-N 0 3 279.315 2.773 10 5 CFBEHN O=[N+]([O-])c1ccc(NC[C@@H]2NCCc3ccccc32)cc1 ZINC000261755287 383554436 /nfs/dbraw/zinc/55/44/36/383554436.db2.gz UFWLPPDUNZQCCK-INIZCTEOSA-N 0 3 283.331 2.894 10 5 CFBEHN Cc1nc(NC[C@@H]2NCCc3ccccc32)ccc1[N+](=O)[O-] ZINC000262454552 383621980 /nfs/dbraw/zinc/62/19/80/383621980.db2.gz IBHNSLZDNIBEBN-AWEZNQCLSA-N 0 3 298.346 2.597 10 5 CFBEHN C[C@H]1CC(CNCc2csc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000282172199 385236185 /nfs/dbraw/zinc/23/61/85/385236185.db2.gz JJCVCZJCWGRIOX-UWVGGRQHSA-N 0 3 284.381 2.950 10 5 CFBEHN C[C@H](CNc1ccccc1[N+](=O)[O-])N1CCCCC1 ZINC000038029373 174019466 /nfs/dbraw/zinc/01/94/66/174019466.db2.gz BPWDRBCRGSKOFK-GFCCVEGCSA-N 0 3 263.341 2.881 10 5 CFBEHN NCc1cc([N+](=O)[O-])ccc1OCc1cc(F)ccc1F ZINC000043458668 175050486 /nfs/dbraw/zinc/05/04/86/175050486.db2.gz DNBKYTGGZFPQGA-UHFFFAOYSA-N 0 3 294.257 2.911 10 5 CFBEHN CN1CCCC[C@@H]1CNCc1cc([N+](=O)[O-])ccc1Cl ZINC000044561433 175205098 /nfs/dbraw/zinc/20/50/98/175205098.db2.gz LIKFCCFFVOREQC-CYBMUJFWSA-N 0 3 297.786 2.822 10 5 CFBEHN Cc1ccnc(NC[C@H]2NCCc3ccccc32)c1[N+](=O)[O-] ZINC000262492261 274818043 /nfs/dbraw/zinc/81/80/43/274818043.db2.gz LCUUUJACPVVZPZ-CQSZACIVSA-N 0 3 298.346 2.597 10 5 CFBEHN CC[C@H](N[C@H]1CCO[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000090918667 276641303 /nfs/dbraw/zinc/64/13/03/276641303.db2.gz QGCUYCGAJHSMGH-SWHYSGLUSA-N 0 3 264.325 2.813 10 5 CFBEHN CC(C)[C@H](CN(C)C)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000049197429 519814991 /nfs/dbraw/zinc/81/49/91/519814991.db2.gz DUQNSNAPPRSLPY-OCCSQVGLSA-N 0 3 279.384 2.832 10 5 CFBEHN CC(C)C[C@H](CO)NCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000067224169 519363125 /nfs/dbraw/zinc/36/31/25/519363125.db2.gz HHOTUIFVBWOTRZ-LLVKDONJSA-N 0 3 286.759 2.745 10 5 CFBEHN CC(C)CNCc1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1 ZINC000069236578 519748339 /nfs/dbraw/zinc/74/83/39/519748339.db2.gz IHUREKQDNYECNK-UHFFFAOYSA-N 0 3 274.324 2.731 10 5 CFBEHN CC(C)[C@H](CN(C)C)Nc1cccc(F)c1[N+](=O)[O-] ZINC000049218706 519814950 /nfs/dbraw/zinc/81/49/50/519814950.db2.gz MRZXGWBOWCHLSJ-LBPRGKRZSA-N 0 3 269.320 2.732 10 5 CFBEHN CCCNCc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000050517121 519952120 /nfs/dbraw/zinc/95/21/20/519952120.db2.gz LZRRCXWUVGNPOW-UHFFFAOYSA-N 0 3 260.240 2.696 10 5 CFBEHN CCCNc1ccc([N+](=O)[O-])cc1CN(C)CC ZINC000050812796 520170928 /nfs/dbraw/zinc/17/09/28/520170928.db2.gz GGSKUTLTDHAKCZ-UHFFFAOYSA-N 0 3 251.330 2.868 10 5 CFBEHN CCNc1ccc([N+](=O)[O-])cc1CN(CCCO)C(C)C ZINC000050818073 520330261 /nfs/dbraw/zinc/33/02/61/520330261.db2.gz HNKGNMITYBHQJB-UHFFFAOYSA-N 0 3 295.383 2.619 10 5 CFBEHN CC1(C)CCN(Cc2cc([N+](=O)[O-])ccc2N)CC1 ZINC000061822118 520380848 /nfs/dbraw/zinc/38/08/48/520380848.db2.gz SALZPRZWLCONMQ-UHFFFAOYSA-N 0 3 263.341 2.799 10 5 CFBEHN CNCc1ccc([N+](=O)[O-])c(OCc2ccsc2)c1 ZINC000050516700 522125707 /nfs/dbraw/zinc/12/57/07/522125707.db2.gz KQLXFLGGVZARPH-UHFFFAOYSA-N 0 3 278.333 2.955 10 5 CFBEHN CN(Cc1cc([N+](=O)[O-])ccc1N)CC(C)(C)C ZINC000050817020 523186377 /nfs/dbraw/zinc/18/63/77/523186377.db2.gz RUUGMBULYNUUMX-UHFFFAOYSA-N 0 3 251.330 2.655 10 5 CFBEHN C[C@H]1C[C@H](C)CN(Cc2cc([N+](=O)[O-])ccc2N)C1 ZINC000050791967 524885889 /nfs/dbraw/zinc/88/58/89/524885889.db2.gz WHVXUCPRDYKHFK-QWRGUYRKSA-N 0 3 263.341 2.655 10 5 CFBEHN Cc1ccc(N[C@H](CN(C)C)C(C)C)c([N+](=O)[O-])c1 ZINC000049219079 525318540 /nfs/dbraw/zinc/31/85/40/525318540.db2.gz FZISZDPFMBEFOO-CYBMUJFWSA-N 0 3 265.357 2.901 10 5 CFBEHN C[C@@H]1C[C@H](C)CN(Cc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000050791963 525385483 /nfs/dbraw/zinc/38/54/83/525385483.db2.gz GGBCARRYMKNRCF-PHIMTYICSA-N 0 3 263.341 2.655 10 5 CFBEHN O=[N+]([O-])c1ccc(CNC2CC2)cc1OCC(F)(F)F ZINC000050517282 527351285 /nfs/dbraw/zinc/35/12/85/527351285.db2.gz WTTBBFYHPJSCNJ-UHFFFAOYSA-N 0 3 290.241 2.788 10 5 CFBEHN CO[C@@H](C)[C@@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000145431000 347942971 /nfs/dbraw/zinc/94/29/71/347942971.db2.gz XSSJNERTFYGTSL-FZMZJTMJSA-N 0 3 264.325 2.594 10 5 CFBEHN C[C@H](NCCn1ccc([N+](=O)[O-])n1)c1cccc(Cl)c1 ZINC000181409067 189295811 /nfs/dbraw/zinc/29/58/11/189295811.db2.gz VIPWNLISILEWSI-JTQLQIEISA-N 0 3 294.742 2.796 10 5 CFBEHN O=[N+]([O-])c1ccc(Cl)c(CN2CCN3CCC[C@@H]3C2)c1 ZINC000083748600 374754031 /nfs/dbraw/zinc/75/40/31/374754031.db2.gz SENDFOFZFVGNMS-CYBMUJFWSA-N 0 3 295.770 2.528 10 5 CFBEHN Cc1ccc([C@H](C)NCCn2cc([N+](=O)[O-])cn2)c(C)c1 ZINC000090537744 375020069 /nfs/dbraw/zinc/02/00/69/375020069.db2.gz SFWFKAKYAOUKEH-ZDUSSCGKSA-N 0 3 288.351 2.759 10 5 CFBEHN CC(CO)(CO)NCc1cccc2cc3ccccc3cc21 ZINC000005761723 170137779 /nfs/dbraw/zinc/13/77/79/170137779.db2.gz KUPZBMGVLLMQLO-UHFFFAOYSA-N 0 3 295.382 2.826 10 5 CFBEHN CC(C)Oc1ccc([N+](=O)[O-])cc1CNC1CC1 ZINC000035414807 172188987 /nfs/dbraw/zinc/18/89/87/172188987.db2.gz KKMYOYUDRGDPMB-UHFFFAOYSA-N 0 3 250.298 2.634 10 5 CFBEHN COc1ccc(NC[C@H](C)N2CCCCC2)c([N+](=O)[O-])c1 ZINC000038029324 174019236 /nfs/dbraw/zinc/01/92/36/174019236.db2.gz IDZAOYJRQKVEMJ-LBPRGKRZSA-N 0 3 293.367 2.890 10 5 CFBEHN CCN1CCC[C@H](Nc2cccc(F)c2[N+](=O)[O-])C1 ZINC000040503199 174300019 /nfs/dbraw/zinc/30/00/19/174300019.db2.gz YFXUAVVNUMHANV-JTQLQIEISA-N 0 3 267.304 2.630 10 5 CFBEHN CN1CCC[C@@H](Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000040673560 174372446 /nfs/dbraw/zinc/37/24/46/174372446.db2.gz BXEDDOVPPVJNFU-SNVBAGLBSA-N 0 3 269.732 2.754 10 5 CFBEHN CCOC[C@@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000044690523 175233471 /nfs/dbraw/zinc/23/34/71/175233471.db2.gz SQIBREFMBWXVRD-GHMZBOCLSA-N 0 3 252.314 2.670 10 5 CFBEHN CCN1CCC[C@@H](Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000096482912 265369040 /nfs/dbraw/zinc/36/90/40/265369040.db2.gz FDOSLJYTJPZARW-GFCCVEGCSA-N 0 3 263.341 2.799 10 5 CFBEHN CCN1CC[C@@H](Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000328198488 270299247 /nfs/dbraw/zinc/29/92/47/270299247.db2.gz RHDGURUNKHXGKC-SNVBAGLBSA-N 0 3 269.732 2.754 10 5 CFBEHN COc1cccc(N[C@@H]2CN(C(C)C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000249370559 281056791 /nfs/dbraw/zinc/05/67/91/281056791.db2.gz WRAZUYASXZTYBO-WCQYABFASA-N 0 3 293.367 2.744 10 5 CFBEHN CC(C)[C@@H](CN(C)C)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000049197625 519793789 /nfs/dbraw/zinc/79/37/89/519793789.db2.gz QPUUENQIFOCTDG-CQSZACIVSA-N 0 3 299.802 2.924 10 5 CFBEHN CC(C)NCc1nccn1CCc1ccc([N+](=O)[O-])cc1 ZINC000051005571 519728966 /nfs/dbraw/zinc/72/89/66/519728966.db2.gz YWQBHRHOQYQOFR-UHFFFAOYSA-N 0 3 288.351 2.532 10 5 CFBEHN CCCNc1ccc(CN(C)[C@H](C)COC)cc1[N+](=O)[O-] ZINC000050815222 520154886 /nfs/dbraw/zinc/15/48/86/520154886.db2.gz TYPNBVDKOZZYMZ-GFCCVEGCSA-N 0 3 295.383 2.883 10 5 CFBEHN CCC[C@@](C)(N)C(=O)Nc1cc(C)c(C)cc1[N+](=O)[O-] ZINC000050439896 520919196 /nfs/dbraw/zinc/91/91/96/520919196.db2.gz OHWHOWOWFLVOPJ-CQSZACIVSA-N 0 3 279.340 2.668 10 5 CFBEHN CCN(Cc1cc([N+](=O)[O-])ccc1NC)CC1CC1 ZINC000069239707 521291456 /nfs/dbraw/zinc/29/14/56/521291456.db2.gz YZLUHKWCPXGUJO-UHFFFAOYSA-N 0 3 263.341 2.868 10 5 CFBEHN CCN(Cc1ccc(NC)c([N+](=O)[O-])c1)C[C@@H]1CCCO1 ZINC000050815165 521323542 /nfs/dbraw/zinc/32/35/42/521323542.db2.gz NOHVTDPAGZJMPO-ZDUSSCGKSA-N 0 3 293.367 2.637 10 5 CFBEHN C[C@@H]1C[C@@H](C)CN(Cc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000050791965 525210624 /nfs/dbraw/zinc/21/06/24/525210624.db2.gz GGBCARRYMKNRCF-GHMZBOCLSA-N 0 3 263.341 2.655 10 5 CFBEHN Cc1cc(NC[C@H]2NCCc3ccccc32)ncc1[N+](=O)[O-] ZINC000262522300 525277866 /nfs/dbraw/zinc/27/78/66/525277866.db2.gz OFYZXWQRMZXXBM-CQSZACIVSA-N 0 3 298.346 2.597 10 5 CFBEHN NCc1ccc([N+](=O)[O-])c(OCc2cccc(F)c2)c1 ZINC000050516526 527258024 /nfs/dbraw/zinc/25/80/24/527258024.db2.gz SAGCMSFSVAOBSY-UHFFFAOYSA-N 0 3 276.267 2.772 10 5 CFBEHN Cc1ccc([C@H](C)N[C@@H]2CCC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000037163560 346327501 /nfs/dbraw/zinc/32/75/01/346327501.db2.gz ZBXRSVXVNMWKPC-YUTCNCBUSA-N 0 3 278.352 2.857 10 5 CFBEHN C[C@H](N[C@@H]1CCC[C@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000037163976 346328086 /nfs/dbraw/zinc/32/80/86/346328086.db2.gz AYEBLQSGUISVRD-SUHUHFCYSA-N 0 3 264.325 2.549 10 5 CFBEHN CC(C)[C@@H](C)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000016518589 372108422 /nfs/dbraw/zinc/10/84/22/372108422.db2.gz RZNCCVYBIWRNOZ-MNOVXSKESA-N 0 3 279.340 2.556 10 5 CFBEHN CC(C)[C@H](C)N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000016518598 372108808 /nfs/dbraw/zinc/10/88/08/372108808.db2.gz MIBFDCITSMDLCG-QWRGUYRKSA-N 0 3 279.340 2.556 10 5 CFBEHN CCN1CC[C@@H](N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000389259012 382612570 /nfs/dbraw/zinc/61/25/70/382612570.db2.gz CVCXDFNFUOGAIX-GXTWGEPZSA-N 0 3 277.368 2.648 10 5 CFBEHN Cc1cc([N+](=O)[O-])ccc1CN1CCN2CCCC[C@H]2C1 ZINC000248586838 383266069 /nfs/dbraw/zinc/26/60/69/383266069.db2.gz GINIJOKMOWJWSS-INIZCTEOSA-N 0 3 289.379 2.573 10 5 CFBEHN COc1cc(NCc2ccc3c(c2)CNC3)ccc1[N+](=O)[O-] ZINC000262496153 383624805 /nfs/dbraw/zinc/62/48/05/383624805.db2.gz LMDDQWXBZQACLG-UHFFFAOYSA-N 0 3 299.330 2.819 10 5 CFBEHN CNc1ccc([N+](=O)[O-])cc1CN(C)CC(C)C ZINC000050812987 522644108 /nfs/dbraw/zinc/64/41/08/522644108.db2.gz YMHNBIVRAMUBKX-UHFFFAOYSA-N 0 3 251.330 2.724 10 5 CFBEHN CN(C)CCNC(=O)c1ccc2cc3ccccc3nc2c1 ZINC000005140444 170070291 /nfs/dbraw/zinc/07/02/91/170070291.db2.gz PJQJTOSMLZWGGF-UHFFFAOYSA-N 0 3 293.370 2.679 10 5 CFBEHN CCN1CCC[C@H]1CN(C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000175360620 276183116 /nfs/dbraw/zinc/18/31/16/276183116.db2.gz AVQDVNSELICXHO-LBPRGKRZSA-N 0 3 295.358 2.650 10 5 CFBEHN CCCCOCCOc1ccc([N+](=O)[O-])cc1CNC ZINC000049261560 520794653 /nfs/dbraw/zinc/79/46/53/520794653.db2.gz CSJMLRFKNSWSID-UHFFFAOYSA-N 0 3 282.340 2.510 10 5 CFBEHN CCN1CCC[C@H](Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000062723875 521649860 /nfs/dbraw/zinc/64/98/60/521649860.db2.gz YBAWSRKXCBSTPR-LBPRGKRZSA-N 0 3 263.341 2.799 10 5 CFBEHN CC(C)(C)NCc1nc(-c2cccc([N+](=O)[O-])c2)c[nH]1 ZINC000069236510 518767530 /nfs/dbraw/zinc/76/75/30/518767530.db2.gz VWSNVNAUZFYBLM-UHFFFAOYSA-N 0 3 274.324 2.873 10 5 CFBEHN CC(C)[C@@H](CN(C)C)Nc1ccc([N+](=O)[O-])cc1F ZINC000049219030 519794084 /nfs/dbraw/zinc/79/40/84/519794084.db2.gz SIXDIQPCZYXJAL-CYBMUJFWSA-N 0 3 269.320 2.732 10 5 CFBEHN CCNc1ccc(CN(CCOC)C2CC2)cc1[N+](=O)[O-] ZINC000050816152 520302264 /nfs/dbraw/zinc/30/22/64/520302264.db2.gz YLCMRVQHISUUBB-UHFFFAOYSA-N 0 3 293.367 2.637 10 5 CFBEHN CCCCN(Cc1cc([N+](=O)[O-])ccc1N)C1CC1 ZINC000050815433 520545069 /nfs/dbraw/zinc/54/50/69/520545069.db2.gz BXSICBLIYOHUHN-UHFFFAOYSA-N 0 3 263.341 2.942 10 5 CFBEHN CCN1CCC[C@@H](Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000062723876 521627669 /nfs/dbraw/zinc/62/76/69/521627669.db2.gz YBAWSRKXCBSTPR-GFCCVEGCSA-N 0 3 263.341 2.799 10 5 CFBEHN CNc1ccc([N+](=O)[O-])cc1CN(C)[C@H]1CCSC1 ZINC000050813315 522645615 /nfs/dbraw/zinc/64/56/15/522645615.db2.gz CPWMPGJQDAXGSZ-LBPRGKRZSA-N 0 3 281.381 2.574 10 5 CFBEHN CC[C@H](C)COc1ccc([N+](=O)[O-])cc1CNC ZINC000050423881 523888883 /nfs/dbraw/zinc/88/88/83/523888883.db2.gz HMGFORLDRKGNDR-JTQLQIEISA-N 0 3 252.314 2.739 10 5 CFBEHN COc1ccc(N[C@H](CC(C)C)CN(C)C)c([N+](=O)[O-])c1 ZINC000049558232 524709431 /nfs/dbraw/zinc/70/94/31/524709431.db2.gz AHNCCROBZVJGDQ-GFCCVEGCSA-N 0 3 295.383 2.992 10 5 CFBEHN Cc1c(CN[C@@H](C)CN2CCCCC2)cccc1[N+](=O)[O-] ZINC000049501353 525728003 /nfs/dbraw/zinc/72/80/03/525728003.db2.gz LZEXTPRKPODIPE-ZDUSSCGKSA-N 0 3 291.395 2.867 10 5 CFBEHN O=[N+]([O-])c1cc(CN2CCC(c3ccn[nH]3)CC2)cs1 ZINC000160549058 527330060 /nfs/dbraw/zinc/33/00/60/527330060.db2.gz CCBRLLLJIZZWJD-UHFFFAOYSA-N 0 3 292.364 2.759 10 5 CFBEHN N[C@H]1CN(Cc2ccccc2)c2ccc([N+](=O)[O-])cc21 ZINC000019795926 372190548 /nfs/dbraw/zinc/19/05/48/372190548.db2.gz WNNHYNPWBDXGIV-AWEZNQCLSA-N 0 3 269.304 2.615 10 5 CFBEHN C[C@H](N[C@H]1CCCCC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000252876583 220229513 /nfs/dbraw/zinc/22/95/13/220229513.db2.gz QXYONIYJJBCSEY-TUKIKUTGSA-N 0 3 278.352 2.939 10 5 CFBEHN CCN1CCC[C@@H]1CN(C)c1cccc(OC)c1[N+](=O)[O-] ZINC000185512247 381655322 /nfs/dbraw/zinc/65/53/22/381655322.db2.gz RLFASHYRUKYUSS-GFCCVEGCSA-N 0 3 293.367 2.524 10 5 CFBEHN CC[C@H](N[C@H]1CCN(CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000389457785 382614425 /nfs/dbraw/zinc/61/44/25/382614425.db2.gz RQWUSHARGQGJMR-ZFWWWQNUSA-N 0 3 277.368 2.730 10 5 CFBEHN Cc1ccc(CN2CCN3CCCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000245559675 383007883 /nfs/dbraw/zinc/00/78/83/383007883.db2.gz LYHQUEQBJYNZHS-HNNXBMFYSA-N 0 3 289.379 2.573 10 5 CFBEHN O=[N+]([O-])c1cc(Cl)ccc1CN1CCN2CCC[C@H]2C1 ZINC000247539136 383182648 /nfs/dbraw/zinc/18/26/48/383182648.db2.gz QMLJZMAXXYTSDJ-ZDUSSCGKSA-N 0 3 295.770 2.528 10 5 CFBEHN Cc1nc(NC[C@H]2NCCc3ccccc32)ccc1[N+](=O)[O-] ZINC000262454553 383622471 /nfs/dbraw/zinc/62/24/71/383622471.db2.gz IBHNSLZDNIBEBN-CQSZACIVSA-N 0 3 298.346 2.597 10 5 CFBEHN CCOC(=O)CCCN[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000081545197 177814461 /nfs/dbraw/zinc/81/44/61/177814461.db2.gz OUKFOZPVZIEQQS-CQSZACIVSA-N 0 3 294.351 2.979 10 5 CFBEHN C[C@@H](N[C@@H](C)[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000020208893 171073412 /nfs/dbraw/zinc/07/34/12/171073412.db2.gz VGHCYRMVDNDIJV-SUNKGSAMSA-N 0 3 264.325 2.813 10 5 CFBEHN CCN1CC[C@H](Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000328198486 270299371 /nfs/dbraw/zinc/29/93/71/270299371.db2.gz RHDGURUNKHXGKC-JTQLQIEISA-N 0 3 269.732 2.754 10 5 CFBEHN CC[C@@H](C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000037386481 173169833 /nfs/dbraw/zinc/16/98/33/173169833.db2.gz BKYKRYBAOOBKRP-MRVPVSSYSA-N 0 3 285.731 2.575 10 5 CFBEHN CCCNCc1nc(-c2ccc(C)c([N+](=O)[O-])c2)c[nH]1 ZINC000044652128 175225087 /nfs/dbraw/zinc/22/50/87/175225087.db2.gz NQCIXPIEVNUTQA-UHFFFAOYSA-N 0 3 274.324 2.793 10 5 CFBEHN CCN1CCC[C@H](Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000096482910 265369698 /nfs/dbraw/zinc/36/96/98/265369698.db2.gz FDOSLJYTJPZARW-LBPRGKRZSA-N 0 3 263.341 2.799 10 5 CFBEHN CCCCOCCOc1ccc(CNC)cc1[N+](=O)[O-] ZINC000049261444 520792846 /nfs/dbraw/zinc/79/28/46/520792846.db2.gz VQXVGQWHWZUAIT-UHFFFAOYSA-N 0 3 282.340 2.510 10 5 CFBEHN CCCCOCCOc1cc(CNC)ccc1[N+](=O)[O-] ZINC000050516651 520792437 /nfs/dbraw/zinc/79/24/37/520792437.db2.gz CMBBRWBAIKPWFT-UHFFFAOYSA-N 0 3 282.340 2.510 10 5 CFBEHN CNCc1ccc([N+](=O)[O-])c(OCCOCCC(C)C)c1 ZINC000050516728 522124825 /nfs/dbraw/zinc/12/48/25/522124825.db2.gz KNXGCJNZBODBPT-UHFFFAOYSA-N 0 3 296.367 2.756 10 5 CFBEHN CNCc1ccc([N+](=O)[O-])c(OCC=C(C)C)c1 ZINC000050516764 522125842 /nfs/dbraw/zinc/12/58/42/522125842.db2.gz MKUPGDGVHUQOQR-UHFFFAOYSA-N 0 3 250.298 2.659 10 5 CFBEHN CNc1ccc(CN2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000050792475 522610821 /nfs/dbraw/zinc/61/08/21/522610821.db2.gz YWXPQFZAUKCUCX-LLVKDONJSA-N 0 3 263.341 2.868 10 5 CFBEHN CC[C@@H]1CCCCN1Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050812884 523179081 /nfs/dbraw/zinc/17/90/81/523179081.db2.gz RGNHEBRWFLRXCO-GFCCVEGCSA-N 0 3 263.341 2.942 10 5 CFBEHN CO[C@H]1CCC[C@H]1NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050444055 523986955 /nfs/dbraw/zinc/98/69/55/523986955.db2.gz GKWZUNGOMJHUGA-YPMHNXCESA-N 0 3 284.743 2.905 10 5 CFBEHN C[C@@H]1CCC[C@@H](C)N1Cc1cc([N+](=O)[O-])ccc1N ZINC000050792806 524280042 /nfs/dbraw/zinc/28/00/42/524280042.db2.gz PBIYRDDTTROJBU-GHMZBOCLSA-N 0 3 263.341 2.940 10 5 CFBEHN C[C@H](CN1CCCCC1)Nc1nc(Cl)ccc1[N+](=O)[O-] ZINC000049503120 524336296 /nfs/dbraw/zinc/33/62/96/524336296.db2.gz HEPUKPFKHBYWNE-SNVBAGLBSA-N 0 3 298.774 2.930 10 5 CFBEHN Cc1ccc(N[C@@H](CN(C)C)C(C)C)c([N+](=O)[O-])c1 ZINC000049219075 525311479 /nfs/dbraw/zinc/31/14/79/525311479.db2.gz FZISZDPFMBEFOO-ZDUSSCGKSA-N 0 3 265.357 2.901 10 5 CFBEHN C[C@@H](N[C@@H](C)CN1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000049150018 525599678 /nfs/dbraw/zinc/59/96/78/525599678.db2.gz UKBPARGUKZEKQA-QWHCGFSZSA-N 0 3 277.368 2.730 10 5 CFBEHN Cc1c(CN[C@H](C)CN2CCCCC2)cccc1[N+](=O)[O-] ZINC000049501355 525728053 /nfs/dbraw/zinc/72/80/53/525728053.db2.gz LZEXTPRKPODIPE-CYBMUJFWSA-N 0 3 291.395 2.867 10 5 CFBEHN Cc1nn(Cc2ccc(Cl)cc2[N+](=O)[O-])c(C)c1CN ZINC000050444856 526290745 /nfs/dbraw/zinc/29/07/45/526290745.db2.gz WNRVVROERQFRMU-UHFFFAOYSA-N 0 3 294.742 2.569 10 5 CFBEHN N=C(N)c1c(F)cccc1Oc1ccccc1[N+](=O)[O-] ZINC000062714855 526819137 /nfs/dbraw/zinc/81/91/37/526819137.db2.gz TWWDPQGFAMJJBX-UHFFFAOYSA-N 0 3 275.239 2.810 10 5 CFBEHN N=C(N)c1c(F)cccc1Oc1ccc([N+](=O)[O-])cc1 ZINC000062714853 526819564 /nfs/dbraw/zinc/81/95/64/526819564.db2.gz CARKBUCLILMUQK-UHFFFAOYSA-N 0 3 275.239 2.810 10 5 CFBEHN O=[N+]([O-])c1cc(Cl)ccc1CNCCN1CCCCC1 ZINC000050443915 527332992 /nfs/dbraw/zinc/33/29/92/527332992.db2.gz XETWGLKICYCIQX-UHFFFAOYSA-N 0 3 297.786 2.824 10 5 CFBEHN CC[C@@H]1Oc2c(c(Br)ccc2[N+](=O)[O-])[C@@H]1N ZINC000757176016 617868812 /nfs/dbraw/zinc/86/88/12/617868812.db2.gz SLGSCULLRDBCDL-IONNQARKSA-N 0 3 287.113 2.528 10 5 CFBEHN CCOC1CC(N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000124782099 187154156 /nfs/dbraw/zinc/15/41/56/187154156.db2.gz NUESYFBGVGXLQY-JKDOVBDQSA-N 0 3 264.325 2.813 10 5 CFBEHN Cc1ccnc(NCc2ccc3c(c2)CNC3)c1[N+](=O)[O-] ZINC000097829642 232181512 /nfs/dbraw/zinc/18/15/12/232181512.db2.gz UCAKMHXRHNCTEM-UHFFFAOYSA-N 0 3 284.319 2.514 10 5 CFBEHN O=[N+]([O-])[C@H]1CN(Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000034220568 346315640 /nfs/dbraw/zinc/31/56/40/346315640.db2.gz BVUNFAAOQWGVQX-SJORKVTESA-N 0 3 282.343 2.931 10 5 CFBEHN O=[N+]([O-])c1ccc(Cl)c(CNC[C@H]2CCCC[C@H]2O)c1 ZINC000085963116 179204774 /nfs/dbraw/zinc/20/47/74/179204774.db2.gz WVJAUFRSQTZWPT-QMTHXVAHSA-N 0 3 298.770 2.889 10 5 CFBEHN O=[N+]([O-])c1cc(CN[C@@H]2CCC[C@H]3C[C@H]32)cs1 ZINC000592181644 349095808 /nfs/dbraw/zinc/09/58/08/349095808.db2.gz OKGCCJWNQIUOKS-HBNTYKKESA-N 0 3 252.339 2.935 10 5 CFBEHN CC[C@H](NC1CSC1)c1cccc([N+](=O)[O-])c1 ZINC000611564157 351709619 /nfs/dbraw/zinc/70/96/19/351709619.db2.gz RVEGKBPBYFASDA-LBPRGKRZSA-N 0 3 252.339 2.751 10 5 CFBEHN Cc1cc([N+](=O)[O-])ccc1CN1CCN2CCCC[C@@H]2C1 ZINC000183305246 189354673 /nfs/dbraw/zinc/35/46/73/189354673.db2.gz GINIJOKMOWJWSS-MRXNPFEDSA-N 0 3 289.379 2.573 10 5 CFBEHN C[C@H](NCc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000075782920 374503970 /nfs/dbraw/zinc/50/39/70/374503970.db2.gz VJRKHHORMNWHTR-ZANVPECISA-N 0 3 284.743 2.905 10 5 CFBEHN C[C@H](N[C@H]1Cc2ccccc2[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000173421125 379737115 /nfs/dbraw/zinc/73/71/15/379737115.db2.gz GIDIVGGDZKMHPU-GOPGUHFVSA-N 0 3 298.342 2.904 10 5 CFBEHN O=[N+]([O-])c1ccc(F)cc1N1CCN(C2CCCC2)CC1 ZINC000302793841 285118999 /nfs/dbraw/zinc/11/89/99/285118999.db2.gz HRZVTSCATYGXBX-UHFFFAOYSA-N 0 3 293.342 2.799 10 5 CFBEHN CC([C@@H](NC(=O)c1ccccc1)c1ccccc1)[N+](=O)[O-] ZINC000005372871 170090353 /nfs/dbraw/zinc/09/03/53/170090353.db2.gz ODMUXDXARITHSZ-IUODEOHRSA-N 0 3 284.315 2.823 10 5 CFBEHN CCN1CCC[C@H]1CNc1nc(Cl)ccc1[N+](=O)[O-] ZINC000037331832 173133587 /nfs/dbraw/zinc/13/35/87/173133587.db2.gz YJQZOXXICOQDQI-VIFPVBQESA-N 0 3 284.747 2.539 10 5 CFBEHN CC[C@@H](C)NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000037386447 173169660 /nfs/dbraw/zinc/16/96/60/173169660.db2.gz LQEORFBQMCRFGV-MRVPVSSYSA-N 0 3 285.731 2.575 10 5 CFBEHN C[C@@H](CNc1ccccc1[N+](=O)[O-])N1CCCCC1 ZINC000038029372 174019882 /nfs/dbraw/zinc/01/98/82/174019882.db2.gz BPWDRBCRGSKOFK-LBPRGKRZSA-N 0 3 263.341 2.881 10 5 CFBEHN CCN1CCC(Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000038098340 174113507 /nfs/dbraw/zinc/11/35/07/174113507.db2.gz OUWPBIOZACLMHO-UHFFFAOYSA-N 0 3 267.304 2.630 10 5 CFBEHN Cc1cc([N+](=O)[O-])ccc1NC[C@@H]1CCCCN1C ZINC000044563159 175206631 /nfs/dbraw/zinc/20/66/31/175206631.db2.gz PVZOTKREQGSQJQ-ZDUSSCGKSA-N 0 3 263.341 2.799 10 5 CFBEHN CC(C)(C)OC(=O)C(C)(C)[C@H](N)c1ccc([N+](=O)[O-])cc1 ZINC000536958027 330383668 /nfs/dbraw/zinc/38/36/68/330383668.db2.gz HERDMCXUNNBOTE-GFCCVEGCSA-N 0 3 294.351 2.963 10 5 CFBEHN CCNc1ccc([N+](=O)[O-])cc1CN(C)CC1CC1 ZINC000050814585 520328294 /nfs/dbraw/zinc/32/82/94/520328294.db2.gz QDKMTFWXBDLHLR-UHFFFAOYSA-N 0 3 263.341 2.868 10 5 CFBEHN CC(C)[C@@H](C)N(C)Cc1cc([N+](=O)[O-])ccc1N ZINC000050814056 519791208 /nfs/dbraw/zinc/79/12/08/519791208.db2.gz SXXHQIWPUAZZRG-SNVBAGLBSA-N 0 3 251.330 2.653 10 5 CFBEHN CCCCOCCOc1ccc([N+](=O)[O-])cc1CNCC ZINC000049261562 520793606 /nfs/dbraw/zinc/79/36/06/520793606.db2.gz PFHBBZLDOIJYAB-UHFFFAOYSA-N 0 3 296.367 2.900 10 5 CFBEHN CCC(O)(CC)CN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000087013945 521657505 /nfs/dbraw/zinc/65/75/05/521657505.db2.gz YKHWKRBRAPHYMV-NSHDSACASA-N 0 3 266.341 2.797 10 5 CFBEHN CNCc1ccc(OCCOCCC(C)C)c([N+](=O)[O-])c1 ZINC000049264924 522123427 /nfs/dbraw/zinc/12/34/27/522123427.db2.gz HQBAFQCPAJCHNW-UHFFFAOYSA-N 0 3 296.367 2.756 10 5 CFBEHN CNc1ccc(CN(C)C[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000050815066 522605966 /nfs/dbraw/zinc/60/59/66/522605966.db2.gz PZCSFKQEZNDMCA-CYBMUJFWSA-N 0 3 293.367 2.637 10 5 CFBEHN COc1ccc(NCCN2CCCCC2)c([N+](=O)[O-])c1 ZINC000049575288 524676670 /nfs/dbraw/zinc/67/66/70/524676670.db2.gz UTBUXXUXAWKCBN-UHFFFAOYSA-N 0 3 279.340 2.501 10 5 CFBEHN COc1ccc(N[C@@H](CN(C)C)C(C)C)c([N+](=O)[O-])c1 ZINC000049218794 524703713 /nfs/dbraw/zinc/70/37/13/524703713.db2.gz MSZMYZPBTIDWQI-ZDUSSCGKSA-N 0 3 281.356 2.602 10 5 CFBEHN C[C@H](N[C@H]1Cc2ccccc2[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000245453918 525637947 /nfs/dbraw/zinc/63/79/47/525637947.db2.gz GIDIVGGDZKMHPU-MZPVMMEZSA-N 0 3 298.342 2.904 10 5 CFBEHN C[C@@H]1[C@@H](C)CCCN1Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050814428 525642867 /nfs/dbraw/zinc/64/28/67/525642867.db2.gz ZVBMXQNKWWEVMM-WDEREUQCSA-N 0 3 263.341 2.797 10 5 CFBEHN COc1cccc(NCc2ccc3c(c2)CNC3)c1[N+](=O)[O-] ZINC000262443431 526210159 /nfs/dbraw/zinc/21/01/59/526210159.db2.gz HAGLKBVUPCTDCG-UHFFFAOYSA-N 0 3 299.330 2.819 10 5 CFBEHN NCc1ccc([N+](=O)[O-])c(OCc2ccc(F)cc2)c1 ZINC000050516612 527257346 /nfs/dbraw/zinc/25/73/46/527257346.db2.gz SLLNKFFFOLQRMR-UHFFFAOYSA-N 0 3 276.267 2.772 10 5 CFBEHN CC[C@H]1Oc2c(c(Br)ccc2[N+](=O)[O-])[C@H]1N ZINC000757176010 617869993 /nfs/dbraw/zinc/86/99/93/617869993.db2.gz SLGSCULLRDBCDL-APPZFPTMSA-N 0 3 287.113 2.528 10 5 CFBEHN CCC[C@@H](NC1CC(CO)C1)c1cccc([N+](=O)[O-])c1 ZINC000595103329 349582372 /nfs/dbraw/zinc/58/23/72/349582372.db2.gz LLCSLZBSKYHIMS-ABIUDSBCSA-N 0 3 278.352 2.797 10 5 CFBEHN O=[N+]([O-])c1ccc([C@H]2CCN(Cc3ccccc3)C2)nc1 ZINC000088259791 347500581 /nfs/dbraw/zinc/50/05/81/347500581.db2.gz NXBCMJNQBALDET-AWEZNQCLSA-N 0 3 283.331 2.979 10 5 CFBEHN COc1ccc([N+](=O)[O-])cc1CNC1(C(C)C)CC1 ZINC000293140810 382003413 /nfs/dbraw/zinc/00/34/13/382003413.db2.gz UDBVMVXBYFXYND-UHFFFAOYSA-N 0 3 264.325 2.882 10 5 CFBEHN CC(C)CN1CCC[C@@H]1CNc1ncc([N+](=O)[O-])s1 ZINC000192506817 382709576 /nfs/dbraw/zinc/70/95/76/382709576.db2.gz QECLUCPRFMYSJT-SNVBAGLBSA-N 0 3 284.385 2.584 10 5 CFBEHN O=[N+]([O-])c1ccc(CNCCc2ccc(F)cc2)o1 ZINC000037195965 173024293 /nfs/dbraw/zinc/02/42/93/173024293.db2.gz SMKBGERWZYXSMG-UHFFFAOYSA-N 0 3 264.256 2.659 10 5 CFBEHN COc1ccccc1[C@H](N)Cc1ccc([N+](=O)[O-])cc1 ZINC000038128907 174131669 /nfs/dbraw/zinc/13/16/69/174131669.db2.gz AZJSIWXHBSBGMR-CQSZACIVSA-N 0 3 272.304 2.846 10 5 CFBEHN CN1CCC[C@@H]1CCOc1nc(Cl)ccc1[N+](=O)[O-] ZINC000040240550 174213402 /nfs/dbraw/zinc/21/34/02/174213402.db2.gz OBOZZSGUEOMRJQ-SECBINFHSA-N 0 3 285.731 2.506 10 5 CFBEHN CCN1CCC[C@@H](N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000040502554 174299024 /nfs/dbraw/zinc/29/90/24/174299024.db2.gz ODKCITUNWCCQMA-GXTWGEPZSA-N 0 3 277.368 2.730 10 5 CFBEHN CN1CCC[C@H](Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000040673559 174372160 /nfs/dbraw/zinc/37/21/60/174372160.db2.gz BXEDDOVPPVJNFU-JTQLQIEISA-N 0 3 269.732 2.754 10 5 CFBEHN CN1CCC[C@@H](Nc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000040673596 174372272 /nfs/dbraw/zinc/37/22/72/174372272.db2.gz OOKFSNISHQYGEQ-LLVKDONJSA-N 0 3 286.335 2.649 10 5 CFBEHN NCc1ccc(OCc2cc(F)ccc2F)c([N+](=O)[O-])c1 ZINC000043458624 175050476 /nfs/dbraw/zinc/05/04/76/175050476.db2.gz YYZCVLWMLVALRQ-UHFFFAOYSA-N 0 3 294.257 2.911 10 5 CFBEHN C[C@@H](NC[C@H]1CCCCN1C)c1ccc([N+](=O)[O-])cc1 ZINC000044561402 175205069 /nfs/dbraw/zinc/20/50/69/175205069.db2.gz LYPSBBKAOKWDIU-IUODEOHRSA-N 0 3 277.368 2.730 10 5 CFBEHN C[C@@H](NC[C@H]1CCCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000044561532 175205310 /nfs/dbraw/zinc/20/53/10/175205310.db2.gz SUVMMSBHPAYUCI-IUODEOHRSA-N 0 3 277.368 2.730 10 5 CFBEHN CN1CCCC[C@@H]1CNc1nc(Cl)ccc1[N+](=O)[O-] ZINC000044565912 175208318 /nfs/dbraw/zinc/20/83/18/175208318.db2.gz ONQJRSWPSJGOMV-SECBINFHSA-N 0 3 284.747 2.539 10 5 CFBEHN CCN1CCC[C@@H](Nc2cc(C)c([N+](=O)[O-])cc2F)C1 ZINC000312680206 270289296 /nfs/dbraw/zinc/28/92/96/270289296.db2.gz CXOZNVLORAMFPM-LLVKDONJSA-N 0 3 281.331 2.939 10 5 CFBEHN CC(C)NCc1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000050517206 519727248 /nfs/dbraw/zinc/72/72/48/519727248.db2.gz GGYNNATWGPHQAW-UHFFFAOYSA-N 0 3 252.314 2.880 10 5 CFBEHN CC(C)C[C@@H](CO)NCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000067224167 519223357 /nfs/dbraw/zinc/22/33/57/519223357.db2.gz HHOTUIFVBWOTRZ-NSHDSACASA-N 0 3 286.759 2.745 10 5 CFBEHN CCNc1ccc(CN(CC)[C@H](C)COC)cc1[N+](=O)[O-] ZINC000050814979 520299219 /nfs/dbraw/zinc/29/92/19/520299219.db2.gz ZMXPLMBRHUDOED-GFCCVEGCSA-N 0 3 295.383 2.883 10 5 CFBEHN CCC(CC)(CO)NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000053070398 521458259 /nfs/dbraw/zinc/45/82/59/521458259.db2.gz UJNXFXBAGVKSRI-UHFFFAOYSA-N 0 3 286.759 2.889 10 5 CFBEHN CC[C@H](C)[C@@H](N)C(=O)Nc1cc(C)c(C)cc1[N+](=O)[O-] ZINC000050439835 521837874 /nfs/dbraw/zinc/83/78/74/521837874.db2.gz UQCFLHYWOUAUGJ-ISVAXAHUSA-N 0 3 279.340 2.524 10 5 CFBEHN CC[C@@H]1CCCN(Cc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000050813833 523252450 /nfs/dbraw/zinc/25/24/50/523252450.db2.gz HSAUVSYSCSRKEE-LLVKDONJSA-N 0 3 263.341 2.799 10 5 CFBEHN C[C@@H]1CN(CCCOc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000171688112 524951944 /nfs/dbraw/zinc/95/19/44/524951944.db2.gz BOVNFEIUAONIJK-GFCCVEGCSA-N 0 3 296.392 2.801 10 5 CFBEHN Cc1cc(NC(=O)C2(N)CCCCC2)c([N+](=O)[O-])cc1C ZINC000050439827 525114652 /nfs/dbraw/zinc/11/46/52/525114652.db2.gz GKDQIRLUGWAGLQ-UHFFFAOYSA-N 0 3 291.351 2.812 10 5 CFBEHN Cc1cc(N[C@@H]2CN3CCC2CC3)c([N+](=O)[O-])cc1C ZINC000050439417 525298310 /nfs/dbraw/zinc/29/83/10/525298310.db2.gz SFZJXVMQWRVRPD-CQSZACIVSA-N 0 3 275.352 2.718 10 5 CFBEHN NCc1cc([N+](=O)[O-])ccc1OCc1ccc(F)cc1F ZINC000050872049 527250033 /nfs/dbraw/zinc/25/00/33/527250033.db2.gz WQBKPXUHRMTWFC-UHFFFAOYSA-N 0 3 294.257 2.911 10 5 CFBEHN NCc1ccc([N+](=O)[O-])c(OCc2ccccc2F)c1 ZINC000050516593 527258718 /nfs/dbraw/zinc/25/87/18/527258718.db2.gz SCIDQSZLNIEOGI-UHFFFAOYSA-N 0 3 276.267 2.772 10 5 CFBEHN NCc1ccc([N+](=O)[O-])c(OCc2ccsc2)c1 ZINC000050516240 527259194 /nfs/dbraw/zinc/25/91/94/527259194.db2.gz YUMIDSORUKKURJ-UHFFFAOYSA-N 0 3 264.306 2.694 10 5 CFBEHN CC[C@H]1Oc2c(c(Br)ccc2[N+](=O)[O-])[C@@H]1N ZINC000757176019 630875946 /nfs/dbraw/zinc/87/59/46/630875946.db2.gz SLGSCULLRDBCDL-VXNVDRBHSA-N 0 3 287.113 2.528 10 5 CFBEHN COC1CC(NCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000234701695 617900043 /nfs/dbraw/zinc/90/00/43/617900043.db2.gz VGEDJBMZLGCQAJ-UHFFFAOYSA-N 0 3 270.716 2.515 10 5 CFBEHN C[C@H](N[C@@H]1CCC[C@@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000217620606 348165335 /nfs/dbraw/zinc/16/53/35/348165335.db2.gz QQCOPMFDKCWOCL-ZKYQVNSYSA-N 0 3 264.325 2.549 10 5 CFBEHN O=[N+]([O-])c1cc(CNC[C@@H]2CCCCO2)ccc1Cl ZINC000109460956 186253499 /nfs/dbraw/zinc/25/34/99/186253499.db2.gz HSSWLRLNHCTRSM-NSHDSACASA-N 0 3 284.743 2.907 10 5 CFBEHN COc1ccc(OC)c2c(N)c3ccccc3nc12 ZINC000606302075 351260966 /nfs/dbraw/zinc/26/09/66/351260966.db2.gz ACIVFZGSGIGMRC-UHFFFAOYSA-N 0 3 254.289 2.818 10 5 CFBEHN Cc1cnn(CCN[C@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000123943879 187115060 /nfs/dbraw/zinc/11/50/60/187115060.db2.gz TWLMVKANGHJRDM-CYBMUJFWSA-N 0 3 288.351 2.759 10 5 CFBEHN CC[C@H](NCCn1cc(C)cn1)c1cccc([N+](=O)[O-])c1 ZINC000123986420 187117591 /nfs/dbraw/zinc/11/75/91/187117591.db2.gz CGZSKDIATWWYQC-HNNXBMFYSA-N 0 3 288.351 2.841 10 5 CFBEHN CC[C@@H](NC(=O)CN(C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000177796088 189070161 /nfs/dbraw/zinc/07/01/61/189070161.db2.gz AROGSVYCAVSGEU-CQSZACIVSA-N 0 3 293.367 2.502 10 5 CFBEHN CCOC(=O)CCCN[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000081545194 374706216 /nfs/dbraw/zinc/70/62/16/374706216.db2.gz OUKFOZPVZIEQQS-AWEZNQCLSA-N 0 3 294.351 2.979 10 5 CFBEHN CCCN1CCCN(c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000301394364 382167310 /nfs/dbraw/zinc/16/73/10/382167310.db2.gz KLJVPVXNBJVYFH-UHFFFAOYSA-N 0 3 277.368 2.825 10 5 CFBEHN CCN1CCC[C@H](N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000249614244 383353424 /nfs/dbraw/zinc/35/34/24/383353424.db2.gz ODKCITUNWCCQMA-OCCSQVGLSA-N 0 3 277.368 2.730 10 5 CFBEHN CC(C)C[C@H](CN(C)C)NCc1csc([N+](=O)[O-])c1 ZINC000037563139 393533521 /nfs/dbraw/zinc/53/35/21/393533521.db2.gz CKKMWHZYIYXJHZ-GFCCVEGCSA-N 0 3 285.413 2.722 10 5 CFBEHN O=[N+]([O-])c1ccc(Cl)c(CN[C@@H]2CCC[C@@H](O)C2)c1 ZINC000037165461 173000619 /nfs/dbraw/zinc/00/06/19/173000619.db2.gz RWQULQGGMJDZQJ-ZYHUDNBSSA-N 0 3 284.743 2.641 10 5 CFBEHN O=[N+]([O-])c1ccc(CNCCc2cccs2)o1 ZINC000037211811 173033774 /nfs/dbraw/zinc/03/37/74/173033774.db2.gz NZSXRFAMTJDKMV-UHFFFAOYSA-N 0 3 252.295 2.582 10 5 CFBEHN O=C(CNC1CCCC1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000037386877 173169793 /nfs/dbraw/zinc/16/97/93/173169793.db2.gz VVMFYDQWXSOAHE-UHFFFAOYSA-N 0 3 297.742 2.719 10 5 CFBEHN CCN1CCC[C@@H](Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000040503204 174300226 /nfs/dbraw/zinc/30/02/26/174300226.db2.gz CNDZADDITVLHJH-LLVKDONJSA-N 0 3 267.304 2.630 10 5 CFBEHN CN1CCCC[C@H]1CNc1cccc(F)c1[N+](=O)[O-] ZINC000044563308 175206329 /nfs/dbraw/zinc/20/63/29/175206329.db2.gz BMTWSRVVAKNAKC-JTQLQIEISA-N 0 3 267.304 2.630 10 5 CFBEHN C[C@H](N[C@H]1CCCC[C@@H]1O)c1ccccc1[N+](=O)[O-] ZINC000051995397 290043472 /nfs/dbraw/zinc/04/34/72/290043472.db2.gz QMQHVVCERYEGDL-JKOKRWQUSA-N 0 3 264.325 2.549 10 5 CFBEHN CC[C@@H](C)CN(C)Cc1cc([N+](=O)[O-])ccc1N ZINC000050813214 521970218 /nfs/dbraw/zinc/97/02/18/521970218.db2.gz UJWSWRRPQSODBD-SNVBAGLBSA-N 0 3 251.330 2.655 10 5 CFBEHN CC(C)C[C@H](CN(C)C)NCc1cc(F)ccc1[N+](=O)[O-] ZINC000049555702 519342653 /nfs/dbraw/zinc/34/26/53/519342653.db2.gz ROARNTBNSJXILA-CQSZACIVSA-N 0 3 297.374 2.800 10 5 CFBEHN CC(C)NCc1ccc(OCCOC(C)C)c([N+](=O)[O-])c1 ZINC000049258972 519727483 /nfs/dbraw/zinc/72/74/83/519727483.db2.gz TZCQSGGDINDIAK-UHFFFAOYSA-N 0 3 296.367 2.897 10 5 CFBEHN CCCN(CCC)Cc1cc([N+](=O)[O-])ccc1N ZINC000050792695 521649091 /nfs/dbraw/zinc/64/90/91/521649091.db2.gz KOMCIFSZJAUMKT-UHFFFAOYSA-N 0 3 251.330 2.799 10 5 CFBEHN CC[C@@H](C)COc1ccc([N+](=O)[O-])cc1CNC ZINC000050423879 522005937 /nfs/dbraw/zinc/00/59/37/522005937.db2.gz HMGFORLDRKGNDR-SNVBAGLBSA-N 0 3 252.314 2.739 10 5 CFBEHN CNCc1ccc([N+](=O)[O-])c(OCc2ccccc2)c1 ZINC000050516858 522125347 /nfs/dbraw/zinc/12/53/47/522125347.db2.gz JINIDHABIRWCBP-UHFFFAOYSA-N 0 3 272.304 2.893 10 5 CFBEHN CC[C@H](C)N(CC)Cc1cc([N+](=O)[O-])ccc1N ZINC000050813084 523934999 /nfs/dbraw/zinc/93/49/99/523934999.db2.gz ZRFUPCNJECTWSR-JTQLQIEISA-N 0 3 251.330 2.797 10 5 CFBEHN C[C@@H]1CCC[C@H](C)N1Cc1cc([N+](=O)[O-])ccc1N ZINC000050792804 524362611 /nfs/dbraw/zinc/36/26/11/524362611.db2.gz PBIYRDDTTROJBU-PHIMTYICSA-N 0 3 263.341 2.940 10 5 CFBEHN C[C@@H]1CCC[C@H](C)N1Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050792801 524362902 /nfs/dbraw/zinc/36/29/02/524362902.db2.gz NQBKFFQZDMTIHW-PHIMTYICSA-N 0 3 263.341 2.940 10 5 CFBEHN C[C@@H](CN1CCCC1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000049184144 524595286 /nfs/dbraw/zinc/59/52/86/524595286.db2.gz LEVUCMNPBNIGDH-JTQLQIEISA-N 0 3 267.304 2.630 10 5 CFBEHN CSCCCNCc1cc([N+](=O)[O-])c(F)cc1F ZINC000069433729 525479200 /nfs/dbraw/zinc/47/92/00/525479200.db2.gz WJAZQDOXTXSQFG-UHFFFAOYSA-N 0 3 276.308 2.716 10 5 CFBEHN CCC(CC)(CO)NCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000096630404 185108043 /nfs/dbraw/zinc/10/80/43/185108043.db2.gz BIIUUDFTYFNGFR-UHFFFAOYSA-N 0 3 286.759 2.889 10 5 CFBEHN O=[N+]([O-])c1ccc(CNC[C@@H]2CCCC[C@@H]2O)c(Cl)c1 ZINC000085988248 179212762 /nfs/dbraw/zinc/21/27/62/179212762.db2.gz GXDPQGNRJFUTJA-FZMZJTMJSA-N 0 3 298.770 2.889 10 5 CFBEHN CCOC(=O)CCN[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000045686475 373027721 /nfs/dbraw/zinc/02/77/21/373027721.db2.gz QWDUXHXYMXQONQ-ZDUSSCGKSA-N 0 3 280.324 2.589 10 5 CFBEHN Cc1ccc(CN[C@H]2CCCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000135610588 378149976 /nfs/dbraw/zinc/14/99/76/378149976.db2.gz BUQUAGDEBMTHTR-DZGCQCFKSA-N 0 3 278.352 2.686 10 5 CFBEHN CC[C@@H](NCc1ccnc(N)c1)c1cccc([N+](=O)[O-])c1 ZINC000193526233 382720725 /nfs/dbraw/zinc/72/07/25/382720725.db2.gz FFFWGGOEYOECSW-CQSZACIVSA-N 0 3 286.335 2.813 10 5 CFBEHN CC[C@H](C)NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000037386448 173169530 /nfs/dbraw/zinc/16/95/30/173169530.db2.gz LQEORFBQMCRFGV-QMMMGPOBSA-N 0 3 285.731 2.575 10 5 CFBEHN N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC000038128920 174131825 /nfs/dbraw/zinc/13/18/25/174131825.db2.gz CVRSLCAEUAVAAS-AWEZNQCLSA-N 0 3 260.268 2.976 10 5 CFBEHN CN1CCC[C@@H](Nc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000040673592 174372347 /nfs/dbraw/zinc/37/23/47/174372347.db2.gz QUVDMIXWFCNXNR-LLVKDONJSA-N 0 3 286.335 2.649 10 5 CFBEHN Cc1cc([N+](=O)[O-])ccc1NC[C@H]1CCCCN1C ZINC000044563160 175206927 /nfs/dbraw/zinc/20/69/27/175206927.db2.gz PVZOTKREQGSQJQ-CYBMUJFWSA-N 0 3 263.341 2.799 10 5 CFBEHN C[C@@H](CNc1nc(Cl)ccc1[N+](=O)[O-])N1CCCCC1 ZINC000045014477 175290852 /nfs/dbraw/zinc/29/08/52/175290852.db2.gz JLELXHAMJZDGMY-JTQLQIEISA-N 0 3 298.774 2.930 10 5 CFBEHN CC(C)[C@H]1CCN(C(=O)OC(C)(C)C)CC1[N+](=O)[O-] ZINC000096032641 280386410 /nfs/dbraw/zinc/38/64/10/280386410.db2.gz OACDQRCAAUARHE-MNOVXSKESA-N 0 3 272.345 2.545 10 5 CFBEHN CC(C)(C)OC(=O)C(C)(C)[C@H](N)c1cccc([N+](=O)[O-])c1 ZINC000536960323 330384089 /nfs/dbraw/zinc/38/40/89/330384089.db2.gz YODLSEBXIURVBE-GFCCVEGCSA-N 0 3 294.351 2.963 10 5 CFBEHN CCNc1ccc([N+](=O)[O-])cc1CN(C)C(C)C ZINC000050792627 520328833 /nfs/dbraw/zinc/32/88/33/520328833.db2.gz DBWOUWDXJUZRTP-UHFFFAOYSA-N 0 3 251.330 2.867 10 5 CFBEHN CCC(CC)N(C)Cc1cc([N+](=O)[O-])ccc1N ZINC000050813940 521543811 /nfs/dbraw/zinc/54/38/11/521543811.db2.gz QZJSOUSZPIHPQF-UHFFFAOYSA-N 0 3 251.330 2.797 10 5 CFBEHN Cc1ccc([N+](=O)[O-])c(NCc2ccc3c(c2)CNC3)n1 ZINC000097829920 534327790 /nfs/dbraw/zinc/32/77/90/534327790.db2.gz AXIGVCCHIYYKQL-UHFFFAOYSA-N 0 3 284.319 2.514 10 5 CFBEHN CCNCc1ccc([N+](=O)[O-])c(O[C@H](C)CC)c1 ZINC000050516995 520001747 /nfs/dbraw/zinc/00/17/47/520001747.db2.gz YPNIUAIWMXNPKS-SNVBAGLBSA-N 0 3 252.314 2.882 10 5 CFBEHN CCNc1ccc(CN(CCCO)C(C)C)cc1[N+](=O)[O-] ZINC000050818071 520300117 /nfs/dbraw/zinc/30/01/17/520300117.db2.gz KQWHMNDYQPYOIO-UHFFFAOYSA-N 0 3 295.383 2.619 10 5 CFBEHN CNc1ccc(CN(CCOC)CC(C)C)cc1[N+](=O)[O-] ZINC000050815110 522607402 /nfs/dbraw/zinc/60/74/02/522607402.db2.gz YNEXZZCEHQTLOO-UHFFFAOYSA-N 0 3 295.383 2.741 10 5 CFBEHN Cc1cc(C)c(Oc2ncccc2C(=N)N)c([N+](=O)[O-])c1 ZINC000050441906 524312418 /nfs/dbraw/zinc/31/24/18/524312418.db2.gz PQINVNOAWMSFLY-UHFFFAOYSA-N 0 3 286.291 2.683 10 5 CFBEHN Cc1ccc(NCCN2CCCCC2)cc1[N+](=O)[O-] ZINC000061701007 525279113 /nfs/dbraw/zinc/27/91/13/525279113.db2.gz HRCIDQPPYZZYKW-UHFFFAOYSA-N 0 3 263.341 2.801 10 5 CFBEHN C[C@@H]1C[C@@H]1NCc1ccc(Br)c([N+](=O)[O-])c1 ZINC000052274034 525328771 /nfs/dbraw/zinc/32/87/71/525328771.db2.gz HCUGAXLBCJLPMJ-XCBNKYQSSA-N 0 3 285.141 2.855 10 5 CFBEHN N=C(N)c1cccnc1Oc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000050470327 526823928 /nfs/dbraw/zinc/82/39/28/526823928.db2.gz WKXNWUAPEKLKJL-UHFFFAOYSA-N 0 3 292.682 2.720 10 5 CFBEHN O=[N+]([O-])c1cc(Cl)ccc1CNCCc1ccncc1 ZINC000050443509 527332799 /nfs/dbraw/zinc/33/27/99/527332799.db2.gz RTXSXXVFEAJBQV-UHFFFAOYSA-N 0 3 291.738 2.976 10 5 CFBEHN O=[N+]([O-])c1cc(Cl)ccc1CN[C@H]1CCN(C2CC2)C1 ZINC000050443976 527334299 /nfs/dbraw/zinc/33/42/99/527334299.db2.gz DYQOLHFDTNVYHK-LBPRGKRZSA-N 0 3 295.770 2.575 10 5 CFBEHN CN1CCc2[nH]nc(-c3ccc(Cl)c([N+](=O)[O-])c3)c2C1 ZINC000082807702 178309977 /nfs/dbraw/zinc/30/99/77/178309977.db2.gz YRYFNJOXTGMIHS-UHFFFAOYSA-N 0 3 292.726 2.626 10 5 CFBEHN Cc1ccc(CN2CCC[C@@H]2CCCO)cc1[N+](=O)[O-] ZINC000092784890 347646743 /nfs/dbraw/zinc/64/67/43/347646743.db2.gz RBCLFOHOTCQHJZ-CQSZACIVSA-N 0 3 278.352 2.640 10 5 CFBEHN CC(C)Oc1cc(NC2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000213862956 348160843 /nfs/dbraw/zinc/16/08/43/348160843.db2.gz QHLFGJZHMIWQHL-UHFFFAOYSA-N 0 3 293.367 2.888 10 5 CFBEHN C[C@H](NC[C@@H]1CCC[C@@H](O)C1)c1ccccc1[N+](=O)[O-] ZINC000219233433 348168394 /nfs/dbraw/zinc/16/83/94/348168394.db2.gz YQBTVVABSAMXAC-YNEHKIRRSA-N 0 3 278.352 2.797 10 5 CFBEHN C[C@H](NCC1(O)CCSCC1)c1ccccc1[N+](=O)[O-] ZINC000610420511 351564897 /nfs/dbraw/zinc/56/48/97/351564897.db2.gz DITDURRUCDICEK-NSHDSACASA-N 0 3 296.392 2.504 10 5 CFBEHN CN(C)CCNC(=O)c1cccc2cc3ccccc3nc21 ZINC000003787606 371817569 /nfs/dbraw/zinc/81/75/69/371817569.db2.gz XBGNERSKEKDZDS-UHFFFAOYSA-N 0 3 293.370 2.679 10 5 investigational CFBEHN CCOC(=O)CCN[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000045686476 373026280 /nfs/dbraw/zinc/02/62/80/373026280.db2.gz QWDUXHXYMXQONQ-CYBMUJFWSA-N 0 3 280.324 2.589 10 5 CFBEHN C[C@@H](NCc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000093632674 375277625 /nfs/dbraw/zinc/27/76/25/375277625.db2.gz SVTDOYFOOVSLPZ-RNCFNFMXSA-N 0 3 284.743 2.905 10 5 CFBEHN CCC[C@@H](C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)N(C)C ZINC000136768713 378208593 /nfs/dbraw/zinc/20/85/93/378208593.db2.gz DHKOYKBSCWCBRQ-RISCZKNCSA-N 0 3 293.367 2.502 10 5 CFBEHN CN(C)C[C@@H](c1ccc([N+](=O)[O-])cc1)C1(O)CCCCC1 ZINC000026740456 171497375 /nfs/dbraw/zinc/49/73/75/171497375.db2.gz FVBFFORJALCGMO-HNNXBMFYSA-N 0 3 292.379 2.935 10 5 CFBEHN O=[N+]([O-])c1ccc(Cl)c(CN[C@H]2CCC[C@@H](O)C2)c1 ZINC000037165463 173000965 /nfs/dbraw/zinc/00/09/65/173000965.db2.gz RWQULQGGMJDZQJ-CMPLNLGQSA-N 0 3 284.743 2.641 10 5 CFBEHN O=[N+]([O-])c1cc(CNCC2CCC2)c(F)cc1F ZINC000037253929 173064494 /nfs/dbraw/zinc/06/44/94/173064494.db2.gz BGACQGFBBPEPEO-UHFFFAOYSA-N 0 3 256.252 2.763 10 5 CFBEHN CC[C@H](C)NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000037386512 173170321 /nfs/dbraw/zinc/17/03/21/173170321.db2.gz XATBUDHLAKVZQM-QMMMGPOBSA-N 0 3 285.731 2.575 10 5 CFBEHN CC[C@@H](NCCCC(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC000037416773 173194092 /nfs/dbraw/zinc/19/40/92/173194092.db2.gz NCOICTMROYNYDN-CYBMUJFWSA-N 0 3 280.324 2.589 10 5 CFBEHN N[C@H](Cc1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC000038128919 174131636 /nfs/dbraw/zinc/13/16/36/174131636.db2.gz CVRSLCAEUAVAAS-CQSZACIVSA-N 0 3 260.268 2.976 10 5 CFBEHN C[C@H](NC[C@@H]1CCCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000044561529 175205242 /nfs/dbraw/zinc/20/52/42/175205242.db2.gz SUVMMSBHPAYUCI-WFASDCNBSA-N 0 3 277.368 2.730 10 5 CFBEHN CN1CCCC[C@@H]1CNc1cccc(F)c1[N+](=O)[O-] ZINC000044563307 175207075 /nfs/dbraw/zinc/20/70/75/175207075.db2.gz BMTWSRVVAKNAKC-SNVBAGLBSA-N 0 3 267.304 2.630 10 5 CFBEHN CC(C)CCN(C)Cc1cc([N+](=O)[O-])ccc1N ZINC000050817649 519651059 /nfs/dbraw/zinc/65/10/59/519651059.db2.gz MYYNENKUUVWSJO-UHFFFAOYSA-N 0 3 251.330 2.655 10 5 CFBEHN CCCCCN(C)Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050813326 520152998 /nfs/dbraw/zinc/15/29/98/520152998.db2.gz COGVTIGAURNVBI-UHFFFAOYSA-N 0 3 251.330 2.799 10 5 CFBEHN CCCN(CC)Cc1cc([N+](=O)[O-])ccc1NC ZINC000050812871 521613052 /nfs/dbraw/zinc/61/30/52/521613052.db2.gz IFHWSYGYSVPKTJ-UHFFFAOYSA-N 0 3 251.330 2.868 10 5 CFBEHN CC(C)NCc1ccc([N+](=O)[O-])c(OC2CCOCC2)c1 ZINC000069289279 519727413 /nfs/dbraw/zinc/72/74/13/519727413.db2.gz ZOFPYUMOOXMUSS-UHFFFAOYSA-N 0 3 294.351 2.651 10 5 CFBEHN CC(C)[C@H](CN(C)C)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000049197424 519814783 /nfs/dbraw/zinc/81/47/83/519814783.db2.gz DUQNSNAPPRSLPY-JSGCOSHPSA-N 0 3 279.384 2.832 10 5 CFBEHN CO[C@H]1CCC[C@@H]1N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000050370294 523981396 /nfs/dbraw/zinc/98/13/96/523981396.db2.gz LVTACBFRRPMUOU-BPNCWPANSA-N 0 3 264.325 2.813 10 5 CFBEHN Cc1cc(NC(=O)[C@@H](N)C(C)(C)C)c([N+](=O)[O-])cc1C ZINC000050439780 525214145 /nfs/dbraw/zinc/21/41/45/525214145.db2.gz JFLLUVJJASXESM-GFCCVEGCSA-N 0 3 279.340 2.524 10 5 CFBEHN O=[N+]([O-])c1cc(Cl)ccc1CN1CCN2CCC[C@@H]2C1 ZINC000172021055 527332734 /nfs/dbraw/zinc/33/27/34/527332734.db2.gz QMLJZMAXXYTSDJ-CYBMUJFWSA-N 0 3 295.770 2.528 10 5 CFBEHN CCN1CCC[C@H](Nc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000052120026 373436910 /nfs/dbraw/zinc/43/69/10/373436910.db2.gz OUTRLXSWBMTFBN-NSHDSACASA-N 0 3 267.304 2.630 10 5 CFBEHN Cc1ccc(CN2CCN3CCCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000092616057 375131104 /nfs/dbraw/zinc/13/11/04/375131104.db2.gz LYHQUEQBJYNZHS-OAHLLOKOSA-N 0 3 289.379 2.573 10 5 CFBEHN CC(C)(C)NCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000094420333 375358619 /nfs/dbraw/zinc/35/86/19/375358619.db2.gz YWRBDKOVGYNLRJ-UHFFFAOYSA-N 0 3 285.731 2.575 10 5 CFBEHN CCN1CCC[C@H]1CN(C)c1cccc(OC)c1[N+](=O)[O-] ZINC000185512268 381655124 /nfs/dbraw/zinc/65/51/24/381655124.db2.gz RLFASHYRUKYUSS-LBPRGKRZSA-N 0 3 293.367 2.524 10 5 CFBEHN COc1cccc(N[C@H]2CN(C(C)C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000185552245 381663620 /nfs/dbraw/zinc/66/36/20/381663620.db2.gz WRAZUYASXZTYBO-AAEUAGOBSA-N 0 3 293.367 2.744 10 5 CFBEHN CC[C@@H](N[C@@H]1CCN(CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000389457783 382614318 /nfs/dbraw/zinc/61/43/18/382614318.db2.gz RQWUSHARGQGJMR-UKRRQHHQSA-N 0 3 277.368 2.730 10 5 CFBEHN Cc1cnc(NC[C@H]2NCCc3ccccc32)c([N+](=O)[O-])c1 ZINC000262510219 383624508 /nfs/dbraw/zinc/62/45/08/383624508.db2.gz MWFCOQFPGXKTAE-CQSZACIVSA-N 0 3 298.346 2.597 10 5 CFBEHN Cc1ccc([C@H](C)N[C@H]2CCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000249726397 131122169 /nfs/dbraw/zinc/12/21/69/131122169.db2.gz OPFXLHVFQMLPSH-CORIIIEPSA-N 0 3 278.352 2.857 10 5 CFBEHN CN(C)CCNC(=O)c1ccc2nc3ccccc3cc2c1 ZINC000005140443 170070336 /nfs/dbraw/zinc/07/03/36/170070336.db2.gz UONBXWFMVOLGBH-UHFFFAOYSA-N 0 3 293.370 2.679 10 5 CFBEHN CC[C@@H](C)[C@H](N)C(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000037018382 172880128 /nfs/dbraw/zinc/88/01/28/172880128.db2.gz XLXLRZBNWYOWOH-HQJQHLMTSA-N 0 3 285.731 2.560 10 5 CFBEHN COc1ccc(NC[C@@H](C)N2CCCCC2)c([N+](=O)[O-])c1 ZINC000038029325 174019428 /nfs/dbraw/zinc/01/94/28/174019428.db2.gz IDZAOYJRQKVEMJ-GFCCVEGCSA-N 0 3 293.367 2.890 10 5 CFBEHN CCN1CCC[C@H](NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000040502641 174298847 /nfs/dbraw/zinc/29/88/47/174298847.db2.gz WGWXAAFHSKXCJJ-LBPRGKRZSA-N 0 3 297.786 2.822 10 5 CFBEHN CCN1CCC[C@H](N[C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000040502585 174299004 /nfs/dbraw/zinc/29/90/04/174299004.db2.gz ZSWVFMJHDOXKLH-STQMWFEESA-N 0 3 277.368 2.730 10 5 CFBEHN CCN1CCC[C@H](N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000040502553 174299074 /nfs/dbraw/zinc/29/90/74/174299074.db2.gz ODKCITUNWCCQMA-JSGCOSHPSA-N 0 3 277.368 2.730 10 5 CFBEHN CN1CCC[C@@H](Nc2ccc([N+](=O)[O-])c3ncccc23)C1 ZINC000040673594 174371947 /nfs/dbraw/zinc/37/19/47/174371947.db2.gz TUUBTCSCKFBJOC-LLVKDONJSA-N 0 3 286.335 2.649 10 5 CFBEHN CNCc1ccc(-c2ccc([N+](=O)[O-])cc2F)o1 ZINC000043474329 175054336 /nfs/dbraw/zinc/05/43/36/175054336.db2.gz TYZCZHPXUGJJJQ-UHFFFAOYSA-N 0 3 250.229 2.713 10 5 CFBEHN C[C@H](NC[C@H]1CCCCN1C)c1ccc([N+](=O)[O-])cc1 ZINC000044561401 175205093 /nfs/dbraw/zinc/20/50/93/175205093.db2.gz LYPSBBKAOKWDIU-SWLSCSKDSA-N 0 3 277.368 2.730 10 5 CFBEHN C[C@H](NC[C@@H]1CCCCN1C)c1ccccc1[N+](=O)[O-] ZINC000044562108 175205465 /nfs/dbraw/zinc/20/54/65/175205465.db2.gz PUMOSRNLICJBJO-STQMWFEESA-N 0 3 277.368 2.730 10 5 CFBEHN CCCCN(CC)Cc1cc([N+](=O)[O-])ccc1N ZINC000050812313 520479291 /nfs/dbraw/zinc/47/92/91/520479291.db2.gz WIJFNWXOCAKQJL-UHFFFAOYSA-N 0 3 251.330 2.799 10 5 CFBEHN CCCCOc1cc(CNCC)ccc1[N+](=O)[O-] ZINC000050517005 520849115 /nfs/dbraw/zinc/84/91/15/520849115.db2.gz RNUWDHAXLGDDGM-UHFFFAOYSA-N 0 3 252.314 2.883 10 5 CFBEHN CC(C)(C)NCc1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1 ZINC000069236477 518768018 /nfs/dbraw/zinc/76/80/18/518768018.db2.gz YAUZVWIQQYNDJU-UHFFFAOYSA-N 0 3 274.324 2.873 10 5 CFBEHN CC(C)NCc1cc([N+](=O)[O-])ccc1OCCOC(C)C ZINC000049259115 519726783 /nfs/dbraw/zinc/72/67/83/519726783.db2.gz ORIBGXZBELOSBD-UHFFFAOYSA-N 0 3 296.367 2.897 10 5 CFBEHN CCCNCc1cc([N+](=O)[O-])ccc1OC1CCOCC1 ZINC000069288960 519947236 /nfs/dbraw/zinc/94/72/36/519947236.db2.gz CQKVQMQBXSNZQJ-UHFFFAOYSA-N 0 3 294.351 2.652 10 5 CFBEHN CCNCc1nccn1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000051004830 520023084 /nfs/dbraw/zinc/02/30/84/520023084.db2.gz MVBPCWSQIJGCTF-UHFFFAOYSA-N 0 3 294.742 2.603 10 5 CFBEHN CCCNc1ccc(CN(C)CC)cc1[N+](=O)[O-] ZINC000050812793 520155003 /nfs/dbraw/zinc/15/50/03/520155003.db2.gz ISGJIRPLFWMCLE-UHFFFAOYSA-N 0 3 251.330 2.868 10 5 CFBEHN CCNc1ccc(CN(C)CC2CC2)cc1[N+](=O)[O-] ZINC000050814582 520298813 /nfs/dbraw/zinc/29/88/13/520298813.db2.gz PZNPTHBFZSQHIX-UHFFFAOYSA-N 0 3 263.341 2.868 10 5 CFBEHN CCNc1ccc(CN(C)C[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000050815911 520299679 /nfs/dbraw/zinc/29/96/79/520299679.db2.gz VCUKOBGMPYZCLM-ZDUSSCGKSA-N 0 3 293.367 2.637 10 5 CFBEHN Cc1nc(NCc2ccc3c(c2)CNC3)ccc1[N+](=O)[O-] ZINC000097829700 534492114 /nfs/dbraw/zinc/49/21/14/534492114.db2.gz FFMIRGWFGSMGHS-UHFFFAOYSA-N 0 3 284.319 2.514 10 5 CFBEHN C[C@@H](Cc1ccsc1)NCc1ccc([N+](=O)[O-])o1 ZINC000049156495 524938869 /nfs/dbraw/zinc/93/88/69/524938869.db2.gz PHCRANPYEYNRQE-VIFPVBQESA-N 0 3 266.322 2.970 10 5 CFBEHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN2CCCC[C@H]2C1 ZINC000246182319 526078670 /nfs/dbraw/zinc/07/86/70/526078670.db2.gz KWFQXARKAWNMFX-BBRMVZONSA-N 0 3 289.379 2.826 10 5 CFBEHN O=[N+]([O-])c1ccc(NCCCNCc2cccnc2)cc1 ZINC000063197195 527363347 /nfs/dbraw/zinc/36/33/47/527363347.db2.gz XRLQJIYIBJNXOM-UHFFFAOYSA-N 0 3 286.335 2.582 10 5 CFBEHN CC[C@H]1Oc2c(cc(Br)cc2[N+](=O)[O-])[C@H]1N ZINC000757175807 617870102 /nfs/dbraw/zinc/87/01/02/617870102.db2.gz KDKMXXGOGUKAFQ-RKDXNWHRSA-N 0 3 287.113 2.528 10 5 CFBEHN O=[N+]([O-])c1ccc(Cl)cc1CNCC[C@@H]1CCCO1 ZINC000084439818 626015687 /nfs/dbraw/zinc/01/56/87/626015687.db2.gz RFMVLUUMHVLDBL-LBPRGKRZSA-N 0 3 284.743 2.907 10 5 CFBEHN CC[C@@H]1Oc2c(cc(Br)cc2[N+](=O)[O-])[C@H]1N ZINC000757175788 630875618 /nfs/dbraw/zinc/87/56/18/630875618.db2.gz KDKMXXGOGUKAFQ-DTWKUNHWSA-N 0 3 287.113 2.528 10 5 CFBEHN CCOC1CC(N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000124782323 187154396 /nfs/dbraw/zinc/15/43/96/187154396.db2.gz NUESYFBGVGXLQY-PWQPVHBWSA-N 0 3 264.325 2.813 10 5 CFBEHN C[C@H]1OCC[C@H]1NCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000134253205 377997056 /nfs/dbraw/zinc/99/70/56/377997056.db2.gz TYGHUQLJJWAPAJ-LDYMZIIASA-N 0 3 270.716 2.515 10 5 CFBEHN CCC[C@H](C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)N(C)C ZINC000136768669 378209507 /nfs/dbraw/zinc/20/95/07/378209507.db2.gz DHKOYKBSCWCBRQ-SMDDNHRTSA-N 0 3 293.367 2.502 10 5 CFBEHN Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCN2CCC[C@@H]2C1 ZINC000302805690 393495268 /nfs/dbraw/zinc/49/52/68/393495268.db2.gz FRRBWTYEEXWTTF-LLVKDONJSA-N 0 3 295.770 2.841 10 5 CFBEHN OCCN(CCO)Cc1cc2ccccc2c2ccccc12 ZINC000005518201 170107291 /nfs/dbraw/zinc/10/72/91/170107291.db2.gz JENUIKZGHXDKCC-UHFFFAOYSA-N 0 3 295.382 2.780 10 5 CFBEHN CCN(CC)CCN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000020526027 171238874 /nfs/dbraw/zinc/23/88/74/171238874.db2.gz SWAXGRFVLNDJNP-GFCCVEGCSA-N 0 3 265.357 2.587 10 5 CFBEHN CCCOc1ccc([N+](=O)[O-])cc1CNC(C)C ZINC000035414770 172189340 /nfs/dbraw/zinc/18/93/40/172189340.db2.gz WKUZRWSIQOPMIB-UHFFFAOYSA-N 0 3 252.314 2.882 10 5 CFBEHN O=C(CNC1CCCC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000037386873 173170067 /nfs/dbraw/zinc/17/00/67/173170067.db2.gz DYSSOOMLEYFSMN-UHFFFAOYSA-N 0 3 297.742 2.719 10 5 CFBEHN O=C(CNC1CCCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000037386889 173170683 /nfs/dbraw/zinc/17/06/83/173170683.db2.gz AJQKHVYMPZNBFI-UHFFFAOYSA-N 0 3 297.742 2.719 10 5 CFBEHN CC(C)[C@H](CN(C)C)Nc1ccccc1[N+](=O)[O-] ZINC000044386861 175170060 /nfs/dbraw/zinc/17/00/60/175170060.db2.gz XTKWXEXQRCUKGN-LBPRGKRZSA-N 0 3 251.330 2.593 10 5 CFBEHN Cc1ccc(NC[C@H]2CCCCN2C)c([N+](=O)[O-])c1 ZINC000044563164 175206649 /nfs/dbraw/zinc/20/66/49/175206649.db2.gz UTMDWJUMXZRBHE-GFCCVEGCSA-N 0 3 263.341 2.799 10 5 CFBEHN CC(C)CN(Cc1cc([N+](=O)[O-])ccc1N)C1CC1 ZINC000050815683 519718314 /nfs/dbraw/zinc/71/83/14/519718314.db2.gz XZAWTXMIOIRXMO-UHFFFAOYSA-N 0 3 263.341 2.797 10 5 CFBEHN CC(C)[C@@H](CN(C)C)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000049197427 519793947 /nfs/dbraw/zinc/79/39/47/519793947.db2.gz DUQNSNAPPRSLPY-TZMCWYRMSA-N 0 3 279.384 2.832 10 5 CFBEHN CCNCc1ccc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)o1 ZINC000051041467 519992709 /nfs/dbraw/zinc/99/27/09/519992709.db2.gz PUSMQLVKYRNNFS-UHFFFAOYSA-N 0 3 291.263 2.873 10 5 CFBEHN CCCNc1ccc(CN(CC)CCOC)cc1[N+](=O)[O-] ZINC000050816672 520155333 /nfs/dbraw/zinc/15/53/33/520155333.db2.gz IIDUCVUGNNROEE-UHFFFAOYSA-N 0 3 295.383 2.885 10 5 CFBEHN CCNc1ccc(CN(C)C(C)C)cc1[N+](=O)[O-] ZINC000050792624 520299469 /nfs/dbraw/zinc/29/94/69/520299469.db2.gz MPRQSAIKRADVHD-UHFFFAOYSA-N 0 3 251.330 2.867 10 5 CFBEHN CCCOc1cc(CNC(C)C)ccc1[N+](=O)[O-] ZINC000050517198 520306980 /nfs/dbraw/zinc/30/69/80/520306980.db2.gz WMCTVYSURJJHPK-UHFFFAOYSA-N 0 3 252.314 2.882 10 5 CFBEHN CCNc1ccc([N+](=O)[O-])cc1CN(CC)[C@H](C)COC ZINC000050814983 520331078 /nfs/dbraw/zinc/33/10/78/520331078.db2.gz YCGBPGPIWUWCOL-GFCCVEGCSA-N 0 3 295.383 2.883 10 5 CFBEHN CC[C@@H](C)[C@@H](N)C(=O)Nc1cc(C)c(C)cc1[N+](=O)[O-] ZINC000050439833 522302422 /nfs/dbraw/zinc/30/24/22/522302422.db2.gz UQCFLHYWOUAUGJ-AMIZOPFISA-N 0 3 279.340 2.524 10 5 CFBEHN CC[C@@H]1CCCCN1Cc1cc([N+](=O)[O-])ccc1N ZINC000050812886 523177558 /nfs/dbraw/zinc/17/75/58/523177558.db2.gz AJVGPHQGZQNXFF-GFCCVEGCSA-N 0 3 263.341 2.942 10 5 CFBEHN Cc1c(Cn2ccnc2CNC(C)C)cccc1[N+](=O)[O-] ZINC000051005569 525790870 /nfs/dbraw/zinc/79/08/70/525790870.db2.gz SUJBDKHNAIEKHU-UHFFFAOYSA-N 0 3 288.351 2.646 10 5 CFBEHN NCc1ccc([N+](=O)[O-])c(OCc2ccc(F)cc2F)c1 ZINC000050872087 527257971 /nfs/dbraw/zinc/25/79/71/527257971.db2.gz YKUDYENBZHLKSG-UHFFFAOYSA-N 0 3 294.257 2.911 10 5 CFBEHN COc1ccc([C@@H](N)c2cccc([N+](=O)[O-])c2)cc1 ZINC000141349640 347930429 /nfs/dbraw/zinc/93/04/29/347930429.db2.gz LTJFCKYWCAKQDQ-CQSZACIVSA-N 0 3 258.277 2.652 10 5 CFBEHN O=[N+]([O-])[C@]12Cc3ccccc3[C@H]1CN(Cc1ccccc1)C2 ZINC000225904508 348180642 /nfs/dbraw/zinc/18/06/42/348180642.db2.gz YHOPNRSCFKLSMQ-MSOLQXFVSA-N 0 3 294.354 2.858 10 5 CFBEHN Cc1cnn(CCN[C@@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000123943647 187114983 /nfs/dbraw/zinc/11/49/83/187114983.db2.gz TWLMVKANGHJRDM-ZDUSSCGKSA-N 0 3 288.351 2.759 10 5 CFBEHN O=c1c2ccccc2sc2c(C3=NCCN3)cccc12 ZINC000029551867 372382657 /nfs/dbraw/zinc/38/26/57/372382657.db2.gz AYHZAPMSNNBJCT-UHFFFAOYSA-N 0 3 280.352 2.765 10 5 CFBEHN CC1CCN(CCNc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000052120113 373437033 /nfs/dbraw/zinc/43/70/33/373437033.db2.gz CECQNIKJUCPGFT-UHFFFAOYSA-N 0 3 281.331 2.878 10 5 CFBEHN C[C@@H](NCc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000093632676 375277767 /nfs/dbraw/zinc/27/77/67/375277767.db2.gz SVTDOYFOOVSLPZ-NOZJJQNGSA-N 0 3 284.743 2.905 10 5 CFBEHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN2CCCC[C@@H]2C1 ZINC000172802846 379649425 /nfs/dbraw/zinc/64/94/25/379649425.db2.gz KWFQXARKAWNMFX-CZUORRHYSA-N 0 3 289.379 2.826 10 5 CFBEHN CCc1ccc([C@H](C)NCCn2cc([N+](=O)[O-])cn2)cc1 ZINC000174809863 379944493 /nfs/dbraw/zinc/94/44/93/379944493.db2.gz VTADVCAMTFVAJN-LBPRGKRZSA-N 0 3 288.351 2.705 10 5 CFBEHN CCN1CC[C@H](N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000389259017 382612381 /nfs/dbraw/zinc/61/23/81/382612381.db2.gz CVCXDFNFUOGAIX-OCCSQVGLSA-N 0 3 277.368 2.648 10 5 CFBEHN CN1CCCC[C@H]1CNc1ccc([N+](=O)[O-])cc1F ZINC000044563150 175206796 /nfs/dbraw/zinc/20/67/96/175206796.db2.gz WBTILRARKVDLJU-NSHDSACASA-N 0 3 267.304 2.630 10 5 CFBEHN O=[N+]([O-])c1ccc(Cl)cc1CNC[C@@H]1CCCC[C@@H]1O ZINC000077466052 177271984 /nfs/dbraw/zinc/27/19/84/177271984.db2.gz QTPRNJKIJXGTNJ-HZMBPMFUSA-N 0 3 298.770 2.889 10 5 CFBEHN CCN(CC)CCNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050443162 520687008 /nfs/dbraw/zinc/68/70/08/520687008.db2.gz HOMMQBGTZOQSAQ-UHFFFAOYSA-N 0 3 285.775 2.680 10 5 CFBEHN CCNCc1cc([N+](=O)[O-])ccc1OCCOC(C)C ZINC000049259111 519993613 /nfs/dbraw/zinc/99/36/13/519993613.db2.gz BFJLSKSLNUBIKL-UHFFFAOYSA-N 0 3 282.340 2.508 10 5 CFBEHN CCCCCOc1cc(CNC)ccc1[N+](=O)[O-] ZINC000050516833 520248518 /nfs/dbraw/zinc/24/85/18/520248518.db2.gz YMEALYHWHGUBBA-UHFFFAOYSA-N 0 3 252.314 2.883 10 5 CFBEHN CCNc1ccc(CN(C)[C@@H]2CCSC2)cc1[N+](=O)[O-] ZINC000050813310 520299024 /nfs/dbraw/zinc/29/90/24/520299024.db2.gz QMEURIJYQNXSDI-GFCCVEGCSA-N 0 3 295.408 2.964 10 5 CFBEHN CCC[C@@H](C)N(C)Cc1cc([N+](=O)[O-])ccc1N ZINC000050813977 520645062 /nfs/dbraw/zinc/64/50/62/520645062.db2.gz IMYLMQCCDOSRAA-SNVBAGLBSA-N 0 3 251.330 2.797 10 5 CFBEHN CCCN(C)Cc1ccc(NCC)c([N+](=O)[O-])c1 ZINC000050813195 521500404 /nfs/dbraw/zinc/50/04/04/521500404.db2.gz UAFIUCXUNNWUJS-UHFFFAOYSA-N 0 3 251.330 2.868 10 5 CFBEHN CNc1ccc(CN2C[C@H]3CC[C@@H]2C3)cc1[N+](=O)[O-] ZINC000050816079 522610923 /nfs/dbraw/zinc/61/09/23/522610923.db2.gz MMZSVOXBNHCIBU-CMPLNLGQSA-N 0 3 261.325 2.621 10 5 CFBEHN CNc1ccc([N+](=O)[O-])cc1CN(CCOC)CC(C)C ZINC000050815111 522644514 /nfs/dbraw/zinc/64/45/14/522644514.db2.gz GRUXBADEPCGXLI-UHFFFAOYSA-N 0 3 295.383 2.741 10 5 CFBEHN CC[C@H]1CCCN(Cc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000050813834 523092659 /nfs/dbraw/zinc/09/26/59/523092659.db2.gz HSAUVSYSCSRKEE-NSHDSACASA-N 0 3 263.341 2.799 10 5 CFBEHN C[C@@H](CN1CCCC1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000049150178 524592203 /nfs/dbraw/zinc/59/22/03/524592203.db2.gz KLGUCCZEQKFBFO-NSHDSACASA-N 0 3 297.786 2.822 10 5 CFBEHN C[C@@H]1C[C@H](C)CN(Cc2cc([N+](=O)[O-])ccc2N)C1 ZINC000050791966 525382501 /nfs/dbraw/zinc/38/25/01/525382501.db2.gz WHVXUCPRDYKHFK-PHIMTYICSA-N 0 3 263.341 2.655 10 5 CFBEHN COc1ccc([N+](=O)[O-])cc1CNC[C@H](C)CSC ZINC000069447559 525460212 /nfs/dbraw/zinc/46/02/12/525460212.db2.gz PYAGRRNTUZDQQT-JTQLQIEISA-N 0 3 284.381 2.692 10 5 CFBEHN NCc1ccc([N+](=O)[O-])c(OC2CCCCC2)c1 ZINC000050516437 527258153 /nfs/dbraw/zinc/25/81/53/527258153.db2.gz TYDXLSLFQGFLLV-UHFFFAOYSA-N 0 3 250.298 2.765 10 5 CFBEHN Nc1ccc([N+](=O)[O-])cc1CN1CCCCCCC1 ZINC000050812388 527504542 /nfs/dbraw/zinc/50/45/42/527504542.db2.gz LMFFTSKXCKJGHU-UHFFFAOYSA-N 0 3 263.341 2.943 10 5 CFBEHN Cc1nn(C)c(Oc2ccc([N+](=O)[O-])c(Cl)c2)c1CN ZINC000050471170 527680691 /nfs/dbraw/zinc/68/06/91/527680691.db2.gz KFOAXMOSNWDYHD-UHFFFAOYSA-N 0 3 296.714 2.541 10 5 CFBEHN O=[N+]([O-])c1cc(CNC[C@H]2CCCC[C@H]2O)ccc1Cl ZINC000096867628 185118817 /nfs/dbraw/zinc/11/88/17/185118817.db2.gz DUONBXOBNHVOPX-BXUZGUMPSA-N 0 3 298.770 2.889 10 5 CFBEHN O=[N+]([O-])c1cc(CNC[C@@H]2CCCC[C@H]2O)ccc1Cl ZINC000096867627 185118942 /nfs/dbraw/zinc/11/89/42/185118942.db2.gz DUONBXOBNHVOPX-SMDDNHRTSA-N 0 3 298.770 2.889 10 5 CFBEHN CC[C@H](NCCC(=O)N(C)CC)c1cccc([N+](=O)[O-])c1 ZINC000181548177 380824145 /nfs/dbraw/zinc/82/41/45/380824145.db2.gz RVTIRRDKGUDJLR-AWEZNQCLSA-N 0 3 293.367 2.504 10 5 CFBEHN CC[C@@H](NCC[C@H]1CCOC1=O)c1cccc([N+](=O)[O-])c1 ZINC000181558676 380826947 /nfs/dbraw/zinc/82/69/47/380826947.db2.gz STZAZXGJIMPTMJ-SMDDNHRTSA-N 0 3 292.335 2.589 10 5 CFBEHN N[C@H](CC(F)F)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000575437688 382770969 /nfs/dbraw/zinc/77/09/69/382770969.db2.gz OSYOSPYXNXKBPM-SSDOTTSWSA-N 0 3 250.632 2.903 10 5 CFBEHN CC(CO)(CO)NCc1ccc2ccc3ccccc3c2c1 ZINC000005761719 170138043 /nfs/dbraw/zinc/13/80/43/170138043.db2.gz HDYYWWYVFIEXQR-UHFFFAOYSA-N 0 3 295.382 2.826 10 5 CFBEHN N=C(N)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000020530030 171240530 /nfs/dbraw/zinc/24/05/30/171240530.db2.gz JOHRSQHIJZSTJT-UHFFFAOYSA-N 0 3 257.249 2.671 10 5 CFBEHN O=[N+]([O-])c1ccc(Cl)c(CN[C@@H]2CCC[C@H](O)C2)c1 ZINC000037165457 173000613 /nfs/dbraw/zinc/00/06/13/173000613.db2.gz RWQULQGGMJDZQJ-PWSUYJOCSA-N 0 3 284.743 2.641 10 5 CFBEHN O=[N+]([O-])c1ccccc1CNC[C@H]1Cc2ccccc2O1 ZINC000038009556 173975343 /nfs/dbraw/zinc/97/53/43/173975343.db2.gz KCQZPDXHIZUPAG-CQSZACIVSA-N 0 3 284.315 2.688 10 5 CFBEHN NCc1ccccc1Oc1ccc([N+](=O)[O-])cc1F ZINC000038082156 174091165 /nfs/dbraw/zinc/09/11/65/174091165.db2.gz VLQRFHGVYAVGHJ-UHFFFAOYSA-N 0 3 262.240 2.985 10 5 CFBEHN CCN1CCC[C@@H](N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000040502614 174298587 /nfs/dbraw/zinc/29/85/87/174298587.db2.gz RVAONPMLZDTITK-GXTWGEPZSA-N 0 3 277.368 2.730 10 5 CFBEHN CN1CCC[C@H](Nc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000040673595 174371862 /nfs/dbraw/zinc/37/18/62/174371862.db2.gz OOKFSNISHQYGEQ-NSHDSACASA-N 0 3 286.335 2.649 10 5 CFBEHN CN1CCC[C@H](Nc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000040673591 174372316 /nfs/dbraw/zinc/37/23/16/174372316.db2.gz QUVDMIXWFCNXNR-NSHDSACASA-N 0 3 286.335 2.649 10 5 CFBEHN NCc1ccc(OCCOc2ccccc2)c([N+](=O)[O-])c1 ZINC000043458008 175050420 /nfs/dbraw/zinc/05/04/20/175050420.db2.gz CXHMSWLAFZPCRX-UHFFFAOYSA-N 0 3 288.303 2.511 10 5 CFBEHN CC(C)[C@@H](CN(C)C)Nc1cccc(F)c1[N+](=O)[O-] ZINC000049218702 519794068 /nfs/dbraw/zinc/79/40/68/519794068.db2.gz MRZXGWBOWCHLSJ-GFCCVEGCSA-N 0 3 269.320 2.732 10 5 CFBEHN CCN1CCC[C@H](Nc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000061700871 521649571 /nfs/dbraw/zinc/64/95/71/521649571.db2.gz YKYSBHXWLJGQKM-ZDUSSCGKSA-N 0 3 263.341 2.799 10 5 CFBEHN CC[C@H](C)N(CCOC)Cc1cc([N+](=O)[O-])ccc1NC ZINC000050817012 523939614 /nfs/dbraw/zinc/93/96/14/523939614.db2.gz NOKXEVPRNPPCDM-LBPRGKRZSA-N 0 3 295.383 2.883 10 5 CFBEHN Cc1ccccc1COc1cc(CN)ccc1[N+](=O)[O-] ZINC000050516542 525171834 /nfs/dbraw/zinc/17/18/34/525171834.db2.gz RMVDAXOZKZOFBB-UHFFFAOYSA-N 0 3 272.304 2.941 10 5 CFBEHN Cc1ccnc(NC[C@@H]2NCCc3ccccc32)c1[N+](=O)[O-] ZINC000262492253 525694148 /nfs/dbraw/zinc/69/41/48/525694148.db2.gz LCUUUJACPVVZPZ-AWEZNQCLSA-N 0 3 298.346 2.597 10 5 CFBEHN O=[N+]([O-])c1ccc(Cl)c(CNCCN2CCCCC2)c1 ZINC000049574803 527355958 /nfs/dbraw/zinc/35/59/58/527355958.db2.gz JWJBVFXQADPCKL-UHFFFAOYSA-N 0 3 297.786 2.824 10 5 CFBEHN Cc1nn(C)c(Oc2c(C)cc(C)cc2[N+](=O)[O-])c1CN ZINC000050441951 527680282 /nfs/dbraw/zinc/68/02/82/527680282.db2.gz OGJUKNQIMNXUQP-UHFFFAOYSA-N 0 3 290.323 2.505 10 5 CFBEHN CC[C@@H]1Oc2c(c(Br)ccc2[N+](=O)[O-])[C@H]1N ZINC000757176014 617869103 /nfs/dbraw/zinc/86/91/03/617869103.db2.gz SLGSCULLRDBCDL-CBAPKCEASA-N 0 3 287.113 2.528 10 5 CFBEHN CC[C@H]1Oc2c(cc(Br)cc2[N+](=O)[O-])[C@@H]1N ZINC000757175787 630875454 /nfs/dbraw/zinc/87/54/54/630875454.db2.gz KDKMXXGOGUKAFQ-BDAKNGLRSA-N 0 3 287.113 2.528 10 5 CFBEHN CC[C@@H]1Oc2c(cc(Br)cc2[N+](=O)[O-])[C@@H]1N ZINC000757175799 630875517 /nfs/dbraw/zinc/87/55/17/630875517.db2.gz KDKMXXGOGUKAFQ-IUCAKERBSA-N 0 3 287.113 2.528 10 5 CFBEHN CC[C@H](COC)NCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000096811870 185115899 /nfs/dbraw/zinc/11/58/99/185115899.db2.gz QCWWADKTYUOHJQ-SNVBAGLBSA-N 0 3 272.732 2.763 10 5 CFBEHN O=[N+]([O-])c1cc(CNC[C@@H]2CCCC[C@@H]2O)ccc1Cl ZINC000096867625 185119099 /nfs/dbraw/zinc/11/90/99/185119099.db2.gz DUONBXOBNHVOPX-FZMZJTMJSA-N 0 3 298.770 2.889 10 5 CFBEHN CO[C@H](C)[C@@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000145431200 347942964 /nfs/dbraw/zinc/94/29/64/347942964.db2.gz XSSJNERTFYGTSL-RISCZKNCSA-N 0 3 264.325 2.594 10 5 CFBEHN C[C@H](N[C@H]1CCC[C@@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000217620788 348165135 /nfs/dbraw/zinc/16/51/35/348165135.db2.gz QQCOPMFDKCWOCL-VHRBIJSZSA-N 0 3 264.325 2.549 10 5 CFBEHN O=[N+]([O-])[C@@]12Cc3ccccc3[C@@H]1CN(Cc1ccccc1)C2 ZINC000584606067 348688103 /nfs/dbraw/zinc/68/81/03/348688103.db2.gz YHOPNRSCFKLSMQ-ZWKOTPCHSA-N 0 3 294.354 2.858 10 5 CFBEHN O=[N+]([O-])c1cc(CNC[C@H]2CCCCO2)ccc1Cl ZINC000109460959 186253568 /nfs/dbraw/zinc/25/35/68/186253568.db2.gz HSSWLRLNHCTRSM-LLVKDONJSA-N 0 3 284.743 2.907 10 5 CFBEHN CC[C@@H](NC1CSC1)c1cccc([N+](=O)[O-])c1 ZINC000611564156 351709700 /nfs/dbraw/zinc/70/97/00/351709700.db2.gz RVEGKBPBYFASDA-GFCCVEGCSA-N 0 3 252.339 2.751 10 5 CFBEHN CC(C)[C@H](C)N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000016518592 372108476 /nfs/dbraw/zinc/10/84/76/372108476.db2.gz RZNCCVYBIWRNOZ-WDEREUQCSA-N 0 3 279.340 2.556 10 5 CFBEHN CC(C)[C@H](C)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000016518590 372108724 /nfs/dbraw/zinc/10/87/24/372108724.db2.gz RZNCCVYBIWRNOZ-QWRGUYRKSA-N 0 3 279.340 2.556 10 5 CFBEHN C[C@H](NCc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000093632675 375276983 /nfs/dbraw/zinc/27/69/83/375276983.db2.gz SVTDOYFOOVSLPZ-TVQRCGJNSA-N 0 3 284.743 2.905 10 5 CFBEHN C[C@H](NCCn1cc([N+](=O)[O-])cn1)c1cccc(Cl)c1 ZINC000130984264 377641518 /nfs/dbraw/zinc/64/15/18/377641518.db2.gz IQYISHUSWBUKHE-JTQLQIEISA-N 0 3 294.742 2.796 10 5 CFBEHN CC[C@H](N[C@@H]1CCN(CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000389457781 382613868 /nfs/dbraw/zinc/61/38/68/382613868.db2.gz RQWUSHARGQGJMR-HIFRSBDPSA-N 0 3 277.368 2.730 10 5 CFBEHN Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1NCCc2ccccc21 ZINC000262432012 383620958 /nfs/dbraw/zinc/62/09/58/383620958.db2.gz FYOVWIKMRHDRSB-HNNXBMFYSA-N 0 3 298.346 2.597 10 5 CFBEHN Cc1cc([N+](=O)[O-])cnc1NC[C@H]1NCCc2ccccc21 ZINC000262432032 383621164 /nfs/dbraw/zinc/62/11/64/383621164.db2.gz FYOVWIKMRHDRSB-OAHLLOKOSA-N 0 3 298.346 2.597 10 5 CFBEHN Cc1cc([N+](=O)[O-])ccc1N1CCN2CCCC[C@H]2C1 ZINC000301423301 393470677 /nfs/dbraw/zinc/47/06/77/393470677.db2.gz AOGWCZGEXRSRPO-AWEZNQCLSA-N 0 3 275.352 2.578 10 5 CFBEHN Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCN2CCC[C@H]2C1 ZINC000302805691 393495861 /nfs/dbraw/zinc/49/58/61/393495861.db2.gz FRRBWTYEEXWTTF-NSHDSACASA-N 0 3 295.770 2.841 10 5 CFBEHN CN(C)CCOc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000035635815 172320447 /nfs/dbraw/zinc/32/04/47/172320447.db2.gz YQMTVUHCHYLFTB-UHFFFAOYSA-N 0 3 278.230 2.554 10 5 CFBEHN CN[C@@H](Cc1cccs1)c1ccc([N+](=O)[O-])o1 ZINC000038132727 174132484 /nfs/dbraw/zinc/13/24/84/174132484.db2.gz HOEBKJFKFPQQHE-VIFPVBQESA-N 0 3 252.295 2.753 10 5 CFBEHN CN1CCC[C@H](Nc2ccc([N+](=O)[O-])c3ncccc23)C1 ZINC000040673593 174372116 /nfs/dbraw/zinc/37/21/16/174372116.db2.gz TUUBTCSCKFBJOC-NSHDSACASA-N 0 3 286.335 2.649 10 5 CFBEHN CCN1CCC[C@H](Nc2cc(C)c([N+](=O)[O-])cc2F)C1 ZINC000312680207 270289250 /nfs/dbraw/zinc/28/92/50/270289250.db2.gz CXOZNVLORAMFPM-NSHDSACASA-N 0 3 281.331 2.939 10 5 CFBEHN C[C@H](NCCOCC1CC1)c1ccccc1[N+](=O)[O-] ZINC000231666134 322433696 /nfs/dbraw/zinc/43/36/96/322433696.db2.gz PZSDCPWSNGKWMA-NSHDSACASA-N 0 3 264.325 2.672 10 5 CFBEHN CCCCCN(C)Cc1cc([N+](=O)[O-])ccc1N ZINC000050813327 520152056 /nfs/dbraw/zinc/15/20/56/520152056.db2.gz RUSIZBQRPMHLLH-UHFFFAOYSA-N 0 3 251.330 2.799 10 5 CFBEHN CCC(O)(CC)CN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000087013947 521657332 /nfs/dbraw/zinc/65/73/32/521657332.db2.gz YKHWKRBRAPHYMV-LLVKDONJSA-N 0 3 266.341 2.797 10 5 CFBEHN CCNc1ccc(CN(C)C[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000050815912 520299181 /nfs/dbraw/zinc/29/91/81/520299181.db2.gz VCUKOBGMPYZCLM-CYBMUJFWSA-N 0 3 293.367 2.637 10 5 CFBEHN CCCCN(CCO)Cc1cc([N+](=O)[O-])ccc1NCC ZINC000050815557 520523782 /nfs/dbraw/zinc/52/37/82/520523782.db2.gz NZRHNHCEOVJKEA-UHFFFAOYSA-N 0 3 295.383 2.621 10 5 CFBEHN C[C@@H](Cn1ccnc1)NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050443748 524961568 /nfs/dbraw/zinc/96/15/68/524961568.db2.gz FOMDQDFVXZNOMM-JTQLQIEISA-N 0 3 294.742 2.623 10 5 CFBEHN N=C(N)c1c(F)cccc1Oc1cccc([N+](=O)[O-])c1 ZINC000062714857 526819584 /nfs/dbraw/zinc/81/95/84/526819584.db2.gz LLQWCTMONBZGQW-UHFFFAOYSA-N 0 3 275.239 2.810 10 5 CFBEHN O=[N+]([O-])c1cc(Cl)ccc1CNCCc1cccnc1 ZINC000050443506 527332557 /nfs/dbraw/zinc/33/25/57/527332557.db2.gz ZNPAPIDIDWTRCE-UHFFFAOYSA-N 0 3 291.738 2.976 10 5 CFBEHN Nc1ccc(CN2CCCCCCC2)cc1[N+](=O)[O-] ZINC000050812387 527482203 /nfs/dbraw/zinc/48/22/03/527482203.db2.gz IJDXLAOFUQHIFQ-UHFFFAOYSA-N 0 3 263.341 2.943 10 5 CFBEHN O=[N+]([O-])c1cc(CNC[C@H]2CCCC[C@@H]2O)ccc1Cl ZINC000096867626 185119576 /nfs/dbraw/zinc/11/95/76/185119576.db2.gz DUONBXOBNHVOPX-RISCZKNCSA-N 0 3 298.770 2.889 10 5 CFBEHN O=[N+]([O-])c1cc(CNCC2(O)CCCC2)ccc1Cl ZINC000096479220 232180606 /nfs/dbraw/zinc/18/06/06/232180606.db2.gz REEGICAQOPETFZ-UHFFFAOYSA-N 0 3 284.743 2.643 10 5 CFBEHN CC[C@H](NC(=O)CN(C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000177796078 189070519 /nfs/dbraw/zinc/07/05/19/189070519.db2.gz AROGSVYCAVSGEU-AWEZNQCLSA-N 0 3 293.367 2.502 10 5 CFBEHN O=[N+]([O-])c1ccc(F)cc1NCCN1CCCCC1 ZINC000052120547 373437191 /nfs/dbraw/zinc/43/71/91/373437191.db2.gz RABDVNJINLUIOF-UHFFFAOYSA-N 0 3 267.304 2.632 10 5 CFBEHN CCN1CCC[C@@H](Nc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000052120028 373438243 /nfs/dbraw/zinc/43/82/43/373438243.db2.gz OUTRLXSWBMTFBN-LLVKDONJSA-N 0 3 267.304 2.630 10 5 CFBEHN C[C@H]1CN(CCc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000171690651 379373547 /nfs/dbraw/zinc/37/35/47/379373547.db2.gz GIMSBBMWTRZAOL-NSHDSACASA-N 0 3 266.366 2.575 10 5 CFBEHN CC[C@@H](NCc1[nH]ncc1C)c1cccc([N+](=O)[O-])c1 ZINC000289560155 381043605 /nfs/dbraw/zinc/04/36/05/381043605.db2.gz QWZHWYFLXNZRFY-CYBMUJFWSA-N 0 3 274.324 2.867 10 5 CFBEHN CCN(CC)CCN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000020526026 171238864 /nfs/dbraw/zinc/23/88/64/171238864.db2.gz SWAXGRFVLNDJNP-LBPRGKRZSA-N 0 3 265.357 2.587 10 5 CFBEHN C=COCCCN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000020526266 171239402 /nfs/dbraw/zinc/23/94/02/171239402.db2.gz UJCOGRLOLMLWIX-LLVKDONJSA-N 0 3 250.298 2.796 10 5 CFBEHN NCc1cc([N+](=O)[O-])ccc1OC1CCCCC1 ZINC000035414555 172188373 /nfs/dbraw/zinc/18/83/73/172188373.db2.gz NSLQAKOTWKVPMD-UHFFFAOYSA-N 0 3 250.298 2.765 10 5 CFBEHN CN1CCC[C@@H](Nc2ccc3scnc3c2[N+](=O)[O-])C1 ZINC000040673510 174372449 /nfs/dbraw/zinc/37/24/49/174372449.db2.gz WNWGKSGUDPSCNM-SECBINFHSA-N 0 3 292.364 2.711 10 5 CFBEHN CC(C)(C)OC(=O)C(C)(C)[C@@H](N)c1cccc([N+](=O)[O-])c1 ZINC000536960324 330384131 /nfs/dbraw/zinc/38/41/31/330384131.db2.gz YODLSEBXIURVBE-LBPRGKRZSA-N 0 3 294.351 2.963 10 5 CFBEHN CC(C)NCc1ccc(OC2CCOCC2)c([N+](=O)[O-])c1 ZINC000069288630 519726730 /nfs/dbraw/zinc/72/67/30/519726730.db2.gz CCKDGPMMJQUOCH-UHFFFAOYSA-N 0 3 294.351 2.651 10 5 CFBEHN CC(C)Oc1cc(CNC2CC2)ccc1[N+](=O)[O-] ZINC000050517292 519778039 /nfs/dbraw/zinc/77/80/39/519778039.db2.gz OUBGICXGQBJYPT-UHFFFAOYSA-N 0 3 250.298 2.634 10 5 CFBEHN CCC[C@](C)(N)C(=O)Nc1cc(C)c(C)cc1[N+](=O)[O-] ZINC000050439894 521277878 /nfs/dbraw/zinc/27/78/78/521277878.db2.gz OHWHOWOWFLVOPJ-AWEZNQCLSA-N 0 3 279.340 2.668 10 5 CFBEHN CCN1CCC[C@@H](Nc2nc(Cl)ccc2[N+](=O)[O-])C1 ZINC000049231041 521626686 /nfs/dbraw/zinc/62/66/86/521626686.db2.gz YCZJOGGZKBFFJR-SECBINFHSA-N 0 3 284.747 2.539 10 5 CFBEHN CNc1ccc([N+](=O)[O-])cc1CN(C)[C@H](C)C1CC1 ZINC000050813799 522644169 /nfs/dbraw/zinc/64/41/69/522644169.db2.gz VPHTVTHCJQLRDR-SNVBAGLBSA-N 0 3 263.341 2.867 10 5 CFBEHN COc1cc([N+](=O)[O-])ccc1Oc1ccc(F)cc1CN ZINC000050505896 522986687 /nfs/dbraw/zinc/98/66/87/522986687.db2.gz AXVKREAIHPJDIX-UHFFFAOYSA-N 0 3 292.266 2.994 10 5 CFBEHN C[C@H](CN1CCCC1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000049150181 524315441 /nfs/dbraw/zinc/31/54/41/524315441.db2.gz KLGUCCZEQKFBFO-LLVKDONJSA-N 0 3 297.786 2.822 10 5 CFBEHN C[C@H](CN1CCCC1)Nc1nc(Cl)ccc1[N+](=O)[O-] ZINC000049188507 524321921 /nfs/dbraw/zinc/32/19/21/524321921.db2.gz LZKQCIQDWALMTB-SECBINFHSA-N 0 3 284.747 2.539 10 5 CFBEHN Cc1cc(NC(=O)[C@@H](N)CC(C)C)c([N+](=O)[O-])cc1C ZINC000050439786 525213796 /nfs/dbraw/zinc/21/37/96/525213796.db2.gz AGBKSZPVPBLZRE-NSHDSACASA-N 0 3 279.340 2.524 10 5 CFBEHN O=[N+]([O-])c1cc(F)cc(NCCN2CCCCC2)c1 ZINC000049575279 527336668 /nfs/dbraw/zinc/33/66/68/527336668.db2.gz ZBVKIFDEHBPDQE-UHFFFAOYSA-N 0 3 267.304 2.632 10 5 CFBEHN O=[N+]([O-])c1ccc(Cl)nc1NCCN1CCCCC1 ZINC000049575873 527355801 /nfs/dbraw/zinc/35/58/01/527355801.db2.gz BVPAHBZILXMJJG-UHFFFAOYSA-N 0 3 284.747 2.541 10 5 CFBEHN Cc1ccc([C@H](C)N[C@H]2CCC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000037163565 346327666 /nfs/dbraw/zinc/32/76/66/346327666.db2.gz ZBXRSVXVNMWKPC-UBHSHLNASA-N 0 3 278.352 2.857 10 5 CFBEHN CN(C)CCOc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000114627942 347774220 /nfs/dbraw/zinc/77/42/20/347774220.db2.gz RISUPFDXFWQPFW-UHFFFAOYSA-N 0 3 278.230 2.554 10 5 CFBEHN C[C@H](N[C@H]1CCC[C@@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000217628176 348165293 /nfs/dbraw/zinc/16/52/93/348165293.db2.gz AYEBLQSGUISVRD-VHRBIJSZSA-N 0 3 264.325 2.549 10 5 CFBEHN C[C@@H]1C[C@@H](CNCc2csc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000282172191 385235895 /nfs/dbraw/zinc/23/58/95/385235895.db2.gz JJCVCZJCWGRIOX-JGPRNRPPSA-N 0 3 284.381 2.950 10 5 CFBEHN Cc1ccc([C@H](C)NCCn2ccc([N+](=O)[O-])n2)cc1F ZINC000181337948 393493736 /nfs/dbraw/zinc/49/37/36/393493736.db2.gz AWMKOFXJLABIHU-NSHDSACASA-N 0 3 292.314 2.590 10 5 CFBEHN CC([C@@H](NC(=O)c1ccccc1)c1ccccc1)[N+](=O)[O-] ZINC000005368414 170090213 /nfs/dbraw/zinc/09/02/13/170090213.db2.gz ODMUXDXARITHSZ-SWLSCSKDSA-N 0 3 284.315 2.823 10 5 CFBEHN CN(C)C[C@H](c1ccc([N+](=O)[O-])cc1)C1(O)CCCCC1 ZINC000026740461 171497949 /nfs/dbraw/zinc/49/79/49/171497949.db2.gz FVBFFORJALCGMO-OAHLLOKOSA-N 0 3 292.379 2.935 10 5 CFBEHN O=[N+]([O-])c1ccc(CNCC2CC2)c(Br)c1 ZINC000037460573 173224968 /nfs/dbraw/zinc/22/49/68/173224968.db2.gz PXFUTUSCLTXPBM-UHFFFAOYSA-N 0 3 285.141 2.857 10 5 CFBEHN CN1CCC[C@H](Nc2ccc3scnc3c2[N+](=O)[O-])C1 ZINC000040673509 174372102 /nfs/dbraw/zinc/37/21/02/174372102.db2.gz WNWGKSGUDPSCNM-VIFPVBQESA-N 0 3 292.364 2.711 10 5 CFBEHN CCN1CCC[C@H](Nc2cc(C)ccc2[N+](=O)[O-])C1 ZINC000094659467 265248732 /nfs/dbraw/zinc/24/87/32/265248732.db2.gz GSVCREJZHXLHON-LBPRGKRZSA-N 0 3 263.341 2.799 10 5 CFBEHN CC[C@@H](C)N(C)Cc1cc([N+](=O)[O-])ccc1NC ZINC000050813061 522063854 /nfs/dbraw/zinc/06/38/54/522063854.db2.gz HQNWKTBYYMWYKU-SNVBAGLBSA-N 0 3 251.330 2.867 10 5 CFBEHN CC(C)(C)NCc1nccn1Cc1ccc([N+](=O)[O-])cc1 ZINC000051015395 518768816 /nfs/dbraw/zinc/76/88/16/518768816.db2.gz KFQXHLOQQZYFRU-UHFFFAOYSA-N 0 3 288.351 2.728 10 5 CFBEHN CC(C)NCc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000050517207 519727206 /nfs/dbraw/zinc/72/72/06/519727206.db2.gz XVFXOIRQJIKSSO-UHFFFAOYSA-N 0 3 260.240 2.694 10 5 CFBEHN CCCNCc1cc([N+](=O)[O-])ccc1OCCOC(C)C ZINC000049259113 519948819 /nfs/dbraw/zinc/94/88/19/519948819.db2.gz POYJXACIROKQAX-UHFFFAOYSA-N 0 3 296.367 2.898 10 5 CFBEHN CNCc1ccc([N+](=O)[O-])c(OCC2CCCC2)c1 ZINC000050516638 522125139 /nfs/dbraw/zinc/12/51/39/522125139.db2.gz GVMKWRICIKSNFN-UHFFFAOYSA-N 0 3 264.325 2.883 10 5 CFBEHN CNc1ccc([N+](=O)[O-])cc1CN(C)[C@@H]1CCSC1 ZINC000050813314 522646001 /nfs/dbraw/zinc/64/60/01/522646001.db2.gz CPWMPGJQDAXGSZ-GFCCVEGCSA-N 0 3 281.381 2.574 10 5 CFBEHN Cc1ccc(COc2cc(CN)ccc2[N+](=O)[O-])cc1 ZINC000050516609 524626029 /nfs/dbraw/zinc/62/60/29/524626029.db2.gz RXDAENXNULUGJI-UHFFFAOYSA-N 0 3 272.304 2.941 10 5 CFBEHN C[C@H]1C[C@H]1NCc1ccc(Br)c([N+](=O)[O-])c1 ZINC000052274039 524963021 /nfs/dbraw/zinc/96/30/21/524963021.db2.gz HCUGAXLBCJLPMJ-OIBJUYFYSA-N 0 3 285.141 2.855 10 5 CFBEHN Cc1c(CN2CCN3CCCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000246145118 525705457 /nfs/dbraw/zinc/70/54/57/525705457.db2.gz FHIIIBLDEXOHHG-HNNXBMFYSA-N 0 3 289.379 2.573 10 5 CFBEHN NCc1ccc(OCc2ccc(F)cc2F)c([N+](=O)[O-])c1 ZINC000050871968 527257469 /nfs/dbraw/zinc/25/74/69/527257469.db2.gz BJCKQFRFIDCOET-UHFFFAOYSA-N 0 3 294.257 2.911 10 5 CFBEHN O=[N+]([O-])c1cc(CNC2CCC2)ccc1Br ZINC000052208197 527328948 /nfs/dbraw/zinc/32/89/48/527328948.db2.gz MGZRJERWZNACEA-UHFFFAOYSA-N 0 3 285.141 2.999 10 5 CFBEHN C[C@H](N[C@H]1CCC[C@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000037163510 346327840 /nfs/dbraw/zinc/32/78/40/346327840.db2.gz QQCOPMFDKCWOCL-JKOKRWQUSA-N 0 3 264.325 2.549 10 5 CFBEHN Cc1ccc([C@H](C)N[C@@H]2CCC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000217622344 348165286 /nfs/dbraw/zinc/16/52/86/348165286.db2.gz ZBXRSVXVNMWKPC-IACUBPJLSA-N 0 3 278.352 2.857 10 5 CFBEHN CCc1ccc([C@@H](C)NCCn2cc([N+](=O)[O-])cn2)cc1 ZINC000174809854 188919646 /nfs/dbraw/zinc/91/96/46/188919646.db2.gz VTADVCAMTFVAJN-GFCCVEGCSA-N 0 3 288.351 2.705 10 5 CFBEHN CC[C@@H](NC(=O)CN(CC)CC)c1cccc([N+](=O)[O-])c1 ZINC000177788745 189069465 /nfs/dbraw/zinc/06/94/65/189069465.db2.gz KKKDXYNQTDESDU-CQSZACIVSA-N 0 3 293.367 2.504 10 5 CFBEHN CC(C)[C@@H](C)N[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000016518599 372108501 /nfs/dbraw/zinc/10/85/01/372108501.db2.gz MIBFDCITSMDLCG-GHMZBOCLSA-N 0 3 279.340 2.556 10 5 CFBEHN CC(C)[C@H](C)N[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000016518600 372108959 /nfs/dbraw/zinc/10/89/59/372108959.db2.gz MIBFDCITSMDLCG-WDEREUQCSA-N 0 3 279.340 2.556 10 5 CFBEHN CC(C)[C@@H](C)N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000016518591 372109055 /nfs/dbraw/zinc/10/90/55/372109055.db2.gz RZNCCVYBIWRNOZ-GHMZBOCLSA-N 0 3 279.340 2.556 10 5 CFBEHN CC(C)[C@H]1CCN(C(=O)OC(C)(C)C)CC1[N+](=O)[O-] ZINC000096032642 375468918 /nfs/dbraw/zinc/46/89/18/375468918.db2.gz OACDQRCAAUARHE-GHMZBOCLSA-N 0 3 272.345 2.545 10 5 CFBEHN CCN1CC[C@H](Nc2cc(C)c([N+](=O)[O-])cc2F)C1 ZINC000389257693 382613363 /nfs/dbraw/zinc/61/33/63/382613363.db2.gz COGCLBXVSRGFEC-JTQLQIEISA-N 0 3 267.304 2.548 10 5 CFBEHN C[C@@H]1C[C@@H](CNCc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000282141336 385224917 /nfs/dbraw/zinc/22/49/17/385224917.db2.gz GYTNCQXNMOCXJZ-CLLJXQQHSA-N 0 3 278.352 2.888 10 5 CFBEHN CNCc1cc([N+](=O)[O-])ccc1OC1CCCC1 ZINC000035414670 172188421 /nfs/dbraw/zinc/18/84/21/172188421.db2.gz XJZPHPUWDDCFEM-UHFFFAOYSA-N 0 3 250.298 2.636 10 5 CFBEHN N[C@@H](Cc1nc2ccccc2[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000035576257 172273227 /nfs/dbraw/zinc/27/32/27/172273227.db2.gz HPVMOHKTESMWFU-LBPRGKRZSA-N 0 3 282.303 2.714 10 5 CFBEHN O=[N+]([O-])c1ccc(F)cc1CNCCc1ccco1 ZINC000038059498 174069180 /nfs/dbraw/zinc/06/91/80/174069180.db2.gz NOORRLTWTXXCFF-UHFFFAOYSA-N 0 3 264.256 2.659 10 5 CFBEHN NCc1cc(F)ccc1Oc1cccc([N+](=O)[O-])c1 ZINC000038080494 174090091 /nfs/dbraw/zinc/09/00/91/174090091.db2.gz GXOVHMOOXNMAQZ-UHFFFAOYSA-N 0 3 262.240 2.985 10 5 CFBEHN C[C@H](CNc1ccc2scnc2c1[N+](=O)[O-])N(C)C ZINC000038089163 174102573 /nfs/dbraw/zinc/10/25/73/174102573.db2.gz UJROCPXDAYOMOR-MRVPVSSYSA-N 0 3 280.353 2.567 10 5 CFBEHN CCN1CCC[C@@H](NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000040502642 174299065 /nfs/dbraw/zinc/29/90/65/174299065.db2.gz WGWXAAFHSKXCJJ-GFCCVEGCSA-N 0 3 297.786 2.822 10 5 CFBEHN CN1CCC[C@H](Nc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000040673489 174372087 /nfs/dbraw/zinc/37/20/87/174372087.db2.gz QRSRFVUWKXDUMW-NSHDSACASA-N 0 3 286.335 2.649 10 5 CFBEHN C[C@@H](NC[C@@H]1CCCCN1C)c1ccc([N+](=O)[O-])cc1 ZINC000044561400 175204581 /nfs/dbraw/zinc/20/45/81/175204581.db2.gz LYPSBBKAOKWDIU-DOMZBBRYSA-N 0 3 277.368 2.730 10 5 CFBEHN C[C@H](NC[C@@H]1CCCCN1C)c1ccc([N+](=O)[O-])cc1 ZINC000044561399 175205209 /nfs/dbraw/zinc/20/52/09/175205209.db2.gz LYPSBBKAOKWDIU-WFASDCNBSA-N 0 3 277.368 2.730 10 5 CFBEHN CCCNCc1nc(-c2cccc([N+](=O)[O-])c2)c(C)[nH]1 ZINC000044652036 175225031 /nfs/dbraw/zinc/22/50/31/175225031.db2.gz UIEIOBPWIMFGRZ-UHFFFAOYSA-N 0 3 274.324 2.793 10 5 CFBEHN O=[N+]([O-])c1ccccc1-c1ncc(CNC2CC2)s1 ZINC000044732098 175240893 /nfs/dbraw/zinc/24/08/93/175240893.db2.gz JNVNGMBMMIAMJP-UHFFFAOYSA-N 0 3 275.333 2.970 10 5 CFBEHN CC(C)(C)CCOc1ccc([N+](=O)[O-])cc1CN ZINC000049254176 518654715 /nfs/dbraw/zinc/65/47/15/518654715.db2.gz HEYBALVRJOGAJN-UHFFFAOYSA-N 0 3 252.314 2.869 10 5 CFBEHN CCCNCc1nccn1CCc1ccc([N+](=O)[O-])cc1 ZINC000051005194 519968017 /nfs/dbraw/zinc/96/80/17/519968017.db2.gz OSDOKELHRITLKW-UHFFFAOYSA-N 0 3 288.351 2.534 10 5 CFBEHN CCNc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](C)C1 ZINC000050814688 520330508 /nfs/dbraw/zinc/33/05/08/520330508.db2.gz VXNHFBYZKJQLPU-LLVKDONJSA-N 0 3 263.341 2.868 10 5 CFBEHN CCCCN(C)Cc1cc([N+](=O)[O-])ccc1NC ZINC000050793098 520420205 /nfs/dbraw/zinc/42/02/05/520420205.db2.gz ZUQRWHMWBZNHHZ-UHFFFAOYSA-N 0 3 251.330 2.868 10 5 CFBEHN CCCCN(C)Cc1ccc(NC)c([N+](=O)[O-])c1 ZINC000050793095 520420606 /nfs/dbraw/zinc/42/06/06/520420606.db2.gz AIHOQEKZZYIGEL-UHFFFAOYSA-N 0 3 251.330 2.868 10 5 CFBEHN CCN(Cc1ccc(NC)c([N+](=O)[O-])c1)C[C@H]1CCCO1 ZINC000050815166 521322098 /nfs/dbraw/zinc/32/20/98/521322098.db2.gz NOHVTDPAGZJMPO-CYBMUJFWSA-N 0 3 293.367 2.637 10 5 CFBEHN CC[C@H](C)N(CCOC)Cc1ccc(NC)c([N+](=O)[O-])c1 ZINC000050817010 523939798 /nfs/dbraw/zinc/93/97/98/523939798.db2.gz CIXJHIKIDULKEO-LBPRGKRZSA-N 0 3 295.383 2.883 10 5 CFBEHN C[C@H]1CCC[C@H](C)N1Cc1cc([N+](=O)[O-])ccc1N ZINC000050792805 524190583 /nfs/dbraw/zinc/19/05/83/524190583.db2.gz PBIYRDDTTROJBU-QWRGUYRKSA-N 0 3 263.341 2.940 10 5 CFBEHN C[C@@H]1CCCN(Cc2ccc(N)c([N+](=O)[O-])c2)[C@@H]1C ZINC000050814427 524235572 /nfs/dbraw/zinc/23/55/72/524235572.db2.gz ZVBMXQNKWWEVMM-GHMZBOCLSA-N 0 3 263.341 2.797 10 5 CFBEHN CC[C@H](N[C@H]1CCO[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000090918669 347562448 /nfs/dbraw/zinc/56/24/48/347562448.db2.gz QGCUYCGAJHSMGH-BPNCWPANSA-N 0 3 264.325 2.813 10 5 CFBEHN CN1CC[C@H](Oc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000142545810 347934820 /nfs/dbraw/zinc/93/48/20/347934820.db2.gz QYONTZYOJSVPEE-JTQLQIEISA-N 0 3 290.241 2.697 10 5 CFBEHN CC([C@H](c1ccccc1Cl)n1cccn1)[N+](=O)[O-] ZINC000238856874 540554748 /nfs/dbraw/zinc/55/47/48/540554748.db2.gz XNAQKGVMVCLALO-BXKDBHETSA-N 0 3 265.700 2.791 10 5 CFBEHN CCC[C@@H](C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)N(C)C ZINC000136768629 378208858 /nfs/dbraw/zinc/20/88/58/378208858.db2.gz DHKOYKBSCWCBRQ-FZMZJTMJSA-N 0 3 293.367 2.502 10 5 CFBEHN CC[C@H](NCC[C@H]1CCOC1=O)c1cccc([N+](=O)[O-])c1 ZINC000181558654 380827664 /nfs/dbraw/zinc/82/76/64/380827664.db2.gz STZAZXGJIMPTMJ-FZMZJTMJSA-N 0 3 292.335 2.589 10 5 CFBEHN N[C@H](CC(F)F)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000575437938 382771115 /nfs/dbraw/zinc/77/11/15/382771115.db2.gz ZLBHIRCIAIXDJR-SSDOTTSWSA-N 0 3 250.632 2.903 10 5 CFBEHN C[C@@H]1CC(CNCc2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000282141345 385224882 /nfs/dbraw/zinc/22/48/82/385224882.db2.gz GYTNCQXNMOCXJZ-VXGBXAGGSA-N 0 3 278.352 2.888 10 5 CFBEHN Cc1cc([N+](=O)[O-])ccc1N1CCN2CCCC[C@@H]2C1 ZINC000301423302 393470649 /nfs/dbraw/zinc/47/06/49/393470649.db2.gz AOGWCZGEXRSRPO-CQSZACIVSA-N 0 3 275.352 2.578 10 5 CFBEHN CC(CO)(CO)NCc1ccc2c(ccc3ccccc32)c1 ZINC000005761714 170138026 /nfs/dbraw/zinc/13/80/26/170138026.db2.gz HQRSCZPFPWBZII-UHFFFAOYSA-N 0 3 295.382 2.826 10 5 CFBEHN CCCCCOc1cc([N+](=O)[O-])c(CN)cc1OC ZINC000037226357 173046583 /nfs/dbraw/zinc/04/65/83/173046583.db2.gz NBDQJZGDOFJQCY-UHFFFAOYSA-N 0 3 268.313 2.631 10 5 CFBEHN C[C@H](NCc1cc([N+](=O)[O-])c(F)cc1F)C1CC1 ZINC000037259711 173069759 /nfs/dbraw/zinc/06/97/59/173069759.db2.gz CUSUSSWDRQLKQR-ZETCQYMHSA-N 0 3 256.252 2.761 10 5 CFBEHN COc1ccccc1[C@@H](N)Cc1ccc([N+](=O)[O-])cc1 ZINC000038128908 174131947 /nfs/dbraw/zinc/13/19/47/174131947.db2.gz AZJSIWXHBSBGMR-AWEZNQCLSA-N 0 3 272.304 2.846 10 5 CFBEHN CN1CCCC[C@H]1CNCc1cc([N+](=O)[O-])ccc1Cl ZINC000044561434 175204811 /nfs/dbraw/zinc/20/48/11/175204811.db2.gz LIKFCCFFVOREQC-ZDUSSCGKSA-N 0 3 297.786 2.822 10 5 CFBEHN C[C@H](NC[C@H]1CCCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000044561531 175205066 /nfs/dbraw/zinc/20/50/66/175205066.db2.gz SUVMMSBHPAYUCI-SWLSCSKDSA-N 0 3 277.368 2.730 10 5 CFBEHN Cc1ccc(NC[C@@H]2CCCCN2C)c([N+](=O)[O-])c1 ZINC000044563163 175206341 /nfs/dbraw/zinc/20/63/41/175206341.db2.gz UTMDWJUMXZRBHE-LBPRGKRZSA-N 0 3 263.341 2.799 10 5 CFBEHN CCCN(C)Cc1cc([N+](=O)[O-])ccc1NCC ZINC000050813198 521502159 /nfs/dbraw/zinc/50/21/59/521502159.db2.gz AARUYWHNKGOSNO-UHFFFAOYSA-N 0 3 251.330 2.868 10 5 CFBEHN CC(C)(C)CCOc1ccc(CN)cc1[N+](=O)[O-] ZINC000049253852 518656120 /nfs/dbraw/zinc/65/61/20/518656120.db2.gz HLIVKVSBIHOPGS-UHFFFAOYSA-N 0 3 252.314 2.869 10 5 CFBEHN CC(C)NCc1cc([N+](=O)[O-])ccc1OC1CCOCC1 ZINC000069288965 519726850 /nfs/dbraw/zinc/72/68/50/519726850.db2.gz UZYYDKWIWJRLDU-UHFFFAOYSA-N 0 3 294.351 2.651 10 5 CFBEHN CC(C)CNCc1nc(-c2ccccc2[N+](=O)[O-])c[nH]1 ZINC000069236568 519748388 /nfs/dbraw/zinc/74/83/88/519748388.db2.gz XYFNTWBCDPPPPV-UHFFFAOYSA-N 0 3 274.324 2.731 10 5 CFBEHN CC[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2N)C1 ZINC000050813835 523253476 /nfs/dbraw/zinc/25/34/76/523253476.db2.gz ACPWGSSMTUYDDD-LLVKDONJSA-N 0 3 263.341 2.799 10 5 CFBEHN CN1CCCC[C@@H]1CNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050443960 523795852 /nfs/dbraw/zinc/79/58/52/523795852.db2.gz FKXYEHUJJIYJNK-CYBMUJFWSA-N 0 3 297.786 2.822 10 5 CFBEHN CC[C@H](C)COc1cc(CNC)ccc1[N+](=O)[O-] ZINC000050516704 523888954 /nfs/dbraw/zinc/88/89/54/523888954.db2.gz RFOYYUZDWVXUSQ-JTQLQIEISA-N 0 3 252.314 2.739 10 5 CFBEHN CC[C@H](N[C@@H]1CCO[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000090918668 347562463 /nfs/dbraw/zinc/56/24/63/347562463.db2.gz QGCUYCGAJHSMGH-LEWSCRJBSA-N 0 3 264.325 2.813 10 5 CFBEHN CN(C)Cc1ccnc(-c2cccc([N+](=O)[O-])c2)c1 ZINC000196677498 348148756 /nfs/dbraw/zinc/14/87/56/348148756.db2.gz GFLIFXWPXKSXFF-UHFFFAOYSA-N 0 3 257.293 2.718 10 5 CFBEHN CC[C@@H](NCCn1cc(C)cn1)c1cccc([N+](=O)[O-])c1 ZINC000123986611 187117496 /nfs/dbraw/zinc/11/74/96/187117496.db2.gz CGZSKDIATWWYQC-OAHLLOKOSA-N 0 3 288.351 2.841 10 5 CFBEHN CC(C)(C)NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000094420337 375359288 /nfs/dbraw/zinc/35/92/88/375359288.db2.gz YVOLREVXIHEALP-UHFFFAOYSA-N 0 3 285.731 2.575 10 5 CFBEHN Cc1ccc(CN[C@H]2CCCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000135610542 378150537 /nfs/dbraw/zinc/15/05/37/378150537.db2.gz BUQUAGDEBMTHTR-ZFWWWQNUSA-N 0 3 278.352 2.686 10 5 CFBEHN COc1cccc(N[C@H]2CN(C(C)C)C[C@H]2C)c1[N+](=O)[O-] ZINC000185552224 381663444 /nfs/dbraw/zinc/66/34/44/381663444.db2.gz WRAZUYASXZTYBO-YPMHNXCESA-N 0 3 293.367 2.744 10 5 CFBEHN CCN1CC[C@@H](Nc2cc(C)c([N+](=O)[O-])cc2F)C1 ZINC000389257695 382612702 /nfs/dbraw/zinc/61/27/02/382612702.db2.gz COGCLBXVSRGFEC-SNVBAGLBSA-N 0 3 267.304 2.548 10 5 CFBEHN CCCNCc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000035414745 172188409 /nfs/dbraw/zinc/18/84/09/172188409.db2.gz YNHWDCMXZRLAGI-UHFFFAOYSA-N 0 3 252.314 2.882 10 5 CFBEHN N[C@H](Cc1nc2ccccc2[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000035576260 172272844 /nfs/dbraw/zinc/27/28/44/172272844.db2.gz HPVMOHKTESMWFU-GFCCVEGCSA-N 0 3 282.303 2.714 10 5 CFBEHN CN1CCC[C@@H](Nc2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000040673508 174372367 /nfs/dbraw/zinc/37/23/67/174372367.db2.gz DGPDNCBLMIOPFI-GFCCVEGCSA-N 0 3 286.335 2.649 10 5 CFBEHN CCN1CCC[C@@H](Nc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000061700872 521625567 /nfs/dbraw/zinc/62/55/67/521625567.db2.gz YKYSBHXWLJGQKM-CYBMUJFWSA-N 0 3 263.341 2.799 10 5 CFBEHN CC[C@@H](C)COc1cc(CNC)ccc1[N+](=O)[O-] ZINC000050516703 522002377 /nfs/dbraw/zinc/00/23/77/522002377.db2.gz RFOYYUZDWVXUSQ-SNVBAGLBSA-N 0 3 252.314 2.739 10 5 CFBEHN CC(C)(C)CCOc1cc(CN)ccc1[N+](=O)[O-] ZINC000050516170 518655367 /nfs/dbraw/zinc/65/53/67/518655367.db2.gz FIVZBGOTDHMWJZ-UHFFFAOYSA-N 0 3 252.314 2.869 10 5 CFBEHN CC(C)[C@@H](CN(C)C)Nc1nc(Cl)ccc1[N+](=O)[O-] ZINC000049231146 519794057 /nfs/dbraw/zinc/79/40/57/519794057.db2.gz WYCIZHJESVVLLU-SECBINFHSA-N 0 3 286.763 2.641 10 5 CFBEHN CCNCc1ccc(OCCOC(C)C)c([N+](=O)[O-])c1 ZINC000049258969 519999804 /nfs/dbraw/zinc/99/98/04/519999804.db2.gz HOXLAEVGFKJJLP-UHFFFAOYSA-N 0 3 282.340 2.508 10 5 CFBEHN CCNc1ccc([N+](=O)[O-])cc1CN(CC)[C@@H](C)COC ZINC000050814982 520330440 /nfs/dbraw/zinc/33/04/40/520330440.db2.gz YCGBPGPIWUWCOL-LBPRGKRZSA-N 0 3 295.383 2.883 10 5 CFBEHN CCNc1ccc([N+](=O)[O-])cc1CN(CC)CC ZINC000050792248 520331016 /nfs/dbraw/zinc/33/10/16/520331016.db2.gz NYPURCCEPMHUKA-UHFFFAOYSA-N 0 3 251.330 2.868 10 5 CFBEHN CCN(Cc1cc([N+](=O)[O-])ccc1NC)C(C)C ZINC000050812834 521293330 /nfs/dbraw/zinc/29/33/30/521293330.db2.gz IWGALMTVLLYKPG-UHFFFAOYSA-N 0 3 251.330 2.867 10 5 CFBEHN CNc1ccc(CN(C)[C@@H]2CCSC2)cc1[N+](=O)[O-] ZINC000050813308 522607920 /nfs/dbraw/zinc/60/79/20/522607920.db2.gz XYAUPEZGIMTNRR-LLVKDONJSA-N 0 3 281.381 2.574 10 5 CFBEHN C[C@H](CN1CCCC1)Nc1cc(F)ccc1[N+](=O)[O-] ZINC000052120295 524319543 /nfs/dbraw/zinc/31/95/43/524319543.db2.gz OOFKQYZOJRPNQM-SNVBAGLBSA-N 0 3 267.304 2.630 10 5 CFBEHN CSC[C@@H](C)CNCc1cc([N+](=O)[O-])c(F)cc1F ZINC000069438155 525623744 /nfs/dbraw/zinc/62/37/44/525623744.db2.gz VWLCJAPEZJNMRN-QMMMGPOBSA-N 0 3 290.335 2.962 10 5 CFBEHN Cc1ccc([N+](=O)[O-])cc1-c1ncc2c(n1)CCC[C@@H]2N ZINC000050441309 526067298 /nfs/dbraw/zinc/06/72/98/526067298.db2.gz DTSOHWIKDLYYFL-ZDUSSCGKSA-N 0 3 284.319 2.696 10 5 CFBEHN O=[N+]([O-])c1ccc(CNC2CCC2)c(Br)c1 ZINC000052210094 527350984 /nfs/dbraw/zinc/35/09/84/527350984.db2.gz JURPDNQGIYGCPJ-UHFFFAOYSA-N 0 3 285.141 2.999 10 5 CFBEHN COC1CC(NCc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000230690023 623294331 /nfs/dbraw/zinc/29/43/31/623294331.db2.gz WBRAVYXCTOCYBD-UHFFFAOYSA-N 0 3 270.716 2.515 10 5 CFBEHN CO[C@H](C)[C@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000145431605 347943897 /nfs/dbraw/zinc/94/38/97/347943897.db2.gz XSSJNERTFYGTSL-BXUZGUMPSA-N 0 3 264.325 2.594 10 5 CFBEHN C[C@H](NC[C@H]1CCC[C@@H](O)C1)c1ccccc1[N+](=O)[O-] ZINC000219233583 348168225 /nfs/dbraw/zinc/16/82/25/348168225.db2.gz YQBTVVABSAMXAC-RWMBFGLXSA-N 0 3 278.352 2.797 10 5 CFBEHN CN(C)CCc1c2ccccc2c2ccccc2[n+]1[O-] ZINC000584640060 348699924 /nfs/dbraw/zinc/69/99/24/348699924.db2.gz YGZQILFTEZHQAN-UHFFFAOYSA-N 0 3 266.344 2.731 10 5 CFBEHN Cc1ccc([C@H](C)NCCn2cc([N+](=O)[O-])cn2)cc1C ZINC000090538953 180000287 /nfs/dbraw/zinc/00/02/87/180000287.db2.gz BHKUTOYTVCBFDP-ZDUSSCGKSA-N 0 3 288.351 2.759 10 5 CFBEHN C[C@H](N[C@H]1CCCCC[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000135667218 378154842 /nfs/dbraw/zinc/15/48/42/378154842.db2.gz QXYONIYJJBCSEY-CQDKDKBSSA-N 0 3 278.352 2.939 10 5 CFBEHN O=[N+]([O-])c1ccc(NC[C@H]2NCCc3ccccc32)cc1 ZINC000261755289 383553883 /nfs/dbraw/zinc/55/38/83/383553883.db2.gz UFWLPPDUNZQCCK-MRXNPFEDSA-N 0 3 283.331 2.894 10 5 CFBEHN CC(CO)(CO)NCc1cc2ccccc2c2ccccc12 ZINC000005761709 170138099 /nfs/dbraw/zinc/13/80/99/170138099.db2.gz PBIHNSRRIKSORF-UHFFFAOYSA-N 0 3 295.382 2.826 10 5 CFBEHN CNCc1cc([N+](=O)[O-])ccc1OCCC(C)C ZINC000035414612 172188430 /nfs/dbraw/zinc/18/84/30/172188430.db2.gz MDWFUKOSYBPRJI-UHFFFAOYSA-N 0 3 252.314 2.739 10 5 CFBEHN CC(C)(C)OC(=O)C(C)(C)[C@@H](N)c1ccc([N+](=O)[O-])cc1 ZINC000536958041 330383628 /nfs/dbraw/zinc/38/36/28/330383628.db2.gz HERDMCXUNNBOTE-LBPRGKRZSA-N 0 3 294.351 2.963 10 5 CFBEHN CC(C)(C)OC(=O)C(C)(C)[C@@H](N)c1ccccc1[N+](=O)[O-] ZINC000536960347 330384081 /nfs/dbraw/zinc/38/40/81/330384081.db2.gz ZMBWOQPIOKKSGR-LBPRGKRZSA-N 0 3 294.351 2.963 10 5 CFBEHN CC(C)CCN(C)Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050817648 519651119 /nfs/dbraw/zinc/65/11/19/519651119.db2.gz DLKFWSGQSKFIAS-UHFFFAOYSA-N 0 3 251.330 2.655 10 5 CFBEHN CC(C)(C)NCc1nc(-c2ccccc2[N+](=O)[O-])c[nH]1 ZINC000069236467 518767551 /nfs/dbraw/zinc/76/75/51/518767551.db2.gz VGSBCPFWDWYULD-UHFFFAOYSA-N 0 3 274.324 2.873 10 5 CFBEHN CC(C)(C)NCc1nccn1Cc1cccc([N+](=O)[O-])c1 ZINC000051015472 518767680 /nfs/dbraw/zinc/76/76/80/518767680.db2.gz UUTHKWUKBUNGBP-UHFFFAOYSA-N 0 3 288.351 2.728 10 5 CFBEHN CCCN1CCC(Nc2nc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000049561671 519847805 /nfs/dbraw/zinc/84/78/05/519847805.db2.gz DNQOKLWINIBNLC-UHFFFAOYSA-N 0 3 298.774 2.930 10 5 CFBEHN CNCc1ccc([N+](=O)[O-])c(OCc2cccs2)c1 ZINC000050516785 522125243 /nfs/dbraw/zinc/12/52/43/522125243.db2.gz ZHSHQJZIWDKHAS-UHFFFAOYSA-N 0 3 278.333 2.955 10 5 CFBEHN CC[C@H](NC1CC(OC)C1)c1cccc([N+](=O)[O-])c1 ZINC000230676232 522559811 /nfs/dbraw/zinc/55/98/11/522559811.db2.gz VXUONEFVYGMWLS-UBHUBRDASA-N 0 3 264.325 2.813 10 5 CFBEHN CNc1ccc(CN(C)[C@H]2CCSC2)cc1[N+](=O)[O-] ZINC000050813309 522605932 /nfs/dbraw/zinc/60/59/32/522605932.db2.gz XYAUPEZGIMTNRR-NSHDSACASA-N 0 3 281.381 2.574 10 5 CFBEHN CC[C@H]1CCCCN1Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050812885 523030001 /nfs/dbraw/zinc/03/00/01/523030001.db2.gz RGNHEBRWFLRXCO-LBPRGKRZSA-N 0 3 263.341 2.942 10 5 CFBEHN CC[C@H](C)N(C)Cc1cc([N+](=O)[O-])ccc1NC ZINC000050813062 523922879 /nfs/dbraw/zinc/92/28/79/523922879.db2.gz HQNWKTBYYMWYKU-JTQLQIEISA-N 0 3 251.330 2.867 10 5 CFBEHN Cc1cccc(COc2cc(CN)ccc2[N+](=O)[O-])c1 ZINC000050516614 524445685 /nfs/dbraw/zinc/44/56/85/524445685.db2.gz RBKBTHSRENKDTC-UHFFFAOYSA-N 0 3 272.304 2.941 10 5 CFBEHN COc1ccc(N[C@@H](CC(C)C)CN(C)C)c([N+](=O)[O-])c1 ZINC000049558231 524702227 /nfs/dbraw/zinc/70/22/27/524702227.db2.gz AHNCCROBZVJGDQ-LBPRGKRZSA-N 0 3 295.383 2.992 10 5 CFBEHN C[C@H](Cc1ccsc1)NCc1ccc([N+](=O)[O-])o1 ZINC000049156498 524761322 /nfs/dbraw/zinc/76/13/22/524761322.db2.gz PHCRANPYEYNRQE-SECBINFHSA-N 0 3 266.322 2.970 10 5 CFBEHN Cc1ccc(N[C@@H](C)CN2CCCC2)c([N+](=O)[O-])c1 ZINC000049184174 525309824 /nfs/dbraw/zinc/30/98/24/525309824.db2.gz CTIZLAAGWDLKRO-LBPRGKRZSA-N 0 3 263.341 2.799 10 5 CFBEHN NCc1cccc(NC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000063191046 527259249 /nfs/dbraw/zinc/25/92/49/527259249.db2.gz DAFHFMCEVMILKT-UHFFFAOYSA-N 0 3 286.291 2.698 10 5 CFBEHN O=[N+]([O-])c1cc(Cl)ccc1CNCCc1ccccn1 ZINC000050443149 527332837 /nfs/dbraw/zinc/33/28/37/527332837.db2.gz LXTLLLRTCJJFEX-UHFFFAOYSA-N 0 3 291.738 2.976 10 5 CFBEHN CO[C@@H](C)[C@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000145431412 347943868 /nfs/dbraw/zinc/94/38/68/347943868.db2.gz XSSJNERTFYGTSL-SMDDNHRTSA-N 0 3 264.325 2.594 10 5 CFBEHN C[C@H](N[C@@H]1CCC[C@@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000217628010 348164983 /nfs/dbraw/zinc/16/49/83/348164983.db2.gz AYEBLQSGUISVRD-ZKYQVNSYSA-N 0 3 264.325 2.549 10 5 CFBEHN Cc1ccc([C@H](C)N[C@H]2CCC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000217622504 348165254 /nfs/dbraw/zinc/16/52/54/348165254.db2.gz ZBXRSVXVNMWKPC-FPMFFAJLSA-N 0 3 278.352 2.857 10 5 CFBEHN C[C@@H](NCc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000075782932 374503409 /nfs/dbraw/zinc/50/34/09/374503409.db2.gz VJRKHHORMNWHTR-NOZJJQNGSA-N 0 3 284.743 2.905 10 5 CFBEHN O=[N+]([O-])c1ccc2nc(CN3CCCC3)ccc2c1 ZINC000090367516 375010279 /nfs/dbraw/zinc/01/02/79/375010279.db2.gz DDIHBRSLYYKIDQ-UHFFFAOYSA-N 0 3 257.293 2.739 10 5 CFBEHN N[C@@H](CC(F)F)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000575437689 382771144 /nfs/dbraw/zinc/77/11/44/382771144.db2.gz OSYOSPYXNXKBPM-ZETCQYMHSA-N 0 3 250.632 2.903 10 5 CFBEHN CNCc1ccc(OCCC(C)C)c([N+](=O)[O-])c1 ZINC000034660147 171851591 /nfs/dbraw/zinc/85/15/91/171851591.db2.gz WYYFSRPJJAEWSK-UHFFFAOYSA-N 0 3 252.314 2.739 10 5 CFBEHN CCCOc1ccc([N+](=O)[O-])cc1CNC1CC1 ZINC000035414801 172189161 /nfs/dbraw/zinc/18/91/61/172189161.db2.gz LANMRAIHUIBOFD-UHFFFAOYSA-N 0 3 250.298 2.636 10 5 CFBEHN CN1CCC[C@H]1CCOc1nc(Cl)ccc1[N+](=O)[O-] ZINC000040240551 174213639 /nfs/dbraw/zinc/21/36/39/174213639.db2.gz OBOZZSGUEOMRJQ-VIFPVBQESA-N 0 3 285.731 2.506 10 5 CFBEHN NCc1cc([N+](=O)[O-])ccc1OCCOc1ccccc1 ZINC000043458022 175050363 /nfs/dbraw/zinc/05/03/63/175050363.db2.gz IIAJDKORDHYXME-UHFFFAOYSA-N 0 3 288.303 2.511 10 5 CFBEHN NCc1ccccc1Oc1ccc([N+](=O)[O-])c(F)c1 ZINC000043473337 175053724 /nfs/dbraw/zinc/05/37/24/175053724.db2.gz LHIJEQXTHKZYPQ-UHFFFAOYSA-N 0 3 262.240 2.985 10 5 CFBEHN CC(C)[C@@H](CN(C)C)Nc1ccccc1[N+](=O)[O-] ZINC000044386858 175170256 /nfs/dbraw/zinc/17/02/56/175170256.db2.gz XTKWXEXQRCUKGN-GFCCVEGCSA-N 0 3 251.330 2.593 10 5 CFBEHN CC(C)[C@H](CN(C)C)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000049197628 519814518 /nfs/dbraw/zinc/81/45/18/519814518.db2.gz QPUUENQIFOCTDG-AWEZNQCLSA-N 0 3 299.802 2.924 10 5 CFBEHN CCCNc1ccc(CN(CCO)C(C)C)cc1[N+](=O)[O-] ZINC000050817933 520155409 /nfs/dbraw/zinc/15/54/09/520155409.db2.gz PUWHAEFFEYGQIV-UHFFFAOYSA-N 0 3 295.383 2.619 10 5 CFBEHN CCCCN(Cc1ccc(N)c([N+](=O)[O-])c1)C1CC1 ZINC000050815432 520544308 /nfs/dbraw/zinc/54/43/08/520544308.db2.gz YVMKRVZLPMVILD-UHFFFAOYSA-N 0 3 263.341 2.942 10 5 CFBEHN CN[C@H]1CCCc2nc(-c3ccccc3[N+](=O)[O-])ncc21 ZINC000050094321 522498837 /nfs/dbraw/zinc/49/88/37/522498837.db2.gz NCBGSSYQTVKRAD-LBPRGKRZSA-N 0 3 284.319 2.649 10 5 CFBEHN CC[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2N)C1 ZINC000050813836 523090587 /nfs/dbraw/zinc/09/05/87/523090587.db2.gz ACPWGSSMTUYDDD-NSHDSACASA-N 0 3 263.341 2.799 10 5 CFBEHN COCCCOc1cc(CNC(C)C)ccc1[N+](=O)[O-] ZINC000050517204 523409070 /nfs/dbraw/zinc/40/90/70/523409070.db2.gz UODFZAGRZIUWBV-UHFFFAOYSA-N 0 3 282.340 2.508 10 5 CFBEHN C[C@H]1CCC[C@H](C)N1Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050792802 524189767 /nfs/dbraw/zinc/18/97/67/524189767.db2.gz NQBKFFQZDMTIHW-QWRGUYRKSA-N 0 3 263.341 2.940 10 5 CFBEHN C[C@@H](CN1CCCC1)NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050443723 524593079 /nfs/dbraw/zinc/59/30/79/524593079.db2.gz PXBMVKFORSUWKY-NSHDSACASA-N 0 3 297.786 2.822 10 5 CFBEHN Cc1cc(N[C@H]2CN3CCC2CC3)c([N+](=O)[O-])cc1C ZINC000050439419 525304736 /nfs/dbraw/zinc/30/47/36/525304736.db2.gz SFZJXVMQWRVRPD-AWEZNQCLSA-N 0 3 275.352 2.718 10 5 CFBEHN COc1ccc([N+](=O)[O-])cc1CNCCc1ccsc1 ZINC000049181381 525460890 /nfs/dbraw/zinc/46/08/90/525460890.db2.gz CSYFXNMHBMQVKX-UHFFFAOYSA-N 0 3 292.360 2.997 10 5 CFBEHN Cc1cnn(CCNCc2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000105908674 186087702 /nfs/dbraw/zinc/08/77/02/186087702.db2.gz UQWZMIJEKHKLLU-UHFFFAOYSA-N 0 3 294.742 2.543 10 5 CFBEHN CCN1CCC[C@H]1CN(C)c1ccc(F)cc1[N+](=O)[O-] ZINC000301463466 201018539 /nfs/dbraw/zinc/01/85/39/201018539.db2.gz FUGZUSHGZCVLRM-LBPRGKRZSA-N 0 3 281.331 2.654 10 5 CFBEHN N[C@@H]1CN(Cc2ccccc2)c2ccc([N+](=O)[O-])cc21 ZINC000019795921 372189872 /nfs/dbraw/zinc/18/98/72/372189872.db2.gz WNNHYNPWBDXGIV-CQSZACIVSA-N 0 3 269.304 2.615 10 5 CFBEHN CC([C@H](c1ccccc1Cl)n1cccn1)[N+](=O)[O-] ZINC000238856876 296220925 /nfs/dbraw/zinc/22/09/25/296220925.db2.gz XNAQKGVMVCLALO-JOYOIKCWSA-N 0 3 265.700 2.791 10 5 CFBEHN CCN1CCC[C@@H]1CN(C)c1cccc(F)c1[N+](=O)[O-] ZINC000092665172 375138034 /nfs/dbraw/zinc/13/80/34/375138034.db2.gz QXCOXOFDQKXBGL-LLVKDONJSA-N 0 3 281.331 2.654 10 5 CFBEHN O=[N+]([O-])c1ccc(N2CCN3CCC[C@H]3C2)c(Cl)c1 ZINC000248748545 285126282 /nfs/dbraw/zinc/12/62/82/285126282.db2.gz FTPAXXMEUCNTSX-NSHDSACASA-N 0 3 281.743 2.533 10 5 CFBEHN CCN1CCC[C@H](Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000040503203 174299505 /nfs/dbraw/zinc/29/95/05/174299505.db2.gz CNDZADDITVLHJH-NSHDSACASA-N 0 3 267.304 2.630 10 5 CFBEHN CCN1CCC[C@@H](Nc2cc(C)ccc2[N+](=O)[O-])C1 ZINC000094659468 265248798 /nfs/dbraw/zinc/24/87/98/265248798.db2.gz GSVCREJZHXLHON-GFCCVEGCSA-N 0 3 263.341 2.799 10 5 CFBEHN CC(C)[C@@H](CN(C)C)NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050443742 519793847 /nfs/dbraw/zinc/79/38/47/519793847.db2.gz IIJSZDKUDHVYGY-CYBMUJFWSA-N 0 3 299.802 2.924 10 5 CFBEHN CC(C)[C@H](CN(C)C)Nc1nc(Cl)ccc1[N+](=O)[O-] ZINC000049231149 519814939 /nfs/dbraw/zinc/81/49/39/519814939.db2.gz WYCIZHJESVVLLU-VIFPVBQESA-N 0 3 286.763 2.641 10 5 CFBEHN CCNCc1ccc([N+](=O)[O-])c(OC/C=C/Cl)c1 ZINC000050516975 520001875 /nfs/dbraw/zinc/00/18/75/520001875.db2.gz CMBJWYDKTAZGDK-ZZXKWVIFSA-N 0 3 270.716 2.836 10 5 CFBEHN CC(C)[C@@H](CN(C)C)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000049218748 519794086 /nfs/dbraw/zinc/79/40/86/519794086.db2.gz HTBSMKYAWABNGC-GFCCVEGCSA-N 0 3 296.327 2.501 10 5 CFBEHN CCNCc1ccc([N+](=O)[O-])c(OCCOC(C)C)c1 ZINC000050516919 520001508 /nfs/dbraw/zinc/00/15/08/520001508.db2.gz FJZBTOAMIOMPMV-UHFFFAOYSA-N 0 3 282.340 2.508 10 5 CFBEHN CCNCc1ccc([N+](=O)[O-])c(OCC(C)C)c1 ZINC000050517007 520001703 /nfs/dbraw/zinc/00/17/03/520001703.db2.gz FDXDQNCARXACQI-UHFFFAOYSA-N 0 3 252.314 2.739 10 5 CFBEHN CCCCOCCOc1ccc(CNCC)cc1[N+](=O)[O-] ZINC000049261446 520792287 /nfs/dbraw/zinc/79/22/87/520792287.db2.gz BSAYZJIFEZALGW-UHFFFAOYSA-N 0 3 296.367 2.900 10 5 CFBEHN COc1cc(CN)c([N+](=O)[O-])cc1OCCC(C)(C)C ZINC000049254142 522361705 /nfs/dbraw/zinc/36/17/05/522361705.db2.gz VUQBRCNGOLLCGM-UHFFFAOYSA-N 0 3 282.340 2.877 10 5 CFBEHN CNc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](C)C1 ZINC000050792481 522645126 /nfs/dbraw/zinc/64/51/26/522645126.db2.gz OHZQCSWGHZKWAE-LLVKDONJSA-N 0 3 263.341 2.868 10 5 CFBEHN COc1ccccc1COc1cc(CN)ccc1[N+](=O)[O-] ZINC000050516110 524494622 /nfs/dbraw/zinc/49/46/22/524494622.db2.gz CXOQWKJHXMKKTI-UHFFFAOYSA-N 0 3 288.303 2.641 10 5 CFBEHN C[C@@H](CN1CCCCC1)NCc1cc(F)ccc1[N+](=O)[O-] ZINC000049501349 524608319 /nfs/dbraw/zinc/60/83/19/524608319.db2.gz SGQKZJVXZPOHDL-LBPRGKRZSA-N 0 3 295.358 2.698 10 5 CFBEHN CN1CC[C@@H](Oc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000142546027 347934867 /nfs/dbraw/zinc/93/48/67/347934867.db2.gz QYONTZYOJSVPEE-SNVBAGLBSA-N 0 3 290.241 2.697 10 5 CFBEHN CC(C)(N)c1cc(Br)ccc1[N+](=O)[O-] ZINC000306323179 348386665 /nfs/dbraw/zinc/38/66/65/348386665.db2.gz ZHRUQNLVCHNTCA-UHFFFAOYSA-N 0 3 259.103 2.551 10 5 CFBEHN CC[N+](C)(C(=O)[O-])c1cccc([C@H](C)N(C)C)c1 ZINC000044830278 373010571 /nfs/dbraw/zinc/01/05/71/373010571.db2.gz XPQWZGUNGYAQED-CHPOKUKFSA-O 0 3 251.350 2.944 10 5 CFBEHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN2CCCC[C@@H]2C1 ZINC000172802842 379648386 /nfs/dbraw/zinc/64/83/86/379648386.db2.gz KWFQXARKAWNMFX-XJKSGUPXSA-N 0 3 289.379 2.826 10 5 CFBEHN C[C@@H]1CC(CNCc2csc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000282172195 385235844 /nfs/dbraw/zinc/23/58/44/385235844.db2.gz JJCVCZJCWGRIOX-NXEZZACHSA-N 0 3 284.381 2.950 10 5 CFBEHN O=[N+]([O-])[C@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000238850482 397627456 /nfs/dbraw/zinc/62/74/56/397627456.db2.gz BVUNFAAOQWGVQX-IRXDYDNUSA-N 0 3 282.343 2.931 10 5 CFBEHN N[C@@H]1CN(Cc2ccc(F)cc2)c2ccc([N+](=O)[O-])cc21 ZINC000019795948 170869448 /nfs/dbraw/zinc/86/94/48/170869448.db2.gz LAZYAURLTNWSII-CQSZACIVSA-N 0 3 287.294 2.754 10 5 CFBEHN C[C@@H](N[C@H](C)[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000020208889 171072927 /nfs/dbraw/zinc/07/29/27/171072927.db2.gz VGHCYRMVDNDIJV-GYSYKLTISA-N 0 3 264.325 2.813 10 5 CFBEHN C=COCCCN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000020526267 171239312 /nfs/dbraw/zinc/23/93/12/171239312.db2.gz UJCOGRLOLMLWIX-NSHDSACASA-N 0 3 250.298 2.796 10 5 CFBEHN CCCCCOc1ccc([N+](=O)[O-])cc1CNC ZINC000035414608 172188483 /nfs/dbraw/zinc/18/84/83/172188483.db2.gz AYFNOBNCXKEOQM-UHFFFAOYSA-N 0 3 252.314 2.883 10 5 CFBEHN NCc1ccccc1Oc1cc(F)ccc1[N+](=O)[O-] ZINC000038081263 174090464 /nfs/dbraw/zinc/09/04/64/174090464.db2.gz LSWKNTIMCPGTNS-UHFFFAOYSA-N 0 3 262.240 2.985 10 5 CFBEHN CCN1CCC[C@H](N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000040502613 174298818 /nfs/dbraw/zinc/29/88/18/174298818.db2.gz RVAONPMLZDTITK-JSGCOSHPSA-N 0 3 277.368 2.730 10 5 CFBEHN CCN1CCC[C@@H](Nc2cccc(F)c2[N+](=O)[O-])C1 ZINC000040503200 174299749 /nfs/dbraw/zinc/29/97/49/174299749.db2.gz YFXUAVVNUMHANV-SNVBAGLBSA-N 0 3 267.304 2.630 10 5 CFBEHN C[C@@H](NC[C@@H]1CCCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000044561530 175204587 /nfs/dbraw/zinc/20/45/87/175204587.db2.gz SUVMMSBHPAYUCI-DOMZBBRYSA-N 0 3 277.368 2.730 10 5 CFBEHN CC(C)NCc1ccc([N+](=O)[O-])c(OCCOC(C)C)c1 ZINC000050517139 519727213 /nfs/dbraw/zinc/72/72/13/519727213.db2.gz VHKJFSWDPPBUJY-UHFFFAOYSA-N 0 3 296.367 2.897 10 5 CFBEHN CN(Cc1ccc(N)c([N+](=O)[O-])c1)CC(C)(C)C ZINC000050817019 523260882 /nfs/dbraw/zinc/26/08/82/523260882.db2.gz PFDKSXYHUDQKMB-UHFFFAOYSA-N 0 3 251.330 2.655 10 5 CFBEHN CC[C@H](C)COc1ccc(CNC)cc1[N+](=O)[O-] ZINC000050423615 523889180 /nfs/dbraw/zinc/88/91/80/523889180.db2.gz YULGKXGVRVMFKC-JTQLQIEISA-N 0 3 252.314 2.739 10 5 CFBEHN C[C@@H](CN1CCCCC1)Nc1nc(Cl)ccc1[N+](=O)[O-] ZINC000049503119 524610215 /nfs/dbraw/zinc/61/02/15/524610215.db2.gz HEPUKPFKHBYWNE-JTQLQIEISA-N 0 3 298.774 2.930 10 5 CFBEHN C[C@@H]1C[C@H]1NCc1ccc(Br)c([N+](=O)[O-])c1 ZINC000052274037 525499615 /nfs/dbraw/zinc/49/96/15/525499615.db2.gz HCUGAXLBCJLPMJ-GMSGAONNSA-N 0 3 285.141 2.855 10 5 CFBEHN O=[N+]([O-])c1cc(Cl)ccc1CNCC[C@@H]1CCCO1 ZINC000050443615 527332270 /nfs/dbraw/zinc/33/22/70/527332270.db2.gz UFJORGRONUSJBS-LBPRGKRZSA-N 0 3 284.743 2.907 10 5 CFBEHN C[C@@H](Cn1ccnc1)NCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000098025220 185675954 /nfs/dbraw/zinc/67/59/54/185675954.db2.gz DFCKTKOLDKKOKR-JTQLQIEISA-N 0 3 294.742 2.623 10 5 CFBEHN O=[N+]([O-])c1ccc(CNC[C@H]2CCCC[C@H]2O)c(Cl)c1 ZINC000085988257 179212998 /nfs/dbraw/zinc/21/29/98/179212998.db2.gz GXDPQGNRJFUTJA-BXUZGUMPSA-N 0 3 298.770 2.889 10 5 CFBEHN CN1CCC(N2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000113851742 347769377 /nfs/dbraw/zinc/76/93/77/347769377.db2.gz ARWVOQRXKGVOBA-UHFFFAOYSA-N 0 3 289.379 2.787 10 5 CFBEHN C[C@H](NC[C@@H]1CCC[C@H](O)C1)c1ccccc1[N+](=O)[O-] ZINC000300405816 348367816 /nfs/dbraw/zinc/36/78/16/348367816.db2.gz YQBTVVABSAMXAC-XQQFMLRXSA-N 0 3 278.352 2.797 10 5 CFBEHN C[C@@H](NCC1(O)CCSCC1)c1cccc([N+](=O)[O-])c1 ZINC000304453146 348380049 /nfs/dbraw/zinc/38/00/49/348380049.db2.gz POTYSGPPRFQYGT-LLVKDONJSA-N 0 3 296.392 2.504 10 5 CFBEHN C[C@H](N[C@@H]1CCCCC[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000135667148 378154453 /nfs/dbraw/zinc/15/44/53/378154453.db2.gz QXYONIYJJBCSEY-GLQYFDAESA-N 0 3 278.352 2.939 10 5 CFBEHN C[C@H]1CCCN(CCNc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000302825099 382329083 /nfs/dbraw/zinc/32/90/83/382329083.db2.gz YEJKFXATKOAOQS-NSHDSACASA-N 0 3 281.331 2.878 10 5 CFBEHN CCC[C@@H]1C[C@H]1NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000231673481 382866357 /nfs/dbraw/zinc/86/63/57/382866357.db2.gz DRGCQEMHIGDHGS-VXGBXAGGSA-N 0 3 264.325 2.882 10 5 CFBEHN Cc1c([C@H](C)N[C@H]2CCCC[C@H]2O)cccc1[N+](=O)[O-] ZINC000248199451 383219081 /nfs/dbraw/zinc/21/90/81/383219081.db2.gz YDTQRCDTWANFJR-CORIIIEPSA-N 0 3 278.352 2.857 10 5 CFBEHN C[C@@H](NCc1cc([N+](=O)[O-])c(F)cc1F)C1CC1 ZINC000037259713 173070263 /nfs/dbraw/zinc/07/02/63/173070263.db2.gz CUSUSSWDRQLKQR-SSDOTTSWSA-N 0 3 256.252 2.761 10 5 CFBEHN C[C@@H](Cc1cccs1)NCc1ccc([N+](=O)[O-])o1 ZINC000037284829 173092054 /nfs/dbraw/zinc/09/20/54/173092054.db2.gz CHIDUWZPONAUIY-VIFPVBQESA-N 0 3 266.322 2.970 10 5 CFBEHN C[C@@H](CNc1ccc2scnc2c1[N+](=O)[O-])N(C)C ZINC000038089162 174102618 /nfs/dbraw/zinc/10/26/18/174102618.db2.gz UJROCPXDAYOMOR-QMMMGPOBSA-N 0 3 280.353 2.567 10 5 CFBEHN O=[N+]([O-])c1ccc(Cl)c(CNCC[C@@H]2CCCO2)c1 ZINC000038096089 174110419 /nfs/dbraw/zinc/11/04/19/174110419.db2.gz PASOHIXOLGPEAZ-LBPRGKRZSA-N 0 3 284.743 2.907 10 5 CFBEHN COc1ccccc1COc1ccc(CN)cc1[N+](=O)[O-] ZINC000043457090 175050128 /nfs/dbraw/zinc/05/01/28/175050128.db2.gz LDMGBMQBBHAGPP-UHFFFAOYSA-N 0 3 288.303 2.641 10 5 CFBEHN COc1ccccc1COc1ccc([N+](=O)[O-])cc1CN ZINC000043457172 175050156 /nfs/dbraw/zinc/05/01/56/175050156.db2.gz GGGLIMUHOXHANQ-UHFFFAOYSA-N 0 3 288.303 2.641 10 5 CFBEHN Cc1cc(NC[C@@H]2CCCCN2C)ccc1[N+](=O)[O-] ZINC000044563169 175206819 /nfs/dbraw/zinc/20/68/19/175206819.db2.gz DUXOMPKNOURNIC-ZDUSSCGKSA-N 0 3 263.341 2.799 10 5 CFBEHN CC(C)(C)NCc1nccn1Cc1ccccc1[N+](=O)[O-] ZINC000051015517 518768355 /nfs/dbraw/zinc/76/83/55/518768355.db2.gz XGWRQEOGRWYCIR-UHFFFAOYSA-N 0 3 288.351 2.728 10 5 CFBEHN CCNc1ccc(CN(CC)CC)cc1[N+](=O)[O-] ZINC000050792245 520299498 /nfs/dbraw/zinc/29/94/98/520299498.db2.gz YAOFDFQXXUHAEB-UHFFFAOYSA-N 0 3 251.330 2.868 10 5 CFBEHN CCN(Cc1cc([N+](=O)[O-])ccc1N)CC(C)C ZINC000050812578 521293586 /nfs/dbraw/zinc/29/35/86/521293586.db2.gz FMMYXVPUQCJNSX-UHFFFAOYSA-N 0 3 251.330 2.655 10 5 CFBEHN CC[C@@H](C)N(CCOC)Cc1ccc(NC)c([N+](=O)[O-])c1 ZINC000050817009 522091652 /nfs/dbraw/zinc/09/16/52/522091652.db2.gz CIXJHIKIDULKEO-GFCCVEGCSA-N 0 3 295.383 2.883 10 5 CFBEHN CNCc1ccc([N+](=O)[O-])c(OC2CCCC2)c1 ZINC000050516879 522124366 /nfs/dbraw/zinc/12/43/66/522124366.db2.gz WNUAPUVVHXTTKI-UHFFFAOYSA-N 0 3 250.298 2.636 10 5 CFBEHN CNc1ccc(CN2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000050792150 522610342 /nfs/dbraw/zinc/61/03/42/522610342.db2.gz CJIPIQQFEVKQJB-UHFFFAOYSA-N 0 3 263.341 2.868 10 5 CFBEHN CNc1ccc([N+](=O)[O-])cc1CN(C)[C@@H](C)C1CC1 ZINC000050813798 522644619 /nfs/dbraw/zinc/64/46/19/522644619.db2.gz VPHTVTHCJQLRDR-JTQLQIEISA-N 0 3 263.341 2.867 10 5 CFBEHN C[C@H](CN1CCCC1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000049184145 524319820 /nfs/dbraw/zinc/31/98/20/524319820.db2.gz LEVUCMNPBNIGDH-SNVBAGLBSA-N 0 3 267.304 2.630 10 5 CFBEHN C[C@H]1C[C@@H]1NCc1ccc(Br)c([N+](=O)[O-])c1 ZINC000052274035 524853035 /nfs/dbraw/zinc/85/30/35/524853035.db2.gz HCUGAXLBCJLPMJ-XVKPBYJWSA-N 0 3 285.141 2.855 10 5 CFBEHN Cc1ccc(N[C@H]2CCN(C3CC3)C2)cc1[N+](=O)[O-] ZINC000061701033 525320630 /nfs/dbraw/zinc/32/06/30/525320630.db2.gz RPOSOAMZQVNUKA-LBPRGKRZSA-N 0 3 261.325 2.552 10 5 CFBEHN Cc1ccc([N+](=O)[O-])cc1-c1ncc2c(n1)CCC[C@H]2N ZINC000050441310 526068058 /nfs/dbraw/zinc/06/80/58/526068058.db2.gz DTSOHWIKDLYYFL-CYBMUJFWSA-N 0 3 284.319 2.696 10 5 CFBEHN C[C@H](N[C@@H]1CCCC[C@@H]1O)c1ccccc1[N+](=O)[O-] ZINC000051995391 299368030 /nfs/dbraw/zinc/36/80/30/299368030.db2.gz QMQHVVCERYEGDL-SUHUHFCYSA-N 0 3 264.325 2.549 10 5 CFBEHN Cc1c(CN2CCN3CCCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000172800842 379649998 /nfs/dbraw/zinc/64/99/98/379649998.db2.gz FHIIIBLDEXOHHG-OAHLLOKOSA-N 0 3 289.379 2.573 10 5 CFBEHN CCN1CCC[C@@H](N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000249614245 383353505 /nfs/dbraw/zinc/35/35/05/383353505.db2.gz ODKCITUNWCCQMA-TZMCWYRMSA-N 0 3 277.368 2.730 10 5 CFBEHN C[C@H]1CC(CNCc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000282141340 385224628 /nfs/dbraw/zinc/22/46/28/385224628.db2.gz GYTNCQXNMOCXJZ-RYUDHWBXSA-N 0 3 278.352 2.888 10 5 CFBEHN O=[N+]([O-])c1ccc(Cl)c(CN[C@H]2CCC[C@H](O)C2)c1 ZINC000037165459 173000154 /nfs/dbraw/zinc/00/01/54/173000154.db2.gz RWQULQGGMJDZQJ-JQWIXIFHSA-N 0 3 284.743 2.641 10 5 CFBEHN CCN1CCC[C@@H](Nc2ccc(C)cc2[N+](=O)[O-])C1 ZINC000040503282 174300163 /nfs/dbraw/zinc/30/01/63/174300163.db2.gz XVSSCIKFGDHDCP-GFCCVEGCSA-N 0 3 263.341 2.799 10 5 CFBEHN CCN1CCC[C@H](Nc2ccc(C)cc2[N+](=O)[O-])C1 ZINC000040503281 174300176 /nfs/dbraw/zinc/30/01/76/174300176.db2.gz XVSSCIKFGDHDCP-LBPRGKRZSA-N 0 3 263.341 2.799 10 5 CFBEHN C[C@@H](NC[C@H]1CCCCN1C)c1ccccc1[N+](=O)[O-] ZINC000044562111 175206042 /nfs/dbraw/zinc/20/60/42/175206042.db2.gz PUMOSRNLICJBJO-CHWSQXEVSA-N 0 3 277.368 2.730 10 5 CFBEHN CC[N+](C)(C(=O)[O-])c1cccc([C@@H](C)N(C)C)c1 ZINC000044830275 281354294 /nfs/dbraw/zinc/35/42/94/281354294.db2.gz XPQWZGUNGYAQED-ZVDHGWRTSA-O 0 3 251.350 2.944 10 5 CFBEHN CC(C)[C@H](CN(C)C)Nc1ccc([N+](=O)[O-])cc1F ZINC000049219034 519814913 /nfs/dbraw/zinc/81/49/13/519814913.db2.gz SIXDIQPCZYXJAL-ZDUSSCGKSA-N 0 3 269.320 2.732 10 5 CFBEHN CCOCCOc1cc(CNC(C)C)ccc1[N+](=O)[O-] ZINC000050517152 520040215 /nfs/dbraw/zinc/04/02/15/520040215.db2.gz HWROJBFVSQPHNF-UHFFFAOYSA-N 0 3 282.340 2.508 10 5 CFBEHN CCNc1ccc(CN(C)[C@H]2CCSC2)cc1[N+](=O)[O-] ZINC000050813311 520299485 /nfs/dbraw/zinc/29/94/85/520299485.db2.gz QMEURIJYQNXSDI-LBPRGKRZSA-N 0 3 295.408 2.964 10 5 CFBEHN CNCc1ccc([N+](=O)[O-])c(OCCC(C)C)c1 ZINC000050516662 522124712 /nfs/dbraw/zinc/12/47/12/522124712.db2.gz WLXXNZFFTDYBCO-UHFFFAOYSA-N 0 3 252.314 2.739 10 5 CFBEHN CNCc1cnc(-c2cc([N+](=O)[O-])ccc2C)s1 ZINC000050441281 522146405 /nfs/dbraw/zinc/14/64/05/522146405.db2.gz WIUKWHLEQGDBQV-UHFFFAOYSA-N 0 3 263.322 2.746 10 5 CFBEHN CNc1ccc(CN(C)C[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000050815065 522607148 /nfs/dbraw/zinc/60/71/48/522607148.db2.gz PZCSFKQEZNDMCA-ZDUSSCGKSA-N 0 3 293.367 2.637 10 5 CFBEHN CO[C@@H]1CCC[C@@H]1NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050444046 523634094 /nfs/dbraw/zinc/63/40/94/523634094.db2.gz GKWZUNGOMJHUGA-WCQYABFASA-N 0 3 284.743 2.905 10 5 CFBEHN Cc1cc(C)c(Oc2ccnc(C(=N)N)c2)c([N+](=O)[O-])c1 ZINC000061814658 524311814 /nfs/dbraw/zinc/31/18/14/524311814.db2.gz IPBGVHIIOXVZQV-UHFFFAOYSA-N 0 3 286.291 2.683 10 5 CFBEHN C[C@H](CN1CCCC1)NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050443724 524317181 /nfs/dbraw/zinc/31/71/81/524317181.db2.gz PXBMVKFORSUWKY-LLVKDONJSA-N 0 3 297.786 2.822 10 5 CFBEHN C[C@H](CN1CCCC1)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000049150020 524319967 /nfs/dbraw/zinc/31/99/67/524319967.db2.gz UKBPARGUKZEKQA-CHWSQXEVSA-N 0 3 277.368 2.730 10 5 CFBEHN C[C@@H](CN1CCCC1)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000049150014 524595956 /nfs/dbraw/zinc/59/59/56/524595956.db2.gz UKBPARGUKZEKQA-STQMWFEESA-N 0 3 277.368 2.730 10 5 CFBEHN Cc1cc(NC(=O)[C@H](N)CC(C)C)c([N+](=O)[O-])cc1C ZINC000050439839 525229989 /nfs/dbraw/zinc/22/99/89/525229989.db2.gz AGBKSZPVPBLZRE-LLVKDONJSA-N 0 3 279.340 2.524 10 5 CFBEHN C[C@@H]1[C@@H](C)CCCN1Cc1cc([N+](=O)[O-])ccc1N ZINC000050814430 525639509 /nfs/dbraw/zinc/63/95/09/525639509.db2.gz BBLVSMFEYRNQKN-WDEREUQCSA-N 0 3 263.341 2.797 10 5 CFBEHN CSC[C@H](C)CNCc1cc(F)ccc1[N+](=O)[O-] ZINC000069443669 525681604 /nfs/dbraw/zinc/68/16/04/525681604.db2.gz SMDWSZUXJKELAG-SECBINFHSA-N 0 3 272.345 2.823 10 5 CFBEHN N=C(N)c1cc(Oc2ccc([N+](=O)[O-])c(Cl)c2)ccn1 ZINC000061814659 526822167 /nfs/dbraw/zinc/82/21/67/526822167.db2.gz NGFKJOAZEMBPHK-UHFFFAOYSA-N 0 3 292.682 2.720 10 5 CFBEHN CC[C@@H](COC)NCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000096811869 185115204 /nfs/dbraw/zinc/11/52/04/185115204.db2.gz QCWWADKTYUOHJQ-JTQLQIEISA-N 0 3 272.732 2.763 10 5 CFBEHN Cc1cc(NCC2CC(O)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000122210603 347815635 /nfs/dbraw/zinc/81/56/35/347815635.db2.gz ULZRVYIDMSUDLZ-UHFFFAOYSA-N 0 3 287.319 2.634 10 5 CFBEHN O=[N+]([O-])[C@]12Cc3ccccc3[C@@H]1CN(Cc1ccccc1)C2 ZINC000225904525 348180653 /nfs/dbraw/zinc/18/06/53/348180653.db2.gz YHOPNRSCFKLSMQ-ROUUACIJSA-N 0 3 294.354 2.858 10 5 CFBEHN Cc1ccc([C@@H](C)NCCn2cc([N+](=O)[O-])cn2)c(C)c1 ZINC000090537742 375019769 /nfs/dbraw/zinc/01/97/69/375019769.db2.gz SFWFKAKYAOUKEH-CYBMUJFWSA-N 0 3 288.351 2.759 10 5 CFBEHN O=[N+]([O-])c1ccc(Cl)c(CN2CCN3CCC[C@H]3C2)c1 ZINC000246751645 383100345 /nfs/dbraw/zinc/10/03/45/383100345.db2.gz SENDFOFZFVGNMS-ZDUSSCGKSA-N 0 3 295.770 2.528 10 5 CFBEHN CCN1CCC[C@H](N[C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000249614721 383353498 /nfs/dbraw/zinc/35/34/98/383353498.db2.gz RVAONPMLZDTITK-OCCSQVGLSA-N 0 3 277.368 2.730 10 5 CFBEHN CC([C@H](NC(=O)c1ccccc1)c1ccccc1)[N+](=O)[O-] ZINC000005372440 170090323 /nfs/dbraw/zinc/09/03/23/170090323.db2.gz ODMUXDXARITHSZ-DOMZBBRYSA-N 0 3 284.315 2.823 10 5 CFBEHN CCCCOc1ccc([N+](=O)[O-])cc1CNCC ZINC000035414680 172188289 /nfs/dbraw/zinc/18/82/89/172188289.db2.gz QHUIVBOFXRYKKY-UHFFFAOYSA-N 0 3 252.314 2.883 10 5 CFBEHN CC[C@H](C)NCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000037386456 173169867 /nfs/dbraw/zinc/16/98/67/173169867.db2.gz HJUIFDZDHQGFKX-QMMMGPOBSA-N 0 3 285.731 2.575 10 5 CFBEHN NCc1cc(F)ccc1Oc1ccccc1[N+](=O)[O-] ZINC000038080679 174090529 /nfs/dbraw/zinc/09/05/29/174090529.db2.gz GKGZGORCHAZNRQ-UHFFFAOYSA-N 0 3 262.240 2.985 10 5 CFBEHN CN[C@@H](Cc1ccsc1)c1ccc([N+](=O)[O-])o1 ZINC000038130923 174131578 /nfs/dbraw/zinc/13/15/78/174131578.db2.gz KYANCCAVNIJQAU-VIFPVBQESA-N 0 3 252.295 2.753 10 5 CFBEHN CCN1CCC[C@@H](N[C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000040502586 174299169 /nfs/dbraw/zinc/29/91/69/174299169.db2.gz ZSWVFMJHDOXKLH-QWHCGFSZSA-N 0 3 277.368 2.730 10 5 CFBEHN C[C@H](NC[C@H]1CCCCN1C)c1ccccc1[N+](=O)[O-] ZINC000044562110 175205451 /nfs/dbraw/zinc/20/54/51/175205451.db2.gz PUMOSRNLICJBJO-QWHCGFSZSA-N 0 3 277.368 2.730 10 5 CFBEHN CN1CCCC[C@@H]1CNc1cc(F)cc([N+](=O)[O-])c1 ZINC000044563311 175206589 /nfs/dbraw/zinc/20/65/89/175206589.db2.gz LVRUPJICEGAYLM-GFCCVEGCSA-N 0 3 267.304 2.630 10 5 CFBEHN CN1CCCC[C@H]1CNc1nc(Cl)ccc1[N+](=O)[O-] ZINC000044565915 175208406 /nfs/dbraw/zinc/20/84/06/175208406.db2.gz ONQJRSWPSJGOMV-VIFPVBQESA-N 0 3 284.747 2.539 10 5 CFBEHN CCNCc1cnc(-c2ccccc2[N+](=O)[O-])s1 ZINC000044732095 175240845 /nfs/dbraw/zinc/24/08/45/175240845.db2.gz DNPBYNACKWMKSP-UHFFFAOYSA-N 0 3 263.322 2.828 10 5 CFBEHN Cc1cc(NCc2ccc3c(c2)CNC3)ncc1[N+](=O)[O-] ZINC000097829699 533997794 /nfs/dbraw/zinc/99/77/94/533997794.db2.gz HVIBLTILJWVWEG-UHFFFAOYSA-N 0 3 284.319 2.514 10 5 CFBEHN CC(C)[C@H](CN(C)C)NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050443743 519814534 /nfs/dbraw/zinc/81/45/34/519814534.db2.gz IIJSZDKUDHVYGY-ZDUSSCGKSA-N 0 3 299.802 2.924 10 5 CFBEHN CCN1CCC[C@H](Nc2nc(Cl)ccc2[N+](=O)[O-])C1 ZINC000049231038 521649618 /nfs/dbraw/zinc/64/96/18/521649618.db2.gz YCZJOGGZKBFFJR-VIFPVBQESA-N 0 3 284.747 2.539 10 5 CFBEHN Cc1cnc(NCc2ccc3c(c2)CNC3)c([N+](=O)[O-])c1 ZINC000097829720 534586421 /nfs/dbraw/zinc/58/64/21/534586421.db2.gz JSLWOSMLEJVLSK-UHFFFAOYSA-N 0 3 284.319 2.514 10 5 CFBEHN CC[C@H](C)[C@H](N)C(=O)Nc1cc(C)c(C)cc1[N+](=O)[O-] ZINC000050439783 521956742 /nfs/dbraw/zinc/95/67/42/521956742.db2.gz UQCFLHYWOUAUGJ-SDBXPKJASA-N 0 3 279.340 2.524 10 5 CFBEHN CC[C@@H](C)N(CC)Cc1cc([N+](=O)[O-])ccc1N ZINC000050813083 522085338 /nfs/dbraw/zinc/08/53/38/522085338.db2.gz ZRFUPCNJECTWSR-SNVBAGLBSA-N 0 3 251.330 2.797 10 5 CFBEHN CNc1ccc([N+](=O)[O-])cc1CN1C[C@H]2CC[C@@H]1C2 ZINC000050816082 522647591 /nfs/dbraw/zinc/64/75/91/522647591.db2.gz GWXMXJCJKKFTMB-CMPLNLGQSA-N 0 3 261.325 2.621 10 5 CFBEHN CN(Cc1cc([N+](=O)[O-])ccc1N)C1CCCCC1 ZINC000050792749 523183514 /nfs/dbraw/zinc/18/35/14/523183514.db2.gz XATHCIFHHUGSRR-UHFFFAOYSA-N 0 3 263.341 2.942 10 5 CFBEHN C[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2N)[C@@H]1C ZINC000050814429 524232456 /nfs/dbraw/zinc/23/24/56/524232456.db2.gz BBLVSMFEYRNQKN-GHMZBOCLSA-N 0 3 263.341 2.797 10 5 CFBEHN C[C@H](CN1CCCC1)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000049150016 524319515 /nfs/dbraw/zinc/31/95/15/524319515.db2.gz UKBPARGUKZEKQA-OLZOCXBDSA-N 0 3 277.368 2.730 10 5 CFBEHN Cc1ccc(N[C@@H]2CCN(C3CC3)C2)cc1[N+](=O)[O-] ZINC000061701032 525314793 /nfs/dbraw/zinc/31/47/93/525314793.db2.gz RPOSOAMZQVNUKA-GFCCVEGCSA-N 0 3 261.325 2.552 10 5 CFBEHN CCC[C@H](NC1CC(CO)C1)c1cccc([N+](=O)[O-])c1 ZINC000595103330 349582302 /nfs/dbraw/zinc/58/23/02/349582302.db2.gz LLCSLZBSKYHIMS-HGMXIMQMSA-N 0 3 278.352 2.797 10 5 CFBEHN O=[N+]([O-])c1ccc(CNCC2(O)CCCC2)c(Cl)c1 ZINC000087028849 179382299 /nfs/dbraw/zinc/38/22/99/179382299.db2.gz GXBIWHWKPRWAQL-UHFFFAOYSA-N 0 3 284.743 2.643 10 5 CFBEHN C[C@H](NC[C@H]1CCC[C@H](O)C1)c1ccccc1[N+](=O)[O-] ZINC000300405815 348367786 /nfs/dbraw/zinc/36/77/86/348367786.db2.gz YQBTVVABSAMXAC-AVGNSLFASA-N 0 3 278.352 2.797 10 5 CFBEHN C[C@@H](NCC1(O)CCSCC1)c1ccccc1[N+](=O)[O-] ZINC000610420510 351564811 /nfs/dbraw/zinc/56/48/11/351564811.db2.gz DITDURRUCDICEK-LLVKDONJSA-N 0 3 296.392 2.504 10 5 CFBEHN CC([C@@H](c1ccccc1Cl)n1cccn1)[N+](=O)[O-] ZINC000238856877 540554791 /nfs/dbraw/zinc/55/47/91/540554791.db2.gz XNAQKGVMVCLALO-SKDRFNHKSA-N 0 3 265.700 2.791 10 5 CFBEHN O=[N+]([O-])c1ccc2c(c1)[C@H]1CN[C@@H](C2)c2ccccc21 ZINC000029560833 372383394 /nfs/dbraw/zinc/38/33/94/372383394.db2.gz JJOZJYKIIFFPAR-HOTGVXAUSA-N 0 3 266.300 2.927 10 5 CFBEHN CC[C@@H](NCCC(=O)OC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000181552354 380825414 /nfs/dbraw/zinc/82/54/14/380825414.db2.gz UELLPDZZALRASU-CQSZACIVSA-N 0 3 294.351 2.977 10 5 CFBEHN CCN1CC[C@H](N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000389259014 382612629 /nfs/dbraw/zinc/61/26/29/382612629.db2.gz CVCXDFNFUOGAIX-JSGCOSHPSA-N 0 3 277.368 2.648 10 5 CFBEHN COc1ccc([N+](=O)[O-])c(NCc2ccc3c(c2)CNC3)c1 ZINC000262462226 383622490 /nfs/dbraw/zinc/62/24/90/383622490.db2.gz IQPSCAKRZRPYDN-UHFFFAOYSA-N 0 3 299.330 2.819 10 5 CFBEHN CCNCc1cc([N+](=O)[O-])ccc1O[C@H](C)CC ZINC000035414691 172188214 /nfs/dbraw/zinc/18/82/14/172188214.db2.gz NWOJAPKRULVRCO-SNVBAGLBSA-N 0 3 252.314 2.882 10 5 CFBEHN CC[C@H](C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000037386482 173170314 /nfs/dbraw/zinc/17/03/14/173170314.db2.gz BKYKRYBAOOBKRP-QMMMGPOBSA-N 0 3 285.731 2.575 10 5 CFBEHN CN[C@H](Cc1cccs1)c1ccc([N+](=O)[O-])o1 ZINC000038132728 174132444 /nfs/dbraw/zinc/13/24/44/174132444.db2.gz HOEBKJFKFPQQHE-SECBINFHSA-N 0 3 252.295 2.753 10 5 CFBEHN CC(C)[C@@H](CN(C)C)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000049197421 519794020 /nfs/dbraw/zinc/79/40/20/519794020.db2.gz DUQNSNAPPRSLPY-GXTWGEPZSA-N 0 3 279.384 2.832 10 5 CFBEHN CCNCc1ccc([N+](=O)[O-])c(O[C@@H](C)CC)c1 ZINC000050516996 520001816 /nfs/dbraw/zinc/00/18/16/520001816.db2.gz YPNIUAIWMXNPKS-JTQLQIEISA-N 0 3 252.314 2.882 10 5 CFBEHN CCNCc1nccn1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000051004705 520023702 /nfs/dbraw/zinc/02/37/02/520023702.db2.gz IGMQPOSVNVITCC-UHFFFAOYSA-N 0 3 294.742 2.603 10 5 CFBEHN CCCNc1ccc(CN(C)[C@@H](C)COC)cc1[N+](=O)[O-] ZINC000050815221 520155666 /nfs/dbraw/zinc/15/56/66/520155666.db2.gz TYPNBVDKOZZYMZ-LBPRGKRZSA-N 0 3 295.383 2.883 10 5 CFBEHN CCCCOCCOc1cc(CNCC)ccc1[N+](=O)[O-] ZINC000050516923 520791983 /nfs/dbraw/zinc/79/19/83/520791983.db2.gz ANXKAHLZHQHOFH-UHFFFAOYSA-N 0 3 296.367 2.900 10 5 CFBEHN CC[C@H](C)CN(C)Cc1cc([N+](=O)[O-])ccc1N ZINC000050813215 523869769 /nfs/dbraw/zinc/86/97/69/523869769.db2.gz UJWSWRRPQSODBD-JTQLQIEISA-N 0 3 251.330 2.655 10 5 CFBEHN C[C@H]1C[C@H](C)CN(Cc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000050791964 524886112 /nfs/dbraw/zinc/88/61/12/524886112.db2.gz GGBCARRYMKNRCF-QWRGUYRKSA-N 0 3 263.341 2.655 10 5 CFBEHN C[C@@H]1C[C@@H](C)CN(Cc2cc([N+](=O)[O-])ccc2N)C1 ZINC000050791968 525210104 /nfs/dbraw/zinc/21/01/04/525210104.db2.gz WHVXUCPRDYKHFK-GHMZBOCLSA-N 0 3 263.341 2.655 10 5 CFBEHN Cc1cc(NC2CCN(C)CC2)c([N+](=O)[O-])cc1C ZINC000050439238 525264269 /nfs/dbraw/zinc/26/42/69/525264269.db2.gz UKFHTQCFNMPJPR-UHFFFAOYSA-N 0 3 263.341 2.718 10 5 CFBEHN NCc1ccc([N+](=O)[O-])c(OCc2cc(F)ccc2F)c1 ZINC000050516090 527257413 /nfs/dbraw/zinc/25/74/13/527257413.db2.gz HGPPSZNDQHFREB-UHFFFAOYSA-N 0 3 294.257 2.911 10 5 CFBEHN NCc1ccc([N+](=O)[O-])c(OCc2cccs2)c1 ZINC000050516400 527258747 /nfs/dbraw/zinc/25/87/47/527258747.db2.gz HUCFAEBXEUERIU-UHFFFAOYSA-N 0 3 264.306 2.694 10 5 CFBEHN C[C@H](N[C@@H]1CCC[C@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000037163505 346328061 /nfs/dbraw/zinc/32/80/61/346328061.db2.gz QQCOPMFDKCWOCL-SUHUHFCYSA-N 0 3 264.325 2.549 10 5 CFBEHN Cc1ccc([C@@H](C)NCCn2cc([N+](=O)[O-])cn2)cc1C ZINC000090538952 180000499 /nfs/dbraw/zinc/00/04/99/180000499.db2.gz BHKUTOYTVCBFDP-CYBMUJFWSA-N 0 3 288.351 2.759 10 5 CFBEHN CC[C@H](N[C@@H]1CCO[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000090918666 180063177 /nfs/dbraw/zinc/06/31/77/180063177.db2.gz QGCUYCGAJHSMGH-DDTOSNHZSA-N 0 3 264.325 2.813 10 5 CFBEHN C[C@H](NCc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000075782925 374504558 /nfs/dbraw/zinc/50/45/58/374504558.db2.gz VJRKHHORMNWHTR-TVQRCGJNSA-N 0 3 284.743 2.905 10 5 CFBEHN C[C@H](NCc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000093632673 375276906 /nfs/dbraw/zinc/27/69/06/375276906.db2.gz SVTDOYFOOVSLPZ-ZANVPECISA-N 0 3 284.743 2.905 10 5 CFBEHN NCc1ccc(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000261507625 190040182 /nfs/dbraw/zinc/04/01/82/190040182.db2.gz KJTYIUJSZMPOAO-UHFFFAOYSA-N 0 3 258.277 2.633 10 5 CFBEHN Cc1ccc(CN[C@@H]2CCCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000135610567 378149935 /nfs/dbraw/zinc/14/99/35/378149935.db2.gz BUQUAGDEBMTHTR-UKRRQHHQSA-N 0 3 278.352 2.686 10 5 CFBEHN CCC[C@H](C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)N(C)C ZINC000136768750 378208743 /nfs/dbraw/zinc/20/87/43/378208743.db2.gz DHKOYKBSCWCBRQ-BXUZGUMPSA-N 0 3 293.367 2.502 10 5 CFBEHN Cc1cc(NC[C@@H]2NCCc3ccccc32)ncc1[N+](=O)[O-] ZINC000262522298 383625992 /nfs/dbraw/zinc/62/59/92/383625992.db2.gz OFYZXWQRMZXXBM-AWEZNQCLSA-N 0 3 298.346 2.597 10 5 CFBEHN CCCNCc1cc([N+](=O)[O-])ccc1OCCC ZINC000035414739 172188209 /nfs/dbraw/zinc/18/82/09/172188209.db2.gz CTDQJBGVGUICAL-UHFFFAOYSA-N 0 3 252.314 2.883 10 5 CFBEHN O=[N+]([O-])c1cc(CNC2CCCC2)c(F)cc1F ZINC000037186931 173017663 /nfs/dbraw/zinc/01/76/63/173017663.db2.gz WRQKTHWNGBGSDD-UHFFFAOYSA-N 0 3 256.252 2.905 10 5 CFBEHN C[C@H](Cc1cccs1)NCc1ccc([N+](=O)[O-])o1 ZINC000037284830 173091577 /nfs/dbraw/zinc/09/15/77/173091577.db2.gz CHIDUWZPONAUIY-SECBINFHSA-N 0 3 266.322 2.970 10 5 CFBEHN CC[C@@H](C)NCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000037386455 173169889 /nfs/dbraw/zinc/16/98/89/173169889.db2.gz HJUIFDZDHQGFKX-MRVPVSSYSA-N 0 3 285.731 2.575 10 5 CFBEHN CN[C@H](Cc1ccsc1)c1ccc([N+](=O)[O-])o1 ZINC000038130924 174131899 /nfs/dbraw/zinc/13/18/99/174131899.db2.gz KYANCCAVNIJQAU-SECBINFHSA-N 0 3 252.295 2.753 10 5 CFBEHN CN1CCC[C@@H](Nc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000040673490 174371966 /nfs/dbraw/zinc/37/19/66/174371966.db2.gz QRSRFVUWKXDUMW-LLVKDONJSA-N 0 3 286.335 2.649 10 5 CFBEHN CC(C)C[C@H](CN(C)C)Nc1ccccc1[N+](=O)[O-] ZINC000044388910 175170690 /nfs/dbraw/zinc/17/06/90/175170690.db2.gz GFXWKOIVRMROMD-GFCCVEGCSA-N 0 3 265.357 2.983 10 5 CFBEHN C[C@@H](NC[C@@H]1CCCCN1C)c1ccccc1[N+](=O)[O-] ZINC000044562109 175206077 /nfs/dbraw/zinc/20/60/77/175206077.db2.gz PUMOSRNLICJBJO-OLZOCXBDSA-N 0 3 277.368 2.730 10 5 CFBEHN CC(C)(C)OC(=O)C(C)(C)[C@H](N)c1ccccc1[N+](=O)[O-] ZINC000536960345 330384111 /nfs/dbraw/zinc/38/41/11/330384111.db2.gz ZMBWOQPIOKKSGR-GFCCVEGCSA-N 0 3 294.351 2.963 10 5 CFBEHN CC(C)[C@H](C)N(C)Cc1cc([N+](=O)[O-])ccc1N ZINC000050814057 519811901 /nfs/dbraw/zinc/81/19/01/519811901.db2.gz SXXHQIWPUAZZRG-JTQLQIEISA-N 0 3 251.330 2.653 10 5 CFBEHN CC(C)[C@H](CN(C)C)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000049218752 519814934 /nfs/dbraw/zinc/81/49/34/519814934.db2.gz HTBSMKYAWABNGC-LBPRGKRZSA-N 0 3 296.327 2.501 10 5 CFBEHN CCNc1ccc(CN(C)C2CCOCC2)cc1[N+](=O)[O-] ZINC000050814147 520298577 /nfs/dbraw/zinc/29/85/77/520298577.db2.gz VLFPPFALWWMQFF-UHFFFAOYSA-N 0 3 293.367 2.637 10 5 CFBEHN CCNc1ccc([N+](=O)[O-])cc1CN(C)C1CCOCC1 ZINC000050814149 520328459 /nfs/dbraw/zinc/32/84/59/520328459.db2.gz YRWGUJRVIKKNJC-UHFFFAOYSA-N 0 3 293.367 2.637 10 5 CFBEHN CCCC[C@@H](N)C(=O)Nc1cc(C)c(C)cc1[N+](=O)[O-] ZINC000050439892 521074355 /nfs/dbraw/zinc/07/43/55/521074355.db2.gz YDARXGCSDODDNQ-LLVKDONJSA-N 0 3 279.340 2.668 10 5 CFBEHN CN1CCCC[C@H]1CNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050443962 523799761 /nfs/dbraw/zinc/79/97/61/523799761.db2.gz FKXYEHUJJIYJNK-ZDUSSCGKSA-N 0 3 297.786 2.822 10 5 CFBEHN C[C@H]1CN(CCCOc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000171688116 524593155 /nfs/dbraw/zinc/59/31/55/524593155.db2.gz BOVNFEIUAONIJK-LBPRGKRZSA-N 0 3 296.392 2.801 10 5 CFBEHN N=C(N)c1cc(Oc2cc(Cl)ccc2[N+](=O)[O-])ccn1 ZINC000061814662 526820552 /nfs/dbraw/zinc/82/05/52/526820552.db2.gz MLFFSSHCRIDGJC-UHFFFAOYSA-N 0 3 292.682 2.720 10 5 CFBEHN Cc1cc([N+](=O)[O-])cnc1NCc1ccc2c(c1)CNC2 ZINC000097829761 232181601 /nfs/dbraw/zinc/18/16/01/232181601.db2.gz PBWZRXSVEKZAJJ-UHFFFAOYSA-N 0 3 284.319 2.514 10 5 CFBEHN O=[N+]([O-])c1ccc([C@@H]2CCN(Cc3ccccc3)C2)nc1 ZINC000088259792 347500812 /nfs/dbraw/zinc/50/08/12/347500812.db2.gz NXBCMJNQBALDET-CQSZACIVSA-N 0 3 283.331 2.979 10 5 CFBEHN O=[N+]([O-])[C@@H]1CN(Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000088346239 347501979 /nfs/dbraw/zinc/50/19/79/347501979.db2.gz BVUNFAAOQWGVQX-IAGOWNOFSA-N 0 3 282.343 2.931 10 5 CFBEHN CC[C@H](NC(=O)CN(CC)CC)c1cccc([N+](=O)[O-])c1 ZINC000177788734 189069676 /nfs/dbraw/zinc/06/96/76/189069676.db2.gz KKKDXYNQTDESDU-AWEZNQCLSA-N 0 3 293.367 2.504 10 5 CFBEHN CCN1CCC[C@H]1CN(C)c1cccc(F)c1[N+](=O)[O-] ZINC000092665174 375136968 /nfs/dbraw/zinc/13/69/68/375136968.db2.gz QXCOXOFDQKXBGL-NSHDSACASA-N 0 3 281.331 2.654 10 5 CFBEHN N[C@@H](CC(F)F)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000575437939 382771111 /nfs/dbraw/zinc/77/11/11/382771111.db2.gz ZLBHIRCIAIXDJR-ZETCQYMHSA-N 0 3 250.632 2.903 10 5 CFBEHN Cc1cnc(NC[C@@H]2NCCc3ccccc32)c([N+](=O)[O-])c1 ZINC000262510214 383624536 /nfs/dbraw/zinc/62/45/36/383624536.db2.gz MWFCOQFPGXKTAE-AWEZNQCLSA-N 0 3 298.346 2.597 10 5 CFBEHN CN(C)CCNC(=O)c1cccc2nc3ccccc3cc21 ZINC000005957840 170162818 /nfs/dbraw/zinc/16/28/18/170162818.db2.gz HASYMRDFVCNFGG-UHFFFAOYSA-N 0 3 293.370 2.679 10 5 CFBEHN CC(C)NCc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000035414776 172189317 /nfs/dbraw/zinc/18/93/17/172189317.db2.gz BSGSAHUFCZXTRX-UHFFFAOYSA-N 0 3 252.314 2.880 10 5 CFBEHN CCN1CCC[C@@H]1CNc1nc(Cl)ccc1[N+](=O)[O-] ZINC000037331830 173133789 /nfs/dbraw/zinc/13/37/89/173133789.db2.gz YJQZOXXICOQDQI-SECBINFHSA-N 0 3 284.747 2.539 10 5 CFBEHN CCCN1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000037403677 173180294 /nfs/dbraw/zinc/18/02/94/173180294.db2.gz VTXZUFCRIJPFLQ-UHFFFAOYSA-N 0 3 297.786 2.776 10 5 CFBEHN Cc1cc(NC[C@H]2CCCCN2C)ccc1[N+](=O)[O-] ZINC000044563170 175206922 /nfs/dbraw/zinc/20/69/22/175206922.db2.gz DUXOMPKNOURNIC-CYBMUJFWSA-N 0 3 263.341 2.799 10 5 CFBEHN O=[N+]([O-])c1ccc(N2CCN3CCC[C@@H]3C2)c(Cl)c1 ZINC000024659782 275036662 /nfs/dbraw/zinc/03/66/62/275036662.db2.gz FTPAXXMEUCNTSX-LLVKDONJSA-N 0 3 281.743 2.533 10 5 CFBEHN